REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2r7z_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKCQTCQ EGMNECPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE KYMP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.091 176.094 -0.005 0.000 1.182 2 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 2 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 3 G N 2.972 111.767 108.800 -0.008 0.000 2.611 3 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.208 3 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.208 3 G C 0.198 175.094 174.900 -0.007 0.000 1.201 3 G CA 1.138 46.235 45.100 -0.006 0.000 0.739 3 G HN 2.029 nan 8.290 nan 0.000 0.528 4 Q N -1.023 118.776 119.800 -0.001 0.000 1.227 4 Q HA 0.101 4.441 4.340 -0.000 0.000 0.106 4 Q C -0.415 175.595 176.000 0.018 0.000 1.170 4 Q CA 0.311 56.115 55.803 0.001 0.000 0.295 4 Q CB -0.932 27.797 28.738 -0.014 0.000 5.268 4 Q HN 1.428 nan 8.270 nan 0.000 0.305 5 Q N -0.354 119.466 119.800 0.032 0.000 3.062 5 Q HA -0.186 4.154 4.340 -0.000 0.000 0.085 5 Q C -1.518 174.542 176.000 0.099 0.000 1.615 5 Q CA 0.514 56.348 55.803 0.052 0.000 0.328 5 Q CB -0.469 28.282 28.738 0.021 0.000 0.592 5 Q HN 0.533 nan 8.270 nan 0.000 0.321 6 Y N 2.517 122.810 120.300 -0.012 0.000 2.425 6 Y HA 0.354 4.904 4.550 -0.000 0.000 0.331 6 Y C -0.169 175.728 175.900 -0.005 0.000 1.157 6 Y CA 0.308 58.403 58.100 -0.009 0.000 1.372 6 Y CB 1.204 39.660 38.460 -0.007 0.000 1.253 6 Y HN 0.397 nan 8.280 nan 0.000 0.536 7 S N 3.739 119.209 115.700 -0.384 0.000 2.552 7 S HA 0.305 4.775 4.470 -0.000 0.000 0.314 7 S C 0.481 174.700 174.600 -0.636 0.000 1.099 7 S CA -0.189 57.719 58.200 -0.487 0.000 1.070 7 S CB 0.541 63.645 63.200 -0.161 0.000 0.998 7 S HN 0.856 nan 8.310 nan 0.000 0.474 8 S N 3.724 119.032 115.700 -0.653 0.000 2.595 8 S HA 0.176 4.646 4.470 -0.000 0.000 0.235 8 S C 0.926 175.457 174.600 -0.115 0.000 0.974 8 S CA 0.173 58.172 58.200 -0.336 0.000 0.942 8 S CB -0.594 62.472 63.200 -0.223 0.000 0.766 8 S HN 1.089 nan 8.310 nan 0.000 0.536 9 A N 3.448 126.202 122.820 -0.110 0.000 2.407 9 A HA 0.549 4.869 4.320 -0.000 0.000 0.248 9 A C -1.340 176.241 177.584 -0.004 0.000 1.082 9 A CA -1.406 50.604 52.037 -0.044 0.000 0.785 9 A CB -0.203 18.772 19.000 -0.042 0.000 1.020 9 A HN 0.432 nan 8.150 nan 0.000 0.489 10 P HA 0.338 nan 4.420 nan 0.000 0.274 10 P C -1.073 176.239 177.300 0.019 0.000 1.256 10 P CA -0.287 62.826 63.100 0.022 0.000 0.795 10 P CB 0.693 32.402 31.700 0.014 0.000 1.038 11 L N 1.266 122.504 121.223 0.024 0.000 2.342 11 L HA 0.488 4.828 4.340 -0.000 0.000 0.276 11 L C -0.319 176.557 176.870 0.010 0.000 0.997 11 L CA -0.315 54.536 54.840 0.018 0.000 0.838 11 L CB 0.849 42.925 42.059 0.028 0.000 1.224 11 L HN 0.331 nan 8.230 nan 0.000 0.416 12 R N 1.699 122.200 120.500 0.002 0.000 2.912 12 R HA 0.763 5.103 4.340 -0.000 0.000 0.262 12 R C -0.705 175.590 176.300 -0.008 0.000 1.057 12 R CA -0.606 55.493 56.100 -0.003 0.000 0.981 12 R CB 2.034 32.331 30.300 -0.005 0.000 1.201 12 R HN 0.688 nan 8.270 nan 0.000 0.484 13 T N -1.912 112.635 114.554 -0.012 0.000 2.867 13 T HA 0.366 4.715 4.350 -0.000 0.000 0.282 13 T C 0.341 175.027 174.700 -0.024 0.000 1.000 13 T CA -0.756 61.333 62.100 -0.017 0.000 1.042 13 T CB 1.409 70.267 68.868 -0.017 0.000 0.973 13 T HN 0.142 nan 8.240 nan 0.000 0.465 14 V N 3.633 123.530 119.914 -0.030 0.000 2.763 14 V HA 0.147 4.267 4.120 -0.000 0.000 0.306 14 V C 1.164 177.233 176.094 -0.043 0.000 1.059 14 V CA 0.207 62.482 62.300 -0.041 0.000 1.138 14 V CB 0.641 32.436 31.823 -0.046 0.000 0.940 14 V HN 0.963 nan 8.190 nan 0.000 0.489 15 K N 2.481 122.850 120.400 -0.050 0.000 2.511 15 K HA 0.342 4.662 4.320 -0.000 0.000 0.209 15 K C 0.079 176.641 176.600 -0.064 0.000 1.301 15 K CA 0.091 56.349 56.287 -0.048 0.000 0.967 15 K CB 1.345 33.823 32.500 -0.036 0.000 1.109 15 K HN 0.708 nan 8.250 nan 0.000 0.561 16 E N 0.990 121.138 120.200 -0.086 0.000 2.356 16 E HA 0.359 4.709 4.350 -0.000 0.000 0.275 16 E C -1.369 175.119 176.600 -0.186 0.000 0.904 16 E CA -0.768 55.559 56.400 -0.122 0.000 0.757 16 E CB 3.198 32.836 29.700 -0.104 0.000 1.232 16 E HN -0.244 nan 8.360 nan 0.000 0.442 17 V N 2.343 122.087 119.914 -0.284 0.000 2.380 17 V HA 0.225 4.345 4.120 -0.000 0.000 0.286 17 V C -0.546 175.159 176.094 -0.648 0.000 1.015 17 V CA -0.883 61.138 62.300 -0.466 0.000 0.834 17 V CB 1.363 32.839 31.823 -0.578 0.000 1.009 17 V HN 0.542 nan 8.190 nan 0.000 0.428 18 Q N 3.950 123.433 119.800 -0.528 0.000 2.360 18 Q HA 0.504 4.843 4.340 -0.000 0.000 0.254 18 Q C -0.947 174.775 176.000 -0.464 0.000 0.975 18 Q CA -0.141 55.373 55.803 -0.482 0.000 0.912 18 Q CB 1.279 29.714 28.738 -0.504 0.000 1.212 18 Q HN 0.662 nan 8.270 nan 0.000 0.452 19 F N 0.968 120.820 119.950 -0.163 0.000 2.404 19 F HA 0.616 5.143 4.527 -0.000 0.000 0.345 19 F C 1.195 176.909 175.800 -0.144 0.000 1.110 19 F CA -0.423 57.491 58.000 -0.144 0.000 1.130 19 F CB 1.625 40.590 39.000 -0.057 0.000 1.129 19 F HN 0.508 nan 8.300 nan 0.000 0.500 20 G N 3.010 111.819 108.800 0.016 0.000 2.921 20 G HA2 0.769 4.729 3.960 -0.000 0.000 0.291 20 G HA3 0.769 4.729 3.960 -0.000 0.000 0.291 20 G C -1.762 173.075 174.900 -0.105 0.000 1.370 20 G CA -0.868 44.199 45.100 -0.055 0.000 0.847 20 G HN 0.480 nan 8.290 nan 0.000 0.532 21 L N -0.537 120.585 121.223 -0.169 0.000 2.354 21 L HA 0.535 4.875 4.340 -0.000 0.000 0.264 21 L C -1.033 175.548 176.870 -0.481 0.000 1.008 21 L CA -0.784 53.958 54.840 -0.164 0.000 0.819 21 L CB 2.587 44.695 42.059 0.081 0.000 1.339 21 L HN 0.413 nan 8.230 nan 0.000 0.420 22 F N 0.650 120.383 119.950 -0.362 0.000 2.427 22 F HA 0.155 4.682 4.527 -0.000 0.000 0.352 22 F C 0.763 176.096 175.800 -0.777 0.000 1.100 22 F CA -0.229 57.484 58.000 -0.477 0.000 1.191 22 F CB 1.489 40.329 39.000 -0.267 0.000 1.128 22 F HN 0.419 nan 8.300 nan 0.000 0.533 23 S N 5.792 121.070 115.700 -0.703 0.000 2.448 23 S HA 0.153 4.623 4.470 -0.000 0.000 0.279 23 S C -1.608 173.022 174.600 0.048 0.000 1.195 23 S CA -1.319 56.532 58.200 -0.581 0.000 1.051 23 S CB 0.954 64.026 63.200 -0.214 0.000 0.948 23 S HN 0.483 nan 8.310 nan 0.000 0.493 24 P HA -0.252 nan 4.420 nan 0.000 0.219 24 P C 0.804 178.184 177.300 0.133 0.000 1.151 24 P CA 1.553 64.752 63.100 0.165 0.000 0.850 24 P CB 0.207 32.032 31.700 0.207 0.000 0.784 25 E N -0.033 120.266 120.200 0.165 0.000 2.072 25 E HA -0.171 4.178 4.350 -0.000 0.000 0.191 25 E C 2.270 178.919 176.600 0.082 0.000 0.985 25 E CA 1.244 57.718 56.400 0.124 0.000 0.801 25 E CB -0.640 29.150 29.700 0.150 0.000 0.750 25 E HN 0.460 nan 8.360 nan 0.000 0.452 26 E N 0.334 120.590 120.200 0.094 0.000 2.031 26 E HA -0.176 4.173 4.350 -0.000 0.000 0.193 26 E C 1.989 178.608 176.600 0.033 0.000 0.994 26 E CA 1.398 57.857 56.400 0.099 0.000 0.800 26 E CB 0.040 29.843 29.700 0.172 0.000 0.752 26 E HN 0.050 nan 8.360 nan 0.000 0.447 27 V N 1.479 121.364 119.914 -0.048 0.000 2.313 27 V HA -0.358 3.762 4.120 -0.000 0.000 0.253 27 V C 2.473 178.476 176.094 -0.152 0.000 1.070 27 V CA 2.373 64.503 62.300 -0.284 0.000 1.057 27 V CB -0.688 30.981 31.823 -0.256 0.000 0.653 27 V HN 0.292 nan 8.190 nan 0.000 0.450 28 R N -0.207 120.243 120.500 -0.083 0.000 2.078 28 R HA -0.082 4.258 4.340 -0.000 0.000 0.224 28 R C 2.563 178.759 176.300 -0.175 0.000 1.149 28 R CA 1.413 57.401 56.100 -0.187 0.000 0.916 28 R CB -0.978 29.282 30.300 -0.066 0.000 0.821 28 R HN 0.482 nan 8.270 nan 0.000 0.434 29 A N 1.747 124.524 122.820 -0.072 0.000 1.916 29 A HA -0.294 4.026 4.320 -0.000 0.000 0.224 29 A C 2.217 179.772 177.584 -0.047 0.000 1.366 29 A CA 2.282 54.296 52.037 -0.039 0.000 0.692 29 A CB -1.129 17.874 19.000 0.005 0.000 0.841 29 A HN 0.340 nan 8.150 nan 0.000 0.480 30 I N -0.601 119.945 120.570 -0.040 0.000 2.127 30 I HA -0.172 3.998 4.170 -0.000 0.000 0.241 30 I C 1.767 177.873 176.117 -0.018 0.000 1.075 30 I CA 0.981 62.269 61.300 -0.019 0.000 1.334 30 I CB -0.650 37.333 38.000 -0.029 0.000 1.040 30 I HN 0.415 nan 8.210 nan 0.000 0.405 31 S N 0.181 115.839 115.700 -0.069 0.000 2.550 31 S HA -0.013 4.457 4.470 -0.000 0.000 0.285 31 S C 0.756 175.334 174.600 -0.038 0.000 1.326 31 S CA 0.371 58.544 58.200 -0.044 0.000 1.037 31 S CB 0.919 64.010 63.200 -0.181 0.000 0.838 31 S HN 0.270 nan 8.310 nan 0.000 0.519 32 V N 0.920 120.848 119.914 0.022 0.000 3.398 32 V HA 0.752 4.872 4.120 -0.000 0.000 0.298 32 V C 0.117 176.228 176.094 0.029 0.000 1.496 32 V CA 0.311 62.617 62.300 0.010 0.000 1.044 32 V CB -0.246 31.581 31.823 0.007 0.000 0.880 32 V HN 0.951 nan 8.190 nan 0.000 0.443 33 A N 0.522 123.387 122.820 0.074 0.000 2.359 33 A HA 0.817 5.137 4.320 -0.000 0.000 0.303 33 A C 0.414 178.133 177.584 0.226 0.000 1.066 33 A CA -0.535 51.567 52.037 0.108 0.000 0.730 33 A CB 1.860 20.909 19.000 0.082 0.000 1.211 33 A HN 0.075 nan 8.150 nan 0.000 0.439 34 K N 1.401 121.918 120.400 0.195 0.000 2.148 34 K HA 0.106 4.426 4.320 -0.000 0.000 0.204 34 K C 0.382 177.047 176.600 0.108 0.000 1.050 34 K CA 0.862 57.292 56.287 0.239 0.000 0.942 34 K CB -0.601 32.000 32.500 0.168 0.000 0.724 34 K HN 0.818 nan 8.250 nan 0.000 0.446 35 I N 1.238 121.872 120.570 0.108 0.000 7.277 35 I HA -0.392 3.777 4.170 -0.000 0.000 0.126 35 I C 0.604 176.769 176.117 0.079 0.000 1.720 35 I CA 0.248 61.596 61.300 0.079 0.000 2.268 35 I CB -0.801 37.216 38.000 0.028 0.000 3.404 35 I HN 0.216 nan 8.210 nan 0.000 0.234 36 R N 1.677 122.297 120.500 0.201 0.000 2.175 36 R HA 0.237 4.577 4.340 -0.000 0.000 0.202 36 R C 0.421 176.771 176.300 0.084 0.000 1.018 36 R CA 0.534 56.702 56.100 0.113 0.000 1.029 36 R CB 0.214 30.551 30.300 0.060 0.000 0.959 36 R HN 0.236 nan 8.270 nan 0.000 0.480 37 F N 1.541 121.476 119.950 -0.024 0.000 2.370 37 F HA 0.243 4.770 4.527 -0.000 0.000 0.324 37 F C -1.230 174.555 175.800 -0.025 0.000 1.116 37 F CA -2.762 55.225 58.000 -0.022 0.000 1.123 37 F CB 0.388 39.379 39.000 -0.016 0.000 1.238 37 F HN -0.154 nan 8.300 nan 0.000 0.536 38 P HA 0.058 nan 4.420 nan 0.000 0.244 38 P C -0.389 176.952 177.300 0.067 0.000 1.191 38 P CA 0.482 63.623 63.100 0.069 0.000 0.829 38 P CB 0.523 32.235 31.700 0.020 0.000 1.008 39 E N -0.224 120.035 120.200 0.098 0.000 2.397 39 E HA 0.154 4.504 4.350 -0.000 0.000 0.254 39 E C 0.779 177.408 176.600 0.048 0.000 1.231 39 E CA -0.043 56.397 56.400 0.067 0.000 0.954 39 E CB 0.257 30.003 29.700 0.076 0.000 1.024 39 E HN -0.095 nan 8.360 nan 0.000 0.481 40 T N 0.009 114.584 114.554 0.034 0.000 3.065 40 T HA 0.042 4.392 4.350 -0.000 0.000 0.234 40 T C 1.256 175.943 174.700 -0.021 0.000 1.017 40 T CA 0.854 62.963 62.100 0.015 0.000 1.292 40 T CB 0.026 68.910 68.868 0.027 0.000 1.005 40 T HN 0.370 nan 8.240 nan 0.000 0.423 41 M N -0.104 119.485 119.600 -0.018 0.000 2.338 41 M HA 0.360 4.840 4.480 -0.000 0.000 0.212 41 M C -0.944 175.336 176.300 -0.033 0.000 1.596 41 M CA -0.619 54.657 55.300 -0.038 0.000 1.870 41 M CB 0.088 32.669 32.600 -0.031 0.000 1.124 41 M HN -0.121 nan 8.290 nan 0.000 0.901 42 D N 3.312 123.698 120.400 -0.022 0.000 4.055 42 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 42 D C -0.634 175.655 176.300 -0.018 0.000 1.089 42 D CA 0.786 54.777 54.000 -0.014 0.000 1.033 42 D CB -0.290 40.510 40.800 -0.000 0.000 0.876 42 D HN 0.520 nan 8.370 nan 0.000 0.468 43 E N 0.659 120.843 120.200 -0.026 0.000 2.441 43 E HA 0.048 4.398 4.350 -0.000 0.000 0.210 43 E C 0.222 176.818 176.600 -0.008 0.000 1.306 43 E CA 0.025 56.409 56.400 -0.028 0.000 1.307 43 E CB -0.005 29.674 29.700 -0.035 0.000 1.297 43 E HN 0.399 nan 8.360 nan 0.000 0.440 44 T N -0.065 114.489 114.554 0.001 0.000 5.081 44 T HA -0.140 4.210 4.350 -0.000 0.000 0.286 44 T C 0.445 175.148 174.700 0.005 0.000 1.725 44 T CA 0.399 62.504 62.100 0.008 0.000 3.094 44 T CB -1.435 67.438 68.868 0.009 0.000 1.382 44 T HN 0.518 nan 8.240 nan 0.000 1.078 45 Q N -2.007 117.795 119.800 0.004 0.000 3.689 45 Q HA -0.131 4.209 4.340 -0.000 0.000 0.191 45 Q C -0.001 175.998 176.000 -0.001 0.000 0.765 45 Q CA 1.310 57.115 55.803 0.004 0.000 1.068 45 Q CB -1.628 27.114 28.738 0.006 0.000 0.826 45 Q HN 0.626 nan 8.270 nan 0.000 1.104 46 T N 2.775 117.326 114.554 -0.005 0.000 2.817 46 T HA 0.173 4.523 4.350 -0.000 0.000 0.295 46 T C 0.154 174.846 174.700 -0.013 0.000 0.958 46 T CA 0.170 62.264 62.100 -0.008 0.000 1.157 46 T CB 0.291 69.152 68.868 -0.011 0.000 0.898 46 T HN 0.089 nan 8.240 nan 0.000 0.536 47 R N 2.357 122.850 120.500 -0.012 0.000 2.316 47 R HA 0.539 4.879 4.340 -0.000 0.000 0.314 47 R C 0.460 176.747 176.300 -0.023 0.000 1.069 47 R CA -0.190 55.901 56.100 -0.016 0.000 0.959 47 R CB 0.532 30.824 30.300 -0.013 0.000 0.987 47 R HN 0.810 nan 8.270 nan 0.000 0.446 48 A N 2.997 125.800 122.820 -0.030 0.000 4.246 48 A HA 0.358 4.678 4.320 -0.000 0.000 0.085 48 A C -1.420 176.137 177.584 -0.044 0.000 1.338 48 A CA -0.720 51.295 52.037 -0.036 0.000 2.088 48 A CB 0.879 19.855 19.000 -0.039 0.000 2.420 48 A HN 0.493 nan 8.150 nan 0.000 1.073 49 K N 0.318 120.683 120.400 -0.059 0.000 2.571 49 K HA 0.540 4.860 4.320 -0.000 0.000 0.252 49 K C -1.509 175.023 176.600 -0.113 0.000 0.956 49 K CA -0.331 55.912 56.287 -0.074 0.000 0.822 49 K CB 2.000 34.462 32.500 -0.064 0.000 1.286 49 K HN 0.543 nan 8.250 nan 0.000 0.439 50 I N 1.045 121.521 120.570 -0.157 0.000 2.638 50 I HA 0.049 4.219 4.170 -0.000 0.000 0.286 50 I C 1.543 177.461 176.117 -0.332 0.000 1.088 50 I CA 0.067 61.201 61.300 -0.277 0.000 1.397 50 I CB 0.862 38.627 38.000 -0.392 0.000 1.414 50 I HN 0.884 nan 8.210 nan 0.000 0.566 51 G N 4.007 112.577 108.800 -0.384 0.000 3.327 51 G HA2 0.133 4.093 3.960 -0.000 0.000 0.218 51 G HA3 0.133 4.093 3.960 -0.000 0.000 0.218 51 G C 0.789 175.453 174.900 -0.393 0.000 1.261 51 G CA 0.446 45.372 45.100 -0.289 0.000 1.438 51 G HN 0.950 nan 8.290 nan 0.000 0.530 52 G N -0.304 108.219 108.800 -0.462 0.000 2.534 52 G HA2 0.409 4.369 3.960 -0.000 0.000 0.224 52 G HA3 0.409 4.369 3.960 -0.000 0.000 0.224 52 G C 0.393 175.293 174.900 0.000 0.000 1.822 52 G CA -0.260 44.701 45.100 -0.233 0.000 0.805 52 G HN 0.382 nan 8.290 nan 0.000 0.649 53 L N 0.526 121.742 121.223 -0.011 0.000 2.397 53 L HA 0.362 4.701 4.340 -0.000 0.000 0.266 53 L C -0.209 176.648 176.870 -0.022 0.000 1.040 53 L CA -0.734 54.109 54.840 0.006 0.000 0.800 53 L CB 1.053 43.127 42.059 0.024 0.000 1.324 53 L HN 0.684 nan 8.230 nan 0.000 0.469 54 N N 0.949 119.637 118.700 -0.019 0.000 1.545 54 N HA -0.250 4.490 4.740 -0.000 0.000 0.377 54 N C -0.336 175.152 175.510 -0.036 0.000 1.173 54 N CA 1.198 54.230 53.050 -0.030 0.000 0.786 54 N CB -0.493 37.974 38.487 -0.032 0.000 0.999 54 N HN 0.757 nan 8.380 nan 0.000 0.543 55 D N -0.595 119.787 120.400 -0.030 0.000 3.092 55 D HA -0.081 4.559 4.640 -0.000 0.000 0.214 55 D C -2.145 174.131 176.300 -0.040 0.000 1.081 55 D CA 0.431 54.413 54.000 -0.030 0.000 0.874 55 D CB -1.138 39.641 40.800 -0.035 0.000 1.085 55 D HN 0.584 nan 8.370 nan 0.000 0.441 56 P HA 0.211 nan 4.420 nan 0.000 0.256 56 P C 0.302 177.586 177.300 -0.025 0.000 1.335 56 P CA 0.601 63.675 63.100 -0.043 0.000 0.808 56 P CB 0.259 31.946 31.700 -0.022 0.000 1.305 57 R N -4.679 115.806 120.500 -0.025 0.000 2.171 57 R HA 0.006 4.346 4.340 -0.000 0.000 0.178 57 R C 0.555 176.843 176.300 -0.021 0.000 0.499 57 R CA -0.117 55.964 56.100 -0.032 0.000 1.539 57 R CB -1.111 29.169 30.300 -0.033 0.000 1.146 57 R HN 0.099 nan 8.270 nan 0.000 0.517 58 L N 0.572 121.801 121.223 0.011 0.000 2.294 58 L HA 0.123 4.462 4.340 -0.000 0.000 0.203 58 L C 1.923 178.837 176.870 0.073 0.000 1.150 58 L CA 0.844 55.718 54.840 0.057 0.000 0.847 58 L CB -0.364 41.706 42.059 0.017 0.000 1.231 58 L HN 0.227 nan 8.230 nan 0.000 0.568 59 G N -0.581 108.280 108.800 0.103 0.000 2.268 59 G HA2 0.243 4.203 3.960 -0.000 0.000 0.330 59 G HA3 0.243 4.203 3.960 -0.000 0.000 0.330 59 G C -0.054 174.863 174.900 0.029 0.000 1.413 59 G CA 0.471 45.628 45.100 0.094 0.000 1.094 59 G HN 0.807 nan 8.290 nan 0.000 0.581 60 S N -2.561 113.145 115.700 0.010 0.000 2.752 60 S HA 0.708 5.178 4.470 -0.000 0.000 0.284 60 S C -0.237 174.351 174.600 -0.020 0.000 1.189 60 S CA -0.697 57.498 58.200 -0.009 0.000 0.835 60 S CB 1.236 64.431 63.200 -0.007 0.000 1.192 60 S HN 0.522 nan 8.310 nan 0.000 0.506 61 I N -0.735 119.820 120.570 -0.026 0.000 4.643 61 I HA 0.422 4.592 4.170 -0.000 0.000 0.173 61 I C -0.323 175.777 176.117 -0.028 0.000 0.757 61 I CA -0.952 60.329 61.300 -0.033 0.000 1.922 61 I CB -0.010 37.965 38.000 -0.042 0.000 1.159 61 I HN 0.683 nan 8.210 nan 0.000 0.379 62 D N 2.701 123.082 120.400 -0.032 0.000 2.924 62 D HA -0.205 4.435 4.640 -0.000 0.000 0.212 62 D C -0.136 176.152 176.300 -0.020 0.000 1.221 62 D CA 0.790 54.775 54.000 -0.026 0.000 0.596 62 D CB -0.482 40.303 40.800 -0.025 0.000 1.012 62 D HN 0.370 nan 8.370 nan 0.000 0.398 63 R N -0.339 120.149 120.500 -0.019 0.000 3.034 63 R HA -0.216 4.124 4.340 -0.000 0.000 0.237 63 R C -0.503 175.789 176.300 -0.013 0.000 0.861 63 R CA 0.513 56.604 56.100 -0.015 0.000 0.588 63 R CB -1.269 29.024 30.300 -0.013 0.000 1.035 63 R HN 0.257 nan 8.270 nan 0.000 0.488 64 N N 0.704 119.396 118.700 -0.013 0.000 2.399 64 N HA 0.199 4.939 4.740 -0.000 0.000 0.284 64 N C 1.339 176.843 175.510 -0.010 0.000 1.025 64 N CA -0.607 52.435 53.050 -0.012 0.000 0.885 64 N CB 1.387 39.865 38.487 -0.015 0.000 1.339 64 N HN 0.001 nan 8.380 nan 0.000 0.487 65 L N 1.373 122.590 121.223 -0.009 0.000 1.987 65 L HA -0.251 4.089 4.340 -0.000 0.000 0.230 65 L C 0.780 177.645 176.870 -0.008 0.000 1.089 65 L CA 1.600 56.435 54.840 -0.007 0.000 0.802 65 L CB -0.504 41.550 42.059 -0.009 0.000 0.905 65 L HN 0.476 nan 8.230 nan 0.000 0.441 66 K N -0.733 119.658 120.400 -0.014 0.000 2.538 66 K HA -0.233 4.087 4.320 -0.000 0.000 0.264 66 K C -0.066 176.523 176.600 -0.019 0.000 1.010 66 K CA 0.752 57.027 56.287 -0.020 0.000 1.107 66 K CB -0.002 32.484 32.500 -0.023 0.000 0.780 66 K HN 0.477 nan 8.250 nan 0.000 0.466 67 C N 2.877 122.157 119.300 -0.033 0.000 2.619 67 C HA 0.023 4.483 4.460 -0.000 0.000 0.338 67 C C -1.194 173.728 174.990 -0.113 0.000 1.452 67 C CA -0.356 58.637 59.018 -0.041 0.000 0.842 67 C CB -1.162 26.584 27.740 0.009 0.000 1.842 67 C HN 1.057 nan 8.230 nan 0.000 0.733 68 Q N 0.335 120.077 119.800 -0.096 0.000 2.456 68 Q HA -0.177 4.163 4.340 -0.000 0.000 0.325 68 Q C 0.867 176.809 176.000 -0.097 0.000 1.453 68 Q CA 0.962 56.699 55.803 -0.110 0.000 0.848 68 Q CB -2.132 26.502 28.738 -0.173 0.000 1.123 68 Q HN 0.837 nan 8.270 nan 0.000 0.374 69 T N -3.330 111.187 114.554 -0.062 0.000 9.945 69 T HA -0.446 3.904 4.350 -0.000 0.000 0.410 69 T C 1.487 176.162 174.700 -0.042 0.000 1.507 69 T CA 1.710 63.783 62.100 -0.045 0.000 2.480 69 T CB -1.792 67.052 68.868 -0.040 0.000 2.922 69 T HN 0.954 nan 8.240 nan 0.000 1.162 70 C N 2.794 122.056 119.300 -0.063 0.000 2.393 70 C HA -0.167 4.293 4.460 -0.000 0.000 0.292 70 C C 2.162 177.150 174.990 -0.004 0.000 1.347 70 C CA 1.797 60.792 59.018 -0.039 0.000 1.810 70 C CB -2.006 25.693 27.740 -0.069 0.000 1.899 70 C HN 0.914 nan 8.230 nan 0.000 0.532 71 Q N -0.436 119.357 119.800 -0.012 0.000 2.289 71 Q HA -0.434 3.906 4.340 -0.000 0.000 0.451 71 Q C 0.794 176.801 176.000 0.011 0.000 0.683 71 Q CA 2.200 58.001 55.803 -0.003 0.000 0.903 71 Q CB -1.331 27.402 28.738 -0.008 0.000 3.084 71 Q HN 0.500 nan 8.270 nan 0.000 0.946 72 E N -1.352 118.852 120.200 0.006 0.000 4.586 72 E HA -0.266 4.084 4.350 -0.000 0.000 0.271 72 E C 0.825 177.429 176.600 0.007 0.000 0.767 72 E CA 2.503 58.908 56.400 0.009 0.000 1.491 72 E CB -2.182 27.529 29.700 0.018 0.000 1.758 72 E HN 1.661 nan 8.360 nan 0.000 0.398 73 G N 1.259 110.065 108.800 0.010 0.000 3.490 73 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.646 73 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.646 73 G C 0.938 175.840 174.900 0.003 0.000 1.058 73 G CA 1.424 46.527 45.100 0.005 0.000 1.199 73 G HN 0.266 nan 8.290 nan 0.000 0.569 74 M N 0.203 119.803 119.600 0.001 0.000 3.459 74 M HA -0.376 4.104 4.480 -0.000 0.000 0.284 74 M C 1.368 177.664 176.300 -0.007 0.000 0.392 74 M CA 2.588 57.884 55.300 -0.006 0.000 0.835 74 M CB -1.054 31.539 32.600 -0.012 0.000 1.727 74 M HN 0.827 nan 8.290 nan 0.000 0.469 75 N N 0.985 119.680 118.700 -0.008 0.000 2.411 75 N HA 0.179 4.919 4.740 -0.000 0.000 0.259 75 N C 0.190 175.697 175.510 -0.005 0.000 1.103 75 N CA 1.119 54.164 53.050 -0.008 0.000 0.954 75 N CB 1.513 39.993 38.487 -0.010 0.000 1.085 75 N HN 0.519 nan 8.380 nan 0.000 0.485 76 E N 1.722 121.919 120.200 -0.005 0.000 3.903 76 E HA -0.164 4.186 4.350 -0.000 0.000 0.436 76 E C -1.197 175.405 176.600 0.004 0.000 0.478 76 E CA 0.272 56.672 56.400 -0.001 0.000 1.553 76 E CB -1.686 28.015 29.700 0.002 0.000 2.007 76 E HN 0.451 nan 8.360 nan 0.000 0.360 77 C N 4.443 123.748 119.300 0.007 0.000 2.225 77 C HA 0.761 5.221 4.460 -0.000 0.000 0.323 77 C C -1.903 173.060 174.990 -0.046 0.000 1.164 77 C CA -1.484 57.544 59.018 0.017 0.000 1.565 77 C CB -0.256 27.528 27.740 0.074 0.000 2.124 77 C HN 0.316 nan 8.230 nan 0.000 0.461 78 P HA 0.266 nan 4.420 nan 0.000 0.272 78 P C 0.528 177.661 177.300 -0.278 0.000 1.240 78 P CA 0.411 63.427 63.100 -0.139 0.000 0.791 78 P CB 0.613 32.241 31.700 -0.119 0.000 0.978 79 G N 0.541 109.218 108.800 -0.206 0.000 2.716 79 G HA2 0.110 4.070 3.960 -0.000 0.000 0.251 79 G HA3 0.110 4.070 3.960 -0.000 0.000 0.251 79 G C -0.431 174.221 174.900 -0.414 0.000 1.224 79 G CA -0.282 44.679 45.100 -0.231 0.000 0.891 79 G HN 0.631 nan 8.290 nan 0.000 0.561 80 H N 0.150 119.222 119.070 0.003 0.000 2.887 80 H HA 0.217 4.772 4.556 -0.000 0.000 0.300 80 H C -0.413 174.952 175.328 0.062 0.000 1.038 80 H CA -0.671 55.414 56.048 0.063 0.000 1.352 80 H CB 0.758 30.540 29.762 0.033 0.000 1.473 80 H HN 0.263 nan 8.280 nan 0.000 0.503 81 F N 1.387 121.369 119.950 0.053 0.000 2.650 81 F HA 0.156 4.683 4.527 -0.000 0.000 0.355 81 F C 1.532 177.353 175.800 0.034 0.000 1.163 81 F CA 1.325 59.339 58.000 0.024 0.000 1.374 81 F CB 0.674 39.660 39.000 -0.023 0.000 1.065 81 F HN 0.539 nan 8.300 nan 0.000 0.616 82 G N 0.752 109.659 108.800 0.179 0.000 2.816 82 G HA2 0.626 4.586 3.960 -0.000 0.000 0.288 82 G HA3 0.626 4.586 3.960 -0.000 0.000 0.288 82 G C -1.724 173.324 174.900 0.246 0.000 1.334 82 G CA -0.715 44.488 45.100 0.171 0.000 0.978 82 G HN 0.877 nan 8.290 nan 0.000 0.493 83 H N -2.392 116.702 119.070 0.040 0.000 2.931 83 H HA 0.812 5.368 4.556 -0.000 0.000 0.331 83 H C -1.510 173.825 175.328 0.013 0.000 1.273 83 H CA -1.239 54.821 56.048 0.019 0.000 1.171 83 H CB 2.617 32.377 29.762 -0.002 0.000 1.898 83 H HN 0.561 nan 8.280 nan 0.000 0.562 84 I N 2.034 122.404 120.570 -0.334 0.000 2.630 84 I HA 0.058 4.228 4.170 -0.000 0.000 0.279 84 I C -1.326 174.639 176.117 -0.254 0.000 1.235 84 I CA -0.537 60.550 61.300 -0.356 0.000 1.096 84 I CB 1.225 39.128 38.000 -0.161 0.000 1.318 84 I HN 0.718 nan 8.210 nan 0.000 0.457 85 D N 8.476 128.694 120.400 -0.304 0.000 2.502 85 D HA 0.103 4.743 4.640 -0.000 0.000 0.249 85 D C 0.464 176.725 176.300 -0.065 0.000 1.188 85 D CA 0.511 54.440 54.000 -0.120 0.000 0.890 85 D CB 0.957 41.711 40.800 -0.076 0.000 1.140 85 D HN 0.403 nan 8.370 nan 0.000 0.505 86 L N 1.135 122.343 121.223 -0.025 0.000 2.464 86 L HA 0.182 4.521 4.340 -0.000 0.000 0.224 86 L C 1.727 178.597 176.870 0.000 0.000 1.219 86 L CA -0.498 54.336 54.840 -0.010 0.000 0.831 86 L CB 0.138 42.204 42.059 0.012 0.000 1.284 86 L HN 0.388 nan 8.230 nan 0.000 0.522 87 A N -0.417 122.407 122.820 0.006 0.000 1.944 87 A HA 0.196 4.516 4.320 -0.000 0.000 0.207 87 A C 0.747 178.340 177.584 0.015 0.000 1.265 87 A CA 0.590 52.634 52.037 0.011 0.000 0.712 87 A CB 0.267 19.271 19.000 0.007 0.000 0.915 87 A HN 0.642 nan 8.150 nan 0.000 0.470 88 K N 0.482 120.890 120.400 0.012 0.000 2.375 88 K HA 0.410 4.730 4.320 -0.000 0.000 0.249 88 K C -2.990 173.621 176.600 0.018 0.000 0.942 88 K CA -2.393 53.902 56.287 0.013 0.000 0.806 88 K CB 2.101 34.603 32.500 0.003 0.000 1.227 88 K HN 0.086 nan 8.250 nan 0.000 0.430 89 P HA -0.022 nan 4.420 nan 0.000 0.262 89 P C -0.588 176.729 177.300 0.028 0.000 1.182 89 P CA -0.025 63.102 63.100 0.046 0.000 0.761 89 P CB 0.548 32.282 31.700 0.058 0.000 0.795 90 V N 4.036 123.990 119.914 0.067 0.000 2.864 90 V HA 0.347 4.467 4.120 -0.000 0.000 0.314 90 V C 0.877 177.111 176.094 0.234 0.000 1.073 90 V CA -0.746 61.589 62.300 0.059 0.000 0.956 90 V CB 1.207 33.069 31.823 0.066 0.000 1.023 90 V HN 0.333 nan 8.190 nan 0.000 0.435 91 F N 1.029 121.007 119.950 0.047 0.000 2.134 91 F HA 0.280 4.807 4.527 -0.000 0.000 0.269 91 F C 1.001 176.864 175.800 0.105 0.000 1.175 91 F CA -0.199 57.836 58.000 0.058 0.000 1.227 91 F CB -0.097 38.926 39.000 0.039 0.000 1.625 91 F HN 0.575 nan 8.300 nan 0.000 0.500 92 H N 0.351 119.515 119.070 0.157 0.000 2.538 92 H HA 0.320 4.876 4.556 -0.000 0.000 0.239 92 H C 0.586 175.825 175.328 -0.148 0.000 1.401 92 H CA -0.239 55.775 56.048 -0.057 0.000 1.499 92 H CB 0.425 30.067 29.762 -0.201 0.000 1.624 92 H HN 0.353 nan 8.280 nan 0.000 0.524 93 V N 2.693 122.464 119.914 -0.237 0.000 2.477 93 V HA -0.464 3.656 4.120 -0.000 0.000 0.221 93 V C 2.370 178.293 176.094 -0.286 0.000 1.048 93 V CA 2.562 64.719 62.300 -0.239 0.000 1.076 93 V CB -1.608 30.062 31.823 -0.255 0.000 1.004 93 V HN 0.711 nan 8.190 nan 0.000 0.476 94 G N -1.758 106.669 108.800 -0.622 0.000 2.403 94 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.216 94 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.216 94 G C 1.369 176.188 174.900 -0.136 0.000 1.154 94 G CA 0.849 45.709 45.100 -0.401 0.000 0.784 94 G HN 0.584 nan 8.290 nan 0.000 0.538 95 F N 0.519 120.333 119.950 -0.227 0.000 2.456 95 F HA 0.119 4.646 4.527 -0.000 0.000 0.298 95 F C 2.482 178.201 175.800 -0.135 0.000 1.104 95 F CA -0.409 57.531 58.000 -0.101 0.000 1.435 95 F CB -0.088 38.910 39.000 -0.003 0.000 1.078 95 F HN 0.051 nan 8.300 nan 0.000 0.546 96 I N 0.846 121.417 120.570 0.002 0.000 2.147 96 I HA -0.456 3.714 4.170 -0.000 0.000 0.245 96 I C 2.771 178.843 176.117 -0.075 0.000 1.059 96 I CA 1.469 62.674 61.300 -0.158 0.000 1.320 96 I CB -0.878 37.092 38.000 -0.050 0.000 1.021 96 I HN 0.132 nan 8.210 nan 0.000 0.415 97 A N 0.378 123.198 122.820 0.001 0.000 1.884 97 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 97 A C 2.400 179.993 177.584 0.015 0.000 1.197 97 A CA 2.203 54.247 52.037 0.011 0.000 0.637 97 A CB -0.575 18.434 19.000 0.016 0.000 0.827 97 A HN 0.389 nan 8.150 nan 0.000 0.450 98 K N -0.834 119.584 120.400 0.031 0.000 2.031 98 K HA 0.047 4.367 4.320 -0.000 0.000 0.205 98 K C 1.920 178.602 176.600 0.136 0.000 1.049 98 K CA 1.170 57.496 56.287 0.065 0.000 0.939 98 K CB -0.330 32.137 32.500 -0.056 0.000 0.717 98 K HN 0.560 nan 8.250 nan 0.000 0.438 99 I N 1.575 122.173 120.570 0.046 0.000 2.236 99 I HA -0.355 3.814 4.170 -0.000 0.000 0.249 99 I C 2.636 178.844 176.117 0.152 0.000 1.102 99 I CA 1.265 62.585 61.300 0.034 0.000 1.365 99 I CB -0.343 37.438 38.000 -0.365 0.000 1.051 99 I HN 0.201 nan 8.210 nan 0.000 0.420 100 K N 1.799 122.240 120.400 0.068 0.000 1.967 100 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 100 K C 2.045 178.775 176.600 0.217 0.000 1.044 100 K CA 1.572 57.934 56.287 0.124 0.000 0.942 100 K CB -0.218 32.336 32.500 0.090 0.000 0.726 100 K HN 0.201 nan 8.250 nan 0.000 0.440 101 K N 0.532 121.054 120.400 0.204 0.000 2.107 101 K HA -0.176 4.143 4.320 -0.000 0.000 0.211 101 K C 2.123 178.944 176.600 0.368 0.000 1.049 101 K CA 1.758 58.205 56.287 0.266 0.000 0.927 101 K CB -0.314 32.098 32.500 -0.147 0.000 0.714 101 K HN 0.009 nan 8.250 nan 0.000 0.452 102 V N 1.193 121.328 119.914 0.368 0.000 2.231 102 V HA -0.380 3.740 4.120 -0.000 0.000 0.248 102 V C 2.550 178.738 176.094 0.156 0.000 1.054 102 V CA 1.949 64.440 62.300 0.318 0.000 1.015 102 V CB -0.600 31.429 31.823 0.343 0.000 0.638 102 V HN 0.465 nan 8.190 nan 0.000 0.444 103 C N -0.059 119.357 119.300 0.192 0.000 2.398 103 C HA -0.195 4.265 4.460 -0.000 0.000 0.276 103 C C 2.576 177.619 174.990 0.088 0.000 1.222 103 C CA 1.199 60.286 59.018 0.116 0.000 1.746 103 C CB -1.273 26.580 27.740 0.188 0.000 2.039 103 C HN 0.629 nan 8.230 nan 0.000 0.470 104 E N -1.035 119.248 120.200 0.138 0.000 2.455 104 E HA -0.201 4.149 4.350 -0.000 0.000 0.202 104 E C 1.809 178.426 176.600 0.027 0.000 1.045 104 E CA 0.846 57.291 56.400 0.074 0.000 0.872 104 E CB -0.157 29.621 29.700 0.131 0.000 0.792 104 E HN 0.692 nan 8.360 nan 0.000 0.542 105 C N 0.159 119.509 119.300 0.082 0.000 2.735 105 C HA 0.183 4.643 4.460 -0.000 0.000 0.271 105 C C 0.613 175.602 174.990 -0.001 0.000 1.281 105 C CA -0.262 58.784 59.018 0.046 0.000 1.719 105 C CB 0.361 28.169 27.740 0.114 0.000 2.024 105 C HN -0.002 nan 8.230 nan 0.000 0.566 106 V N -0.366 119.535 119.914 -0.022 0.000 2.808 106 V HA 0.326 4.446 4.120 -0.000 0.000 0.308 106 V C -0.362 175.715 176.094 -0.028 0.000 1.099 106 V CA -0.785 61.486 62.300 -0.048 0.000 0.920 106 V CB 1.471 33.226 31.823 -0.114 0.000 1.014 106 V HN 0.325 nan 8.190 nan 0.000 0.425 107 C N 6.323 125.621 119.300 -0.002 0.000 2.500 107 C HA 0.622 5.082 4.460 -0.000 0.000 0.367 107 C C 0.709 175.713 174.990 0.024 0.000 1.283 107 C CA -0.527 58.514 59.018 0.038 0.000 2.456 107 C CB 0.481 28.267 27.740 0.076 0.000 2.457 107 C HN 0.826 nan 8.230 nan 0.000 0.632 108 M N 2.857 122.471 119.600 0.022 0.000 2.116 108 M HA 0.368 4.848 4.480 -0.000 0.000 0.235 108 M C 1.232 177.485 176.300 -0.078 0.000 1.193 108 M CA 0.099 55.342 55.300 -0.095 0.000 0.959 108 M CB -0.789 31.672 32.600 -0.231 0.000 1.313 108 M HN 0.908 nan 8.290 nan 0.000 0.530 109 H N -1.304 117.798 119.070 0.053 0.000 4.829 109 H HA -0.209 4.347 4.556 -0.000 0.000 0.080 109 H C 1.505 176.813 175.328 -0.033 0.000 0.582 109 H CA 2.284 58.339 56.048 0.012 0.000 1.075 109 H CB -1.390 28.376 29.762 0.007 0.000 0.466 109 H HN 0.874 nan 8.280 nan 0.000 0.746 110 C N 0.507 119.847 119.300 0.068 0.000 3.095 110 C HA 0.666 5.126 4.460 -0.000 0.000 0.472 110 C C 1.499 176.459 174.990 -0.050 0.000 1.348 110 C CA 1.300 60.303 59.018 -0.025 0.000 2.206 110 C CB 0.394 28.130 27.740 -0.008 0.000 3.088 110 C HN 1.387 nan 8.230 nan 0.000 0.599 111 G N 2.112 110.901 108.800 -0.018 0.000 2.460 111 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.259 111 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.259 111 G C -0.637 174.228 174.900 -0.059 0.000 0.959 111 G CA 0.808 45.886 45.100 -0.036 0.000 1.330 111 G HN 1.093 nan 8.290 nan 0.000 0.451 112 K N 1.178 121.545 120.400 -0.055 0.000 2.579 112 K HA 0.554 4.874 4.320 -0.000 0.000 0.284 112 K C 0.798 177.371 176.600 -0.045 0.000 0.990 112 K CA -1.256 54.996 56.287 -0.059 0.000 0.880 112 K CB 1.263 33.736 32.500 -0.045 0.000 1.488 112 K HN 0.290 nan 8.250 nan 0.000 0.425 113 L N 2.093 123.291 121.223 -0.041 0.000 2.477 113 L HA -0.082 4.258 4.340 -0.000 0.000 0.289 113 L C 0.687 177.549 176.870 -0.013 0.000 1.279 113 L CA 0.568 55.394 54.840 -0.024 0.000 0.825 113 L CB 0.101 42.150 42.059 -0.017 0.000 1.085 113 L HN 0.559 nan 8.230 nan 0.000 0.548 114 L N 2.347 123.564 121.223 -0.011 0.000 3.168 114 L HA 0.405 4.745 4.340 -0.000 0.000 0.277 114 L C -0.750 176.117 176.870 -0.006 0.000 1.245 114 L CA -0.015 54.820 54.840 -0.009 0.000 1.035 114 L CB 0.080 42.126 42.059 -0.020 0.000 1.399 114 L HN 0.361 nan 8.230 nan 0.000 0.580 115 L N 0.112 121.335 121.223 0.001 0.000 2.973 115 L HA 0.319 4.659 4.340 -0.000 0.000 0.254 115 L C -1.348 175.524 176.870 0.003 0.000 0.947 115 L CA -0.309 54.535 54.840 0.007 0.000 1.064 115 L CB 2.071 44.126 42.059 -0.007 0.000 1.534 115 L HN -0.012 nan 8.230 nan 0.000 0.504 116 D N 1.249 121.660 120.400 0.020 0.000 2.437 116 D HA 0.190 4.830 4.640 -0.000 0.000 0.259 116 D C 0.770 176.996 176.300 -0.123 0.000 1.118 116 D CA -0.473 53.496 54.000 -0.050 0.000 1.017 116 D CB 1.515 42.290 40.800 -0.040 0.000 1.120 116 D HN 0.449 nan 8.370 nan 0.000 0.541 117 E N -0.194 119.863 120.200 -0.239 0.000 2.324 117 E HA -0.241 4.109 4.350 -0.000 0.000 0.205 117 E C 1.611 178.098 176.600 -0.188 0.000 1.031 117 E CA 1.384 57.651 56.400 -0.221 0.000 0.836 117 E CB -0.204 29.339 29.700 -0.262 0.000 0.742 117 E HN 0.398 nan 8.360 nan 0.000 0.491 118 H N 0.207 119.273 119.070 -0.007 0.000 2.267 118 H HA -0.059 4.496 4.556 -0.000 0.000 0.297 118 H C 1.116 176.439 175.328 -0.008 0.000 1.080 118 H CA 1.090 57.133 56.048 -0.008 0.000 1.278 118 H CB -0.744 29.012 29.762 -0.010 0.000 1.365 118 H HN 0.144 nan 8.280 nan 0.000 0.489 119 N N 1.831 120.594 118.700 0.106 0.000 2.447 119 N HA -0.102 4.638 4.740 -0.000 0.000 0.263 119 N C 1.206 176.730 175.510 0.023 0.000 1.226 119 N CA 0.280 53.360 53.050 0.050 0.000 0.906 119 N CB 1.237 39.742 38.487 0.030 0.000 1.060 119 N HN 0.453 nan 8.380 nan 0.000 0.468 120 E N 4.044 124.255 120.200 0.019 0.000 2.046 120 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 120 E C 1.738 178.340 176.600 0.004 0.000 0.982 120 E CA 0.532 56.938 56.400 0.010 0.000 0.800 120 E CB 0.032 29.739 29.700 0.011 0.000 0.756 120 E HN 0.672 nan 8.360 nan 0.000 0.449 121 L N 0.491 121.715 121.223 0.002 0.000 2.137 121 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 121 L C 2.664 179.533 176.870 -0.002 0.000 1.085 121 L CA 1.087 55.926 54.840 -0.002 0.000 0.760 121 L CB -0.353 41.701 42.059 -0.008 0.000 0.893 121 L HN 0.389 nan 8.230 nan 0.000 0.434 122 M N 0.048 119.646 119.600 -0.003 0.000 2.059 122 M HA -0.184 4.295 4.480 -0.000 0.000 0.259 122 M C 2.259 178.558 176.300 -0.002 0.000 1.072 122 M CA 1.781 57.079 55.300 -0.004 0.000 1.117 122 M CB -0.428 32.168 32.600 -0.006 0.000 1.320 122 M HN -0.016 nan 8.290 nan 0.000 0.408 123 R N -0.253 120.243 120.500 -0.006 0.000 2.196 123 R HA -0.294 4.046 4.340 -0.000 0.000 0.244 123 R C 2.269 178.571 176.300 0.003 0.000 1.121 123 R CA 2.604 58.700 56.100 -0.007 0.000 0.930 123 R CB -1.126 29.170 30.300 -0.007 0.000 0.890 123 R HN 0.613 nan 8.270 nan 0.000 0.435 124 Q N -0.251 119.552 119.800 0.006 0.000 2.096 124 Q HA -0.223 4.117 4.340 -0.000 0.000 0.208 124 Q C 2.298 178.308 176.000 0.017 0.000 0.993 124 Q CA 1.784 57.593 55.803 0.011 0.000 0.862 124 Q CB -0.301 28.443 28.738 0.011 0.000 0.915 124 Q HN 0.492 nan 8.270 nan 0.000 0.416 125 A N 0.821 123.651 122.820 0.017 0.000 1.978 125 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 125 A C 1.982 179.585 177.584 0.033 0.000 1.170 125 A CA 1.169 53.222 52.037 0.026 0.000 0.636 125 A CB -0.581 18.432 19.000 0.022 0.000 0.810 125 A HN 0.319 nan 8.150 nan 0.000 0.448 126 L N -1.227 120.011 121.223 0.025 0.000 2.478 126 L HA -0.023 4.316 4.340 -0.000 0.000 0.223 126 L C 2.757 179.643 176.870 0.027 0.000 1.140 126 L CA 0.536 55.392 54.840 0.028 0.000 0.842 126 L CB -0.363 41.705 42.059 0.014 0.000 0.953 126 L HN 0.431 nan 8.230 nan 0.000 0.452 127 A N 0.302 123.136 122.820 0.024 0.000 1.975 127 A HA 0.073 4.393 4.320 -0.000 0.000 0.215 127 A C 1.296 178.898 177.584 0.030 0.000 1.170 127 A CA 0.038 52.089 52.037 0.023 0.000 0.656 127 A CB -0.325 18.686 19.000 0.019 0.000 0.821 127 A HN 0.264 nan 8.150 nan 0.000 0.449 128 I N 1.669 122.260 120.570 0.035 0.000 2.948 128 I HA -0.106 4.064 4.170 -0.000 0.000 0.284 128 I C -0.040 176.104 176.117 0.045 0.000 1.181 128 I CA 0.494 61.818 61.300 0.041 0.000 1.372 128 I CB 0.040 38.068 38.000 0.047 0.000 1.443 128 I HN 0.200 nan 8.210 nan 0.000 0.554 129 K N 5.844 126.268 120.400 0.039 0.000 2.278 129 K HA 0.129 4.449 4.320 -0.000 0.000 0.237 129 K C -0.328 176.297 176.600 0.041 0.000 1.229 129 K CA 0.049 56.360 56.287 0.039 0.000 1.155 129 K CB -0.033 32.486 32.500 0.033 0.000 1.590 129 K HN 0.428 nan 8.250 nan 0.000 0.290 130 D N 0.718 121.147 120.400 0.049 0.000 2.584 130 D HA -0.024 4.616 4.640 -0.000 0.000 0.238 130 D C 0.935 177.268 176.300 0.056 0.000 1.302 130 D CA -0.013 54.015 54.000 0.047 0.000 0.884 130 D CB 0.577 41.406 40.800 0.048 0.000 1.456 130 D HN 0.273 nan 8.370 nan 0.000 0.528 131 S N 2.100 117.828 115.700 0.047 0.000 2.429 131 S HA -0.361 4.109 4.470 -0.000 0.000 0.251 131 S C 1.734 176.371 174.600 0.061 0.000 1.104 131 S CA 1.219 59.446 58.200 0.045 0.000 1.130 131 S CB -0.228 62.966 63.200 -0.010 0.000 1.000 131 S HN 0.478 nan 8.310 nan 0.000 0.449 132 K N 1.249 121.671 120.400 0.036 0.000 2.103 132 K HA -0.053 4.266 4.320 -0.000 0.000 0.207 132 K C 2.364 179.027 176.600 0.106 0.000 1.048 132 K CA 1.685 58.003 56.287 0.051 0.000 0.930 132 K CB -0.177 32.341 32.500 0.029 0.000 0.716 132 K HN 0.498 nan 8.250 nan 0.000 0.444 133 K N -0.070 120.385 120.400 0.092 0.000 2.262 133 K HA 0.042 4.362 4.320 -0.000 0.000 0.200 133 K C 2.062 178.726 176.600 0.107 0.000 1.049 133 K CA 0.236 56.578 56.287 0.091 0.000 0.979 133 K CB 0.194 32.734 32.500 0.067 0.000 0.773 133 K HN 0.037 nan 8.250 nan 0.000 0.474 134 R N 0.522 121.095 120.500 0.122 0.000 2.092 134 R HA -0.110 4.230 4.340 -0.000 0.000 0.226 134 R C 2.074 178.472 176.300 0.162 0.000 1.140 134 R CA 1.808 57.984 56.100 0.127 0.000 0.910 134 R CB -0.653 29.730 30.300 0.140 0.000 0.822 134 R HN 0.089 nan 8.270 nan 0.000 0.433 135 F N 1.447 121.434 119.950 0.063 0.000 2.135 135 F HA -0.307 4.220 4.527 -0.000 0.000 0.300 135 F C 1.975 177.834 175.800 0.099 0.000 1.074 135 F CA 1.728 59.776 58.000 0.079 0.000 1.262 135 F CB -0.223 38.793 39.000 0.028 0.000 1.013 135 F HN 0.115 nan 8.300 nan 0.000 0.489 136 A N -1.098 121.798 122.820 0.126 0.000 2.206 136 A HA 0.400 4.720 4.320 -0.000 0.000 0.211 136 A C 1.935 179.571 177.584 0.088 0.000 1.158 136 A CA 1.010 53.088 52.037 0.068 0.000 0.761 136 A CB -0.916 18.145 19.000 0.101 0.000 0.801 136 A HN 0.468 nan 8.150 nan 0.000 0.473 137 A N -0.982 121.878 122.820 0.067 0.000 2.226 137 A HA 0.386 4.706 4.320 -0.000 0.000 0.207 137 A C 1.710 179.314 177.584 0.033 0.000 1.293 137 A CA 0.266 52.338 52.037 0.059 0.000 0.968 137 A CB -0.079 18.951 19.000 0.050 0.000 1.044 137 A HN 0.313 nan 8.150 nan 0.000 0.493 138 I N -1.758 118.824 120.570 0.019 0.000 2.133 138 I HA -0.238 3.932 4.170 -0.000 0.000 0.238 138 I C 2.381 178.489 176.117 -0.015 0.000 1.074 138 I CA 1.664 62.964 61.300 0.001 0.000 1.342 138 I CB -0.366 37.641 38.000 0.011 0.000 1.053 138 I HN 0.668 nan 8.210 nan 0.000 0.404 139 W N 2.126 123.248 121.300 -0.296 0.000 2.315 139 W HA -0.287 4.372 4.660 -0.000 0.000 0.323 139 W C 2.689 179.109 176.519 -0.166 0.000 1.233 139 W CA 2.715 59.882 57.345 -0.296 0.000 1.267 139 W CB -0.744 28.433 29.460 -0.471 0.000 1.160 139 W HN 0.020 nan 8.180 nan 0.000 0.474 140 T N 1.540 116.111 114.554 0.028 0.000 2.685 140 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 140 T C 1.903 176.470 174.700 -0.222 0.000 1.034 140 T CA 1.970 63.977 62.100 -0.156 0.000 1.149 140 T CB -0.695 68.193 68.868 0.033 0.000 0.860 140 T HN 0.204 nan 8.240 nan 0.000 0.449 141 L N 0.713 121.856 121.223 -0.134 0.000 2.093 141 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 141 L C 2.209 178.989 176.870 -0.151 0.000 1.085 141 L CA 1.048 55.818 54.840 -0.116 0.000 0.755 141 L CB -0.304 41.718 42.059 -0.062 0.000 0.904 141 L HN 0.519 nan 8.230 nan 0.000 0.435 142 C N -2.982 116.206 119.300 -0.187 0.000 2.994 142 C HA 0.200 4.660 4.460 -0.000 0.000 0.284 142 C C 2.046 176.879 174.990 -0.262 0.000 1.404 142 C CA -0.854 58.057 59.018 -0.179 0.000 1.775 142 C CB -1.075 26.601 27.740 -0.107 0.000 2.458 142 C HN 0.426 nan 8.230 nan 0.000 0.593 143 K N 1.206 121.333 120.400 -0.456 0.000 2.217 143 K HA -0.021 4.299 4.320 -0.000 0.000 0.202 143 K C 1.508 177.905 176.600 -0.337 0.000 1.051 143 K CA 1.670 57.622 56.287 -0.558 0.000 0.952 143 K CB -0.561 31.274 32.500 -1.109 0.000 0.736 143 K HN 0.328 nan 8.250 nan 0.000 0.453 144 T N 1.275 115.659 114.554 -0.283 0.000 2.735 144 T HA -0.020 4.330 4.350 -0.000 0.000 0.256 144 T C 0.403 175.025 174.700 -0.129 0.000 1.042 144 T CA 0.714 62.703 62.100 -0.186 0.000 1.147 144 T CB -0.004 68.770 68.868 -0.158 0.000 0.865 144 T HN 0.183 nan 8.240 nan 0.000 0.421 145 K N 1.938 122.270 120.400 -0.113 0.000 2.436 145 K HA 0.146 4.466 4.320 -0.000 0.000 0.282 145 K C -0.186 176.375 176.600 -0.065 0.000 1.044 145 K CA 0.469 56.711 56.287 -0.074 0.000 1.028 145 K CB 0.303 32.768 32.500 -0.059 0.000 0.919 145 K HN 0.361 nan 8.250 nan 0.000 0.474 146 M N 2.698 122.270 119.600 -0.045 0.000 2.876 146 M HA 0.160 4.640 4.480 -0.000 0.000 0.367 146 M C -0.976 175.329 176.300 0.009 0.000 1.242 146 M CA -0.303 54.980 55.300 -0.029 0.000 0.889 146 M CB 0.922 33.495 32.600 -0.046 0.000 1.353 146 M HN 0.048 nan 8.290 nan 0.000 0.511 147 V N 0.113 120.032 119.914 0.009 0.000 2.488 147 V HA 0.134 4.254 4.120 -0.000 0.000 0.293 147 V C -0.224 175.883 176.094 0.022 0.000 1.027 147 V CA -1.118 61.197 62.300 0.025 0.000 0.862 147 V CB 1.944 33.775 31.823 0.013 0.000 1.008 147 V HN 0.504 nan 8.190 nan 0.000 0.428 148 C N 5.823 125.146 119.300 0.038 0.000 3.461 148 C HA 0.142 4.602 4.460 -0.000 0.000 0.525 148 C C 1.126 176.126 174.990 0.016 0.000 1.028 148 C CA -0.413 58.624 59.018 0.032 0.000 1.068 148 C CB -2.117 25.654 27.740 0.052 0.000 1.402 148 C HN 0.886 nan 8.230 nan 0.000 0.612 149 E N 1.883 122.088 120.200 0.008 0.000 2.708 149 E HA -0.090 4.260 4.350 -0.000 0.000 0.260 149 E C 1.046 177.644 176.600 -0.004 0.000 0.937 149 E CA 0.529 56.929 56.400 -0.001 0.000 0.953 149 E CB 0.538 30.236 29.700 -0.004 0.000 0.915 149 E HN 0.603 nan 8.360 nan 0.000 0.487 150 T N 2.280 116.827 114.554 -0.013 0.000 3.040 150 T HA 0.038 4.387 4.350 -0.000 0.000 0.250 150 T C -0.442 174.239 174.700 -0.033 0.000 1.058 150 T CA 0.139 62.228 62.100 -0.018 0.000 0.988 150 T CB 0.314 69.171 68.868 -0.018 0.000 0.993 150 T HN 0.382 nan 8.240 nan 0.000 0.519 151 D N 0.516 120.892 120.400 -0.040 0.000 2.927 151 D HA 0.496 5.136 4.640 -0.000 0.000 0.219 151 D C -1.225 175.035 176.300 -0.066 0.000 1.248 151 D CA -0.231 53.732 54.000 -0.062 0.000 0.861 151 D CB 2.848 43.617 40.800 -0.051 0.000 1.677 151 D HN -0.068 nan 8.370 nan 0.000 0.511 152 V N 1.522 121.374 119.914 -0.102 0.000 2.971 152 V HA 0.435 4.555 4.120 -0.000 0.000 0.309 152 V C -2.438 173.597 176.094 -0.098 0.000 1.130 152 V CA -1.717 60.532 62.300 -0.085 0.000 0.964 152 V CB 2.664 34.444 31.823 -0.071 0.000 1.029 152 V HN 0.377 nan 8.190 nan 0.000 0.427 153 P HA 0.111 nan 4.420 nan 0.000 0.264 153 P C 0.358 177.633 177.300 -0.042 0.000 1.236 153 P CA 0.302 63.374 63.100 -0.046 0.000 0.811 153 P CB 0.653 32.338 31.700 -0.026 0.000 0.840 154 S N 3.459 119.126 115.700 -0.056 0.000 2.688 154 S HA -0.065 4.405 4.470 -0.000 0.000 0.248 154 S C 1.096 175.705 174.600 0.014 0.000 1.361 154 S CA -0.083 58.103 58.200 -0.024 0.000 0.979 154 S CB -0.287 62.895 63.200 -0.030 0.000 0.947 154 S HN 0.468 nan 8.310 nan 0.000 0.545 155 E N 0.952 121.172 120.200 0.033 0.000 2.512 155 E HA 0.062 4.411 4.350 -0.000 0.000 0.195 155 E C 0.104 176.712 176.600 0.014 0.000 1.083 155 E CA 0.288 56.706 56.400 0.028 0.000 0.873 155 E CB -0.139 29.582 29.700 0.035 0.000 0.897 155 E HN 0.461 nan 8.360 nan 0.000 0.514 156 D N 0.546 120.950 120.400 0.007 0.000 3.132 156 D HA 0.074 4.714 4.640 -0.000 0.000 0.233 156 D C 0.108 176.407 176.300 -0.002 0.000 1.216 156 D CA -0.225 53.776 54.000 0.002 0.000 1.227 156 D CB 0.014 40.813 40.800 -0.001 0.000 0.930 156 D HN -0.103 nan 8.370 nan 0.000 0.202 157 D N 1.539 121.936 120.400 -0.006 0.000 2.264 157 D HA 0.150 4.790 4.640 -0.000 0.000 0.250 157 D C -1.530 174.764 176.300 -0.011 0.000 1.113 157 D CA -1.297 52.699 54.000 -0.007 0.000 0.871 157 D CB 2.011 42.806 40.800 -0.008 0.000 1.167 157 D HN 0.021 nan 8.370 nan 0.000 0.447 158 P HA -0.040 nan 4.420 nan 0.000 0.242 158 P C 0.879 178.170 177.300 -0.014 0.000 1.197 158 P CA 0.516 63.609 63.100 -0.012 0.000 0.765 158 P CB 0.456 32.151 31.700 -0.009 0.000 0.936 159 T N -0.930 113.616 114.554 -0.013 0.000 2.901 159 T HA -0.005 4.345 4.350 -0.000 0.000 0.252 159 T C 0.993 175.683 174.700 -0.017 0.000 1.035 159 T CA 0.650 62.742 62.100 -0.014 0.000 1.142 159 T CB -0.232 68.629 68.868 -0.011 0.000 0.869 159 T HN 0.247 nan 8.240 nan 0.000 0.442 160 Q N 1.409 121.198 119.800 -0.019 0.000 2.295 160 Q HA 0.409 4.749 4.340 -0.000 0.000 0.259 160 Q C -0.989 174.991 176.000 -0.033 0.000 0.976 160 Q CA -0.080 55.710 55.803 -0.023 0.000 0.923 160 Q CB 0.756 29.482 28.738 -0.020 0.000 1.185 160 Q HN 0.419 nan 8.270 nan 0.000 0.410 161 L N 3.025 124.226 121.223 -0.037 0.000 2.295 161 L HA 0.522 4.862 4.340 -0.000 0.000 0.285 161 L C -0.305 176.527 176.870 -0.063 0.000 1.035 161 L CA -0.880 53.930 54.840 -0.050 0.000 0.806 161 L CB 1.189 43.223 42.059 -0.043 0.000 1.214 161 L HN 0.296 nan 8.230 nan 0.000 0.426 162 V N 1.123 120.979 119.914 -0.096 0.000 2.850 162 V HA 0.568 4.688 4.120 -0.000 0.000 0.315 162 V C 0.166 176.180 176.094 -0.133 0.000 1.064 162 V CA -0.591 61.639 62.300 -0.116 0.000 0.979 162 V CB 1.988 33.713 31.823 -0.162 0.000 1.039 162 V HN 0.908 nan 8.190 nan 0.000 0.452 163 S N 3.132 118.770 115.700 -0.104 0.000 2.578 163 S HA 0.858 5.328 4.470 -0.000 0.000 0.301 163 S C -0.315 174.246 174.600 -0.066 0.000 1.091 163 S CA -0.785 57.367 58.200 -0.080 0.000 1.032 163 S CB 2.588 65.759 63.200 -0.047 0.000 1.064 163 S HN 0.938 nan 8.310 nan 0.000 0.508 164 R N 1.456 121.934 120.500 -0.037 0.000 2.834 164 R HA 0.698 5.038 4.340 -0.000 0.000 0.095 164 R C 0.789 177.091 176.300 0.004 0.000 0.743 164 R CA -0.519 55.588 56.100 0.011 0.000 0.563 164 R CB -0.518 29.819 30.300 0.061 0.000 0.484 164 R HN 0.713 nan 8.270 nan 0.000 0.336 165 G N -0.538 108.268 108.800 0.010 0.000 2.651 165 G HA2 0.460 4.420 3.960 -0.000 0.000 0.260 165 G HA3 0.460 4.420 3.960 -0.000 0.000 0.260 165 G C -0.378 174.517 174.900 -0.008 0.000 1.216 165 G CA -0.142 44.956 45.100 -0.003 0.000 0.913 165 G HN 0.623 nan 8.290 nan 0.000 0.535 166 G N -2.966 105.827 108.800 -0.011 0.000 3.105 166 G HA2 0.572 4.532 3.960 -0.000 0.000 0.277 166 G HA3 0.572 4.532 3.960 -0.000 0.000 0.277 166 G C 0.172 175.067 174.900 -0.009 0.000 1.375 166 G CA 0.397 45.490 45.100 -0.013 0.000 0.962 166 G HN 2.240 nan 8.290 nan 0.000 0.541 167 C N -1.276 118.014 119.300 -0.016 0.000 4.151 167 C HA -0.013 4.447 4.460 -0.000 0.000 0.319 167 C C 1.523 176.511 174.990 -0.002 0.000 1.089 167 C CA -0.634 58.371 59.018 -0.021 0.000 2.369 167 C CB -2.037 25.691 27.740 -0.020 0.000 1.327 167 C HN 2.149 nan 8.230 nan 0.000 0.622 168 G N 1.907 110.703 108.800 -0.006 0.000 2.653 168 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.212 168 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.212 168 G C 0.624 175.542 174.900 0.031 0.000 1.138 168 G CA 0.521 45.628 45.100 0.011 0.000 0.782 168 G HN 1.061 nan 8.290 nan 0.000 0.535 169 N N 1.787 120.493 118.700 0.010 0.000 1.794 169 N HA -0.099 4.641 4.740 -0.000 0.000 0.324 169 N C 0.504 176.099 175.510 0.142 0.000 1.301 169 N CA 0.952 54.018 53.050 0.026 0.000 0.798 169 N CB 0.176 38.634 38.487 -0.049 0.000 1.038 169 N HN 0.086 nan 8.380 nan 0.000 0.506 170 T N 3.148 117.794 114.554 0.153 0.000 2.939 170 T HA -0.092 4.258 4.350 -0.000 0.000 0.312 170 T C 0.764 175.654 174.700 0.317 0.000 1.064 170 T CA 0.268 62.493 62.100 0.210 0.000 1.136 170 T CB 0.387 69.399 68.868 0.240 0.000 1.035 170 T HN 0.299 nan 8.240 nan 0.000 0.538 171 Q N 4.112 124.016 119.800 0.174 0.000 2.303 171 Q HA 0.283 4.623 4.340 -0.000 0.000 0.257 171 Q C -2.194 173.759 176.000 -0.078 0.000 0.941 171 Q CA -2.006 53.860 55.803 0.105 0.000 0.931 171 Q CB 1.067 29.827 28.738 0.035 0.000 1.215 171 Q HN 0.437 nan 8.270 nan 0.000 0.437 172 P HA 0.040 nan 4.420 nan 0.000 0.280 172 P C -0.562 176.471 177.300 -0.446 0.000 1.244 172 P CA -0.235 62.371 63.100 -0.823 0.000 0.784 172 P CB 1.051 31.520 31.700 -2.052 0.000 0.913 173 T N 3.864 118.221 114.554 -0.327 0.000 2.898 173 T HA 0.369 4.719 4.350 -0.000 0.000 0.301 173 T C 0.648 175.227 174.700 -0.202 0.000 1.049 173 T CA 0.147 62.128 62.100 -0.199 0.000 1.095 173 T CB 0.102 68.887 68.868 -0.137 0.000 0.976 173 T HN 0.269 nan 8.240 nan 0.000 0.539 174 I N 1.823 122.329 120.570 -0.106 0.000 2.730 174 I HA 0.608 4.778 4.170 -0.000 0.000 0.298 174 I C -0.033 176.084 176.117 0.001 0.000 1.089 174 I CA -1.222 60.041 61.300 -0.061 0.000 1.041 174 I CB 2.135 40.126 38.000 -0.015 0.000 1.235 174 I HN 0.619 nan 8.210 nan 0.000 0.423 175 R N 2.919 123.427 120.500 0.013 0.000 2.808 175 R HA 0.584 4.924 4.340 -0.000 0.000 0.272 175 R C -1.294 175.043 176.300 0.060 0.000 0.995 175 R CA -1.138 54.986 56.100 0.039 0.000 0.917 175 R CB 2.188 32.502 30.300 0.024 0.000 1.217 175 R HN 0.497 nan 8.270 nan 0.000 0.471 176 K N 1.700 122.141 120.400 0.069 0.000 2.253 176 K HA 0.116 4.436 4.320 -0.000 0.000 0.277 176 K C -1.224 175.420 176.600 0.073 0.000 1.053 176 K CA -0.445 55.892 56.287 0.084 0.000 0.892 176 K CB 1.070 33.619 32.500 0.083 0.000 1.102 176 K HN 0.638 nan 8.250 nan 0.000 0.469 177 D N 3.954 124.402 120.400 0.080 0.000 2.440 177 D HA 0.266 4.906 4.640 -0.000 0.000 0.239 177 D C 0.709 177.054 176.300 0.074 0.000 1.084 177 D CA 0.650 54.689 54.000 0.066 0.000 0.843 177 D CB 1.367 42.201 40.800 0.055 0.000 1.097 177 D HN 0.883 nan 8.370 nan 0.000 0.531 178 G N 3.874 112.716 108.800 0.069 0.000 2.665 178 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.326 178 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.326 178 G C 0.754 175.708 174.900 0.089 0.000 1.231 178 G CA 0.685 45.829 45.100 0.074 0.000 0.992 178 G HN 0.569 nan 8.290 nan 0.000 0.549 179 L N 0.847 122.124 121.223 0.090 0.000 2.910 179 L HA 0.415 4.755 4.340 -0.000 0.000 0.252 179 L C 0.723 177.660 176.870 0.111 0.000 1.195 179 L CA 0.053 54.960 54.840 0.112 0.000 1.003 179 L CB 0.083 42.183 42.059 0.068 0.000 1.328 179 L HN 0.255 nan 8.230 nan 0.000 0.540 180 K N 0.723 121.194 120.400 0.118 0.000 2.444 180 K HA 0.683 5.003 4.320 -0.000 0.000 0.252 180 K C -1.153 175.560 176.600 0.187 0.000 0.993 180 K CA -0.795 55.560 56.287 0.114 0.000 0.847 180 K CB 3.081 35.592 32.500 0.019 0.000 1.340 180 K HN -0.072 nan 8.250 nan 0.000 0.446 181 L N 1.796 123.154 121.223 0.225 0.000 2.322 181 L HA 0.583 4.923 4.340 -0.000 0.000 0.281 181 L C -0.783 176.159 176.870 0.122 0.000 1.014 181 L CA -1.066 53.886 54.840 0.186 0.000 0.815 181 L CB 1.726 43.929 42.059 0.239 0.000 1.247 181 L HN 0.249 nan 8.230 nan 0.000 0.421 182 V N 1.337 121.295 119.914 0.073 0.000 2.914 182 V HA 0.912 5.032 4.120 -0.000 0.000 0.314 182 V C 0.045 176.116 176.094 -0.039 0.000 1.084 182 V CA -0.499 61.825 62.300 0.040 0.000 0.963 182 V CB 2.213 34.063 31.823 0.045 0.000 1.025 182 V HN 0.878 nan 8.190 nan 0.000 0.432 183 G N 1.048 109.771 108.800 -0.128 0.000 2.733 183 G HA2 0.615 4.575 3.960 -0.000 0.000 0.297 183 G HA3 0.615 4.575 3.960 -0.000 0.000 0.297 183 G C -0.861 173.794 174.900 -0.408 0.000 1.422 183 G CA -0.139 44.769 45.100 -0.320 0.000 0.942 183 G HN 0.929 nan 8.290 nan 0.000 0.510 184 S N 0.345 115.858 115.700 -0.313 0.000 2.617 184 S HA 0.686 5.156 4.470 -0.000 0.000 0.283 184 S C -0.822 173.644 174.600 -0.223 0.000 1.189 184 S CA -0.718 57.406 58.200 -0.126 0.000 1.036 184 S CB 1.422 64.602 63.200 -0.033 0.000 1.014 184 S HN 0.573 nan 8.310 nan 0.000 0.522 185 W N 2.499 123.814 121.300 0.024 0.000 2.453 185 W HA 0.383 5.043 4.660 -0.000 0.000 0.298 185 W C 0.252 176.781 176.519 0.016 0.000 0.983 185 W CA -0.792 56.568 57.345 0.025 0.000 1.600 185 W CB 1.178 30.659 29.460 0.034 0.000 1.430 185 W HN 0.767 nan 8.180 nan 0.000 0.422 196 E N 0.328 120.544 120.200 0.027 0.000 7.825 196 E HA -0.129 4.221 4.350 -0.000 0.000 0.465 196 E C -2.600 174.028 176.600 0.047 0.000 0.585 196 E CA -0.477 55.942 56.400 0.032 0.000 1.026 196 E CB 0.055 29.772 29.700 0.028 0.000 0.978 196 E HN 0.192 nan 8.360 nan 0.000 0.265 197 P HA 0.202 nan 4.420 nan 0.000 0.293 197 P C -0.899 176.464 177.300 0.105 0.000 1.298 197 P CA 0.087 63.236 63.100 0.082 0.000 0.757 197 P CB 0.458 32.196 31.700 0.064 0.000 1.262 198 E N -0.270 120.029 120.200 0.165 0.000 2.361 198 E HA 0.335 4.684 4.350 -0.000 0.000 0.270 198 E C -1.047 175.718 176.600 0.274 0.000 0.911 198 E CA -0.363 56.153 56.400 0.193 0.000 0.818 198 E CB 1.013 30.837 29.700 0.207 0.000 1.332 198 E HN 0.316 nan 8.360 nan 0.000 0.402 199 L N 4.414 125.746 121.223 0.180 0.000 2.257 199 L HA 0.521 4.861 4.340 -0.000 0.000 0.290 199 L C 0.055 177.038 176.870 0.189 0.000 1.044 199 L CA -0.428 54.517 54.840 0.176 0.000 0.810 199 L CB 0.567 42.682 42.059 0.094 0.000 1.193 199 L HN 0.365 nan 8.230 nan 0.000 0.425 200 R N 2.425 123.103 120.500 0.296 0.000 2.744 200 R HA 0.686 5.026 4.340 -0.000 0.000 0.279 200 R C -1.522 174.912 176.300 0.223 0.000 0.977 200 R CA -0.841 55.400 56.100 0.235 0.000 0.906 200 R CB 1.683 32.120 30.300 0.228 0.000 1.197 200 R HN 0.197 nan 8.270 nan 0.000 0.463 201 V N 4.135 124.126 119.914 0.129 0.000 2.555 201 V HA 0.157 4.277 4.120 -0.000 0.000 0.286 201 V C 0.481 176.655 176.094 0.134 0.000 1.044 201 V CA -0.498 61.865 62.300 0.105 0.000 1.026 201 V CB 0.930 32.782 31.823 0.049 0.000 0.981 201 V HN 0.596 nan 8.190 nan 0.000 0.480 202 L N 5.451 126.767 121.223 0.154 0.000 2.385 202 L HA 0.222 4.562 4.340 -0.000 0.000 0.281 202 L C 0.876 177.825 176.870 0.131 0.000 1.106 202 L CA 0.066 55.015 54.840 0.181 0.000 0.856 202 L CB 0.837 43.023 42.059 0.212 0.000 1.186 202 L HN 0.871 nan 8.230 nan 0.000 0.453 203 S N 1.019 116.780 115.700 0.103 0.000 2.549 203 S HA 0.098 4.568 4.470 -0.000 0.000 0.279 203 S C 1.192 175.837 174.600 0.075 0.000 1.321 203 S CA -0.637 57.596 58.200 0.055 0.000 1.054 203 S CB 1.330 64.559 63.200 0.049 0.000 0.899 203 S HN 0.644 nan 8.310 nan 0.000 0.497 204 T N 3.258 117.815 114.554 0.004 0.000 2.570 204 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 204 T C 1.492 176.246 174.700 0.091 0.000 1.071 204 T CA 2.185 64.320 62.100 0.059 0.000 1.172 204 T CB -0.889 67.941 68.868 -0.063 0.000 0.864 204 T HN 0.883 nan 8.240 nan 0.000 0.421 205 E N 0.743 120.974 120.200 0.053 0.000 2.312 205 E HA -0.273 4.077 4.350 -0.000 0.000 0.209 205 E C 2.117 178.764 176.600 0.078 0.000 1.047 205 E CA 1.524 57.959 56.400 0.058 0.000 0.840 205 E CB -0.166 29.561 29.700 0.044 0.000 0.738 205 E HN 0.641 nan 8.360 nan 0.000 0.478 206 E N 0.006 120.264 120.200 0.096 0.000 2.057 206 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 206 E C 2.041 178.736 176.600 0.159 0.000 0.969 206 E CA 0.197 56.665 56.400 0.113 0.000 0.812 206 E CB 0.199 29.964 29.700 0.109 0.000 0.777 206 E HN 0.064 nan 8.360 nan 0.000 0.455 207 I N 2.129 122.815 120.570 0.194 0.000 2.068 207 I HA -0.341 3.829 4.170 -0.000 0.000 0.238 207 I C 2.720 178.996 176.117 0.264 0.000 1.046 207 I CA 1.296 62.758 61.300 0.271 0.000 1.306 207 I CB -1.400 36.737 38.000 0.229 0.000 1.023 207 I HN 0.361 nan 8.210 nan 0.000 0.399 208 L N 0.934 122.210 121.223 0.088 0.000 2.010 208 L HA -0.342 3.998 4.340 -0.000 0.000 0.219 208 L C 2.573 179.526 176.870 0.139 0.000 1.077 208 L CA 2.242 57.100 54.840 0.031 0.000 0.773 208 L CB -0.536 41.544 42.059 0.034 0.000 0.892 208 L HN 0.399 nan 8.230 nan 0.000 0.436 209 N N 0.522 119.298 118.700 0.126 0.000 2.149 209 N HA -0.224 4.516 4.740 -0.000 0.000 0.188 209 N C 1.721 177.330 175.510 0.165 0.000 1.019 209 N CA 2.044 55.155 53.050 0.102 0.000 0.857 209 N CB -0.279 38.270 38.487 0.104 0.000 0.997 209 N HN 0.534 nan 8.380 nan 0.000 0.426 210 I N -0.457 120.259 120.570 0.245 0.000 3.001 210 I HA -0.137 4.032 4.170 -0.000 0.000 0.268 210 I C 1.224 177.437 176.117 0.160 0.000 1.267 210 I CA 0.344 61.770 61.300 0.210 0.000 1.472 210 I CB -0.199 37.905 38.000 0.174 0.000 1.089 210 I HN -0.024 nan 8.210 nan 0.000 0.468 211 F N 1.075 121.036 119.950 0.019 0.000 2.274 211 F HA 0.049 4.576 4.527 -0.000 0.000 0.288 211 F C 2.403 178.195 175.800 -0.013 0.000 1.069 211 F CA 0.774 58.769 58.000 -0.009 0.000 1.343 211 F CB -0.548 38.422 39.000 -0.051 0.000 1.089 211 F HN -0.222 nan 8.300 nan 0.000 0.517 212 K N -0.475 119.998 120.400 0.123 0.000 2.089 212 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 212 K C 1.841 178.401 176.600 -0.068 0.000 1.048 212 K CA 1.634 57.901 56.287 -0.033 0.000 0.926 212 K CB -0.333 32.076 32.500 -0.153 0.000 0.714 212 K HN 0.290 nan 8.250 nan 0.000 0.448 213 H N 0.122 119.198 119.070 0.009 0.000 2.529 213 H HA 0.091 4.647 4.556 -0.000 0.000 0.277 213 H C 0.601 175.859 175.328 -0.116 0.000 0.999 213 H CA 0.369 56.390 56.048 -0.044 0.000 1.256 213 H CB -0.152 29.595 29.762 -0.024 0.000 1.402 213 H HN 0.105 nan 8.280 nan 0.000 0.566 214 I N 2.131 122.683 120.570 -0.031 0.000 2.775 214 I HA -0.131 4.039 4.170 -0.000 0.000 0.290 214 I C 1.119 177.003 176.117 -0.388 0.000 1.203 214 I CA 0.135 61.330 61.300 -0.175 0.000 1.433 214 I CB 0.470 38.358 38.000 -0.188 0.000 1.354 214 I HN 0.138 nan 8.210 nan 0.000 0.579 215 S N 5.197 120.686 115.700 -0.353 0.000 2.573 215 S HA 0.069 4.538 4.470 -0.000 0.000 0.277 215 S C 1.123 175.285 174.600 -0.730 0.000 1.346 215 S CA -0.850 57.101 58.200 -0.415 0.000 1.034 215 S CB 1.359 64.418 63.200 -0.234 0.000 0.879 215 S HN 0.400 nan 8.310 nan 0.000 0.528 216 V N 3.583 123.122 119.914 -0.625 0.000 2.343 216 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 216 V C 2.590 178.523 176.094 -0.269 0.000 1.051 216 V CA 2.017 63.964 62.300 -0.589 0.000 1.036 216 V CB -0.850 30.829 31.823 -0.240 0.000 0.654 216 V HN 0.906 nan 8.190 nan 0.000 0.451 217 K N -0.581 119.714 120.400 -0.175 0.000 2.432 217 K HA -0.083 4.237 4.320 -0.000 0.000 0.196 217 K C 1.588 178.159 176.600 -0.047 0.000 1.038 217 K CA 0.684 56.931 56.287 -0.067 0.000 0.986 217 K CB -0.060 32.407 32.500 -0.055 0.000 0.782 217 K HN 0.479 nan 8.250 nan 0.000 0.485 218 D N 0.346 120.669 120.400 -0.129 0.000 2.162 218 D HA -0.050 4.589 4.640 -0.000 0.000 0.205 218 D C 1.643 177.973 176.300 0.049 0.000 0.964 218 D CA 0.766 54.721 54.000 -0.075 0.000 0.847 218 D CB -0.151 40.555 40.800 -0.158 0.000 0.988 218 D HN 0.092 nan 8.370 nan 0.000 0.480 219 F N 1.516 121.425 119.950 -0.069 0.000 2.008 219 F HA -0.308 4.219 4.527 -0.000 0.000 0.297 219 F C 2.716 178.575 175.800 0.098 0.000 1.156 219 F CA 1.243 59.192 58.000 -0.085 0.000 1.191 219 F CB -0.839 38.119 39.000 -0.071 0.000 0.955 219 F HN -0.059 nan 8.300 nan 0.000 0.497 220 T N 0.304 115.065 114.554 0.345 0.000 2.602 220 T HA -0.336 4.014 4.350 -0.000 0.000 0.264 220 T C 1.956 176.770 174.700 0.189 0.000 1.085 220 T CA 2.434 64.667 62.100 0.223 0.000 1.164 220 T CB -0.884 68.066 68.868 0.136 0.000 0.860 220 T HN 0.405 nan 8.240 nan 0.000 0.442 221 S N 1.443 117.231 115.700 0.146 0.000 2.380 221 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 221 S C 0.982 175.704 174.600 0.204 0.000 1.043 221 S CA 0.801 59.080 58.200 0.131 0.000 1.038 221 S CB -0.717 62.534 63.200 0.085 0.000 0.872 221 S HN 0.415 nan 8.310 nan 0.000 0.456 222 L N 1.811 123.211 121.223 0.294 0.000 2.350 222 L HA 0.421 4.761 4.340 -0.000 0.000 0.275 222 L C 1.172 178.297 176.870 0.426 0.000 1.099 222 L CA -0.512 54.611 54.840 0.472 0.000 0.808 222 L CB 0.461 42.874 42.059 0.590 0.000 1.149 222 L HN 0.337 nan 8.230 nan 0.000 0.442 223 G N 2.992 111.928 108.800 0.227 0.000 2.467 223 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.283 223 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.283 223 G C -0.369 174.286 174.900 -0.407 0.000 0.615 223 G CA 0.307 45.334 45.100 -0.122 0.000 2.098 223 G HN 0.294 nan 8.290 nan 0.000 0.546 224 F N -0.746 119.183 119.950 -0.034 0.000 2.876 224 F HA 0.591 5.118 4.527 -0.000 0.000 0.358 224 F C 0.157 175.948 175.800 -0.016 0.000 1.209 224 F CA -1.408 56.558 58.000 -0.057 0.000 1.051 224 F CB 2.042 40.991 39.000 -0.084 0.000 1.474 224 F HN 0.162 nan 8.300 nan 0.000 0.521 225 N N -0.052 118.778 118.700 0.215 0.000 2.699 225 N HA 0.089 4.829 4.740 -0.000 0.000 0.271 225 N C 0.068 175.608 175.510 0.051 0.000 1.216 225 N CA -0.113 52.994 53.050 0.096 0.000 0.844 225 N CB 0.928 39.440 38.487 0.041 0.000 1.462 225 N HN 0.663 nan 8.380 nan 0.000 0.555 226 E N 1.682 121.933 120.200 0.085 0.000 2.312 226 E HA -0.270 4.080 4.350 -0.000 0.000 0.209 226 E C 0.391 177.033 176.600 0.071 0.000 1.047 226 E CA 2.007 58.476 56.400 0.116 0.000 0.840 226 E CB 0.231 30.032 29.700 0.169 0.000 0.738 226 E HN 0.500 nan 8.360 nan 0.000 0.478 227 V N -0.940 118.939 119.914 -0.058 0.000 2.521 227 V HA -0.044 4.075 4.120 -0.000 0.000 0.239 227 V C 1.835 177.986 176.094 0.094 0.000 1.053 227 V CA 1.259 63.493 62.300 -0.111 0.000 1.073 227 V CB -0.432 31.057 31.823 -0.556 0.000 0.746 227 V HN 0.256 nan 8.190 nan 0.000 0.476 228 F N 1.051 121.067 119.950 0.111 0.000 2.530 228 F HA 0.180 4.707 4.527 -0.000 0.000 0.292 228 F C 0.974 176.819 175.800 0.076 0.000 1.109 228 F CA 0.469 58.477 58.000 0.013 0.000 1.450 228 F CB 0.372 39.359 39.000 -0.023 0.000 1.114 228 F HN 0.267 nan 8.300 nan 0.000 0.560 229 S N 0.439 116.386 115.700 0.411 0.000 2.423 229 S HA 0.433 4.903 4.470 -0.000 0.000 0.213 229 S C -0.854 173.972 174.600 0.377 0.000 1.131 229 S CA -0.871 57.613 58.200 0.473 0.000 1.155 229 S CB 0.732 64.080 63.200 0.246 0.000 1.202 229 S HN 0.095 nan 8.310 nan 0.000 0.441 230 R N 2.745 123.345 120.500 0.167 0.000 2.265 230 R HA 0.368 4.708 4.340 -0.000 0.000 0.319 230 R C -2.042 173.901 176.300 -0.595 0.000 1.006 230 R CA -2.289 53.267 56.100 -0.907 0.000 0.880 230 R CB 0.731 30.077 30.300 -1.590 0.000 1.077 230 R HN 0.290 nan 8.270 nan 0.000 0.454 231 P HA -0.313 nan 4.420 nan 0.000 0.222 231 P C 0.584 177.838 177.300 -0.077 0.000 1.154 231 P CA 1.509 64.375 63.100 -0.390 0.000 0.874 231 P CB 0.085 31.458 31.700 -0.545 0.000 0.787 232 E N -2.149 117.923 120.200 -0.213 0.000 2.533 232 E HA -0.180 4.170 4.350 -0.000 0.000 0.203 232 E C 0.718 177.192 176.600 -0.210 0.000 1.101 232 E CA 0.481 56.753 56.400 -0.214 0.000 0.894 232 E CB -0.799 28.723 29.700 -0.297 0.000 0.843 232 E HN 0.401 nan 8.360 nan 0.000 0.552 233 W N -0.177 121.107 121.300 -0.027 0.000 2.871 233 W HA 0.349 5.009 4.660 -0.000 0.000 0.340 233 W C 1.428 177.977 176.519 0.050 0.000 1.058 233 W CA -0.432 56.923 57.345 0.016 0.000 1.633 233 W CB -0.025 29.454 29.460 0.030 0.000 1.067 233 W HN 0.123 nan 8.180 nan 0.000 0.554 234 M N 0.012 119.749 119.600 0.228 0.000 2.557 234 M HA 0.022 4.502 4.480 -0.000 0.000 0.259 234 M C 0.390 176.814 176.300 0.206 0.000 1.086 234 M CA 1.283 56.770 55.300 0.311 0.000 1.096 234 M CB 0.007 32.671 32.600 0.106 0.000 1.424 234 M HN -0.334 nan 8.290 nan 0.000 0.488 235 I N 1.654 122.288 120.570 0.108 0.000 2.339 235 I HA 0.241 4.411 4.170 -0.000 0.000 0.290 235 I C -0.522 175.687 176.117 0.154 0.000 0.994 235 I CA -0.617 60.761 61.300 0.129 0.000 1.191 235 I CB 1.316 39.347 38.000 0.051 0.000 1.343 235 I HN 0.030 nan 8.210 nan 0.000 0.458 236 L N 6.337 127.655 121.223 0.157 0.000 2.319 236 L HA 0.348 4.688 4.340 -0.000 0.000 0.280 236 L C 0.692 177.629 176.870 0.112 0.000 1.099 236 L CA -0.112 54.804 54.840 0.128 0.000 0.828 236 L CB 0.694 42.823 42.059 0.117 0.000 1.150 236 L HN 0.656 nan 8.230 nan 0.000 0.442 237 T N 0.106 114.727 114.554 0.111 0.000 3.114 237 T HA 0.030 4.380 4.350 -0.000 0.000 0.240 237 T C 0.338 175.081 174.700 0.073 0.000 0.983 237 T CA 0.155 62.311 62.100 0.093 0.000 1.151 237 T CB 0.338 69.273 68.868 0.112 0.000 0.974 237 T HN 0.608 nan 8.240 nan 0.000 0.442 238 C N 2.584 121.934 119.300 0.083 0.000 2.355 238 C HA 0.815 5.274 4.460 -0.000 0.000 0.332 238 C C -0.811 174.204 174.990 0.042 0.000 1.255 238 C CA -1.119 57.940 59.018 0.068 0.000 1.792 238 C CB -0.195 27.615 27.740 0.117 0.000 2.300 238 C HN 0.459 nan 8.230 nan 0.000 0.515 239 L N 8.815 130.049 121.223 0.018 0.000 2.305 239 L HA 0.603 4.943 4.340 -0.000 0.000 0.284 239 L C -2.116 174.779 176.870 0.042 0.000 1.013 239 L CA -1.966 52.886 54.840 0.021 0.000 0.819 239 L CB 1.672 43.728 42.059 -0.005 0.000 1.227 239 L HN 0.524 nan 8.230 nan 0.000 0.417 240 P HA 0.038 nan 4.420 nan 0.000 0.271 240 P C -0.921 176.537 177.300 0.262 0.000 1.226 240 P CA 0.003 63.188 63.100 0.141 0.000 0.765 240 P CB 0.970 32.664 31.700 -0.009 0.000 0.835 241 V N 6.676 126.729 119.914 0.233 0.000 2.257 241 V HA 0.192 4.312 4.120 -0.000 0.000 0.269 241 V C -1.751 174.176 176.094 -0.279 0.000 1.040 241 V CA -2.106 60.216 62.300 0.036 0.000 0.813 241 V CB 0.917 32.744 31.823 0.006 0.000 1.065 241 V HN 0.543 nan 8.190 nan 0.000 0.457 242 P HA 0.067 nan 4.420 nan 0.000 0.261 242 P C -2.495 174.484 177.300 -0.536 0.000 1.173 242 P CA -0.546 62.017 63.100 -0.895 0.000 0.760 242 P CB 0.224 31.732 31.700 -0.320 0.000 0.783 243 P HA 0.127 nan 4.420 nan 0.000 0.274 243 P C -1.700 175.492 177.300 -0.181 0.000 1.246 243 P CA -1.670 61.267 63.100 -0.272 0.000 0.795 243 P CB -0.319 31.247 31.700 -0.223 0.000 1.006 244 P HA -0.210 nan 4.420 nan 0.000 0.218 244 P C -1.179 176.073 177.300 -0.081 0.000 1.132 244 P CA 2.962 66.013 63.100 -0.082 0.000 0.968 244 P CB -2.475 29.190 31.700 -0.059 0.000 0.783 245 P HA -0.118 nan 4.420 nan 0.000 0.222 245 P C 1.444 178.706 177.300 -0.063 0.000 1.139 245 P CA 1.130 64.192 63.100 -0.064 0.000 0.790 245 P CB -0.491 31.173 31.700 -0.060 0.000 0.757 246 V N -1.025 118.841 119.914 -0.080 0.000 3.125 246 V HA 0.017 4.137 4.120 -0.000 0.000 0.249 246 V C 1.352 177.409 176.094 -0.061 0.000 1.113 246 V CA 0.914 63.174 62.300 -0.067 0.000 1.106 246 V CB -0.685 31.087 31.823 -0.085 0.000 0.768 246 V HN 0.211 nan 8.190 nan 0.000 0.468 247 R N 0.977 121.436 120.500 -0.067 0.000 2.674 247 R HA 0.359 4.699 4.340 -0.000 0.000 0.270 247 R C -3.022 173.234 176.300 -0.073 0.000 1.492 247 R CA -1.305 54.757 56.100 -0.062 0.000 1.624 247 R CB 0.253 30.527 30.300 -0.043 0.000 1.307 247 R HN 0.227 nan 8.270 nan 0.000 0.683 248 P HA -0.012 nan 4.420 nan 0.000 0.280 248 P C -0.086 177.157 177.300 -0.095 0.000 1.278 248 P CA 0.046 63.100 63.100 -0.076 0.000 0.787 248 P CB 0.966 32.626 31.700 -0.068 0.000 1.163 249 S N -0.758 114.880 115.700 -0.103 0.000 2.589 249 S HA 0.702 5.172 4.470 -0.000 0.000 0.272 249 S C 0.099 174.603 174.600 -0.159 0.000 1.096 249 S CA -0.730 57.388 58.200 -0.136 0.000 0.985 249 S CB 0.413 63.533 63.200 -0.133 0.000 1.278 249 S HN 0.448 nan 8.310 nan 0.000 0.528 250 I N 1.523 121.952 120.570 -0.235 0.000 2.564 250 I HA 0.119 4.288 4.170 -0.000 0.000 0.263 250 I C -1.062 174.714 176.117 -0.567 0.000 1.298 250 I CA -0.246 60.870 61.300 -0.308 0.000 1.157 250 I CB 1.688 39.530 38.000 -0.264 0.000 1.461 250 I HN 0.710 nan 8.210 nan 0.000 0.463 251 S N 4.155 119.619 115.700 -0.393 0.000 2.411 251 S HA 0.474 4.944 4.470 -0.000 0.000 0.294 251 S C -0.065 174.358 174.600 -0.294 0.000 1.115 251 S CA -0.512 57.456 58.200 -0.387 0.000 1.071 251 S CB -0.086 63.006 63.200 -0.181 0.000 0.967 251 S HN 0.420 nan 8.310 nan 0.000 0.488 252 F N 3.884 123.830 119.950 -0.007 0.000 2.727 252 F HA 0.229 4.756 4.527 -0.000 0.000 0.349 252 F C 1.339 177.137 175.800 -0.003 0.000 1.172 252 F CA -0.596 57.401 58.000 -0.005 0.000 1.355 252 F CB -1.168 37.830 39.000 -0.004 0.000 1.546 252 F HN 0.707 nan 8.300 nan 0.000 0.596 253 N N -0.202 118.548 118.700 0.083 0.000 3.651 253 N HA -0.219 4.521 4.740 -0.000 0.000 0.236 253 N C 0.783 176.304 175.510 0.019 0.000 0.234 253 N CA 1.288 54.368 53.050 0.050 0.000 3.447 253 N CB -0.603 37.926 38.487 0.069 0.000 1.309 253 N HN 0.425 nan 8.380 nan 0.000 0.255 254 E N 0.211 120.430 120.200 0.031 0.000 3.339 254 E HA 0.160 4.510 4.350 -0.000 0.000 0.226 254 E C -0.259 176.354 176.600 0.022 0.000 1.165 254 E CA 0.411 56.819 56.400 0.014 0.000 0.883 254 E CB 0.006 29.713 29.700 0.013 0.000 3.249 254 E HN 0.337 nan 8.360 nan 0.000 0.568 255 S N 1.971 117.689 115.700 0.030 0.000 3.605 255 S HA -0.001 4.468 4.470 -0.000 0.000 0.200 255 S C 0.015 174.650 174.600 0.058 0.000 0.975 255 S CA 0.388 58.609 58.200 0.035 0.000 1.214 255 S CB -0.483 62.736 63.200 0.031 0.000 1.557 255 S HN 0.233 nan 8.310 nan 0.000 0.516 256 Q N 0.452 120.288 119.800 0.061 0.000 2.816 256 Q HA 0.526 4.866 4.340 -0.000 0.000 0.351 256 Q C -0.294 175.736 176.000 0.051 0.000 0.761 256 Q CA -1.224 54.643 55.803 0.106 0.000 0.852 256 Q CB 1.240 30.119 28.738 0.235 0.000 1.280 256 Q HN 0.471 nan 8.270 nan 0.000 0.513 257 R N -1.314 119.224 120.500 0.063 0.000 3.287 257 R HA 0.771 5.111 4.340 -0.000 0.000 0.221 257 R C -0.128 176.043 176.300 -0.216 0.000 1.684 257 R CA -0.084 56.006 56.100 -0.016 0.000 0.976 257 R CB 0.857 31.201 30.300 0.074 0.000 2.102 257 R HN 0.813 nan 8.270 nan 0.000 0.541 258 G N 0.356 109.052 108.800 -0.173 0.000 2.731 258 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.219 258 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.219 258 G C -0.505 174.270 174.900 -0.208 0.000 0.989 258 G CA -0.581 44.347 45.100 -0.287 0.000 0.871 258 G HN 0.222 nan 8.290 nan 0.000 0.591 259 E N 1.338 121.434 120.200 -0.173 0.000 2.437 259 E HA 0.150 4.500 4.350 -0.000 0.000 0.263 259 E C -0.063 176.335 176.600 -0.338 0.000 1.030 259 E CA -0.028 56.242 56.400 -0.217 0.000 0.934 259 E CB 0.995 30.597 29.700 -0.163 0.000 0.943 259 E HN 0.390 nan 8.360 nan 0.000 0.444 260 D N 1.387 121.626 120.400 -0.267 0.000 2.313 260 D HA -0.014 4.626 4.640 -0.000 0.000 0.247 260 D C 0.337 176.435 176.300 -0.337 0.000 1.094 260 D CA -0.278 53.574 54.000 -0.247 0.000 0.925 260 D CB 0.898 41.613 40.800 -0.141 0.000 1.188 260 D HN 0.219 nan 8.370 nan 0.000 0.430 261 D N 1.647 121.889 120.400 -0.264 0.000 2.157 261 D HA -0.203 4.437 4.640 -0.000 0.000 0.191 261 D C 1.940 178.208 176.300 -0.054 0.000 1.004 261 D CA 1.318 55.200 54.000 -0.197 0.000 0.854 261 D CB 0.097 40.850 40.800 -0.079 0.000 0.936 261 D HN 0.369 nan 8.370 nan 0.000 0.446 262 L N 0.208 121.423 121.223 -0.013 0.000 1.970 262 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 262 L C 2.389 179.336 176.870 0.129 0.000 1.071 262 L CA 1.505 56.405 54.840 0.099 0.000 0.751 262 L CB -0.800 41.307 42.059 0.081 0.000 0.889 262 L HN 0.111 nan 8.230 nan 0.000 0.432 263 T N -0.360 114.225 114.554 0.051 0.000 2.882 263 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 263 T C 1.478 176.331 174.700 0.255 0.000 1.104 263 T CA 1.480 63.632 62.100 0.087 0.000 1.118 263 T CB -0.360 68.518 68.868 0.018 0.000 0.831 263 T HN 0.251 nan 8.240 nan 0.000 0.529 264 F N 0.635 120.586 119.950 0.002 0.000 2.164 264 F HA 0.024 4.550 4.527 -0.000 0.000 0.287 264 F C 2.380 178.151 175.800 -0.049 0.000 1.086 264 F CA 0.245 58.235 58.000 -0.017 0.000 1.249 264 F CB 0.025 39.021 39.000 -0.007 0.000 1.059 264 F HN -0.056 nan 8.300 nan 0.000 0.490 265 K N 0.963 121.474 120.400 0.184 0.000 2.160 265 K HA -0.177 4.142 4.320 -0.000 0.000 0.206 265 K C 1.752 178.296 176.600 -0.095 0.000 1.047 265 K CA 1.045 57.346 56.287 0.022 0.000 0.930 265 K CB -0.728 31.877 32.500 0.174 0.000 0.720 265 K HN 0.259 nan 8.250 nan 0.000 0.450 266 L N -0.159 121.027 121.223 -0.061 0.000 1.961 266 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 266 L C 2.402 179.219 176.870 -0.088 0.000 1.072 266 L CA 1.528 56.274 54.840 -0.156 0.000 0.749 266 L CB -0.919 41.089 42.059 -0.085 0.000 0.889 266 L HN 0.237 nan 8.230 nan 0.000 0.432 267 A N 0.060 122.867 122.820 -0.021 0.000 1.896 267 A HA -0.329 3.991 4.320 -0.000 0.000 0.220 267 A C 1.986 179.524 177.584 -0.076 0.000 1.206 267 A CA 2.517 54.533 52.037 -0.034 0.000 0.647 267 A CB -0.816 18.165 19.000 -0.032 0.000 0.828 267 A HN 0.466 nan 8.150 nan 0.000 0.455 268 D N -0.425 119.894 120.400 -0.135 0.000 2.097 268 D HA -0.096 4.544 4.640 -0.000 0.000 0.195 268 D C 1.978 178.257 176.300 -0.036 0.000 0.989 268 D CA 1.254 55.145 54.000 -0.181 0.000 0.827 268 D CB -0.320 40.137 40.800 -0.571 0.000 0.966 268 D HN 0.525 nan 8.370 nan 0.000 0.456 269 I N 0.733 121.252 120.570 -0.085 0.000 2.208 269 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 269 I C 2.376 178.505 176.117 0.020 0.000 1.097 269 I CA 0.493 61.813 61.300 0.032 0.000 1.363 269 I CB -0.118 37.821 38.000 -0.101 0.000 1.051 269 I HN 0.063 nan 8.210 nan 0.000 0.413 270 L N 1.179 122.384 121.223 -0.030 0.000 1.994 270 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 270 L C 2.397 179.263 176.870 -0.006 0.000 1.071 270 L CA 1.931 56.755 54.840 -0.026 0.000 0.745 270 L CB -0.972 41.069 42.059 -0.029 0.000 0.892 270 L HN 0.110 nan 8.230 nan 0.000 0.431 271 K N -0.345 120.056 120.400 0.001 0.000 2.000 271 K HA -0.212 4.108 4.320 -0.000 0.000 0.218 271 K C 1.949 178.562 176.600 0.021 0.000 1.053 271 K CA 1.912 58.202 56.287 0.005 0.000 0.946 271 K CB -0.686 31.820 32.500 0.011 0.000 0.723 271 K HN 0.468 nan 8.250 nan 0.000 0.446 272 A N 1.228 124.091 122.820 0.071 0.000 2.194 272 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 272 A C 1.773 179.373 177.584 0.027 0.000 1.162 272 A CA 2.053 54.125 52.037 0.059 0.000 0.674 272 A CB -0.685 18.391 19.000 0.127 0.000 0.789 272 A HN 0.409 nan 8.150 nan 0.000 0.470 273 N N -0.290 118.422 118.700 0.020 0.000 2.240 273 N HA 0.041 4.781 4.740 -0.000 0.000 0.187 273 N C 1.517 177.021 175.510 -0.010 0.000 1.042 273 N CA 1.165 54.216 53.050 0.002 0.000 0.861 273 N CB -0.260 38.222 38.487 -0.009 0.000 1.026 273 N HN 0.364 nan 8.380 nan 0.000 0.441 274 I N 0.727 121.285 120.570 -0.020 0.000 2.145 274 I HA -0.345 3.825 4.170 -0.000 0.000 0.244 274 I C 2.331 178.435 176.117 -0.022 0.000 1.075 274 I CA 1.633 62.915 61.300 -0.030 0.000 1.332 274 I CB -0.657 37.313 38.000 -0.050 0.000 1.033 274 I HN 0.345 nan 8.210 nan 0.000 0.410 275 S N 1.253 116.942 115.700 -0.020 0.000 2.383 275 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 275 S C 2.015 176.605 174.600 -0.017 0.000 1.030 275 S CA 1.292 59.480 58.200 -0.020 0.000 1.002 275 S CB -0.871 62.316 63.200 -0.021 0.000 0.829 275 S HN 0.404 nan 8.310 nan 0.000 0.467 276 L N 2.097 123.311 121.223 -0.014 0.000 1.976 276 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 276 L C 2.780 179.645 176.870 -0.008 0.000 1.071 276 L CA 2.548 57.380 54.840 -0.013 0.000 0.746 276 L CB -0.902 41.151 42.059 -0.010 0.000 0.890 276 L HN 0.548 nan 8.230 nan 0.000 0.432 277 E N -1.047 119.154 120.200 0.002 0.000 2.086 277 E HA -0.284 4.066 4.350 -0.000 0.000 0.200 277 E C 1.627 178.252 176.600 0.041 0.000 1.012 277 E CA 2.037 58.453 56.400 0.026 0.000 0.812 277 E CB -0.304 29.416 29.700 0.034 0.000 0.743 277 E HN 0.554 nan 8.360 nan 0.000 0.453 278 T N 1.065 115.631 114.554 0.020 0.000 3.219 278 T HA -0.021 4.329 4.350 -0.000 0.000 0.264 278 T C 1.337 176.042 174.700 0.008 0.000 1.178 278 T CA 0.432 62.544 62.100 0.019 0.000 1.057 278 T CB -0.023 68.840 68.868 -0.008 0.000 0.919 278 T HN 0.209 nan 8.240 nan 0.000 0.545 279 L N -0.366 120.853 121.223 -0.006 0.000 2.672 279 L HA 0.254 4.593 4.340 -0.000 0.000 0.236 279 L C 1.907 178.742 176.870 -0.058 0.000 1.092 279 L CA 0.503 55.325 54.840 -0.031 0.000 0.887 279 L CB 0.134 42.172 42.059 -0.035 0.000 1.168 279 L HN 0.254 nan 8.230 nan 0.000 0.502 280 E N -1.005 119.154 120.200 -0.069 0.000 2.479 280 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 280 E C 0.503 176.934 176.600 -0.282 0.000 1.049 280 E CA 0.263 56.565 56.400 -0.163 0.000 0.870 280 E CB 0.440 30.035 29.700 -0.174 0.000 0.944 280 E HN 0.378 nan 8.360 nan 0.000 0.492 281 H N -0.046 119.001 119.070 -0.038 0.000 2.575 281 H HA 0.365 4.921 4.556 -0.000 0.000 0.256 281 H C -0.201 175.103 175.328 -0.040 0.000 1.162 281 H CA -0.089 55.938 56.048 -0.035 0.000 0.969 281 H CB 0.362 30.106 29.762 -0.030 0.000 1.796 281 H HN 0.033 nan 8.280 nan 0.000 0.607 282 N N -1.077 117.637 118.700 0.025 0.000 3.449 282 N HA 0.085 4.825 4.740 -0.000 0.000 0.312 282 N C 0.160 175.643 175.510 -0.045 0.000 1.582 282 N CA -0.407 52.642 53.050 -0.002 0.000 0.850 282 N CB 0.584 39.071 38.487 -0.000 0.000 1.822 282 N HN 0.195 nan 8.380 nan 0.000 0.577 283 G N 0.515 109.287 108.800 -0.046 0.000 2.577 283 G HA2 0.292 4.251 3.960 -0.000 0.000 0.290 283 G HA3 0.292 4.251 3.960 -0.000 0.000 0.290 283 G C 0.103 174.947 174.900 -0.092 0.000 0.703 283 G CA 0.262 45.321 45.100 -0.067 0.000 2.032 283 G HN 0.552 nan 8.290 nan 0.000 0.508 284 A N 5.329 128.066 122.820 -0.137 0.000 2.805 284 A HA 0.484 4.804 4.320 -0.000 0.000 0.301 284 A C -1.238 176.197 177.584 -0.248 0.000 1.557 284 A CA -1.346 50.584 52.037 -0.179 0.000 1.254 284 A CB 0.287 19.159 19.000 -0.215 0.000 1.114 284 A HN 0.492 nan 8.150 nan 0.000 0.553 285 P HA -0.008 nan 4.420 nan 0.000 0.235 285 P C 0.718 177.953 177.300 -0.107 0.000 1.765 285 P CA 0.041 63.063 63.100 -0.130 0.000 1.034 285 P CB -0.327 31.337 31.700 -0.061 0.000 1.984 286 H N 1.618 120.589 119.070 -0.164 0.000 1.454 286 H HA -0.247 4.309 4.556 -0.000 0.000 0.090 286 H C 0.660 175.842 175.328 -0.242 0.000 1.236 286 H CA 2.242 58.106 56.048 -0.305 0.000 1.900 286 H CB -1.256 28.157 29.762 -0.582 0.000 2.256 286 H HN 0.610 nan 8.280 nan 0.000 0.961 287 H N -0.247 118.908 119.070 0.142 0.000 2.550 287 H HA 0.566 5.122 4.556 -0.000 0.000 0.304 287 H C 0.889 176.237 175.328 0.034 0.000 1.086 287 H CA 0.664 56.751 56.048 0.065 0.000 1.089 287 H CB 0.077 29.867 29.762 0.046 0.000 1.528 287 H HN 0.457 nan 8.280 nan 0.000 0.539 288 A N -0.003 122.871 122.820 0.089 0.000 2.545 288 A HA 0.275 4.595 4.320 -0.000 0.000 0.263 288 A C 1.609 179.205 177.584 0.020 0.000 1.202 288 A CA -0.164 51.899 52.037 0.043 0.000 0.959 288 A CB 0.180 19.189 19.000 0.015 0.000 1.124 288 A HN 0.275 nan 8.150 nan 0.000 0.543 289 I N -0.034 120.556 120.570 0.034 0.000 2.729 289 I HA -0.071 4.099 4.170 -0.000 0.000 0.256 289 I C 2.087 178.217 176.117 0.020 0.000 1.115 289 I CA 0.858 62.167 61.300 0.015 0.000 1.446 289 I CB 0.031 38.038 38.000 0.012 0.000 1.176 289 I HN 0.515 nan 8.210 nan 0.000 0.446 290 E N 1.125 121.354 120.200 0.049 0.000 2.510 290 E HA -0.207 4.143 4.350 -0.000 0.000 0.202 290 E C 1.085 177.691 176.600 0.010 0.000 1.072 290 E CA 0.761 57.180 56.400 0.031 0.000 0.883 290 E CB -0.259 29.471 29.700 0.049 0.000 0.818 290 E HN 0.584 nan 8.360 nan 0.000 0.548 291 E N 0.308 120.513 120.200 0.008 0.000 2.400 291 E HA 0.104 4.454 4.350 -0.000 0.000 0.195 291 E C 1.427 178.010 176.600 -0.030 0.000 1.012 291 E CA 0.551 56.946 56.400 -0.008 0.000 0.875 291 E CB 0.461 30.160 29.700 -0.002 0.000 0.859 291 E HN 0.365 nan 8.360 nan 0.000 0.498 292 A N 0.586 123.390 122.820 -0.027 0.000 2.469 292 A HA 0.077 4.397 4.320 -0.000 0.000 0.245 292 A C 1.626 179.187 177.584 -0.037 0.000 1.221 292 A CA -0.226 51.786 52.037 -0.043 0.000 0.946 292 A CB 0.290 19.268 19.000 -0.036 0.000 1.049 292 A HN 0.060 nan 8.150 nan 0.000 0.529 293 E N 0.684 120.869 120.200 -0.026 0.000 2.276 293 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 293 E C 1.696 178.279 176.600 -0.028 0.000 0.983 293 E CA 1.130 57.516 56.400 -0.023 0.000 0.861 293 E CB 0.151 29.840 29.700 -0.017 0.000 0.817 293 E HN 0.625 nan 8.360 nan 0.000 0.485 294 S N 0.611 116.293 115.700 -0.029 0.000 2.453 294 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 294 S C 1.970 176.573 174.600 0.005 0.000 1.005 294 S CA 0.380 58.571 58.200 -0.015 0.000 0.949 294 S CB -0.157 63.036 63.200 -0.013 0.000 0.774 294 S HN 0.236 nan 8.310 nan 0.000 0.510 295 L N 0.734 121.925 121.223 -0.054 0.000 2.056 295 L HA 0.223 4.563 4.340 -0.000 0.000 0.207 295 L C 2.155 178.985 176.870 -0.067 0.000 1.078 295 L CA 1.305 56.061 54.840 -0.139 0.000 0.749 295 L CB -0.717 41.220 42.059 -0.204 0.000 0.901 295 L HN 0.336 nan 8.230 nan 0.000 0.433 296 L N -0.517 120.701 121.223 -0.009 0.000 2.056 296 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 296 L C 2.585 179.505 176.870 0.084 0.000 1.078 296 L CA 1.926 56.797 54.840 0.050 0.000 0.749 296 L CB -0.738 41.336 42.059 0.026 0.000 0.901 296 L HN 0.491 nan 8.230 nan 0.000 0.433 297 Q N -0.955 118.874 119.800 0.048 0.000 2.135 297 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 297 Q C 1.980 178.033 176.000 0.088 0.000 0.981 297 Q CA 2.088 57.911 55.803 0.034 0.000 0.856 297 Q CB -0.619 28.095 28.738 -0.040 0.000 0.902 297 Q HN 0.524 nan 8.270 nan 0.000 0.425 298 F N -0.021 119.916 119.950 -0.022 0.000 1.983 298 F HA -0.190 4.337 4.527 -0.000 0.000 0.295 298 F C 2.106 177.969 175.800 0.106 0.000 1.197 298 F CA 2.303 60.305 58.000 0.005 0.000 1.165 298 F CB -0.845 38.105 39.000 -0.082 0.000 0.970 298 F HN 0.235 nan 8.300 nan 0.000 0.488 299 H N -0.572 118.789 119.070 0.484 0.000 2.266 299 H HA -0.281 4.275 4.556 -0.000 0.000 0.286 299 H C 2.173 177.557 175.328 0.094 0.000 1.102 299 H CA 2.001 58.225 56.048 0.293 0.000 1.182 299 H CB -0.737 29.169 29.762 0.239 0.000 1.345 299 H HN 0.237 nan 8.280 nan 0.000 0.485 300 V N 0.672 120.714 119.914 0.214 0.000 2.546 300 V HA -0.315 3.805 4.120 -0.000 0.000 0.254 300 V C 2.472 178.656 176.094 0.150 0.000 1.076 300 V CA 1.551 63.936 62.300 0.142 0.000 1.087 300 V CB -0.887 30.998 31.823 0.103 0.000 0.674 300 V HN 0.561 nan 8.190 nan 0.000 0.470 301 A N -0.951 121.899 122.820 0.049 0.000 1.855 301 A HA -0.156 4.164 4.320 -0.000 0.000 0.213 301 A C 2.403 179.947 177.584 -0.067 0.000 1.195 301 A CA 2.004 54.023 52.037 -0.031 0.000 0.610 301 A CB -1.025 17.916 19.000 -0.099 0.000 0.837 301 A HN 0.391 nan 8.150 nan 0.000 0.444 302 T N -1.232 113.216 114.554 -0.176 0.000 2.665 302 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 302 T C 1.735 176.450 174.700 0.026 0.000 1.035 302 T CA 2.110 64.113 62.100 -0.162 0.000 1.151 302 T CB -0.517 68.177 68.868 -0.290 0.000 0.862 302 T HN 0.592 nan 8.240 nan 0.000 0.438 303 Y N 0.580 120.863 120.300 -0.029 0.000 2.283 303 Y HA -0.185 4.365 4.550 -0.000 0.000 0.285 303 Y C 1.937 177.841 175.900 0.006 0.000 1.176 303 Y CA 1.518 59.620 58.100 0.003 0.000 1.229 303 Y CB -0.283 38.191 38.460 0.023 0.000 0.975 303 Y HN 0.287 nan 8.280 nan 0.000 0.537 304 M N -1.256 118.310 119.600 -0.056 0.000 2.751 304 M HA 0.076 4.556 4.480 -0.000 0.000 0.252 304 M C -0.068 176.176 176.300 -0.093 0.000 1.264 304 M CA 0.585 55.794 55.300 -0.152 0.000 1.237 304 M CB 0.217 32.801 32.600 -0.027 0.000 1.242 304 M HN -0.051 nan 8.290 nan 0.000 0.525 305 D N 0.020 120.379 120.400 -0.069 0.000 2.362 305 D HA 0.222 4.862 4.640 -0.000 0.000 0.247 305 D C -0.696 175.558 176.300 -0.077 0.000 1.050 305 D CA 0.004 53.964 54.000 -0.066 0.000 0.839 305 D CB 1.450 42.220 40.800 -0.051 0.000 1.283 305 D HN -0.038 nan 8.370 nan 0.000 0.477 306 N N 1.905 120.568 118.700 -0.062 0.000 2.145 306 N HA 0.029 4.769 4.740 -0.000 0.000 0.219 306 N C -1.071 174.420 175.510 -0.033 0.000 1.266 306 N CA -0.004 53.016 53.050 -0.050 0.000 0.902 306 N CB 0.613 39.086 38.487 -0.023 0.000 1.078 306 N HN 0.290 nan 8.380 nan 0.000 0.513 307 D N 0.789 121.168 120.400 -0.035 0.000 2.638 307 D HA 0.314 4.954 4.640 -0.000 0.000 0.245 307 D C 0.144 176.431 176.300 -0.022 0.000 1.176 307 D CA -0.069 53.916 54.000 -0.024 0.000 0.996 307 D CB 0.615 41.397 40.800 -0.030 0.000 1.012 307 D HN 0.276 nan 8.370 nan 0.000 0.515 308 I N -0.359 120.201 120.570 -0.017 0.000 3.204 308 I HA 0.493 4.663 4.170 -0.000 0.000 0.313 308 I C 1.551 177.671 176.117 0.006 0.000 1.082 308 I CA -1.098 60.196 61.300 -0.010 0.000 1.033 308 I CB 1.201 39.190 38.000 -0.020 0.000 1.304 308 I HN 0.096 nan 8.210 nan 0.000 0.536 309 A N 1.701 124.528 122.820 0.012 0.000 1.874 309 A HA 0.105 4.425 4.320 -0.000 0.000 0.214 309 A C 1.700 179.302 177.584 0.030 0.000 1.189 309 A CA 1.044 53.093 52.037 0.020 0.000 0.615 309 A CB -1.048 17.965 19.000 0.022 0.000 0.830 309 A HN 0.895 nan 8.150 nan 0.000 0.443 310 G N -0.037 108.785 108.800 0.037 0.000 2.909 310 G HA2 0.296 4.256 3.960 -0.000 0.000 0.269 310 G HA3 0.296 4.256 3.960 -0.000 0.000 0.269 310 G C 0.554 175.493 174.900 0.064 0.000 0.726 310 G CA 0.323 45.454 45.100 0.052 0.000 2.082 310 G HN 0.607 nan 8.290 nan 0.000 0.588 311 Q N 0.382 120.215 119.800 0.054 0.000 2.623 311 Q HA -0.264 4.076 4.340 -0.000 0.000 0.279 311 Q C -1.070 174.980 176.000 0.084 0.000 0.969 311 Q CA 2.003 57.841 55.803 0.058 0.000 1.009 311 Q CB -1.882 26.886 28.738 0.050 0.000 0.958 311 Q HN 0.462 nan 8.270 nan 0.000 0.650 312 P HA -0.208 nan 4.420 nan 0.000 0.249 312 P C -0.400 177.008 177.300 0.180 0.000 1.084 312 P CA 1.197 64.390 63.100 0.155 0.000 0.773 312 P CB 0.084 31.916 31.700 0.221 0.000 0.666 313 Q N 2.924 122.810 119.800 0.143 0.000 2.425 313 Q HA 0.135 4.474 4.340 -0.000 0.000 0.204 313 Q C 0.844 176.957 176.000 0.188 0.000 0.933 313 Q CA 0.671 56.550 55.803 0.126 0.000 0.939 313 Q CB 0.154 28.942 28.738 0.082 0.000 1.044 313 Q HN 0.659 nan 8.270 nan 0.000 0.513 314 A N 1.033 124.025 122.820 0.287 0.000 2.546 314 A HA -0.183 4.137 4.320 -0.000 0.000 0.295 314 A C -0.118 177.592 177.584 0.210 0.000 1.455 314 A CA 0.133 52.390 52.037 0.366 0.000 0.730 314 A CB -2.224 17.112 19.000 0.560 0.000 1.111 314 A HN 0.373 nan 8.150 nan 0.000 0.411 315 L N 0.727 122.036 121.223 0.143 0.000 2.456 315 L HA 0.234 4.574 4.340 -0.000 0.000 0.272 315 L C 1.160 178.092 176.870 0.105 0.000 1.189 315 L CA 0.177 55.080 54.840 0.104 0.000 0.846 315 L CB 0.639 42.743 42.059 0.075 0.000 1.111 315 L HN 0.752 nan 8.230 nan 0.000 0.475 316 Q N 3.377 123.239 119.800 0.103 0.000 2.235 316 Q HA 0.140 4.480 4.340 -0.000 0.000 0.250 316 Q C -0.572 175.485 176.000 0.094 0.000 0.909 316 Q CA -0.809 55.064 55.803 0.116 0.000 0.910 316 Q CB 1.108 29.936 28.738 0.150 0.000 1.223 316 Q HN 0.400 nan 8.270 nan 0.000 0.432 317 K N 2.131 122.581 120.400 0.084 0.000 2.364 317 K HA -0.154 4.166 4.320 -0.000 0.000 0.265 317 K C 0.082 176.724 176.600 0.070 0.000 1.189 317 K CA 1.413 57.739 56.287 0.065 0.000 1.224 317 K CB -0.310 32.223 32.500 0.055 0.000 0.813 317 K HN 0.906 nan 8.250 nan 0.000 0.490 318 S N 0.107 115.839 115.700 0.053 0.000 2.066 318 S HA -0.088 4.382 4.470 -0.000 0.000 0.234 318 S C 0.905 175.530 174.600 0.042 0.000 1.363 318 S CA 0.525 58.753 58.200 0.046 0.000 1.043 318 S CB -1.646 61.585 63.200 0.052 0.000 1.319 318 S HN 1.152 nan 8.310 nan 0.000 0.645 319 G N 1.745 110.572 108.800 0.046 0.000 2.189 319 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 319 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 319 G C -0.063 174.863 174.900 0.044 0.000 0.975 319 G CA 0.555 45.681 45.100 0.043 0.000 0.644 319 G HN 0.930 nan 8.290 nan 0.000 0.537 320 R N 1.023 121.552 120.500 0.049 0.000 2.288 320 R HA 0.289 4.629 4.340 -0.000 0.000 0.330 320 R C -0.542 175.790 176.300 0.053 0.000 1.069 320 R CA -1.096 55.031 56.100 0.045 0.000 0.941 320 R CB 0.404 30.730 30.300 0.044 0.000 0.998 320 R HN 0.076 nan 8.270 nan 0.000 0.452 321 P HA -0.308 nan 4.420 nan 0.000 0.227 321 P C -0.516 176.821 177.300 0.061 0.000 1.106 321 P CA 1.379 64.508 63.100 0.048 0.000 0.998 321 P CB 0.108 31.826 31.700 0.030 0.000 0.769 322 V N -3.489 116.456 119.914 0.051 0.000 3.031 322 V HA -0.100 4.020 4.120 -0.000 0.000 0.440 322 V C -0.376 175.735 176.094 0.029 0.000 0.682 322 V CA -0.338 61.997 62.300 0.058 0.000 1.974 322 V CB -0.594 31.283 31.823 0.090 0.000 2.460 322 V HN 0.114 nan 8.190 nan 0.000 0.489 323 K N 3.972 124.379 120.400 0.011 0.000 2.220 323 K HA 0.454 4.774 4.320 -0.000 0.000 0.283 323 K C 0.596 177.176 176.600 -0.034 0.000 1.098 323 K CA 0.286 56.564 56.287 -0.016 0.000 0.928 323 K CB 0.679 33.163 32.500 -0.028 0.000 1.214 323 K HN 0.820 nan 8.250 nan 0.000 0.442 324 S N 2.219 117.892 115.700 -0.044 0.000 2.568 324 S HA 0.087 4.556 4.470 -0.000 0.000 0.282 324 S C 1.553 176.076 174.600 -0.128 0.000 1.338 324 S CA -0.670 57.481 58.200 -0.082 0.000 1.045 324 S CB 0.640 63.797 63.200 -0.072 0.000 0.873 324 S HN 0.453 nan 8.310 nan 0.000 0.516 325 I N 1.951 122.395 120.570 -0.210 0.000 2.087 325 I HA -0.343 3.827 4.170 -0.000 0.000 0.240 325 I C 2.966 178.992 176.117 -0.153 0.000 1.054 325 I CA 2.348 63.525 61.300 -0.204 0.000 1.311 325 I CB -0.541 37.295 38.000 -0.273 0.000 1.024 325 I HN 0.877 nan 8.210 nan 0.000 0.402 326 R N 1.927 122.334 120.500 -0.155 0.000 2.153 326 R HA -0.249 4.091 4.340 -0.000 0.000 0.252 326 R C 2.232 178.445 176.300 -0.145 0.000 1.158 326 R CA 1.961 57.953 56.100 -0.179 0.000 0.975 326 R CB -0.752 29.442 30.300 -0.177 0.000 0.871 326 R HN 0.344 nan 8.270 nan 0.000 0.450 327 A N 1.574 124.327 122.820 -0.111 0.000 1.892 327 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 327 A C 2.264 179.799 177.584 -0.082 0.000 1.188 327 A CA 1.828 53.813 52.037 -0.086 0.000 0.631 327 A CB -0.609 18.352 19.000 -0.066 0.000 0.822 327 A HN 0.508 nan 8.150 nan 0.000 0.447 328 R N -0.578 119.871 120.500 -0.085 0.000 2.139 328 R HA -0.121 4.219 4.340 -0.000 0.000 0.243 328 R C 1.891 178.146 176.300 -0.074 0.000 1.145 328 R CA 1.616 57.672 56.100 -0.072 0.000 0.976 328 R CB -0.513 29.743 30.300 -0.073 0.000 0.866 328 R HN 0.578 nan 8.270 nan 0.000 0.449 329 L N 0.302 121.466 121.223 -0.098 0.000 2.249 329 L HA 0.075 4.415 4.340 -0.000 0.000 0.207 329 L C 1.048 177.860 176.870 -0.098 0.000 1.090 329 L CA 0.035 54.814 54.840 -0.102 0.000 0.802 329 L CB -0.311 41.663 42.059 -0.141 0.000 0.947 329 L HN 0.024 nan 8.230 nan 0.000 0.453 330 K N 1.909 122.245 120.400 -0.108 0.000 2.578 330 K HA -0.024 4.296 4.320 -0.000 0.000 0.279 330 K C 0.671 177.232 176.600 -0.065 0.000 0.983 330 K CA 0.293 56.522 56.287 -0.097 0.000 1.078 330 K CB 0.324 32.770 32.500 -0.090 0.000 0.852 330 K HN 0.172 nan 8.250 nan 0.000 0.490 331 G N 3.210 111.976 108.800 -0.057 0.000 2.497 331 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.228 331 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.228 331 G C -0.509 174.386 174.900 -0.008 0.000 1.190 331 G CA 0.255 45.342 45.100 -0.022 0.000 0.857 331 G HN 0.874 nan 8.290 nan 0.000 0.526 332 K N 0.572 120.979 120.400 0.013 0.000 7.525 332 K HA -0.247 4.073 4.320 -0.000 0.000 0.614 332 K C 0.968 177.568 176.600 0.000 0.000 2.593 332 K CA 1.516 57.812 56.287 0.015 0.000 1.986 332 K CB -0.249 32.264 32.500 0.022 0.000 1.989 332 K HN 0.971 nan 8.250 nan 0.000 0.290 333 E N -1.600 118.601 120.200 0.002 0.000 3.870 333 E HA -0.223 4.127 4.350 -0.000 0.000 0.329 333 E C 0.378 176.970 176.600 -0.012 0.000 0.702 333 E CA 2.077 58.474 56.400 -0.004 0.000 1.174 333 E CB -1.546 28.149 29.700 -0.007 0.000 1.619 333 E HN 0.846 nan 8.360 nan 0.000 0.441 334 G N -0.189 108.601 108.800 -0.016 0.000 2.590 334 G HA2 0.480 4.440 3.960 -0.000 0.000 0.310 334 G HA3 0.480 4.440 3.960 -0.000 0.000 0.310 334 G C 0.407 175.291 174.900 -0.026 0.000 1.347 334 G CA 0.180 45.264 45.100 -0.027 0.000 0.963 334 G HN 0.019 nan 8.290 nan 0.000 0.494 335 R N 1.147 121.631 120.500 -0.027 0.000 3.327 335 R HA -0.351 3.989 4.340 -0.000 0.000 0.593 335 R C 2.361 178.650 176.300 -0.017 0.000 0.391 335 R CA 2.345 58.430 56.100 -0.024 0.000 0.533 335 R CB -1.164 29.115 30.300 -0.035 0.000 0.598 335 R HN 0.507 nan 8.270 nan 0.000 0.278 336 I N -0.002 120.554 120.570 -0.023 0.000 2.421 336 I HA -0.404 3.766 4.170 -0.000 0.000 0.218 336 I C 2.517 178.635 176.117 0.002 0.000 0.949 336 I CA 2.522 63.815 61.300 -0.012 0.000 1.269 336 I CB -1.319 36.668 38.000 -0.021 0.000 0.974 336 I HN 0.502 nan 8.210 nan 0.000 0.373 337 R N 0.384 120.888 120.500 0.007 0.000 2.075 337 R HA -0.092 4.247 4.340 -0.000 0.000 0.232 337 R C 2.174 178.482 176.300 0.013 0.000 1.126 337 R CA 1.516 57.628 56.100 0.021 0.000 0.963 337 R CB -0.435 29.888 30.300 0.037 0.000 0.858 337 R HN 0.554 nan 8.270 nan 0.000 0.435 338 G N -0.770 108.033 108.800 0.005 0.000 2.880 338 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.209 338 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.209 338 G C 0.947 175.848 174.900 0.002 0.000 1.157 338 G CA 0.059 45.161 45.100 0.004 0.000 0.779 338 G HN 0.279 nan 8.290 nan 0.000 0.539 339 N N -0.767 117.932 118.700 -0.001 0.000 2.380 339 N HA 0.187 4.927 4.740 -0.000 0.000 0.227 339 N C 1.793 177.303 175.510 -0.001 0.000 1.139 339 N CA 0.011 53.060 53.050 -0.001 0.000 0.843 339 N CB 0.580 39.063 38.487 -0.006 0.000 1.327 339 N HN 0.201 nan 8.380 nan 0.000 0.470 340 L N 0.372 121.594 121.223 -0.001 0.000 2.362 340 L HA 0.252 4.591 4.340 -0.000 0.000 0.204 340 L C 1.776 178.644 176.870 -0.002 0.000 1.060 340 L CA 0.411 55.250 54.840 -0.001 0.000 0.827 340 L CB -0.016 42.044 42.059 0.001 0.000 1.027 340 L HN -0.015 nan 8.230 nan 0.000 0.474 341 M N -0.196 119.405 119.600 0.002 0.000 2.595 341 M HA 0.228 4.708 4.480 -0.000 0.000 0.248 341 M C 0.553 176.850 176.300 -0.004 0.000 1.119 341 M CA 0.356 55.656 55.300 0.000 0.000 1.079 341 M CB -0.337 32.269 32.600 0.009 0.000 1.472 341 M HN 0.190 nan 8.290 nan 0.000 0.501 342 G N 0.886 109.685 108.800 -0.002 0.000 2.635 342 G HA2 0.470 4.430 3.960 -0.000 0.000 0.295 342 G HA3 0.470 4.430 3.960 -0.000 0.000 0.295 342 G C -0.989 173.912 174.900 0.002 0.000 1.359 342 G CA -0.748 44.351 45.100 -0.002 0.000 1.232 342 G HN 0.154 nan 8.290 nan 0.000 0.597 343 K N 1.077 121.477 120.400 0.001 0.000 2.349 343 K HA 0.668 4.988 4.320 -0.000 0.000 0.243 343 K C -0.097 176.514 176.600 0.019 0.000 1.058 343 K CA -1.133 55.159 56.287 0.008 0.000 0.871 343 K CB 2.247 34.750 32.500 0.005 0.000 1.337 343 K HN 0.365 nan 8.250 nan 0.000 0.469 344 R N 0.592 121.110 120.500 0.029 0.000 2.549 344 R HA 0.524 4.864 4.340 -0.000 0.000 0.267 344 R C -0.467 175.866 176.300 0.055 0.000 1.045 344 R CA -0.797 55.332 56.100 0.048 0.000 1.115 344 R CB 1.507 31.834 30.300 0.046 0.000 1.121 344 R HN 0.488 nan 8.270 nan 0.000 0.543 345 V N -1.226 118.740 119.914 0.086 0.000 3.114 345 V HA 0.444 4.564 4.120 -0.000 0.000 0.308 345 V C -1.144 175.048 176.094 0.163 0.000 1.168 345 V CA -1.024 61.339 62.300 0.105 0.000 1.015 345 V CB 2.475 34.338 31.823 0.067 0.000 1.050 345 V HN 0.587 nan 8.190 nan 0.000 0.433 346 D N 1.580 122.113 120.400 0.222 0.000 2.423 346 D HA 0.555 5.195 4.640 -0.000 0.000 0.255 346 D C -0.164 176.414 176.300 0.464 0.000 1.174 346 D CA 0.210 54.375 54.000 0.274 0.000 1.008 346 D CB 0.347 41.353 40.800 0.343 0.000 1.101 346 D HN 0.773 nan 8.370 nan 0.000 0.516 347 F N -0.732 119.285 119.950 0.112 0.000 2.905 347 F HA -0.225 4.302 4.527 -0.000 0.000 0.291 347 F C 0.258 176.164 175.800 0.178 0.000 1.002 347 F CA 0.176 58.255 58.000 0.132 0.000 0.978 347 F CB -2.141 36.934 39.000 0.125 0.000 1.036 347 F HN 0.188 nan 8.300 nan 0.000 0.820 348 S N -1.010 114.834 115.700 0.241 0.000 2.579 348 S HA 1.021 5.491 4.470 -0.000 0.000 0.272 348 S C -0.538 174.132 174.600 0.116 0.000 1.141 348 S CA -0.356 57.963 58.200 0.199 0.000 0.843 348 S CB 2.702 66.076 63.200 0.290 0.000 1.122 348 S HN 1.548 nan 8.310 nan 0.000 0.468 349 A N 0.843 123.722 122.820 0.099 0.000 2.601 349 A HA 0.916 5.236 4.320 -0.000 0.000 0.291 349 A C -1.116 176.623 177.584 0.258 0.000 1.075 349 A CA -0.872 51.265 52.037 0.167 0.000 0.671 349 A CB 1.655 20.793 19.000 0.229 0.000 1.277 349 A HN 1.154 nan 8.150 nan 0.000 0.417 350 R N -0.011 120.599 120.500 0.182 0.000 2.604 350 R HA 0.730 5.070 4.340 -0.000 0.000 0.270 350 R C -0.727 175.472 176.300 -0.167 0.000 1.052 350 R CA 0.453 56.639 56.100 0.143 0.000 0.902 350 R CB 1.953 32.303 30.300 0.084 0.000 1.233 350 R HN 1.548 nan 8.270 nan 0.000 0.455 351 T N -1.412 112.926 114.554 -0.360 0.000 2.626 351 T HA 0.418 4.768 4.350 -0.000 0.000 0.285 351 T C -1.228 173.339 174.700 -0.221 0.000 1.194 351 T CA -0.491 61.365 62.100 -0.407 0.000 1.112 351 T CB 0.916 69.356 68.868 -0.713 0.000 1.714 351 T HN 0.208 nan 8.240 nan 0.000 0.457 352 V N 2.541 122.344 119.914 -0.186 0.000 2.398 352 V HA 0.546 4.666 4.120 -0.000 0.000 0.286 352 V C 0.408 176.513 176.094 0.019 0.000 1.026 352 V CA -0.999 61.276 62.300 -0.042 0.000 0.868 352 V CB 0.850 32.657 31.823 -0.026 0.000 0.982 352 V HN 0.859 nan 8.190 nan 0.000 0.443 353 I N 2.936 123.600 120.570 0.155 0.000 2.662 353 I HA 0.787 4.957 4.170 -0.000 0.000 0.291 353 I C 0.156 176.368 176.117 0.157 0.000 1.046 353 I CA 0.298 61.747 61.300 0.248 0.000 1.361 353 I CB 1.415 39.660 38.000 0.409 0.000 1.429 353 I HN 0.623 nan 8.210 nan 0.000 0.558 354 S N 2.467 118.035 115.700 -0.221 0.000 2.588 354 S HA 0.745 5.215 4.470 -0.000 0.000 0.275 354 S C -0.122 173.691 174.600 -1.312 0.000 1.130 354 S CA -0.743 56.882 58.200 -0.959 0.000 0.855 354 S CB 1.282 64.203 63.200 -0.466 0.000 1.116 354 S HN 1.078 nan 8.310 nan 0.000 0.472 355 G N -0.162 107.488 108.800 -1.917 0.000 2.537 355 G HA2 0.531 4.491 3.960 -0.000 0.000 0.273 355 G HA3 0.531 4.491 3.960 -0.000 0.000 0.273 355 G C -1.141 173.576 174.900 -0.304 0.000 1.189 355 G CA -0.161 44.509 45.100 -0.716 0.000 0.881 355 G HN 0.687 nan 8.290 nan 0.000 0.535 356 D N 0.702 121.041 120.400 -0.103 0.000 2.318 356 D HA 0.161 4.801 4.640 -0.000 0.000 0.233 356 D C -2.051 174.254 176.300 0.009 0.000 1.348 356 D CA -1.055 52.908 54.000 -0.060 0.000 0.983 356 D CB 2.143 42.895 40.800 -0.080 0.000 1.416 356 D HN 0.140 nan 8.370 nan 0.000 0.558 357 P HA 0.024 nan 4.420 nan 0.000 0.250 357 P C 0.049 177.410 177.300 0.102 0.000 1.239 357 P CA 0.224 63.379 63.100 0.092 0.000 0.756 357 P CB 0.240 32.008 31.700 0.112 0.000 1.013 358 N N 0.032 118.767 118.700 0.058 0.000 2.416 358 N HA 0.251 4.991 4.740 -0.000 0.000 0.267 358 N C -0.413 175.096 175.510 -0.002 0.000 1.294 358 N CA -0.052 53.020 53.050 0.037 0.000 0.891 358 N CB 0.947 39.447 38.487 0.021 0.000 1.238 358 N HN 0.232 nan 8.380 nan 0.000 0.508 359 L N 1.201 122.427 121.223 0.006 0.000 2.406 359 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 359 L C -0.085 176.789 176.870 0.007 0.000 0.980 359 L CA -0.869 53.962 54.840 -0.015 0.000 0.831 359 L CB 2.153 44.186 42.059 -0.043 0.000 1.253 359 L HN -0.124 nan 8.230 nan 0.000 0.406 360 E N 2.198 122.402 120.200 0.007 0.000 2.508 360 E HA -0.102 4.248 4.350 -0.000 0.000 0.266 360 E C 0.847 177.466 176.600 0.030 0.000 1.010 360 E CA -0.076 56.343 56.400 0.031 0.000 0.955 360 E CB 0.930 30.645 29.700 0.025 0.000 0.946 360 E HN 0.470 nan 8.360 nan 0.000 0.454 361 L N 3.280 124.525 121.223 0.037 0.000 2.011 361 L HA -0.290 4.050 4.340 -0.000 0.000 0.225 361 L C 1.444 178.350 176.870 0.061 0.000 1.084 361 L CA 2.767 57.599 54.840 -0.012 0.000 0.791 361 L CB -0.882 41.099 42.059 -0.130 0.000 0.898 361 L HN 0.660 nan 8.230 nan 0.000 0.440 362 D N -1.110 119.338 120.400 0.080 0.000 2.358 362 D HA -0.079 4.560 4.640 -0.000 0.000 0.241 362 D C 0.698 177.124 176.300 0.210 0.000 1.094 362 D CA 0.274 54.374 54.000 0.167 0.000 0.907 362 D CB -0.354 40.481 40.800 0.058 0.000 0.893 362 D HN 0.642 nan 8.370 nan 0.000 0.528 363 Q N -0.814 119.036 119.800 0.083 0.000 2.293 363 Q HA 0.633 4.973 4.340 -0.000 0.000 0.216 363 Q C -1.052 174.803 176.000 -0.242 0.000 1.003 363 Q CA -1.184 54.601 55.803 -0.029 0.000 0.995 363 Q CB 2.591 31.293 28.738 -0.059 0.000 1.172 363 Q HN 0.034 nan 8.270 nan 0.000 0.518 364 V N -0.312 119.421 119.914 -0.300 0.000 2.775 364 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 364 V C -1.118 174.768 176.094 -0.347 0.000 1.226 364 V CA -0.431 61.551 62.300 -0.529 0.000 0.934 364 V CB 1.701 32.973 31.823 -0.919 0.000 1.056 364 V HN 0.802 nan 8.190 nan 0.000 0.436 365 G N 5.558 114.200 108.800 -0.263 0.000 2.356 365 G HA2 0.497 4.457 3.960 -0.000 0.000 0.273 365 G HA3 0.497 4.457 3.960 -0.000 0.000 0.273 365 G C -0.529 174.334 174.900 -0.061 0.000 1.213 365 G CA -0.092 44.931 45.100 -0.129 0.000 0.955 365 G HN 0.984 nan 8.290 nan 0.000 0.454 366 V N 6.128 126.011 119.914 -0.052 0.000 2.370 366 V HA 0.318 4.438 4.120 -0.000 0.000 0.283 366 V C -1.827 174.288 176.094 0.035 0.000 1.023 366 V CA -1.931 60.396 62.300 0.046 0.000 0.857 366 V CB 1.931 33.740 31.823 -0.023 0.000 0.985 366 V HN 0.637 nan 8.190 nan 0.000 0.443 367 P HA 0.050 nan 4.420 nan 0.000 0.267 367 P C 0.644 177.903 177.300 -0.068 0.000 1.209 367 P CA -0.028 63.066 63.100 -0.010 0.000 0.763 367 P CB 0.966 32.652 31.700 -0.024 0.000 0.816 368 K N 3.348 123.661 120.400 -0.145 0.000 2.127 368 K HA -0.279 4.041 4.320 -0.000 0.000 0.212 368 K C 2.016 178.528 176.600 -0.145 0.000 1.050 368 K CA 2.370 58.516 56.287 -0.236 0.000 0.929 368 K CB -0.497 31.858 32.500 -0.242 0.000 0.715 368 K HN 0.403 nan 8.250 nan 0.000 0.457 369 S N 0.611 116.252 115.700 -0.098 0.000 2.389 369 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 369 S C 1.947 176.531 174.600 -0.026 0.000 1.048 369 S CA 2.023 60.185 58.200 -0.063 0.000 1.117 369 S CB -0.453 62.712 63.200 -0.059 0.000 1.020 369 S HN 0.425 nan 8.310 nan 0.000 0.430 370 I N 1.903 122.474 120.570 0.000 0.000 2.163 370 I HA -0.184 3.985 4.170 -0.000 0.000 0.243 370 I C 2.973 179.134 176.117 0.074 0.000 1.085 370 I CA 1.197 62.530 61.300 0.055 0.000 1.347 370 I CB -0.784 37.294 38.000 0.129 0.000 1.044 370 I HN 0.491 nan 8.210 nan 0.000 0.408 371 A N 0.606 123.453 122.820 0.044 0.000 1.948 371 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 371 A C 2.273 179.967 177.584 0.183 0.000 1.177 371 A CA 1.814 53.907 52.037 0.094 0.000 0.636 371 A CB -0.509 18.478 19.000 -0.022 0.000 0.815 371 A HN 0.376 nan 8.150 nan 0.000 0.449 372 K N -1.393 119.050 120.400 0.071 0.000 2.366 372 K HA -0.006 4.314 4.320 -0.000 0.000 0.198 372 K C 1.617 178.375 176.600 0.263 0.000 1.044 372 K CA 1.278 57.596 56.287 0.052 0.000 0.973 372 K CB -0.013 32.423 32.500 -0.107 0.000 0.767 372 K HN 0.509 nan 8.250 nan 0.000 0.475 373 T N 0.982 115.622 114.554 0.142 0.000 2.953 373 T HA 0.132 4.482 4.350 -0.000 0.000 0.247 373 T C 0.775 175.509 174.700 0.057 0.000 1.029 373 T CA 0.174 62.318 62.100 0.074 0.000 1.144 373 T CB 0.194 69.080 68.868 0.030 0.000 0.870 373 T HN -0.008 nan 8.240 nan 0.000 0.446 374 L N 1.855 123.137 121.223 0.098 0.000 2.439 374 L HA 0.421 4.761 4.340 -0.000 0.000 0.269 374 L C 0.450 177.421 176.870 0.168 0.000 1.179 374 L CA -0.108 54.794 54.840 0.103 0.000 0.828 374 L CB 0.799 42.950 42.059 0.153 0.000 1.106 374 L HN 0.159 nan 8.230 nan 0.000 0.467 375 T N 1.163 115.851 114.554 0.223 0.000 2.906 375 T HA 0.446 4.795 4.350 -0.000 0.000 0.295 375 T C -1.502 173.472 174.700 0.456 0.000 1.061 375 T CA -0.427 61.842 62.100 0.282 0.000 1.000 375 T CB 1.292 70.272 68.868 0.187 0.000 1.103 375 T HN 0.366 nan 8.240 nan 0.000 0.486 376 Y N 5.489 125.898 120.300 0.181 0.000 2.350 376 Y HA 0.584 5.134 4.550 -0.000 0.000 0.338 376 Y C -2.516 173.436 175.900 0.085 0.000 0.961 376 Y CA -2.630 55.545 58.100 0.126 0.000 1.100 376 Y CB 2.130 40.642 38.460 0.086 0.000 1.179 376 Y HN 0.387 nan 8.280 nan 0.000 0.454 377 P HA 0.099 nan 4.420 nan 0.000 0.277 377 P C -0.886 176.041 177.300 -0.621 0.000 1.354 377 P CA 0.175 63.013 63.100 -0.437 0.000 0.891 377 P CB 0.856 32.346 31.700 -0.351 0.000 1.058 378 E N 2.682 122.731 120.200 -0.252 0.000 2.214 378 E HA 0.349 4.699 4.350 -0.000 0.000 0.274 378 E C -0.716 175.861 176.600 -0.038 0.000 0.977 378 E CA -1.044 55.303 56.400 -0.087 0.000 0.827 378 E CB 1.414 31.183 29.700 0.114 0.000 1.130 378 E HN 0.127 nan 8.360 nan 0.000 0.394 379 V N 3.947 123.856 119.914 -0.008 0.000 2.406 379 V HA 0.124 4.244 4.120 -0.000 0.000 0.272 379 V C 0.081 176.178 176.094 0.006 0.000 1.043 379 V CA -0.865 61.438 62.300 0.006 0.000 0.915 379 V CB 1.155 32.982 31.823 0.008 0.000 0.988 379 V HN 0.502 nan 8.190 nan 0.000 0.466 380 V N 5.078 124.996 119.914 0.007 0.000 2.475 380 V HA 0.109 4.228 4.120 -0.000 0.000 0.292 380 V C 0.711 176.729 176.094 -0.127 0.000 1.003 380 V CA 1.054 63.312 62.300 -0.070 0.000 1.120 380 V CB 0.303 32.075 31.823 -0.085 0.000 0.937 380 V HN 1.038 nan 8.190 nan 0.000 0.476 381 T N 7.692 122.144 114.554 -0.171 0.000 2.906 381 T HA 0.433 4.783 4.350 -0.000 0.000 0.295 381 T C -1.677 172.882 174.700 -0.234 0.000 1.061 381 T CA -1.183 60.799 62.100 -0.197 0.000 1.000 381 T CB 2.253 70.959 68.868 -0.270 0.000 1.103 381 T HN 0.424 nan 8.240 nan 0.000 0.486 382 P HA -0.146 nan 4.420 nan 0.000 0.220 382 P C 0.899 178.265 177.300 0.111 0.000 1.144 382 P CA 1.490 64.693 63.100 0.171 0.000 0.800 382 P CB -0.005 31.862 31.700 0.278 0.000 0.772 383 Y N 1.265 121.610 120.300 0.076 0.000 2.242 383 Y HA -0.161 4.389 4.550 -0.000 0.000 0.291 383 Y C 2.320 178.230 175.900 0.016 0.000 1.137 383 Y CA 0.963 59.088 58.100 0.042 0.000 1.181 383 Y CB -0.803 37.681 38.460 0.041 0.000 0.989 383 Y HN 0.198 nan 8.280 nan 0.000 0.527 384 N N -1.057 117.710 118.700 0.112 0.000 2.397 384 N HA -0.037 4.703 4.740 -0.000 0.000 0.190 384 N C 1.347 176.842 175.510 -0.025 0.000 1.099 384 N CA 0.068 53.147 53.050 0.048 0.000 0.876 384 N CB -0.567 37.953 38.487 0.055 0.000 1.143 384 N HN 0.048 nan 8.380 nan 0.000 0.468 385 I N 2.367 122.869 120.570 -0.114 0.000 2.600 385 I HA -0.451 3.719 4.170 -0.000 0.000 0.230 385 I C 1.181 177.240 176.117 -0.095 0.000 0.913 385 I CA 2.143 63.334 61.300 -0.183 0.000 1.228 385 I CB -0.836 36.979 38.000 -0.308 0.000 0.943 385 I HN 0.323 nan 8.210 nan 0.000 0.391 386 D N -0.322 120.045 120.400 -0.054 0.000 2.120 386 D HA -0.254 4.386 4.640 -0.000 0.000 0.191 386 D C 2.135 178.426 176.300 -0.015 0.000 0.994 386 D CA 1.837 55.821 54.000 -0.027 0.000 0.838 386 D CB -0.516 40.281 40.800 -0.005 0.000 0.976 386 D HN 0.396 nan 8.370 nan 0.000 0.447 387 R N 0.565 121.064 120.500 -0.002 0.000 2.103 387 R HA -0.140 4.200 4.340 -0.000 0.000 0.242 387 R C 2.677 178.978 176.300 0.003 0.000 1.142 387 R CA 0.942 57.046 56.100 0.006 0.000 0.960 387 R CB -0.402 29.909 30.300 0.018 0.000 0.858 387 R HN 0.151 nan 8.270 nan 0.000 0.439 388 L N -0.436 120.786 121.223 -0.003 0.000 2.046 388 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 388 L C 2.333 179.201 176.870 -0.003 0.000 1.077 388 L CA 1.737 56.577 54.840 -0.000 0.000 0.747 388 L CB -0.325 41.727 42.059 -0.012 0.000 0.896 388 L HN 0.268 nan 8.230 nan 0.000 0.432 389 T N -1.605 112.938 114.554 -0.018 0.000 2.881 389 T HA -0.233 4.117 4.350 -0.000 0.000 0.270 389 T C 1.764 176.463 174.700 -0.001 0.000 1.068 389 T CA 1.056 63.149 62.100 -0.012 0.000 1.131 389 T CB -0.065 68.785 68.868 -0.029 0.000 0.871 389 T HN 0.182 nan 8.240 nan 0.000 0.479 390 Q N 0.931 120.729 119.800 -0.002 0.000 2.046 390 Q HA 0.093 4.433 4.340 -0.000 0.000 0.200 390 Q C 2.105 178.108 176.000 0.006 0.000 0.975 390 Q CA 1.346 57.150 55.803 0.001 0.000 0.836 390 Q CB -0.618 28.119 28.738 -0.001 0.000 0.896 390 Q HN 0.500 nan 8.270 nan 0.000 0.428 391 L N -0.813 120.414 121.223 0.007 0.000 2.046 391 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 391 L C 2.266 179.145 176.870 0.015 0.000 1.077 391 L CA 0.957 55.804 54.840 0.012 0.000 0.747 391 L CB -0.615 41.452 42.059 0.013 0.000 0.896 391 L HN 0.085 nan 8.230 nan 0.000 0.432 392 V N -0.273 119.649 119.914 0.013 0.000 2.343 392 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 392 V C 2.647 178.753 176.094 0.021 0.000 1.051 392 V CA 1.678 63.989 62.300 0.018 0.000 1.036 392 V CB -0.661 31.182 31.823 0.033 0.000 0.654 392 V HN 0.405 nan 8.190 nan 0.000 0.451 393 R N 0.053 120.565 120.500 0.020 0.000 2.075 393 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 393 R C 2.253 178.566 176.300 0.020 0.000 1.126 393 R CA 1.269 57.382 56.100 0.020 0.000 0.963 393 R CB -0.581 29.729 30.300 0.015 0.000 0.858 393 R HN 0.529 nan 8.270 nan 0.000 0.435 394 N N 0.470 119.182 118.700 0.019 0.000 2.247 394 N HA -0.140 4.600 4.740 -0.000 0.000 0.189 394 N C 0.934 176.464 175.510 0.034 0.000 1.009 394 N CA 1.494 54.557 53.050 0.023 0.000 0.872 394 N CB -0.081 38.420 38.487 0.022 0.000 0.980 394 N HN 0.378 nan 8.380 nan 0.000 0.436 395 G N -0.010 108.811 108.800 0.035 0.000 2.796 395 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.571 395 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.571 395 G C -2.465 172.481 174.900 0.076 0.000 1.370 395 G CA -0.171 44.952 45.100 0.038 0.000 0.856 395 G HN 0.140 nan 8.290 nan 0.000 0.538 396 P HA 0.231 nan 4.420 nan 0.000 0.254 396 P C 0.327 177.713 177.300 0.144 0.000 1.620 396 P CA -0.075 63.112 63.100 0.145 0.000 1.050 396 P CB 0.232 31.918 31.700 -0.024 0.000 1.539 397 N N -0.224 118.527 118.700 0.084 0.000 2.557 397 N HA 0.069 4.809 4.740 -0.000 0.000 0.217 397 N C 0.708 176.212 175.510 -0.009 0.000 1.062 397 N CA 0.271 53.338 53.050 0.028 0.000 0.863 397 N CB 0.213 38.713 38.487 0.022 0.000 1.390 397 N HN 0.230 nan 8.380 nan 0.000 0.445 398 E N 0.249 120.448 120.200 -0.002 0.000 2.410 398 E HA -0.036 4.314 4.350 -0.000 0.000 0.255 398 E C 0.574 177.138 176.600 -0.060 0.000 1.194 398 E CA -0.081 56.309 56.400 -0.017 0.000 0.955 398 E CB 0.967 30.663 29.700 -0.007 0.000 0.988 398 E HN 0.250 nan 8.360 nan 0.000 0.461 399 H N 1.787 120.777 119.070 -0.133 0.000 2.480 399 H HA 0.021 4.577 4.556 -0.000 0.000 0.305 399 H C -1.692 173.531 175.328 -0.175 0.000 1.035 399 H CA 0.608 56.528 56.048 -0.214 0.000 1.221 399 H CB -1.185 28.492 29.762 -0.141 0.000 1.449 399 H HN 0.263 nan 8.280 nan 0.000 0.597 400 P HA 0.133 nan 4.420 nan 0.000 0.252 400 P C -0.409 176.800 177.300 -0.152 0.000 1.183 400 P CA 1.277 64.061 63.100 -0.525 0.000 0.973 400 P CB 0.048 31.595 31.700 -0.255 0.000 0.990 401 G N 1.399 110.248 108.800 0.083 0.000 2.677 401 G HA2 0.771 4.731 3.960 -0.000 0.000 0.283 401 G HA3 0.771 4.731 3.960 -0.000 0.000 0.283 401 G C -1.777 173.230 174.900 0.179 0.000 1.221 401 G CA 0.028 45.254 45.100 0.209 0.000 0.851 401 G HN 0.511 nan 8.290 nan 0.000 0.504 402 A N -1.259 121.515 122.820 -0.076 0.000 2.568 402 A HA 0.833 5.152 4.320 -0.000 0.000 0.291 402 A C -0.370 176.996 177.584 -0.364 0.000 1.159 402 A CA 0.310 52.136 52.037 -0.351 0.000 0.679 402 A CB 1.311 20.237 19.000 -0.123 0.000 1.285 402 A HN 1.404 nan 8.150 nan 0.000 0.428 403 K N -1.273 118.926 120.400 -0.335 0.000 2.603 403 K HA 0.454 4.774 4.320 -0.000 0.000 0.202 403 K C -1.191 175.169 176.600 -0.400 0.000 1.279 403 K CA -0.032 56.031 56.287 -0.373 0.000 1.056 403 K CB 0.537 32.741 32.500 -0.493 0.000 1.062 403 K HN 0.534 nan 8.250 nan 0.000 0.606 404 Y N 0.387 120.623 120.300 -0.107 0.000 2.376 404 Y HA 0.318 4.868 4.550 -0.000 0.000 0.321 404 Y C -1.401 174.453 175.900 -0.077 0.000 1.189 404 Y CA -1.358 56.686 58.100 -0.093 0.000 1.069 404 Y CB 2.493 40.901 38.460 -0.086 0.000 1.292 404 Y HN -0.261 nan 8.280 nan 0.000 0.430 405 V N 5.817 125.789 119.914 0.097 0.000 2.444 405 V HA 0.503 4.623 4.120 -0.000 0.000 0.294 405 V C -0.338 175.667 176.094 -0.148 0.000 1.022 405 V CA -0.647 61.652 62.300 -0.001 0.000 0.850 405 V CB 1.688 33.529 31.823 0.030 0.000 0.992 405 V HN 0.518 nan 8.190 nan 0.000 0.426 406 I N 2.724 123.172 120.570 -0.204 0.000 2.410 406 I HA 0.712 4.881 4.170 -0.000 0.000 0.286 406 I C -0.201 175.600 176.117 -0.528 0.000 1.009 406 I CA -0.903 60.200 61.300 -0.327 0.000 1.111 406 I CB 1.538 39.399 38.000 -0.232 0.000 1.262 406 I HN 0.470 nan 8.210 nan 0.000 0.443 407 R N 2.606 122.580 120.500 -0.877 0.000 2.528 407 R HA 0.267 4.607 4.340 -0.000 0.000 0.271 407 R C 0.762 176.725 176.300 -0.562 0.000 1.056 407 R CA -0.490 54.752 56.100 -1.429 0.000 1.117 407 R CB 0.358 29.583 30.300 -1.791 0.000 1.085 407 R HN 0.741 nan 8.270 nan 0.000 0.530 408 D N 0.202 120.453 120.400 -0.248 0.000 2.244 408 D HA -0.266 4.374 4.640 -0.000 0.000 0.197 408 D C 0.510 176.772 176.300 -0.063 0.000 1.006 408 D CA 1.805 55.802 54.000 -0.005 0.000 0.888 408 D CB -0.446 40.453 40.800 0.166 0.000 0.912 408 D HN 0.485 nan 8.370 nan 0.000 0.452 409 S N -0.541 115.099 115.700 -0.099 0.000 3.120 409 S HA 0.300 4.770 4.470 -0.000 0.000 0.259 409 S C 1.541 176.074 174.600 -0.111 0.000 1.191 409 S CA -0.158 57.993 58.200 -0.082 0.000 1.257 409 S CB -1.086 62.072 63.200 -0.070 0.000 0.964 409 S HN 0.585 nan 8.310 nan 0.000 0.473 410 G N 1.156 109.888 108.800 -0.113 0.000 2.425 410 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.290 410 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.290 410 G C -0.290 174.535 174.900 -0.126 0.000 0.863 410 G CA 0.711 45.745 45.100 -0.110 0.000 1.047 410 G HN 0.740 nan 8.290 nan 0.000 0.495 411 D N -0.994 119.301 120.400 -0.175 0.000 2.863 411 D HA 0.447 5.087 4.640 -0.000 0.000 0.245 411 D C 0.495 176.660 176.300 -0.226 0.000 1.211 411 D CA -0.899 52.997 54.000 -0.173 0.000 0.888 411 D CB 0.824 41.536 40.800 -0.147 0.000 1.483 411 D HN 0.485 nan 8.370 nan 0.000 0.533 412 R N 3.315 123.682 120.500 -0.220 0.000 2.308 412 R HA 0.560 4.900 4.340 -0.000 0.000 0.305 412 R C -0.068 176.107 176.300 -0.208 0.000 1.053 412 R CA -0.581 55.357 56.100 -0.271 0.000 0.957 412 R CB 0.931 30.996 30.300 -0.392 0.000 1.022 412 R HN 0.350 nan 8.270 nan 0.000 0.461 413 I N 2.412 122.884 120.570 -0.162 0.000 2.321 413 I HA 0.070 4.240 4.170 -0.000 0.000 0.291 413 I C -0.060 176.108 176.117 0.085 0.000 0.998 413 I CA -0.654 60.612 61.300 -0.056 0.000 1.227 413 I CB 1.354 39.321 38.000 -0.055 0.000 1.368 413 I HN 0.599 nan 8.210 nan 0.000 0.466 414 D N 7.203 127.669 120.400 0.110 0.000 2.374 414 D HA 0.110 4.750 4.640 -0.000 0.000 0.240 414 D C 1.062 177.377 176.300 0.024 0.000 1.229 414 D CA 0.023 54.143 54.000 0.201 0.000 0.895 414 D CB 1.086 41.901 40.800 0.024 0.000 1.046 414 D HN 0.522 nan 8.370 nan 0.000 0.498 415 L N 3.799 125.022 121.223 -0.001 0.000 2.263 415 L HA -0.201 4.139 4.340 -0.000 0.000 0.216 415 L C 2.346 179.194 176.870 -0.036 0.000 1.111 415 L CA 1.056 55.876 54.840 -0.033 0.000 0.773 415 L CB -0.109 41.911 42.059 -0.065 0.000 0.906 415 L HN 0.453 nan 8.230 nan 0.000 0.439 416 R N -1.934 118.495 120.500 -0.118 0.000 2.276 416 R HA -0.042 4.298 4.340 -0.000 0.000 0.196 416 R C 1.217 177.761 176.300 0.406 0.000 0.961 416 R CA 0.678 56.797 56.100 0.031 0.000 1.024 416 R CB -0.100 30.166 30.300 -0.057 0.000 0.940 416 R HN 0.388 nan 8.270 nan 0.000 0.480 417 Y N 0.640 120.945 120.300 0.009 0.000 2.886 417 Y HA 0.134 4.684 4.550 -0.000 0.000 0.244 417 Y C 0.882 176.792 175.900 0.017 0.000 1.017 417 Y CA -0.515 57.593 58.100 0.014 0.000 1.389 417 Y CB -0.007 38.465 38.460 0.020 0.000 1.477 417 Y HN 0.027 nan 8.280 nan 0.000 0.466 418 S N 3.330 119.153 115.700 0.205 0.000 4.448 418 S HA -0.220 4.250 4.470 -0.000 0.000 0.534 418 S C 0.980 175.634 174.600 0.089 0.000 1.024 418 S CA 0.586 58.855 58.200 0.114 0.000 0.994 418 S CB -0.054 63.192 63.200 0.076 0.000 0.900 418 S HN 0.586 nan 8.310 nan 0.000 0.467 419 K N 4.287 124.729 120.400 0.070 0.000 2.444 419 K HA -0.147 4.173 4.320 -0.000 0.000 0.200 419 K C 1.385 178.012 176.600 0.046 0.000 1.045 419 K CA 1.709 58.026 56.287 0.050 0.000 0.934 419 K CB -0.175 32.347 32.500 0.036 0.000 0.756 419 K HN 0.710 nan 8.250 nan 0.000 0.477 420 R N -0.059 120.472 120.500 0.051 0.000 2.468 420 R HA 0.265 4.605 4.340 -0.000 0.000 0.280 420 R C 1.735 178.067 176.300 0.053 0.000 0.963 420 R CA 0.331 56.461 56.100 0.049 0.000 1.083 420 R CB 0.415 30.746 30.300 0.052 0.000 1.200 420 R HN 0.263 nan 8.270 nan 0.000 0.541 421 A N 1.146 123.999 122.820 0.056 0.000 1.915 421 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 421 A C 2.199 179.810 177.584 0.045 0.000 1.198 421 A CA 2.222 54.291 52.037 0.053 0.000 0.647 421 A CB -0.993 18.043 19.000 0.060 0.000 0.825 421 A HN 0.461 nan 8.150 nan 0.000 0.456 422 G N -1.270 107.554 108.800 0.040 0.000 2.511 422 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.217 422 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.217 422 G C 1.084 176.004 174.900 0.033 0.000 1.133 422 G CA 1.002 46.122 45.100 0.033 0.000 0.792 422 G HN 0.558 nan 8.290 nan 0.000 0.539 423 D N 0.452 120.875 120.400 0.039 0.000 1.851 423 D HA 0.030 4.670 4.640 -0.000 0.000 0.309 423 D C 0.947 177.277 176.300 0.050 0.000 1.070 423 D CA 0.021 54.045 54.000 0.040 0.000 0.876 423 D CB -0.096 40.731 40.800 0.044 0.000 1.147 423 D HN 0.140 nan 8.370 nan 0.000 0.392 424 I N 0.366 120.978 120.570 0.069 0.000 8.479 424 I HA -0.249 3.921 4.170 -0.000 0.000 0.126 424 I C -0.591 175.567 176.117 0.069 0.000 1.851 424 I CA -0.036 61.325 61.300 0.102 0.000 2.049 424 I CB -0.515 37.557 38.000 0.120 0.000 3.827 424 I HN 0.316 nan 8.210 nan 0.000 0.173 425 Q N 6.778 126.605 119.800 0.046 0.000 2.245 425 Q HA 0.688 5.028 4.340 -0.000 0.000 0.256 425 Q C -0.197 175.738 176.000 -0.107 0.000 0.942 425 Q CA -0.836 54.942 55.803 -0.040 0.000 0.896 425 Q CB 2.290 30.984 28.738 -0.072 0.000 1.272 425 Q HN 0.538 nan 8.270 nan 0.000 0.442 426 L N 1.625 122.745 121.223 -0.171 0.000 2.399 426 L HA 0.262 4.602 4.340 -0.000 0.000 0.266 426 L C 0.449 176.932 176.870 -0.646 0.000 1.114 426 L CA -0.486 54.182 54.840 -0.287 0.000 0.804 426 L CB 0.672 42.639 42.059 -0.153 0.000 1.146 426 L HN 0.340 nan 8.230 nan 0.000 0.451 427 Q N 1.899 121.027 119.800 -1.121 0.000 2.341 427 Q HA 0.276 4.615 4.340 -0.000 0.000 0.268 427 Q C -1.339 174.298 176.000 -0.606 0.000 1.013 427 Q CA -0.804 54.338 55.803 -1.102 0.000 0.798 427 Q CB 1.690 29.239 28.738 -1.982 0.000 1.253 427 Q HN 0.352 nan 8.270 nan 0.000 0.457 428 Y N 1.094 121.182 120.300 -0.354 0.000 2.863 428 Y HA -0.051 4.499 4.550 -0.000 0.000 0.359 428 Y C 1.584 177.399 175.900 -0.142 0.000 1.312 428 Y CA 2.154 60.131 58.100 -0.205 0.000 1.650 428 Y CB -0.153 38.204 38.460 -0.171 0.000 1.201 428 Y HN 1.018 nan 8.280 nan 0.000 0.531 429 G N 0.851 109.688 108.800 0.062 0.000 2.428 429 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.199 429 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.199 429 G C -0.011 175.032 174.900 0.239 0.000 1.005 429 G CA -0.625 44.548 45.100 0.121 0.000 0.671 429 G HN 0.444 nan 8.290 nan 0.000 0.485 430 W N 1.452 122.733 121.300 -0.030 0.000 2.034 430 W HA 0.693 5.352 4.660 -0.000 0.000 0.357 430 W C 0.793 177.280 176.519 -0.054 0.000 1.326 430 W CA -0.240 57.080 57.345 -0.042 0.000 1.318 430 W CB 0.257 29.691 29.460 -0.044 0.000 1.193 430 W HN 0.078 nan 8.180 nan 0.000 0.620 431 K N 0.306 120.793 120.400 0.145 0.000 2.259 431 K HA 0.550 4.870 4.320 -0.000 0.000 0.252 431 K C -1.391 175.233 176.600 0.040 0.000 0.936 431 K CA -0.715 55.597 56.287 0.043 0.000 0.810 431 K CB 1.927 34.407 32.500 -0.033 0.000 1.143 431 K HN 0.085 nan 8.250 nan 0.000 0.427 432 V N 3.648 123.582 119.914 0.033 0.000 2.325 432 V HA 0.141 4.261 4.120 -0.000 0.000 0.280 432 V C -0.520 175.588 176.094 0.024 0.000 1.016 432 V CA -0.817 61.507 62.300 0.040 0.000 0.818 432 V CB 1.192 33.046 31.823 0.051 0.000 1.019 432 V HN 0.743 nan 8.190 nan 0.000 0.434 433 E N 5.298 125.522 120.200 0.039 0.000 2.383 433 E HA 0.140 4.489 4.350 -0.000 0.000 0.257 433 E C 0.228 176.834 176.600 0.010 0.000 1.079 433 E CA -0.011 56.423 56.400 0.056 0.000 0.934 433 E CB 0.690 30.480 29.700 0.150 0.000 0.978 433 E HN 0.701 nan 8.360 nan 0.000 0.462 434 R N 2.410 122.927 120.500 0.027 0.000 2.893 434 R HA 0.422 4.762 4.340 -0.000 0.000 0.245 434 R C 0.261 176.539 176.300 -0.038 0.000 1.192 434 R CA -0.842 55.230 56.100 -0.046 0.000 1.077 434 R CB 0.685 31.010 30.300 0.042 0.000 1.253 434 R HN 0.373 nan 8.270 nan 0.000 0.505 435 H N -0.047 119.063 119.070 0.067 0.000 2.660 435 H HA 0.136 4.692 4.556 -0.000 0.000 0.374 435 H C 0.373 175.779 175.328 0.129 0.000 1.291 435 H CA -0.144 55.959 56.048 0.090 0.000 1.437 435 H CB 0.579 30.371 29.762 0.051 0.000 1.509 435 H HN 0.270 nan 8.280 nan 0.000 0.614 436 I N 2.226 122.974 120.570 0.297 0.000 2.529 436 I HA 0.023 4.193 4.170 -0.000 0.000 0.284 436 I C 0.936 177.179 176.117 0.210 0.000 1.082 436 I CA 0.469 61.890 61.300 0.203 0.000 1.406 436 I CB -0.184 37.915 38.000 0.164 0.000 1.405 436 I HN 0.346 nan 8.210 nan 0.000 0.548 437 M N 3.231 122.906 119.600 0.125 0.000 2.821 437 M HA 0.361 4.840 4.480 -0.000 0.000 0.304 437 M C -0.366 175.979 176.300 0.076 0.000 1.233 437 M CA -1.086 54.292 55.300 0.130 0.000 0.851 437 M CB 1.273 33.915 32.600 0.070 0.000 1.723 437 M HN 0.333 nan 8.290 nan 0.000 0.493 438 D N 1.906 122.352 120.400 0.077 0.000 2.458 438 D HA 0.057 4.697 4.640 -0.000 0.000 0.243 438 D C -0.143 176.157 176.300 0.000 0.000 1.146 438 D CA 1.131 55.147 54.000 0.028 0.000 0.877 438 D CB 0.200 41.016 40.800 0.025 0.000 1.176 438 D HN 0.555 nan 8.370 nan 0.000 0.461 439 N N 1.453 120.142 118.700 -0.018 0.000 2.926 439 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 439 N C -1.333 174.147 175.510 -0.051 0.000 1.100 439 N CA 0.438 53.470 53.050 -0.030 0.000 0.777 439 N CB -0.714 37.759 38.487 -0.024 0.000 1.112 439 N HN 0.393 nan 8.380 nan 0.000 0.552 440 D N 0.902 121.266 120.400 -0.059 0.000 2.317 440 D HA 0.236 4.876 4.640 -0.000 0.000 0.234 440 D C -2.157 174.093 176.300 -0.083 0.000 1.112 440 D CA -1.195 52.741 54.000 -0.107 0.000 0.840 440 D CB 1.023 41.758 40.800 -0.109 0.000 1.078 440 D HN 0.123 nan 8.370 nan 0.000 0.486 441 P HA 0.006 nan 4.420 nan 0.000 0.267 441 P C -0.460 176.823 177.300 -0.029 0.000 1.209 441 P CA -0.224 62.846 63.100 -0.051 0.000 0.763 441 P CB 0.849 32.518 31.700 -0.051 0.000 0.816 442 V N 1.875 121.788 119.914 -0.002 0.000 3.040 442 V HA 0.447 4.567 4.120 -0.000 0.000 0.312 442 V C -0.319 175.821 176.094 0.077 0.000 1.115 442 V CA -1.252 61.070 62.300 0.035 0.000 0.998 442 V CB 2.626 34.455 31.823 0.010 0.000 1.042 442 V HN 0.392 nan 8.190 nan 0.000 0.433 443 L N 3.235 124.537 121.223 0.131 0.000 2.255 443 L HA 0.531 4.871 4.340 -0.000 0.000 0.289 443 L C -1.200 175.829 176.870 0.265 0.000 1.046 443 L CA -0.080 54.866 54.840 0.177 0.000 0.816 443 L CB 0.881 43.052 42.059 0.188 0.000 1.197 443 L HN 0.829 nan 8.230 nan 0.000 0.427 444 F N 6.874 126.887 119.950 0.104 0.000 2.432 444 F HA 0.562 5.088 4.527 -0.000 0.000 0.329 444 F C 0.056 175.959 175.800 0.172 0.000 1.076 444 F CA -0.637 57.403 58.000 0.067 0.000 1.018 444 F CB 1.336 40.456 39.000 0.201 0.000 1.201 444 F HN 0.662 nan 8.300 nan 0.000 0.489 445 N N 3.277 121.701 118.700 -0.459 0.000 3.322 445 N HA 0.234 4.974 4.740 -0.000 0.000 0.233 445 N C -2.240 173.061 175.510 -0.348 0.000 1.399 445 N CA -0.775 52.175 53.050 -0.166 0.000 0.894 445 N CB 1.878 40.429 38.487 0.107 0.000 1.440 445 N HN 0.831 nan 8.380 nan 0.000 0.503 446 R N 1.337 121.813 120.500 -0.041 0.000 2.514 446 R HA 0.338 4.678 4.340 -0.000 0.000 0.296 446 R C -0.981 175.332 176.300 0.022 0.000 1.012 446 R CA -0.340 55.722 56.100 -0.063 0.000 0.897 446 R CB 1.414 31.680 30.300 -0.057 0.000 1.184 446 R HN 0.647 nan 8.270 nan 0.000 0.440 447 Q N 3.897 123.697 119.800 0.000 0.000 2.260 447 Q HA 0.375 4.714 4.340 -0.000 0.000 0.238 447 Q C -2.004 173.994 176.000 -0.003 0.000 0.948 447 Q CA -1.905 53.903 55.803 0.008 0.000 0.895 447 Q CB 0.883 29.629 28.738 0.013 0.000 1.218 447 Q HN 0.473 nan 8.270 nan 0.000 0.470 448 P HA 0.010 nan 4.420 nan 0.000 0.267 448 P C -1.061 176.230 177.300 -0.015 0.000 1.205 448 P CA -0.071 63.022 63.100 -0.012 0.000 0.765 448 P CB 0.737 32.423 31.700 -0.022 0.000 0.828 449 S N 3.420 119.117 115.700 -0.006 0.000 2.399 449 S HA 0.271 4.741 4.470 -0.000 0.000 0.301 449 S C 0.657 175.241 174.600 -0.028 0.000 1.093 449 S CA -0.518 57.680 58.200 -0.003 0.000 1.077 449 S CB 0.024 63.234 63.200 0.016 0.000 0.980 449 S HN 0.351 nan 8.310 nan 0.000 0.494 450 L N 0.719 121.911 121.223 -0.051 0.000 3.298 450 L HA 0.501 4.841 4.340 -0.000 0.000 0.296 450 L C 0.021 176.862 176.870 -0.048 0.000 1.237 450 L CA -0.021 54.770 54.840 -0.080 0.000 1.038 450 L CB -1.016 40.963 42.059 -0.134 0.000 1.423 450 L HN 0.608 nan 8.230 nan 0.000 0.605 451 H N -0.580 118.433 119.070 -0.095 0.000 2.821 451 H HA 0.389 4.945 4.556 -0.000 0.000 0.373 451 H C 0.215 175.473 175.328 -0.117 0.000 1.165 451 H CA -0.778 55.199 56.048 -0.118 0.000 1.154 451 H CB 2.725 32.405 29.762 -0.137 0.000 1.765 451 H HN -0.098 nan 8.280 nan 0.000 0.549 452 K N 1.622 121.991 120.400 -0.052 0.000 2.097 452 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 452 K C 1.552 178.075 176.600 -0.128 0.000 1.049 452 K CA 1.585 57.812 56.287 -0.100 0.000 0.933 452 K CB 0.098 32.514 32.500 -0.139 0.000 0.717 452 K HN 0.513 nan 8.250 nan 0.000 0.442 453 M N 0.066 119.535 119.600 -0.217 0.000 2.358 453 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 453 M C 1.873 177.984 176.300 -0.314 0.000 1.064 453 M CA 1.118 56.239 55.300 -0.298 0.000 1.093 453 M CB 0.029 32.364 32.600 -0.441 0.000 1.401 453 M HN -0.105 nan 8.290 nan 0.000 0.440 454 S N 0.027 115.661 115.700 -0.109 0.000 2.493 454 S HA 0.028 4.497 4.470 -0.000 0.000 0.243 454 S C 0.604 175.214 174.600 0.016 0.000 0.991 454 S CA 0.857 59.016 58.200 -0.069 0.000 0.957 454 S CB -0.271 62.947 63.200 0.030 0.000 0.756 454 S HN 0.407 nan 8.310 nan 0.000 0.521 455 M N 0.864 120.450 119.600 -0.023 0.000 2.213 455 M HA 0.499 4.979 4.480 -0.000 0.000 0.286 455 M C -1.149 175.170 176.300 0.032 0.000 1.008 455 M CA 0.125 55.492 55.300 0.111 0.000 0.937 455 M CB 2.128 34.778 32.600 0.084 0.000 1.600 455 M HN 0.024 nan 8.290 nan 0.000 0.450 456 M N 1.727 121.405 119.600 0.129 0.000 2.531 456 M HA 0.697 5.177 4.480 -0.000 0.000 0.286 456 M C -0.814 175.406 176.300 -0.133 0.000 1.232 456 M CA -0.812 54.458 55.300 -0.050 0.000 0.877 456 M CB 2.645 35.158 32.600 -0.144 0.000 1.726 456 M HN 0.754 nan 8.290 nan 0.000 0.463 457 A N 1.859 124.563 122.820 -0.193 0.000 2.320 457 A HA 0.621 4.940 4.320 -0.000 0.000 0.287 457 A C -0.874 176.525 177.584 -0.310 0.000 1.181 457 A CA -0.311 51.628 52.037 -0.163 0.000 0.831 457 A CB 0.086 19.038 19.000 -0.079 0.000 1.102 457 A HN 0.812 nan 8.150 nan 0.000 0.513 458 H N 1.354 120.428 119.070 0.007 0.000 2.676 458 H HA 0.444 5.000 4.556 -0.000 0.000 0.352 458 H C -0.384 174.898 175.328 -0.077 0.000 1.193 458 H CA -0.613 55.406 56.048 -0.049 0.000 1.243 458 H CB 1.287 30.971 29.762 -0.131 0.000 1.751 458 H HN 0.679 nan 8.280 nan 0.000 0.567 459 R N 0.574 121.114 120.500 0.067 0.000 2.265 459 R HA 0.317 4.657 4.340 -0.000 0.000 0.319 459 R C -0.383 175.892 176.300 -0.042 0.000 1.006 459 R CA -0.669 55.430 56.100 -0.003 0.000 0.880 459 R CB 1.321 31.617 30.300 -0.006 0.000 1.077 459 R HN 0.174 nan 8.270 nan 0.000 0.454 460 V N 3.764 123.644 119.914 -0.056 0.000 2.637 460 V HA 0.047 4.167 4.120 -0.000 0.000 0.296 460 V C 0.235 176.289 176.094 -0.067 0.000 1.046 460 V CA 0.474 62.725 62.300 -0.082 0.000 1.066 460 V CB 0.991 32.781 31.823 -0.055 0.000 0.968 460 V HN 0.515 nan 8.190 nan 0.000 0.483 461 K N 4.595 124.941 120.400 -0.090 0.000 2.616 461 K HA 0.338 4.658 4.320 -0.000 0.000 0.241 461 K C -1.049 175.507 176.600 -0.073 0.000 0.961 461 K CA -0.502 55.743 56.287 -0.070 0.000 0.942 461 K CB 1.562 34.015 32.500 -0.079 0.000 1.153 461 K HN 0.463 nan 8.250 nan 0.000 0.452 462 V N 5.510 125.384 119.914 -0.067 0.000 2.529 462 V HA 0.252 4.371 4.120 -0.000 0.000 0.292 462 V C 0.855 176.884 176.094 -0.109 0.000 1.028 462 V CA -0.252 61.970 62.300 -0.130 0.000 1.074 462 V CB -0.649 31.037 31.823 -0.228 0.000 0.958 462 V HN 0.597 nan 8.190 nan 0.000 0.481 463 I N 2.681 123.192 120.570 -0.099 0.000 3.191 463 I HA 0.805 4.975 4.170 -0.000 0.000 0.313 463 I C -2.694 173.394 176.117 -0.049 0.000 1.193 463 I CA -2.535 58.735 61.300 -0.050 0.000 0.968 463 I CB 2.438 40.431 38.000 -0.012 0.000 1.262 463 I HN 0.372 nan 8.210 nan 0.000 0.456 464 P HA 0.337 nan 4.420 nan 0.000 0.302 464 P C -1.286 176.047 177.300 0.055 0.000 1.307 464 P CA -0.054 63.002 63.100 -0.073 0.000 0.754 464 P CB 0.308 31.928 31.700 -0.134 0.000 1.298 465 Y N -2.907 117.353 120.300 -0.066 0.000 2.508 465 Y HA -0.214 4.336 4.550 -0.000 0.000 0.043 465 Y C 1.421 177.274 175.900 -0.078 0.000 1.703 465 Y CA 0.796 58.856 58.100 -0.067 0.000 1.418 465 Y CB -2.227 36.195 38.460 -0.063 0.000 2.063 465 Y HN 0.228 nan 8.280 nan 0.000 0.254 466 S N -0.262 115.478 115.700 0.066 0.000 2.906 466 S HA 0.174 4.644 4.470 -0.000 0.000 0.234 466 S C 0.411 174.957 174.600 -0.090 0.000 0.973 466 S CA 0.377 58.558 58.200 -0.032 0.000 1.036 466 S CB -0.734 62.435 63.200 -0.050 0.000 0.798 466 S HN 0.736 nan 8.310 nan 0.000 0.498 467 T N -1.594 112.928 114.554 -0.053 0.000 2.930 467 T HA 0.648 4.998 4.350 -0.000 0.000 0.290 467 T C -0.473 174.232 174.700 0.007 0.000 1.052 467 T CA -0.938 61.098 62.100 -0.106 0.000 1.017 467 T CB 0.750 69.575 68.868 -0.071 0.000 1.137 467 T HN 0.142 nan 8.240 nan 0.000 0.511 468 F N 1.694 121.631 119.950 -0.022 0.000 2.413 468 F HA 0.366 4.893 4.527 -0.000 0.000 0.359 468 F C 1.327 177.075 175.800 -0.086 0.000 1.122 468 F CA -1.153 56.809 58.000 -0.063 0.000 1.160 468 F CB 0.791 39.839 39.000 0.081 0.000 1.146 468 F HN 0.236 nan 8.300 nan 0.000 0.514 469 R N 5.883 126.402 120.500 0.033 0.000 2.204 469 R HA 0.375 4.715 4.340 -0.000 0.000 0.341 469 R C -0.785 175.443 176.300 -0.121 0.000 1.035 469 R CA -0.712 55.347 56.100 -0.068 0.000 0.887 469 R CB 0.849 31.099 30.300 -0.084 0.000 1.114 469 R HN 0.571 nan 8.270 nan 0.000 0.473 470 L N -0.255 120.931 121.223 -0.062 0.000 2.334 470 L HA 0.531 4.871 4.340 -0.000 0.000 0.272 470 L C 0.188 177.067 176.870 0.015 0.000 1.020 470 L CA -0.994 53.801 54.840 -0.075 0.000 0.812 470 L CB 1.010 43.101 42.059 0.053 0.000 1.264 470 L HN 0.303 nan 8.230 nan 0.000 0.439 471 N N 1.346 120.046 118.700 -0.001 0.000 2.482 471 N HA 0.113 4.853 4.740 -0.000 0.000 0.260 471 N C 0.671 176.258 175.510 0.128 0.000 1.236 471 N CA 0.035 53.116 53.050 0.052 0.000 0.938 471 N CB 1.116 39.619 38.487 0.027 0.000 1.128 471 N HN 0.916 nan 8.380 nan 0.000 0.448 472 L N 1.835 123.146 121.223 0.146 0.000 1.976 472 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 472 L C 2.380 179.324 176.870 0.123 0.000 1.071 472 L CA 1.155 56.103 54.840 0.180 0.000 0.746 472 L CB -0.525 41.641 42.059 0.178 0.000 0.890 472 L HN 0.570 nan 8.230 nan 0.000 0.432 473 S N -1.004 114.746 115.700 0.082 0.000 2.440 473 S HA -0.181 4.289 4.470 -0.000 0.000 0.240 473 S C 1.511 176.081 174.600 -0.050 0.000 1.014 473 S CA 1.192 59.399 58.200 0.012 0.000 0.980 473 S CB -0.250 62.891 63.200 -0.099 0.000 0.775 473 S HN 0.308 nan 8.310 nan 0.000 0.499 474 V N 1.303 121.225 119.914 0.013 0.000 3.577 474 V HA 0.061 4.181 4.120 -0.000 0.000 0.294 474 V C 1.773 178.013 176.094 0.243 0.000 1.317 474 V CA 0.923 63.290 62.300 0.111 0.000 1.169 474 V CB -0.493 31.474 31.823 0.240 0.000 1.011 474 V HN 0.519 nan 8.190 nan 0.000 0.426 475 T N 0.527 115.175 114.554 0.156 0.000 2.612 475 T HA -0.168 4.182 4.350 -0.000 0.000 0.251 475 T C 2.259 177.027 174.700 0.112 0.000 1.090 475 T CA 2.300 64.480 62.100 0.135 0.000 1.198 475 T CB -0.386 68.505 68.868 0.039 0.000 0.878 475 T HN 0.809 nan 8.240 nan 0.000 0.401 476 S N 2.180 117.911 115.700 0.051 0.000 2.413 476 S HA -0.118 4.352 4.470 -0.000 0.000 0.237 476 S C -0.616 174.005 174.600 0.036 0.000 1.044 476 S CA 1.664 59.884 58.200 0.033 0.000 1.024 476 S CB -2.030 61.186 63.200 0.025 0.000 0.829 476 S HN 0.472 nan 8.310 nan 0.000 0.475 477 P HA -0.061 nan 4.420 nan 0.000 0.215 477 P C 0.887 178.124 177.300 -0.106 0.000 1.157 477 P CA 1.205 64.255 63.100 -0.083 0.000 0.868 477 P CB -0.208 31.356 31.700 -0.227 0.000 0.788 478 Y N -2.311 118.011 120.300 0.035 0.000 2.519 478 Y HA 0.094 4.644 4.550 -0.000 0.000 0.287 478 Y C 0.781 176.666 175.900 -0.026 0.000 1.128 478 Y CA 0.328 58.429 58.100 0.001 0.000 1.282 478 Y CB -0.596 37.842 38.460 -0.037 0.000 1.027 478 Y HN -0.037 nan 8.280 nan 0.000 0.551 479 N N 0.564 119.329 118.700 0.107 0.000 2.643 479 N HA -0.155 4.585 4.740 -0.000 0.000 0.267 479 N C -1.169 174.344 175.510 0.004 0.000 1.158 479 N CA 0.743 53.809 53.050 0.027 0.000 0.684 479 N CB -0.995 37.486 38.487 -0.011 0.000 0.879 479 N HN 0.385 nan 8.380 nan 0.000 0.553 480 A N 1.347 124.151 122.820 -0.027 0.000 2.539 480 A HA 0.719 5.039 4.320 -0.000 0.000 0.296 480 A C -0.727 176.689 177.584 -0.280 0.000 1.073 480 A CA -0.178 51.794 52.037 -0.109 0.000 0.700 480 A CB 1.404 20.359 19.000 -0.076 0.000 1.296 480 A HN 0.554 nan 8.150 nan 0.000 0.405 481 D N -1.018 119.184 120.400 -0.331 0.000 2.689 481 D HA 0.594 5.234 4.640 -0.000 0.000 0.255 481 D C -0.542 175.413 176.300 -0.575 0.000 1.113 481 D CA -0.547 53.131 54.000 -0.536 0.000 1.115 481 D CB 0.307 40.961 40.800 -0.242 0.000 1.334 481 D HN 0.282 nan 8.370 nan 0.000 0.621 482 F N -0.564 119.396 119.950 0.017 0.000 2.772 482 F HA 0.171 4.698 4.527 -0.000 0.000 0.302 482 F C 0.365 176.167 175.800 0.003 0.000 1.136 482 F CA -0.815 57.191 58.000 0.011 0.000 1.322 482 F CB 0.283 39.291 39.000 0.012 0.000 0.967 482 F HN 0.154 nan 8.300 nan 0.000 0.513 483 D N -0.032 120.423 120.400 0.091 0.000 3.008 483 D HA 0.233 4.873 4.640 -0.000 0.000 0.242 483 D C 1.463 177.790 176.300 0.044 0.000 1.222 483 D CA 0.036 54.071 54.000 0.058 0.000 0.883 483 D CB -0.005 40.807 40.800 0.020 0.000 1.110 483 D HN 0.397 nan 8.370 nan 0.000 0.455 484 G N 0.249 109.087 108.800 0.064 0.000 2.157 484 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.239 484 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.239 484 G C -0.372 174.548 174.900 0.034 0.000 0.982 484 G CA -0.319 44.804 45.100 0.039 0.000 0.650 484 G HN 0.449 nan 8.290 nan 0.000 0.527 485 D N 1.358 121.788 120.400 0.050 0.000 2.425 485 D HA 0.471 5.111 4.640 -0.000 0.000 0.247 485 D C 0.780 177.110 176.300 0.051 0.000 1.147 485 D CA 0.543 54.563 54.000 0.034 0.000 0.879 485 D CB 0.699 41.509 40.800 0.016 0.000 1.179 485 D HN 0.543 nan 8.370 nan 0.000 0.456 486 E N 1.580 121.794 120.200 0.023 0.000 2.232 486 E HA 0.608 4.958 4.350 -0.000 0.000 0.265 486 E C -0.110 176.500 176.600 0.017 0.000 1.001 486 E CA -0.762 55.651 56.400 0.022 0.000 0.870 486 E CB 1.693 31.394 29.700 0.002 0.000 1.175 486 E HN 0.297 nan 8.360 nan 0.000 0.407 487 M N 1.023 120.663 119.600 0.067 0.000 2.622 487 M HA 0.365 4.845 4.480 -0.000 0.000 0.276 487 M C -1.228 175.134 176.300 0.103 0.000 1.265 487 M CA -0.974 54.316 55.300 -0.017 0.000 0.850 487 M CB 2.222 34.696 32.600 -0.210 0.000 1.720 487 M HN 0.386 nan 8.290 nan 0.000 0.465 488 N N 1.318 119.948 118.700 -0.117 0.000 2.430 488 N HA 0.780 5.520 4.740 -0.000 0.000 0.298 488 N C -1.657 173.780 175.510 -0.121 0.000 1.130 488 N CA -0.503 52.507 53.050 -0.066 0.000 0.894 488 N CB 2.184 40.596 38.487 -0.125 0.000 1.209 488 N HN 0.453 nan 8.380 nan 0.000 0.503 489 L N 1.617 122.740 121.223 -0.166 0.000 2.470 489 L HA 0.396 4.735 4.340 -0.000 0.000 0.268 489 L C -1.518 175.174 176.870 -0.298 0.000 0.964 489 L CA -0.427 54.329 54.840 -0.140 0.000 0.839 489 L CB 1.245 43.186 42.059 -0.198 0.000 1.276 489 L HN 0.518 nan 8.230 nan 0.000 0.403 490 H N 4.285 123.430 119.070 0.126 0.000 2.505 490 H HA 0.536 5.092 4.556 -0.000 0.000 0.338 490 H C -0.993 174.408 175.328 0.122 0.000 1.057 490 H CA -0.583 55.542 56.048 0.128 0.000 1.202 490 H CB 2.372 32.198 29.762 0.105 0.000 1.466 490 H HN 0.349 nan 8.280 nan 0.000 0.499 491 V N 6.923 127.004 119.914 0.279 0.000 2.348 491 V HA 0.138 4.258 4.120 -0.000 0.000 0.270 491 V C -1.619 174.590 176.094 0.191 0.000 1.037 491 V CA -1.396 61.040 62.300 0.228 0.000 0.872 491 V CB 1.151 33.150 31.823 0.293 0.000 1.002 491 V HN 0.645 nan 8.190 nan 0.000 0.464 492 P HA -0.006 nan 4.420 nan 0.000 0.273 492 P C -0.336 177.047 177.300 0.139 0.000 1.252 492 P CA 0.229 63.389 63.100 0.100 0.000 0.809 492 P CB 1.275 33.022 31.700 0.078 0.000 1.017 493 Q N -1.650 118.207 119.800 0.095 0.000 2.237 493 Q HA 0.205 4.545 4.340 -0.000 0.000 0.254 493 Q C -0.030 175.971 176.000 0.001 0.000 0.771 493 Q CA 0.433 56.237 55.803 0.002 0.000 0.958 493 Q CB 0.511 29.102 28.738 -0.246 0.000 1.202 493 Q HN 0.342 nan 8.270 nan 0.000 0.492 494 S N 0.378 116.115 115.700 0.060 0.000 2.482 494 S HA 0.191 4.661 4.470 -0.000 0.000 0.303 494 S C 0.317 174.992 174.600 0.125 0.000 1.091 494 S CA -0.454 57.774 58.200 0.047 0.000 1.057 494 S CB 1.617 64.817 63.200 0.000 0.000 1.031 494 S HN 0.195 nan 8.310 nan 0.000 0.485 495 E N 2.651 122.938 120.200 0.144 0.000 2.236 495 E HA -0.273 4.076 4.350 -0.000 0.000 0.205 495 E C 1.613 178.266 176.600 0.087 0.000 1.028 495 E CA 2.401 58.889 56.400 0.146 0.000 0.827 495 E CB -0.011 29.759 29.700 0.117 0.000 0.735 495 E HN 0.843 nan 8.360 nan 0.000 0.470 496 E N -2.049 118.189 120.200 0.064 0.000 2.230 496 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 496 E C 1.934 178.555 176.600 0.035 0.000 0.987 496 E CA 1.183 57.610 56.400 0.045 0.000 0.841 496 E CB -0.321 29.401 29.700 0.036 0.000 0.783 496 E HN 0.039 nan 8.360 nan 0.000 0.481 497 T N 1.498 116.076 114.554 0.038 0.000 2.614 497 T HA -0.149 4.201 4.350 -0.000 0.000 0.263 497 T C 1.770 176.488 174.700 0.029 0.000 1.055 497 T CA 1.770 63.886 62.100 0.027 0.000 1.162 497 T CB -0.242 68.645 68.868 0.032 0.000 0.863 497 T HN 0.216 nan 8.240 nan 0.000 0.414 498 R N 1.596 122.122 120.500 0.044 0.000 2.143 498 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 498 R C 2.772 179.074 176.300 0.004 0.000 1.126 498 R CA 1.667 57.775 56.100 0.013 0.000 0.927 498 R CB -1.103 29.192 30.300 -0.008 0.000 0.860 498 R HN 0.403 nan 8.270 nan 0.000 0.433 499 A N 1.275 124.103 122.820 0.014 0.000 1.940 499 A HA -0.306 4.013 4.320 -0.000 0.000 0.221 499 A C 2.121 179.708 177.584 0.006 0.000 1.190 499 A CA 2.087 54.130 52.037 0.011 0.000 0.647 499 A CB -0.633 18.382 19.000 0.024 0.000 0.821 499 A HN 0.529 nan 8.150 nan 0.000 0.457 500 E N -0.767 119.437 120.200 0.007 0.000 2.110 500 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 500 E C 1.965 178.558 176.600 -0.012 0.000 0.988 500 E CA 1.037 57.436 56.400 -0.001 0.000 0.804 500 E CB -0.163 29.534 29.700 -0.004 0.000 0.745 500 E HN 0.685 nan 8.360 nan 0.000 0.458 501 L N 0.250 121.467 121.223 -0.010 0.000 2.023 501 L HA -0.159 4.180 4.340 -0.000 0.000 0.205 501 L C 2.683 179.536 176.870 -0.029 0.000 1.073 501 L CA 1.403 56.233 54.840 -0.017 0.000 0.745 501 L CB -0.429 41.626 42.059 -0.006 0.000 0.900 501 L HN 0.183 nan 8.230 nan 0.000 0.435 502 S N -1.351 114.334 115.700 -0.024 0.000 2.423 502 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 502 S C 1.895 176.480 174.600 -0.025 0.000 1.014 502 S CA 0.889 59.072 58.200 -0.028 0.000 0.965 502 S CB -0.170 63.016 63.200 -0.023 0.000 0.785 502 S HN 0.305 nan 8.310 nan 0.000 0.495 503 Q N -0.143 119.645 119.800 -0.019 0.000 2.402 503 Q HA 0.443 4.783 4.340 -0.000 0.000 0.206 503 Q C 1.098 177.080 176.000 -0.029 0.000 0.919 503 Q CA 0.625 56.417 55.803 -0.018 0.000 0.923 503 Q CB 0.186 28.922 28.738 -0.004 0.000 1.048 503 Q HN 0.600 nan 8.270 nan 0.000 0.515 504 L N -3.129 118.072 121.223 -0.037 0.000 3.066 504 L HA 0.162 4.502 4.340 -0.000 0.000 0.272 504 L C 1.194 178.027 176.870 -0.061 0.000 1.101 504 L CA 0.285 55.095 54.840 -0.051 0.000 1.022 504 L CB 0.252 42.282 42.059 -0.049 0.000 1.600 504 L HN -0.000 nan 8.230 nan 0.000 0.559 505 C N 0.662 119.928 119.300 -0.057 0.000 2.735 505 C HA 0.548 5.008 4.460 -0.000 0.000 0.271 505 C C 1.589 176.523 174.990 -0.093 0.000 1.281 505 C CA -0.663 58.313 59.018 -0.069 0.000 1.719 505 C CB -0.719 26.992 27.740 -0.048 0.000 2.024 505 C HN 0.396 nan 8.230 nan 0.000 0.566 506 A N 1.312 124.082 122.820 -0.083 0.000 2.580 506 A HA 0.238 4.558 4.320 -0.000 0.000 0.244 506 A C 1.438 178.954 177.584 -0.113 0.000 1.045 506 A CA 0.418 52.397 52.037 -0.097 0.000 0.761 506 A CB 0.233 19.196 19.000 -0.061 0.000 0.962 506 A HN 0.325 nan 8.150 nan 0.000 0.512 507 V N 4.340 124.160 119.914 -0.158 0.000 2.278 507 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 507 V C -0.322 175.721 176.094 -0.086 0.000 1.062 507 V CA 2.683 64.902 62.300 -0.134 0.000 1.038 507 V CB -1.598 30.163 31.823 -0.104 0.000 0.646 507 V HN 0.829 nan 8.190 nan 0.000 0.447 508 P HA -0.113 nan 4.420 nan 0.000 0.226 508 P C 1.569 178.855 177.300 -0.023 0.000 1.146 508 P CA 1.253 64.340 63.100 -0.021 0.000 0.773 508 P CB -0.058 31.643 31.700 0.001 0.000 0.772 509 L N -1.252 119.942 121.223 -0.048 0.000 2.145 509 L HA -0.041 4.299 4.340 -0.000 0.000 0.201 509 L C 2.107 178.936 176.870 -0.069 0.000 1.075 509 L CA 0.823 55.633 54.840 -0.051 0.000 0.773 509 L CB -0.914 41.110 42.059 -0.058 0.000 0.936 509 L HN -0.161 nan 8.230 nan 0.000 0.451 510 Q N 0.470 120.214 119.800 -0.094 0.000 2.561 510 Q HA -0.056 4.284 4.340 -0.000 0.000 0.217 510 Q C 2.069 178.000 176.000 -0.114 0.000 0.980 510 Q CA 0.891 56.620 55.803 -0.123 0.000 0.927 510 Q CB -0.364 28.276 28.738 -0.163 0.000 0.980 510 Q HN 0.602 nan 8.270 nan 0.000 0.525 511 I N -0.420 120.108 120.570 -0.071 0.000 2.194 511 I HA -0.187 3.983 4.170 -0.000 0.000 0.246 511 I C 0.842 176.937 176.117 -0.036 0.000 1.093 511 I CA 0.818 62.100 61.300 -0.030 0.000 1.355 511 I CB -0.026 38.002 38.000 0.048 0.000 1.046 511 I HN -0.086 nan 8.210 nan 0.000 0.413 512 V N 1.331 121.212 119.914 -0.054 0.000 2.350 512 V HA 0.126 4.246 4.120 -0.000 0.000 0.276 512 V C 0.254 176.283 176.094 -0.108 0.000 1.028 512 V CA -0.224 62.031 62.300 -0.075 0.000 0.860 512 V CB 1.397 33.189 31.823 -0.052 0.000 0.990 512 V HN 0.192 nan 8.190 nan 0.000 0.453 513 S N 8.646 124.269 115.700 -0.128 0.000 2.474 513 S HA 0.305 4.775 4.470 -0.000 0.000 0.276 513 S C -0.924 173.617 174.600 -0.098 0.000 1.227 513 S CA -1.135 56.980 58.200 -0.143 0.000 1.050 513 S CB 1.104 64.204 63.200 -0.166 0.000 0.939 513 S HN 0.679 nan 8.310 nan 0.000 0.490 514 P HA -0.134 nan 4.420 nan 0.000 0.222 514 P C 0.980 178.346 177.300 0.111 0.000 1.153 514 P CA 0.794 63.911 63.100 0.029 0.000 0.798 514 P CB -0.030 31.709 31.700 0.064 0.000 0.796 515 Q N 1.091 120.901 119.800 0.018 0.000 2.541 515 Q HA -0.029 4.311 4.340 -0.000 0.000 0.215 515 Q C 0.791 176.766 176.000 -0.041 0.000 0.977 515 Q CA 1.431 57.232 55.803 -0.004 0.000 0.934 515 Q CB -0.614 28.042 28.738 -0.136 0.000 0.988 515 Q HN 0.232 nan 8.270 nan 0.000 0.521 516 S N -0.771 114.848 115.700 -0.134 0.000 2.885 516 S HA 0.086 4.556 4.470 -0.000 0.000 0.238 516 S C -0.552 173.870 174.600 -0.297 0.000 0.766 516 S CA -0.392 57.581 58.200 -0.377 0.000 1.089 516 S CB -1.240 61.795 63.200 -0.275 0.000 1.396 516 S HN 0.544 nan 8.310 nan 0.000 0.509 517 N N 2.201 120.809 118.700 -0.153 0.000 2.782 517 N HA -0.281 4.459 4.740 -0.000 0.000 0.274 517 N C -0.472 174.997 175.510 -0.068 0.000 0.962 517 N CA 1.880 54.898 53.050 -0.052 0.000 0.848 517 N CB -1.611 36.894 38.487 0.029 0.000 0.923 517 N HN 1.022 nan 8.380 nan 0.000 0.575 518 K N -2.470 117.827 120.400 -0.172 0.000 2.597 518 K HA 0.496 4.816 4.320 -0.000 0.000 0.282 518 K C -3.375 173.047 176.600 -0.297 0.000 0.975 518 K CA -1.842 54.227 56.287 -0.363 0.000 0.867 518 K CB 2.129 34.496 32.500 -0.222 0.000 1.465 518 K HN -0.093 nan 8.250 nan 0.000 0.417 519 P HA -0.034 nan 4.420 nan 0.000 0.268 519 P C 0.464 177.709 177.300 -0.092 0.000 1.208 519 P CA -0.225 62.789 63.100 -0.144 0.000 0.777 519 P CB 0.416 32.074 31.700 -0.070 0.000 0.875 520 C N 0.822 120.084 119.300 -0.063 0.000 3.098 520 C HA 0.633 5.093 4.460 -0.000 0.000 0.265 520 C C 0.078 175.051 174.990 -0.029 0.000 1.572 520 C CA -0.572 58.410 59.018 -0.060 0.000 1.788 520 C CB -1.348 26.320 27.740 -0.121 0.000 2.982 520 C HN 0.403 nan 8.230 nan 0.000 0.532 521 M N 0.732 120.345 119.600 0.023 0.000 2.470 521 M HA 0.660 5.140 4.480 -0.000 0.000 0.285 521 M C 0.065 176.500 176.300 0.226 0.000 1.213 521 M CA 0.211 55.539 55.300 0.046 0.000 0.901 521 M CB 2.370 34.912 32.600 -0.097 0.000 1.718 521 M HN 0.391 nan 8.290 nan 0.000 0.469 522 G N 1.693 110.663 108.800 0.283 0.000 2.896 522 G HA2 0.770 4.729 3.960 -0.000 0.000 0.247 522 G HA3 0.770 4.729 3.960 -0.000 0.000 0.247 522 G C -1.677 173.458 174.900 0.392 0.000 1.187 522 G CA -0.632 44.692 45.100 0.373 0.000 0.837 522 G HN 0.593 nan 8.290 nan 0.000 0.559 523 I N 1.202 121.890 120.570 0.197 0.000 2.389 523 I HA 0.535 4.705 4.170 -0.000 0.000 0.288 523 I C -0.425 175.754 176.117 0.104 0.000 0.999 523 I CA -0.719 60.677 61.300 0.161 0.000 1.129 523 I CB 1.662 39.709 38.000 0.079 0.000 1.288 523 I HN 0.121 nan 8.210 nan 0.000 0.444 524 V N 4.873 124.850 119.914 0.104 0.000 3.164 524 V HA 0.537 4.657 4.120 -0.000 0.000 0.313 524 V C 0.185 176.320 176.094 0.068 0.000 1.188 524 V CA -0.524 61.820 62.300 0.073 0.000 1.058 524 V CB 1.671 33.535 31.823 0.068 0.000 1.110 524 V HN 0.893 nan 8.190 nan 0.000 0.453 525 Q N -0.086 119.747 119.800 0.054 0.000 1.520 525 Q HA -0.320 4.020 4.340 -0.000 0.000 0.380 525 Q C 1.064 177.086 176.000 0.036 0.000 0.930 525 Q CA 1.871 57.707 55.803 0.055 0.000 0.725 525 Q CB -1.422 27.364 28.738 0.080 0.000 4.230 525 Q HN 0.971 nan 8.270 nan 0.000 0.635 526 D N 0.325 120.756 120.400 0.052 0.000 2.177 526 D HA -0.145 4.495 4.640 -0.000 0.000 0.189 526 D C 1.948 178.264 176.300 0.026 0.000 1.002 526 D CA 2.725 56.747 54.000 0.037 0.000 0.845 526 D CB -0.622 40.218 40.800 0.068 0.000 0.960 526 D HN 0.595 nan 8.370 nan 0.000 0.447 527 T N 0.591 115.177 114.554 0.054 0.000 2.737 527 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 527 T C 1.816 176.528 174.700 0.020 0.000 1.040 527 T CA 0.956 63.087 62.100 0.051 0.000 1.142 527 T CB -0.352 68.563 68.868 0.079 0.000 0.861 527 T HN 0.045 nan 8.240 nan 0.000 0.456 528 L N 0.837 122.070 121.223 0.017 0.000 1.993 528 L HA 0.048 4.388 4.340 -0.000 0.000 0.206 528 L C 2.739 179.584 176.870 -0.042 0.000 1.074 528 L CA 1.497 56.334 54.840 -0.006 0.000 0.746 528 L CB -1.391 40.673 42.059 0.008 0.000 0.896 528 L HN 0.374 nan 8.230 nan 0.000 0.435 529 C N 0.457 119.718 119.300 -0.065 0.000 2.367 529 C HA -0.207 4.253 4.460 -0.000 0.000 0.276 529 C C 2.865 177.770 174.990 -0.141 0.000 1.195 529 C CA 1.411 60.340 59.018 -0.147 0.000 1.756 529 C CB -1.720 25.871 27.740 -0.248 0.000 2.046 529 C HN 0.768 nan 8.230 nan 0.000 0.453 530 G N -0.443 108.309 108.800 -0.081 0.000 2.450 530 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 530 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 530 G C 1.584 176.465 174.900 -0.031 0.000 1.130 530 G CA 0.951 46.074 45.100 0.039 0.000 0.760 530 G HN 0.692 nan 8.290 nan 0.000 0.557 531 I N -0.019 120.505 120.570 -0.077 0.000 2.493 531 I HA -0.053 4.117 4.170 -0.000 0.000 0.254 531 I C 2.761 178.778 176.117 -0.167 0.000 1.160 531 I CA 1.034 62.251 61.300 -0.139 0.000 1.445 531 I CB -0.052 37.890 38.000 -0.097 0.000 1.086 531 I HN 0.210 nan 8.210 nan 0.000 0.433 532 R N 0.958 121.385 120.500 -0.121 0.000 2.057 532 R HA -0.149 4.191 4.340 -0.000 0.000 0.229 532 R C 2.254 178.480 176.300 -0.123 0.000 1.136 532 R CA 1.215 57.251 56.100 -0.106 0.000 0.952 532 R CB -0.162 30.095 30.300 -0.071 0.000 0.848 532 R HN 0.197 nan 8.270 nan 0.000 0.430 533 K N 0.677 121.022 120.400 -0.091 0.000 2.001 533 K HA -0.205 4.115 4.320 -0.000 0.000 0.214 533 K C 2.127 178.558 176.600 -0.281 0.000 1.050 533 K CA 1.653 57.925 56.287 -0.024 0.000 0.934 533 K CB -0.548 32.097 32.500 0.241 0.000 0.718 533 K HN 0.183 nan 8.250 nan 0.000 0.443 534 L N 1.645 122.423 121.223 -0.741 0.000 2.263 534 L HA -0.191 4.148 4.340 -0.000 0.000 0.216 534 L C 1.984 178.507 176.870 -0.577 0.000 1.111 534 L CA 1.779 55.916 54.840 -1.172 0.000 0.773 534 L CB -0.521 40.792 42.059 -1.244 0.000 0.906 534 L HN 0.150 nan 8.230 nan 0.000 0.439 535 T N -0.419 113.923 114.554 -0.352 0.000 2.684 535 T HA 0.041 4.391 4.350 -0.000 0.000 0.253 535 T C 0.758 175.351 174.700 -0.177 0.000 1.057 535 T CA 0.242 62.202 62.100 -0.234 0.000 1.162 535 T CB -0.319 68.450 68.868 -0.165 0.000 0.868 535 T HN 0.183 nan 8.240 nan 0.000 0.409 536 L N 2.340 123.494 121.223 -0.115 0.000 4.111 536 L HA -0.244 4.096 4.340 -0.000 0.000 0.508 536 L C 1.696 178.526 176.870 -0.068 0.000 1.131 536 L CA 0.077 54.883 54.840 -0.057 0.000 0.614 536 L CB 0.153 42.208 42.059 -0.007 0.000 0.820 536 L HN 0.293 nan 8.230 nan 0.000 0.967 537 R N 1.866 122.346 120.500 -0.035 0.000 2.133 537 R HA -0.237 4.103 4.340 -0.000 0.000 0.247 537 R C 1.559 177.892 176.300 0.056 0.000 1.151 537 R CA 1.857 57.936 56.100 -0.035 0.000 0.971 537 R CB -0.291 30.027 30.300 0.030 0.000 0.866 537 R HN 0.704 nan 8.270 nan 0.000 0.447 538 D N 0.303 120.788 120.400 0.141 0.000 2.221 538 D HA -0.083 4.557 4.640 -0.000 0.000 0.204 538 D C -0.100 176.433 176.300 0.389 0.000 0.982 538 D CA 0.924 55.086 54.000 0.270 0.000 0.857 538 D CB 0.026 40.920 40.800 0.157 0.000 0.934 538 D HN 0.027 nan 8.370 nan 0.000 0.475 539 T N 0.743 115.394 114.554 0.161 0.000 2.737 539 T HA 0.281 4.631 4.350 -0.000 0.000 0.296 539 T C -0.504 174.194 174.700 -0.004 0.000 0.922 539 T CA -0.058 62.129 62.100 0.145 0.000 1.079 539 T CB 0.068 68.925 68.868 -0.018 0.000 0.892 539 T HN -0.131 nan 8.240 nan 0.000 0.514 540 F N 2.701 122.711 119.950 0.099 0.000 2.551 540 F HA 0.644 5.171 4.527 -0.000 0.000 0.316 540 F C 0.038 175.941 175.800 0.172 0.000 1.089 540 F CA -1.391 56.678 58.000 0.115 0.000 0.915 540 F CB 1.364 40.417 39.000 0.090 0.000 1.186 540 F HN 0.327 nan 8.300 nan 0.000 0.456 541 I N 2.080 122.868 120.570 0.364 0.000 2.509 541 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 541 I C -0.579 175.781 176.117 0.406 0.000 1.020 541 I CA -0.816 60.679 61.300 0.326 0.000 1.088 541 I CB 2.088 40.229 38.000 0.235 0.000 1.267 541 I HN 0.614 nan 8.210 nan 0.000 0.430 542 E N 5.323 125.712 120.200 0.315 0.000 2.283 542 E HA 0.225 4.575 4.350 -0.000 0.000 0.267 542 E C 0.730 177.490 176.600 0.266 0.000 1.045 542 E CA -0.742 55.876 56.400 0.363 0.000 0.884 542 E CB 1.872 31.715 29.700 0.238 0.000 1.106 542 E HN 0.465 nan 8.360 nan 0.000 0.408 543 L N 2.521 123.986 121.223 0.403 0.000 2.114 543 L HA -0.410 3.930 4.340 -0.000 0.000 0.245 543 L C 1.979 178.828 176.870 -0.035 0.000 1.114 543 L CA 3.152 58.066 54.840 0.124 0.000 0.843 543 L CB -1.014 41.208 42.059 0.272 0.000 0.945 543 L HN 0.969 nan 8.230 nan 0.000 0.446 544 D N -1.278 119.151 120.400 0.047 0.000 2.248 544 D HA -0.354 4.286 4.640 -0.000 0.000 0.191 544 D C 1.931 178.243 176.300 0.020 0.000 1.013 544 D CA 2.486 56.507 54.000 0.035 0.000 0.883 544 D CB -0.648 40.190 40.800 0.064 0.000 0.915 544 D HN 0.796 nan 8.370 nan 0.000 0.448 545 Q N -0.231 119.582 119.800 0.022 0.000 2.134 545 Q HA 0.033 4.373 4.340 -0.000 0.000 0.195 545 Q C 2.431 178.401 176.000 -0.051 0.000 0.958 545 Q CA 0.394 56.220 55.803 0.039 0.000 0.840 545 Q CB 0.311 29.086 28.738 0.062 0.000 0.918 545 Q HN 0.163 nan 8.270 nan 0.000 0.467 546 V N 1.513 121.313 119.914 -0.191 0.000 2.828 546 V HA -0.252 3.868 4.120 -0.000 0.000 0.260 546 V C 2.017 177.835 176.094 -0.461 0.000 1.101 546 V CA 1.256 63.296 62.300 -0.434 0.000 1.123 546 V CB -0.417 30.814 31.823 -0.987 0.000 0.704 546 V HN 0.383 nan 8.190 nan 0.000 0.493 547 L N -0.695 120.337 121.223 -0.318 0.000 2.127 547 L HA -0.004 4.336 4.340 -0.000 0.000 0.203 547 L C 2.378 179.129 176.870 -0.198 0.000 1.080 547 L CA 0.938 55.610 54.840 -0.280 0.000 0.768 547 L CB -0.547 41.419 42.059 -0.156 0.000 0.924 547 L HN 0.334 nan 8.230 nan 0.000 0.444 548 N N 0.188 118.847 118.700 -0.069 0.000 2.142 548 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 548 N C 1.915 177.392 175.510 -0.056 0.000 1.023 548 N CA 1.309 54.362 53.050 0.006 0.000 0.852 548 N CB -0.126 38.407 38.487 0.077 0.000 0.998 548 N HN 0.274 nan 8.380 nan 0.000 0.424 549 M N 0.658 120.229 119.600 -0.049 0.000 2.080 549 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 549 M C 2.108 178.315 176.300 -0.155 0.000 1.068 549 M CA 1.344 56.611 55.300 -0.056 0.000 1.109 549 M CB -0.457 32.130 32.600 -0.023 0.000 1.342 549 M HN 0.093 nan 8.290 nan 0.000 0.405 550 L N -1.383 119.608 121.223 -0.386 0.000 2.012 550 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 550 L C 2.605 179.173 176.870 -0.504 0.000 1.073 550 L CA 1.456 55.826 54.840 -0.785 0.000 0.748 550 L CB -1.038 40.108 42.059 -1.523 0.000 0.891 550 L HN 0.256 nan 8.230 nan 0.000 0.431 551 Y N -0.484 119.566 120.300 -0.417 0.000 2.315 551 Y HA -0.275 4.275 4.550 -0.000 0.000 0.288 551 Y C 2.062 177.963 175.900 0.001 0.000 1.154 551 Y CA 0.944 58.987 58.100 -0.095 0.000 1.229 551 Y CB -0.515 37.925 38.460 -0.035 0.000 0.980 551 Y HN 0.121 nan 8.280 nan 0.000 0.540 552 W N -0.302 120.826 121.300 -0.287 0.000 2.402 552 W HA 0.010 4.670 4.660 -0.000 0.000 0.286 552 W C 0.711 177.112 176.519 -0.197 0.000 1.221 552 W CA 1.104 58.255 57.345 -0.325 0.000 1.257 552 W CB -0.799 28.471 29.460 -0.316 0.000 1.120 552 W HN -0.382 nan 8.180 nan 0.000 0.551 553 V N 4.929 124.890 119.914 0.078 0.000 2.403 553 V HA -0.046 4.074 4.120 -0.000 0.000 0.265 553 V C -0.779 175.359 176.094 0.074 0.000 1.034 553 V CA -0.633 61.716 62.300 0.080 0.000 1.036 553 V CB 0.322 32.208 31.823 0.104 0.000 1.032 553 V HN -0.040 nan 8.190 nan 0.000 0.478 554 P HA -0.154 nan 4.420 nan 0.000 0.222 554 P C 0.472 177.799 177.300 0.045 0.000 1.142 554 P CA 1.226 64.306 63.100 -0.033 0.000 0.788 554 P CB 0.392 32.050 31.700 -0.070 0.000 0.767 555 D N -2.343 118.111 120.400 0.090 0.000 2.440 555 D HA 0.015 4.655 4.640 -0.000 0.000 0.216 555 D C 0.215 176.603 176.300 0.147 0.000 1.150 555 D CA -0.410 53.643 54.000 0.089 0.000 0.832 555 D CB -0.264 40.574 40.800 0.063 0.000 0.992 555 D HN 0.181 nan 8.370 nan 0.000 0.502 556 W N 4.563 125.873 121.300 0.017 0.000 2.322 556 W HA -0.030 4.630 4.660 -0.000 0.000 0.328 556 W C 1.040 177.579 176.519 0.034 0.000 1.395 556 W CA -0.687 56.677 57.345 0.031 0.000 1.267 556 W CB 0.528 30.020 29.460 0.054 0.000 1.259 556 W HN -0.033 nan 8.180 nan 0.000 0.560 557 D N 4.086 124.203 120.400 -0.471 0.000 2.368 557 D HA -0.024 4.616 4.640 -0.000 0.000 0.250 557 D C 1.530 177.270 176.300 -0.933 0.000 1.142 557 D CA 0.725 54.410 54.000 -0.524 0.000 0.925 557 D CB -0.716 39.923 40.800 -0.267 0.000 0.896 557 D HN 0.809 nan 8.370 nan 0.000 0.525 558 G N -0.003 107.587 108.800 -2.017 0.000 2.258 558 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.274 558 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.274 558 G C 0.122 174.337 174.900 -1.141 0.000 1.021 558 G CA 0.342 44.164 45.100 -2.130 0.000 0.798 558 G HN 0.406 nan 8.290 nan 0.000 0.507 559 V N 2.340 121.790 119.914 -0.773 0.000 2.284 559 V HA 0.353 4.473 4.120 -0.000 0.000 0.274 559 V C 0.917 177.281 176.094 0.451 0.000 1.023 559 V CA -0.968 61.327 62.300 -0.008 0.000 0.808 559 V CB 1.010 32.814 31.823 -0.031 0.000 1.035 559 V HN 0.410 nan 8.190 nan 0.000 0.445 560 I N 5.691 126.571 120.570 0.517 0.000 2.752 560 I HA 0.177 4.347 4.170 -0.000 0.000 0.286 560 I C -1.562 174.754 176.117 0.332 0.000 1.180 560 I CA -1.060 60.485 61.300 0.409 0.000 1.404 560 I CB -0.033 38.144 38.000 0.294 0.000 1.389 560 I HN 0.373 nan 8.210 nan 0.000 0.549 561 P HA 0.113 nan 4.420 nan 0.000 0.275 561 P C -0.323 177.235 177.300 0.429 0.000 1.227 561 P CA -0.281 63.011 63.100 0.319 0.000 0.781 561 P CB 0.685 32.553 31.700 0.281 0.000 0.906 562 T N 4.081 118.787 114.554 0.253 0.000 2.831 562 T HA 0.100 4.449 4.350 -0.000 0.000 0.291 562 T C -2.050 172.662 174.700 0.021 0.000 0.981 562 T CA -0.680 61.511 62.100 0.151 0.000 1.174 562 T CB -1.073 67.837 68.868 0.069 0.000 0.929 562 T HN 0.365 nan 8.240 nan 0.000 0.532 563 P HA 0.071 nan 4.420 nan 0.000 0.266 563 P C 0.540 177.595 177.300 -0.409 0.000 1.186 563 P CA -0.060 62.495 63.100 -0.908 0.000 0.767 563 P CB 0.349 31.398 31.700 -1.086 0.000 0.820 564 A N 3.368 125.979 122.820 -0.348 0.000 1.970 564 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 564 A C 0.942 178.465 177.584 -0.101 0.000 1.170 564 A CA 1.164 53.121 52.037 -0.134 0.000 0.645 564 A CB -0.402 18.555 19.000 -0.072 0.000 0.816 564 A HN 0.508 nan 8.150 nan 0.000 0.447 565 I N -0.254 120.226 120.570 -0.150 0.000 2.465 565 I HA 0.351 4.520 4.170 -0.000 0.000 0.291 565 I C 0.026 176.037 176.117 -0.178 0.000 1.014 565 I CA -0.263 60.980 61.300 -0.095 0.000 1.093 565 I CB 2.030 40.033 38.000 0.006 0.000 1.267 565 I HN 0.179 nan 8.210 nan 0.000 0.431 566 I N 4.454 124.951 120.570 -0.121 0.000 4.624 566 I HA 0.014 4.184 4.170 -0.000 0.000 0.327 566 I C 1.696 177.770 176.117 -0.070 0.000 1.295 566 I CA -0.212 61.019 61.300 -0.115 0.000 1.267 566 I CB -0.040 37.903 38.000 -0.094 0.000 1.249 566 I HN 0.519 nan 8.210 nan 0.000 0.440 567 K N 3.341 123.707 120.400 -0.056 0.000 2.202 567 K HA -0.120 4.200 4.320 -0.000 0.000 0.227 567 K C -0.760 175.818 176.600 -0.037 0.000 0.856 567 K CA 1.295 57.558 56.287 -0.041 0.000 1.034 567 K CB -2.430 30.047 32.500 -0.038 0.000 0.610 567 K HN 0.067 nan 8.250 nan 0.000 0.718 568 P HA -0.131 nan 4.420 nan 0.000 0.212 568 P C -0.095 177.189 177.300 -0.026 0.000 1.180 568 P CA 1.349 64.432 63.100 -0.028 0.000 0.902 568 P CB 0.106 31.789 31.700 -0.029 0.000 0.778 569 K N 1.244 121.624 120.400 -0.033 0.000 2.235 569 K HA 0.325 4.645 4.320 -0.000 0.000 0.266 569 K C -2.455 174.114 176.600 -0.052 0.000 0.980 569 K CA -2.602 53.672 56.287 -0.022 0.000 0.849 569 K CB 1.625 34.120 32.500 -0.007 0.000 1.098 569 K HN -0.020 nan 8.250 nan 0.000 0.445 570 P HA 0.132 nan 4.420 nan 0.000 0.280 570 P C -1.157 175.976 177.300 -0.279 0.000 1.300 570 P CA -0.348 62.625 63.100 -0.212 0.000 0.785 570 P CB 0.746 32.329 31.700 -0.194 0.000 0.874 571 L N 3.981 125.019 121.223 -0.309 0.000 2.235 571 L HA 0.660 5.000 4.340 -0.000 0.000 0.260 571 L C 0.129 176.830 176.870 -0.283 0.000 1.025 571 L CA -0.543 54.262 54.840 -0.059 0.000 0.836 571 L CB 1.164 43.352 42.059 0.215 0.000 1.395 571 L HN 0.404 nan 8.230 nan 0.000 0.443 572 W N -0.651 120.727 121.300 0.130 0.000 3.031 572 W HA 0.595 5.255 4.660 -0.000 0.000 0.337 572 W C -0.633 175.843 176.519 -0.072 0.000 1.187 572 W CA -0.725 56.638 57.345 0.031 0.000 1.166 572 W CB 2.147 31.612 29.460 0.008 0.000 1.437 572 W HN 0.491 nan 8.180 nan 0.000 0.551 573 S N -0.435 115.267 115.700 0.003 0.000 2.593 573 S HA 0.520 4.989 4.470 -0.000 0.000 0.297 573 S C 0.848 175.347 174.600 -0.168 0.000 1.112 573 S CA -0.012 58.014 58.200 -0.291 0.000 1.043 573 S CB 1.836 64.772 63.200 -0.440 0.000 1.054 573 S HN 0.660 nan 8.310 nan 0.000 0.516 574 G N 2.007 110.655 108.800 -0.253 0.000 2.553 574 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 574 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 574 G C 1.237 176.001 174.900 -0.227 0.000 1.195 574 G CA 1.038 45.953 45.100 -0.308 0.000 0.779 574 G HN 0.800 nan 8.290 nan 0.000 0.577 575 K N -0.073 120.201 120.400 -0.210 0.000 2.097 575 K HA -0.269 4.051 4.320 -0.000 0.000 0.214 575 K C 2.608 179.149 176.600 -0.098 0.000 1.052 575 K CA 1.804 58.002 56.287 -0.149 0.000 0.932 575 K CB -0.365 32.058 32.500 -0.129 0.000 0.716 575 K HN 0.402 nan 8.250 nan 0.000 0.455 576 Q N 0.344 120.102 119.800 -0.071 0.000 2.045 576 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 576 Q C 2.321 178.330 176.000 0.015 0.000 0.991 576 Q CA 2.234 58.043 55.803 0.010 0.000 0.851 576 Q CB -0.207 28.592 28.738 0.101 0.000 0.911 576 Q HN 0.558 nan 8.270 nan 0.000 0.418 577 I N -2.384 118.171 120.570 -0.026 0.000 2.585 577 I HA -0.095 4.075 4.170 -0.000 0.000 0.254 577 I C 2.225 178.296 176.117 -0.078 0.000 1.129 577 I CA 0.343 61.606 61.300 -0.061 0.000 1.455 577 I CB -0.477 37.446 38.000 -0.128 0.000 1.111 577 I HN 0.088 nan 8.210 nan 0.000 0.433 578 L N 1.846 122.999 121.223 -0.116 0.000 2.270 578 L HA -0.204 4.136 4.340 -0.000 0.000 0.217 578 L C 2.268 179.094 176.870 -0.072 0.000 1.107 578 L CA 1.842 56.613 54.840 -0.115 0.000 0.772 578 L CB -0.802 41.162 42.059 -0.158 0.000 0.902 578 L HN 0.258 nan 8.230 nan 0.000 0.439 579 S N -1.363 114.304 115.700 -0.055 0.000 2.423 579 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 579 S C 1.912 176.512 174.600 0.000 0.000 1.014 579 S CA 1.105 59.287 58.200 -0.029 0.000 0.965 579 S CB -0.363 62.827 63.200 -0.017 0.000 0.785 579 S HN 0.418 nan 8.310 nan 0.000 0.495 580 V N 2.083 122.004 119.914 0.012 0.000 2.392 580 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 580 V C 2.613 178.740 176.094 0.055 0.000 1.059 580 V CA 1.681 64.016 62.300 0.058 0.000 1.051 580 V CB -1.254 30.602 31.823 0.056 0.000 0.658 580 V HN 0.554 nan 8.190 nan 0.000 0.455 581 A N -0.434 122.398 122.820 0.021 0.000 2.015 581 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 581 A C 1.262 178.849 177.584 0.004 0.000 1.163 581 A CA 0.684 52.732 52.037 0.018 0.000 0.646 581 A CB -0.474 18.525 19.000 -0.002 0.000 0.806 581 A HN 0.520 nan 8.150 nan 0.000 0.448 582 I N 2.635 123.201 120.570 -0.007 0.000 2.379 582 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 582 I C -2.027 174.093 176.117 0.005 0.000 1.063 582 I CA -1.908 59.383 61.300 -0.015 0.000 1.351 582 I CB 0.994 38.976 38.000 -0.029 0.000 1.410 582 I HN 0.166 nan 8.210 nan 0.000 0.505 583 P HA 0.040 nan 4.420 nan 0.000 0.271 583 P C -1.035 176.274 177.300 0.015 0.000 1.218 583 P CA -0.408 62.702 63.100 0.017 0.000 0.780 583 P CB 0.483 32.193 31.700 0.017 0.000 0.901 584 N N 1.072 119.783 118.700 0.018 0.000 2.454 584 N HA 0.190 4.930 4.740 -0.000 0.000 0.260 584 N C 1.459 176.980 175.510 0.019 0.000 1.218 584 N CA 0.939 53.999 53.050 0.016 0.000 0.904 584 N CB 0.031 38.527 38.487 0.015 0.000 1.065 584 N HN 0.831 nan 8.380 nan 0.000 0.462 585 G N 0.719 109.531 108.800 0.020 0.000 2.211 585 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.201 585 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.201 585 G C -0.063 174.872 174.900 0.058 0.000 0.997 585 G CA -0.556 44.566 45.100 0.037 0.000 0.652 585 G HN 0.492 nan 8.290 nan 0.000 0.500 586 I N 2.282 122.876 120.570 0.039 0.000 2.441 586 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 586 I C 0.405 176.561 176.117 0.066 0.000 1.049 586 I CA -0.321 61.008 61.300 0.048 0.000 1.381 586 I CB 0.835 38.844 38.000 0.015 0.000 1.409 586 I HN 0.141 nan 8.210 nan 0.000 0.523 587 H N 6.598 125.673 119.070 0.009 0.000 2.731 587 H HA 0.737 5.293 4.556 -0.000 0.000 0.368 587 H C -1.577 173.752 175.328 0.000 0.000 1.168 587 H CA -0.894 55.162 56.048 0.012 0.000 1.181 587 H CB 2.472 32.253 29.762 0.030 0.000 1.743 587 H HN 0.433 nan 8.280 nan 0.000 0.547 588 L N 2.802 124.228 121.223 0.338 0.000 2.751 588 L HA 0.228 4.568 4.340 -0.000 0.000 0.261 588 L C -1.604 175.357 176.870 0.151 0.000 0.927 588 L CA -0.101 54.844 54.840 0.175 0.000 0.968 588 L CB 1.699 43.780 42.059 0.037 0.000 1.432 588 L HN 0.640 nan 8.230 nan 0.000 0.439 589 Q N 3.982 123.875 119.800 0.155 0.000 2.353 589 Q HA 0.564 4.904 4.340 -0.000 0.000 0.268 589 Q C -0.406 175.703 176.000 0.182 0.000 1.045 589 Q CA -0.625 55.291 55.803 0.188 0.000 0.811 589 Q CB 3.320 32.193 28.738 0.225 0.000 1.305 589 Q HN 0.704 nan 8.270 nan 0.000 0.447 590 R N 1.602 122.255 120.500 0.255 0.000 1.889 590 R HA 0.340 4.680 4.340 -0.000 0.000 0.134 590 R C -0.890 175.702 176.300 0.487 0.000 2.065 590 R CA 0.089 56.331 56.100 0.236 0.000 1.705 590 R CB 0.755 31.092 30.300 0.061 0.000 1.387 590 R HN 0.569 nan 8.270 nan 0.000 0.484 591 F N 1.723 121.710 119.950 0.063 0.000 2.214 591 F HA -0.194 4.333 4.527 -0.000 0.000 0.500 591 F C 0.104 175.935 175.800 0.052 0.000 1.258 591 F CA 0.245 58.294 58.000 0.083 0.000 1.604 591 F CB -1.093 37.952 39.000 0.076 0.000 2.535 591 F HN 0.449 nan 8.300 nan 0.000 0.735 592 D N 1.688 122.170 120.400 0.137 0.000 2.125 592 D HA 0.032 4.672 4.640 -0.000 0.000 0.266 592 D C 1.539 177.895 176.300 0.093 0.000 1.124 592 D CA 0.873 54.929 54.000 0.093 0.000 0.913 592 D CB 0.192 41.022 40.800 0.049 0.000 0.964 592 D HN 0.644 nan 8.370 nan 0.000 0.370 593 E N 0.193 120.430 120.200 0.061 0.000 2.611 593 E HA 0.214 4.564 4.350 -0.000 0.000 0.284 593 E C 0.952 177.588 176.600 0.059 0.000 0.800 593 E CA -0.208 56.225 56.400 0.054 0.000 1.264 593 E CB -0.310 29.408 29.700 0.030 0.000 1.735 593 E HN 0.136 nan 8.360 nan 0.000 0.526 594 G N 1.945 110.763 108.800 0.031 0.000 2.778 594 G HA2 0.126 4.086 3.960 -0.000 0.000 0.287 594 G HA3 0.126 4.086 3.960 -0.000 0.000 0.287 594 G C -0.676 174.218 174.900 -0.011 0.000 0.747 594 G CA 0.152 45.262 45.100 0.017 0.000 1.961 594 G HN 0.005 nan 8.290 nan 0.000 0.539 595 T N 0.862 115.416 114.554 0.001 0.000 2.824 595 T HA 0.588 4.938 4.350 -0.000 0.000 0.282 595 T C 0.313 174.943 174.700 -0.118 0.000 0.993 595 T CA -0.501 61.509 62.100 -0.149 0.000 0.967 595 T CB 1.715 70.405 68.868 -0.296 0.000 0.960 595 T HN 0.472 nan 8.240 nan 0.000 0.441 596 T N 0.445 114.863 114.554 -0.226 0.000 3.905 596 T HA 0.291 4.641 4.350 -0.000 0.000 0.227 596 T C 0.411 175.005 174.700 -0.176 0.000 1.055 596 T CA -0.761 61.290 62.100 -0.081 0.000 1.607 596 T CB -0.754 68.091 68.868 -0.039 0.000 0.781 596 T HN 0.390 nan 8.240 nan 0.000 0.639 597 L N 0.016 121.093 121.223 -0.244 0.000 4.132 597 L HA -0.191 4.149 4.340 -0.000 0.000 0.451 597 L C 0.886 177.484 176.870 -0.454 0.000 1.099 597 L CA 1.373 56.053 54.840 -0.267 0.000 0.977 597 L CB -1.384 40.684 42.059 0.016 0.000 1.852 597 L HN 0.774 nan 8.230 nan 0.000 1.069 598 L N -1.163 119.727 121.223 -0.555 0.000 3.914 598 L HA 0.125 4.465 4.340 -0.000 0.000 0.382 598 L C 0.762 177.384 176.870 -0.414 0.000 1.274 598 L CA 0.413 54.992 54.840 -0.434 0.000 1.211 598 L CB 0.413 42.339 42.059 -0.221 0.000 1.447 598 L HN 0.276 nan 8.230 nan 0.000 0.610 599 S N 0.890 116.261 115.700 -0.548 0.000 4.351 599 S HA -0.103 4.367 4.470 -0.000 0.000 0.500 599 S C -1.103 173.387 174.600 -0.184 0.000 0.804 599 S CA -0.089 57.918 58.200 -0.321 0.000 1.494 599 S CB -0.602 62.453 63.200 -0.242 0.000 1.334 599 S HN 0.403 nan 8.310 nan 0.000 0.490 600 P HA -0.173 nan 4.420 nan 0.000 0.210 600 P C 0.856 178.128 177.300 -0.046 0.000 1.189 600 P CA 1.354 64.410 63.100 -0.074 0.000 0.920 600 P CB -0.021 31.647 31.700 -0.053 0.000 0.782 601 K N -0.139 120.242 120.400 -0.031 0.000 2.687 601 K HA -0.096 4.224 4.320 -0.000 0.000 0.197 601 K C 0.251 176.850 176.600 -0.002 0.000 1.018 601 K CA 0.537 56.817 56.287 -0.012 0.000 1.035 601 K CB -1.033 31.463 32.500 -0.006 0.000 0.834 601 K HN 0.102 nan 8.250 nan 0.000 0.496 602 D N 0.857 121.253 120.400 -0.007 0.000 2.737 602 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 602 D C -0.108 176.228 176.300 0.060 0.000 1.155 602 D CA 0.523 54.543 54.000 0.032 0.000 0.667 602 D CB -0.903 39.914 40.800 0.027 0.000 1.060 602 D HN 0.250 nan 8.370 nan 0.000 0.427 603 N N -0.313 118.413 118.700 0.044 0.000 2.318 603 N HA 0.481 5.221 4.740 -0.000 0.000 0.283 603 N C 1.562 177.117 175.510 0.076 0.000 1.306 603 N CA 0.596 53.669 53.050 0.039 0.000 0.941 603 N CB -0.743 37.752 38.487 0.014 0.000 1.059 603 N HN 0.446 nan 8.380 nan 0.000 0.496 604 G N 0.252 109.069 108.800 0.027 0.000 2.574 604 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.295 604 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.295 604 G C -0.273 174.557 174.900 -0.117 0.000 1.300 604 G CA 1.058 46.148 45.100 -0.017 0.000 0.944 604 G HN 0.728 nan 8.290 nan 0.000 0.551 605 M N -1.910 117.482 119.600 -0.346 0.000 2.439 605 M HA 0.606 5.086 4.480 -0.000 0.000 0.281 605 M C -2.217 173.706 176.300 -0.629 0.000 1.011 605 M CA -0.561 54.445 55.300 -0.489 0.000 0.869 605 M CB 1.472 33.946 32.600 -0.210 0.000 1.922 605 M HN 1.826 nan 8.290 nan 0.000 0.530 606 L N 6.713 127.426 121.223 -0.849 0.000 2.504 606 L HA 0.771 5.111 4.340 -0.000 0.000 0.265 606 L C -2.130 174.547 176.870 -0.321 0.000 0.975 606 L CA -0.139 54.378 54.840 -0.538 0.000 0.864 606 L CB 1.428 43.108 42.059 -0.632 0.000 1.212 606 L HN 0.766 nan 8.230 nan 0.000 0.416 607 I N 6.051 126.507 120.570 -0.191 0.000 2.362 607 I HA 0.489 4.659 4.170 -0.000 0.000 0.289 607 I C -0.441 175.551 176.117 -0.207 0.000 0.994 607 I CA -0.449 60.758 61.300 -0.154 0.000 1.158 607 I CB 1.589 39.527 38.000 -0.103 0.000 1.315 607 I HN 0.496 nan 8.210 nan 0.000 0.451 608 I N 4.677 125.121 120.570 -0.210 0.000 2.569 608 I HA 0.210 4.380 4.170 -0.000 0.000 0.296 608 I C 0.433 176.462 176.117 -0.146 0.000 1.028 608 I CA -0.399 60.717 61.300 -0.307 0.000 1.082 608 I CB 1.818 39.646 38.000 -0.287 0.000 1.264 608 I HN 0.659 nan 8.210 nan 0.000 0.429 609 D N 4.056 124.387 120.400 -0.116 0.000 2.978 609 D HA -0.234 4.406 4.640 -0.000 0.000 0.226 609 D C 0.886 177.174 176.300 -0.019 0.000 1.189 609 D CA 1.780 55.759 54.000 -0.034 0.000 0.810 609 D CB -0.560 40.234 40.800 -0.010 0.000 1.096 609 D HN 1.136 nan 8.370 nan 0.000 0.414 610 G N -1.642 107.138 108.800 -0.032 0.000 2.131 610 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.223 610 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.223 610 G C -0.246 174.641 174.900 -0.022 0.000 0.990 610 G CA 0.227 45.316 45.100 -0.019 0.000 0.671 610 G HN 0.432 nan 8.290 nan 0.000 0.521 611 Q N -0.305 119.473 119.800 -0.037 0.000 2.353 611 Q HA 0.573 4.913 4.340 -0.000 0.000 0.268 611 Q C 0.328 176.295 176.000 -0.056 0.000 1.045 611 Q CA -0.753 55.031 55.803 -0.031 0.000 0.811 611 Q CB 1.916 30.646 28.738 -0.013 0.000 1.305 611 Q HN 0.419 nan 8.270 nan 0.000 0.447 612 I N 3.387 123.923 120.570 -0.056 0.000 2.452 612 I HA 0.047 4.217 4.170 -0.000 0.000 0.287 612 I C 1.275 177.361 176.117 -0.052 0.000 1.079 612 I CA 0.201 61.453 61.300 -0.080 0.000 1.387 612 I CB 0.521 38.470 38.000 -0.086 0.000 1.404 612 I HN 0.592 nan 8.210 nan 0.000 0.522 613 I N 6.766 127.300 120.570 -0.060 0.000 2.927 613 I HA 0.085 4.255 4.170 -0.000 0.000 0.268 613 I C 0.023 176.239 176.117 0.165 0.000 1.153 613 I CA 0.560 61.885 61.300 0.042 0.000 1.459 613 I CB 0.382 38.430 38.000 0.079 0.000 1.149 613 I HN 0.556 nan 8.210 nan 0.000 0.443 614 F N -0.320 119.593 119.950 -0.060 0.000 2.769 614 F HA 0.643 5.169 4.527 -0.000 0.000 0.313 614 F C -0.683 175.071 175.800 -0.078 0.000 1.146 614 F CA -0.728 57.229 58.000 -0.072 0.000 0.934 614 F CB 0.387 39.342 39.000 -0.075 0.000 1.283 614 F HN -0.026 nan 8.300 nan 0.000 0.443 615 G N 1.332 110.238 108.800 0.177 0.000 3.067 615 G HA2 0.323 4.283 3.960 -0.000 0.000 0.686 615 G HA3 0.323 4.283 3.960 -0.000 0.000 0.686 615 G C -1.360 173.518 174.900 -0.037 0.000 1.119 615 G CA -0.671 44.453 45.100 0.040 0.000 0.790 615 G HN 1.476 nan 8.290 nan 0.000 0.605 616 V N 1.731 121.631 119.914 -0.022 0.000 2.655 616 V HA 0.345 4.465 4.120 -0.000 0.000 0.300 616 V C 1.287 177.342 176.094 -0.065 0.000 1.044 616 V CA -0.502 61.770 62.300 -0.047 0.000 1.095 616 V CB 1.424 33.228 31.823 -0.031 0.000 0.952 616 V HN 0.894 nan 8.190 nan 0.000 0.485 617 V N 5.458 125.322 119.914 -0.083 0.000 2.385 617 V HA 0.512 4.632 4.120 -0.000 0.000 0.269 617 V C 0.058 176.112 176.094 -0.068 0.000 1.043 617 V CA -0.120 62.130 62.300 -0.083 0.000 0.906 617 V CB 0.577 32.340 31.823 -0.101 0.000 0.995 617 V HN 1.194 nan 8.190 nan 0.000 0.467 618 E N 2.741 122.911 120.200 -0.050 0.000 2.454 618 E HA 0.418 4.768 4.350 -0.000 0.000 0.279 618 E C 0.617 177.205 176.600 -0.021 0.000 1.029 618 E CA -0.984 55.394 56.400 -0.035 0.000 0.831 618 E CB 0.870 30.554 29.700 -0.027 0.000 1.405 618 E HN 0.125 nan 8.360 nan 0.000 0.463 619 K N 0.433 120.827 120.400 -0.010 0.000 2.162 619 K HA -0.405 3.915 4.320 -0.000 0.000 0.219 619 K C 1.300 177.903 176.600 0.005 0.000 1.038 619 K CA 2.857 59.146 56.287 0.003 0.000 0.946 619 K CB -0.259 32.248 32.500 0.011 0.000 0.783 619 K HN 0.501 nan 8.250 nan 0.000 0.470 620 K N -1.024 119.379 120.400 0.004 0.000 2.211 620 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 620 K C 1.914 178.516 176.600 0.004 0.000 1.050 620 K CA 1.697 57.990 56.287 0.009 0.000 0.945 620 K CB 0.075 32.582 32.500 0.011 0.000 0.732 620 K HN 0.247 nan 8.250 nan 0.000 0.451 621 T N -0.402 114.145 114.554 -0.012 0.000 3.051 621 T HA 0.037 4.387 4.350 -0.000 0.000 0.255 621 T C 1.099 175.780 174.700 -0.033 0.000 1.085 621 T CA 0.462 62.547 62.100 -0.025 0.000 1.109 621 T CB 0.575 69.414 68.868 -0.047 0.000 0.921 621 T HN -0.014 nan 8.240 nan 0.000 0.488 622 V N 1.271 121.166 119.914 -0.032 0.000 3.047 622 V HA 0.579 4.699 4.120 -0.000 0.000 0.374 622 V C 0.266 176.344 176.094 -0.026 0.000 1.399 622 V CA -0.167 62.103 62.300 -0.051 0.000 1.251 622 V CB 0.166 31.945 31.823 -0.073 0.000 1.228 622 V HN 0.434 nan 8.190 nan 0.000 0.589 623 G N -0.006 108.796 108.800 0.004 0.000 3.016 623 G HA2 0.432 4.391 3.960 -0.000 0.000 0.270 623 G HA3 0.432 4.391 3.960 -0.000 0.000 0.270 623 G C 0.471 175.397 174.900 0.043 0.000 1.352 623 G CA 0.224 45.345 45.100 0.035 0.000 1.060 623 G HN 0.573 nan 8.290 nan 0.000 0.538 624 S N -0.074 115.658 115.700 0.054 0.000 3.120 624 S HA 0.233 4.703 4.470 -0.000 0.000 0.259 624 S C 0.958 175.558 174.600 -0.001 0.000 1.191 624 S CA 0.088 58.307 58.200 0.032 0.000 1.257 624 S CB -1.137 62.082 63.200 0.031 0.000 0.964 624 S HN 0.909 nan 8.310 nan 0.000 0.473 625 S N 0.783 116.488 115.700 0.009 0.000 2.645 625 S HA 0.328 4.798 4.470 -0.000 0.000 0.266 625 S C 0.999 175.598 174.600 -0.000 0.000 1.258 625 S CA -0.788 57.420 58.200 0.013 0.000 0.990 625 S CB 0.539 63.756 63.200 0.028 0.000 0.967 625 S HN 0.345 nan 8.310 nan 0.000 0.556 626 N N 1.475 120.194 118.700 0.032 0.000 2.053 626 N HA -0.038 4.702 4.740 -0.000 0.000 0.187 626 N C 1.771 177.437 175.510 0.261 0.000 1.089 626 N CA 1.622 54.719 53.050 0.078 0.000 0.888 626 N CB -1.280 37.271 38.487 0.106 0.000 1.047 626 N HN 0.888 nan 8.380 nan 0.000 0.434 627 G N 0.506 109.430 108.800 0.207 0.000 2.959 627 G HA2 0.085 4.045 3.960 -0.000 0.000 0.203 627 G HA3 0.085 4.045 3.960 -0.000 0.000 0.203 627 G C 0.720 175.698 174.900 0.129 0.000 1.176 627 G CA 0.410 45.614 45.100 0.173 0.000 0.860 627 G HN 0.495 nan 8.290 nan 0.000 0.507 628 G N -0.793 108.094 108.800 0.145 0.000 2.771 628 G HA2 0.118 4.078 3.960 -0.000 0.000 0.242 628 G HA3 0.118 4.078 3.960 -0.000 0.000 0.242 628 G C 1.103 176.044 174.900 0.068 0.000 1.233 628 G CA -0.458 44.693 45.100 0.085 0.000 0.858 628 G HN 0.240 nan 8.290 nan 0.000 0.591 629 L N 0.424 121.655 121.223 0.012 0.000 2.046 629 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 629 L C 2.769 179.629 176.870 -0.018 0.000 1.077 629 L CA 1.154 55.984 54.840 -0.018 0.000 0.747 629 L CB -0.234 41.788 42.059 -0.061 0.000 0.896 629 L HN 0.629 nan 8.230 nan 0.000 0.432 630 I N -1.195 119.358 120.570 -0.028 0.000 2.142 630 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 630 I C 2.539 178.712 176.117 0.094 0.000 1.078 630 I CA 1.208 62.495 61.300 -0.022 0.000 1.343 630 I CB -0.883 37.104 38.000 -0.022 0.000 1.046 630 I HN 0.334 nan 8.210 nan 0.000 0.405 631 H N 1.223 120.292 119.070 -0.001 0.000 2.466 631 H HA -0.144 4.412 4.556 -0.000 0.000 0.297 631 H C 1.886 177.214 175.328 -0.000 0.000 1.113 631 H CA 1.688 57.739 56.048 0.005 0.000 1.273 631 H CB -0.242 29.526 29.762 0.009 0.000 1.371 631 H HN 0.128 nan 8.280 nan 0.000 0.528 632 V N -1.007 118.933 119.914 0.044 0.000 2.278 632 V HA -0.159 3.961 4.120 -0.000 0.000 0.238 632 V C 2.722 178.813 176.094 -0.005 0.000 1.039 632 V CA 1.184 63.466 62.300 -0.030 0.000 1.017 632 V CB -0.948 30.869 31.823 -0.011 0.000 0.657 632 V HN 0.240 nan 8.190 nan 0.000 0.462 633 V N 0.788 120.705 119.914 0.006 0.000 2.311 633 V HA -0.378 3.742 4.120 -0.000 0.000 0.256 633 V C 2.586 178.694 176.094 0.024 0.000 1.077 633 V CA 2.886 65.192 62.300 0.010 0.000 1.067 633 V CB -1.540 30.279 31.823 -0.007 0.000 0.659 633 V HN 0.678 nan 8.190 nan 0.000 0.451 634 T N -0.594 113.984 114.554 0.041 0.000 2.708 634 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 634 T C 2.093 176.808 174.700 0.024 0.000 1.037 634 T CA 1.380 63.509 62.100 0.049 0.000 1.146 634 T CB -0.247 68.665 68.868 0.074 0.000 0.865 634 T HN 0.329 nan 8.240 nan 0.000 0.435 635 R N 0.618 121.121 120.500 0.005 0.000 2.057 635 R HA 0.037 4.377 4.340 -0.000 0.000 0.229 635 R C 2.524 178.824 176.300 -0.001 0.000 1.136 635 R CA 1.320 57.409 56.100 -0.018 0.000 0.952 635 R CB -0.460 29.793 30.300 -0.077 0.000 0.848 635 R HN 0.392 nan 8.270 nan 0.000 0.430 636 E N 0.574 120.774 120.200 0.000 0.000 2.033 636 E HA -0.079 4.271 4.350 -0.000 0.000 0.189 636 E C 1.629 178.246 176.600 0.028 0.000 0.979 636 E CA 1.253 57.663 56.400 0.017 0.000 0.802 636 E CB 0.220 29.934 29.700 0.024 0.000 0.763 636 E HN -0.066 nan 8.360 nan 0.000 0.449 637 K N -0.708 119.709 120.400 0.028 0.000 2.323 637 K HA 0.278 4.598 4.320 -0.000 0.000 0.197 637 K C 0.491 177.109 176.600 0.031 0.000 1.043 637 K CA 0.814 57.119 56.287 0.031 0.000 0.997 637 K CB 1.092 33.609 32.500 0.029 0.000 0.807 637 K HN 0.230 nan 8.250 nan 0.000 0.497 638 G N 0.758 109.577 108.800 0.032 0.000 2.347 638 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.477 638 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.477 638 G C -2.654 172.269 174.900 0.038 0.000 1.349 638 G CA -0.467 44.653 45.100 0.033 0.000 1.000 638 G HN -0.218 nan 8.290 nan 0.000 0.605 639 P HA -0.012 nan 4.420 nan 0.000 0.217 639 P C 1.366 178.696 177.300 0.049 0.000 1.153 639 P CA 1.074 64.197 63.100 0.038 0.000 0.843 639 P CB 0.223 31.935 31.700 0.019 0.000 0.794 640 Q N 0.165 119.988 119.800 0.039 0.000 2.030 640 Q HA -0.081 4.258 4.340 -0.000 0.000 0.204 640 Q C 2.424 178.458 176.000 0.056 0.000 0.986 640 Q CA 1.400 57.228 55.803 0.040 0.000 0.843 640 Q CB -1.324 27.431 28.738 0.027 0.000 0.904 640 Q HN 0.137 nan 8.270 nan 0.000 0.420 641 V N 0.735 120.679 119.914 0.050 0.000 2.255 641 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 641 V C 2.601 178.738 176.094 0.070 0.000 1.051 641 V CA 1.876 64.207 62.300 0.051 0.000 1.018 641 V CB -1.041 30.805 31.823 0.038 0.000 0.641 641 V HN 0.510 nan 8.190 nan 0.000 0.445 642 C N 0.635 119.984 119.300 0.083 0.000 2.413 642 C HA -0.138 4.322 4.460 -0.000 0.000 0.276 642 C C 3.109 178.249 174.990 0.249 0.000 1.236 642 C CA 0.920 60.007 59.018 0.115 0.000 1.735 642 C CB -1.347 26.472 27.740 0.132 0.000 2.031 642 C HN 0.599 nan 8.230 nan 0.000 0.474 643 A N -0.251 122.712 122.820 0.238 0.000 1.978 643 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 643 A C 2.283 180.031 177.584 0.273 0.000 1.170 643 A CA 2.107 54.308 52.037 0.273 0.000 0.636 643 A CB -0.703 18.366 19.000 0.115 0.000 0.810 643 A HN 0.785 nan 8.150 nan 0.000 0.448 644 K N -1.010 119.492 120.400 0.170 0.000 2.296 644 K HA -0.005 4.315 4.320 -0.000 0.000 0.200 644 K C 1.783 178.458 176.600 0.126 0.000 1.048 644 K CA 0.703 57.065 56.287 0.126 0.000 0.966 644 K CB -0.169 32.376 32.500 0.075 0.000 0.754 644 K HN 0.355 nan 8.250 nan 0.000 0.466 645 L N 0.789 122.074 121.223 0.104 0.000 2.017 645 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 645 L C 1.535 178.399 176.870 -0.009 0.000 1.073 645 L CA 1.735 56.572 54.840 -0.004 0.000 0.745 645 L CB -0.728 41.256 42.059 -0.125 0.000 0.894 645 L HN 0.092 nan 8.230 nan 0.000 0.432 646 F N 0.229 120.200 119.950 0.036 0.000 2.043 646 F HA -0.216 4.311 4.527 -0.000 0.000 0.297 646 F C 2.543 178.372 175.800 0.049 0.000 1.118 646 F CA 1.957 59.982 58.000 0.042 0.000 1.202 646 F CB -1.557 37.472 39.000 0.048 0.000 0.965 646 F HN 0.224 nan 8.300 nan 0.000 0.482 647 G N 0.180 109.137 108.800 0.262 0.000 2.631 647 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.219 647 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.219 647 G C 1.599 176.576 174.900 0.128 0.000 1.214 647 G CA 1.549 46.746 45.100 0.161 0.000 0.785 647 G HN 0.294 nan 8.290 nan 0.000 0.596 648 N N 0.968 119.727 118.700 0.098 0.000 2.006 648 N HA -0.115 4.625 4.740 -0.000 0.000 0.196 648 N C 2.314 177.871 175.510 0.078 0.000 1.057 648 N CA 1.395 54.495 53.050 0.082 0.000 0.853 648 N CB -0.787 37.734 38.487 0.057 0.000 1.051 648 N HN 0.397 nan 8.380 nan 0.000 0.423 649 I N 1.803 122.395 120.570 0.036 0.000 2.121 649 I HA -0.410 3.760 4.170 -0.000 0.000 0.243 649 I C 2.467 178.615 176.117 0.052 0.000 1.047 649 I CA 1.629 62.936 61.300 0.012 0.000 1.308 649 I CB -0.510 37.465 38.000 -0.042 0.000 1.015 649 I HN 0.294 nan 8.210 nan 0.000 0.410 650 Q N 0.747 120.603 119.800 0.093 0.000 2.002 650 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 650 Q C 2.246 178.333 176.000 0.145 0.000 0.988 650 Q CA 1.748 57.624 55.803 0.122 0.000 0.843 650 Q CB -0.326 28.506 28.738 0.155 0.000 0.908 650 Q HN 0.519 nan 8.270 nan 0.000 0.420 651 K N 0.246 120.764 120.400 0.196 0.000 2.059 651 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 651 K C 2.172 178.909 176.600 0.229 0.000 1.050 651 K CA 1.815 58.297 56.287 0.325 0.000 0.927 651 K CB -0.362 32.377 32.500 0.398 0.000 0.714 651 K HN 0.028 nan 8.250 nan 0.000 0.447 652 V N 0.879 120.887 119.914 0.157 0.000 2.221 652 V HA -0.234 3.886 4.120 -0.000 0.000 0.242 652 V C 2.326 178.468 176.094 0.080 0.000 1.041 652 V CA 1.619 63.977 62.300 0.096 0.000 0.995 652 V CB -0.474 31.373 31.823 0.041 0.000 0.635 652 V HN 0.086 nan 8.190 nan 0.000 0.448 653 V N 1.095 121.038 119.914 0.048 0.000 2.231 653 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 653 V C 2.378 178.541 176.094 0.116 0.000 1.058 653 V CA 2.549 64.883 62.300 0.056 0.000 1.022 653 V CB -1.081 30.753 31.823 0.019 0.000 0.640 653 V HN 0.598 nan 8.190 nan 0.000 0.445 654 N N -0.314 118.438 118.700 0.086 0.000 2.061 654 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 654 N C 1.748 177.250 175.510 -0.014 0.000 1.030 654 N CA 2.049 55.137 53.050 0.063 0.000 0.856 654 N CB -0.628 37.913 38.487 0.089 0.000 1.023 654 N HN 0.548 nan 8.380 nan 0.000 0.424 655 F N 0.474 120.269 119.950 -0.259 0.000 2.126 655 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 655 F C 2.342 177.901 175.800 -0.402 0.000 1.096 655 F CA 1.216 58.897 58.000 -0.532 0.000 1.255 655 F CB -0.691 37.713 39.000 -0.994 0.000 0.997 655 F HN 0.147 nan 8.300 nan 0.000 0.479 656 W N 0.760 121.704 121.300 -0.593 0.000 2.378 656 W HA -0.181 4.479 4.660 -0.000 0.000 0.313 656 W C 2.211 178.506 176.519 -0.373 0.000 1.197 656 W CA 1.975 58.982 57.345 -0.563 0.000 1.304 656 W CB -0.735 28.550 29.460 -0.292 0.000 1.148 656 W HN 0.128 nan 8.180 nan 0.000 0.494 657 L N 1.048 122.257 121.223 -0.024 0.000 2.191 657 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 657 L C 2.212 178.936 176.870 -0.243 0.000 1.103 657 L CA 1.975 56.711 54.840 -0.173 0.000 0.769 657 L CB -1.318 40.791 42.059 0.084 0.000 0.908 657 L HN 0.226 nan 8.230 nan 0.000 0.438 658 L N -0.836 120.254 121.223 -0.222 0.000 2.079 658 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 658 L C 2.147 178.995 176.870 -0.037 0.000 1.081 658 L CA 1.989 56.766 54.840 -0.104 0.000 0.752 658 L CB -0.758 41.257 42.059 -0.074 0.000 0.896 658 L HN 0.424 nan 8.230 nan 0.000 0.433 659 H N -2.116 116.649 119.070 -0.508 0.000 2.476 659 H HA 0.155 4.711 4.556 -0.000 0.000 0.292 659 H C 1.844 176.876 175.328 -0.493 0.000 1.019 659 H CA 0.968 56.731 56.048 -0.475 0.000 1.330 659 H CB -0.335 29.092 29.762 -0.559 0.000 1.451 659 H HN 0.353 nan 8.280 nan 0.000 0.535 660 N N 0.795 119.121 118.700 -0.623 0.000 2.571 660 N HA 0.016 4.756 4.740 -0.000 0.000 0.189 660 N C 0.507 175.813 175.510 -0.340 0.000 1.154 660 N CA 0.686 53.334 53.050 -0.669 0.000 0.907 660 N CB 0.189 37.801 38.487 -1.458 0.000 0.977 660 N HN 0.459 nan 8.380 nan 0.000 0.449 661 G N -0.299 108.364 108.800 -0.228 0.000 2.977 661 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.308 661 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.308 661 G C -0.553 174.403 174.900 0.094 0.000 1.491 661 G CA 0.227 45.285 45.100 -0.069 0.000 0.971 661 G HN 0.414 nan 8.290 nan 0.000 0.557 662 F N -0.489 119.420 119.950 -0.069 0.000 2.843 662 F HA 0.575 5.102 4.527 -0.000 0.000 0.323 662 F C -0.179 175.612 175.800 -0.016 0.000 1.142 662 F CA 0.739 58.721 58.000 -0.030 0.000 0.925 662 F CB 1.001 39.998 39.000 -0.006 0.000 1.277 662 F HN 1.785 nan 8.300 nan 0.000 0.446 663 S N 1.642 116.627 115.700 -1.191 0.000 2.654 663 S HA 0.799 5.269 4.470 -0.000 0.000 0.267 663 S C -1.866 172.299 174.600 -0.726 0.000 1.151 663 S CA 0.069 57.849 58.200 -0.700 0.000 0.873 663 S CB 1.373 64.390 63.200 -0.305 0.000 1.181 663 S HN 1.035 nan 8.310 nan 0.000 0.489 664 T N 0.220 114.573 114.554 -0.336 0.000 2.885 664 T HA 0.769 5.118 4.350 -0.000 0.000 0.322 664 T C -0.484 174.146 174.700 -0.116 0.000 1.387 664 T CA -0.032 61.941 62.100 -0.211 0.000 1.041 664 T CB 1.451 70.242 68.868 -0.129 0.000 1.287 664 T HN 1.432 nan 8.240 nan 0.000 0.491 665 G N 0.497 109.249 108.800 -0.080 0.000 2.601 665 G HA2 0.491 4.450 3.960 -0.000 0.000 0.291 665 G HA3 0.491 4.450 3.960 -0.000 0.000 0.291 665 G C 0.643 175.525 174.900 -0.030 0.000 1.456 665 G CA -0.558 44.511 45.100 -0.051 0.000 0.804 665 G HN 0.731 nan 8.290 nan 0.000 0.499 666 I N -0.082 120.478 120.570 -0.018 0.000 2.244 666 I HA -0.229 3.941 4.170 -0.000 0.000 0.252 666 I C 2.542 178.658 176.117 -0.002 0.000 1.062 666 I CA 2.292 63.589 61.300 -0.004 0.000 1.342 666 I CB -1.368 36.631 38.000 -0.002 0.000 1.031 666 I HN 0.659 nan 8.210 nan 0.000 0.433 667 G N 0.444 109.238 108.800 -0.010 0.000 2.475 667 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 667 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 667 G C 1.315 176.215 174.900 0.001 0.000 1.125 667 G CA 1.212 46.308 45.100 -0.007 0.000 0.755 667 G HN 0.552 nan 8.290 nan 0.000 0.565 668 D N 0.017 120.416 120.400 -0.002 0.000 2.347 668 D HA -0.055 4.585 4.640 -0.000 0.000 0.215 668 D C 2.492 178.807 176.300 0.026 0.000 0.976 668 D CA 1.425 55.431 54.000 0.011 0.000 0.884 668 D CB 0.008 40.810 40.800 0.004 0.000 0.915 668 D HN 0.524 nan 8.370 nan 0.000 0.526 669 T N -1.478 113.091 114.554 0.024 0.000 3.086 669 T HA 0.177 4.526 4.350 -0.000 0.000 0.250 669 T C 1.078 175.800 174.700 0.035 0.000 1.074 669 T CA -0.211 61.910 62.100 0.036 0.000 0.988 669 T CB 0.030 68.921 68.868 0.038 0.000 0.988 669 T HN 0.019 nan 8.240 nan 0.000 0.530 670 I N 1.308 121.895 120.570 0.028 0.000 2.412 670 I HA 0.770 4.940 4.170 -0.000 0.000 0.296 670 I C 0.036 176.170 176.117 0.029 0.000 0.987 670 I CA -1.555 59.761 61.300 0.027 0.000 1.180 670 I CB 1.570 39.583 38.000 0.020 0.000 1.340 670 I HN 0.039 nan 8.210 nan 0.000 0.455 671 A N 3.428 126.266 122.820 0.031 0.000 2.337 671 A HA 0.437 4.757 4.320 -0.000 0.000 0.331 671 A C -0.582 177.018 177.584 0.028 0.000 1.137 671 A CA -0.601 51.456 52.037 0.033 0.000 0.807 671 A CB 0.964 19.988 19.000 0.040 0.000 1.250 671 A HN 0.784 nan 8.150 nan 0.000 0.468 672 D N 1.044 121.461 120.400 0.027 0.000 3.046 672 D HA 0.078 4.717 4.640 -0.000 0.000 0.213 672 D C 1.682 177.995 176.300 0.022 0.000 1.074 672 D CA 1.797 55.811 54.000 0.023 0.000 0.785 672 D CB 0.545 41.359 40.800 0.024 0.000 1.160 672 D HN 0.656 nan 8.370 nan 0.000 0.524 673 G N 5.063 113.875 108.800 0.019 0.000 2.649 673 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 673 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 673 G C -0.615 174.296 174.900 0.019 0.000 1.189 673 G CA 1.011 46.121 45.100 0.018 0.000 0.777 673 G HN 0.593 nan 8.290 nan 0.000 0.602 674 P HA -0.101 nan 4.420 nan 0.000 0.215 674 P C 1.801 179.114 177.300 0.022 0.000 1.153 674 P CA 2.055 65.166 63.100 0.019 0.000 0.853 674 P CB -0.508 31.203 31.700 0.017 0.000 0.788 675 T N 0.001 114.570 114.554 0.025 0.000 2.737 675 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 675 T C 1.984 176.702 174.700 0.031 0.000 1.040 675 T CA 1.374 63.492 62.100 0.030 0.000 1.142 675 T CB -0.516 68.372 68.868 0.033 0.000 0.861 675 T HN 0.004 nan 8.240 nan 0.000 0.456 676 M N 0.676 120.293 119.600 0.028 0.000 2.091 676 M HA -0.045 4.435 4.480 -0.000 0.000 0.259 676 M C 2.503 178.819 176.300 0.026 0.000 1.076 676 M CA 1.579 56.895 55.300 0.027 0.000 1.111 676 M CB -0.968 31.647 32.600 0.024 0.000 1.291 676 M HN 0.147 nan 8.290 nan 0.000 0.417 677 R N 0.347 120.860 120.500 0.023 0.000 2.103 677 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 677 R C 2.025 178.339 176.300 0.022 0.000 1.142 677 R CA 2.168 58.280 56.100 0.021 0.000 0.960 677 R CB -0.349 29.962 30.300 0.018 0.000 0.858 677 R HN 0.480 nan 8.270 nan 0.000 0.439 678 E N 0.126 120.340 120.200 0.023 0.000 2.160 678 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 678 E C 1.843 178.460 176.600 0.028 0.000 0.991 678 E CA 1.337 57.751 56.400 0.024 0.000 0.810 678 E CB -0.020 29.695 29.700 0.025 0.000 0.742 678 E HN 0.468 nan 8.360 nan 0.000 0.466 679 I N 0.102 120.692 120.570 0.033 0.000 2.339 679 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 679 I C 2.283 178.423 176.117 0.039 0.000 1.096 679 I CA 1.033 62.357 61.300 0.040 0.000 1.408 679 I CB -0.420 37.607 38.000 0.044 0.000 1.092 679 I HN 0.089 nan 8.210 nan 0.000 0.423 680 T N 1.289 115.864 114.554 0.035 0.000 2.778 680 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 680 T C 1.580 176.297 174.700 0.029 0.000 1.050 680 T CA 1.872 63.993 62.100 0.036 0.000 1.137 680 T CB -0.391 68.496 68.868 0.031 0.000 0.860 680 T HN 0.610 nan 8.240 nan 0.000 0.468 681 E N 0.401 120.614 120.200 0.022 0.000 2.250 681 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 681 E C 1.783 178.388 176.600 0.007 0.000 0.986 681 E CA 0.787 57.194 56.400 0.012 0.000 0.849 681 E CB -0.495 29.210 29.700 0.010 0.000 0.797 681 E HN 0.265 nan 8.360 nan 0.000 0.482 682 T N 1.333 115.897 114.554 0.016 0.000 3.035 682 T HA 0.042 4.392 4.350 -0.000 0.000 0.268 682 T C 1.740 176.446 174.700 0.011 0.000 1.109 682 T CA 0.661 62.770 62.100 0.015 0.000 1.119 682 T CB -0.088 68.799 68.868 0.032 0.000 0.900 682 T HN 0.179 nan 8.240 nan 0.000 0.503 683 I N 1.083 121.665 120.570 0.020 0.000 2.315 683 I HA 0.024 4.194 4.170 -0.000 0.000 0.233 683 I C 2.959 179.060 176.117 -0.027 0.000 1.067 683 I CA 0.728 62.038 61.300 0.017 0.000 1.376 683 I CB -0.767 37.270 38.000 0.063 0.000 1.143 683 I HN 0.103 nan 8.210 nan 0.000 0.421 684 A N 1.661 124.474 122.820 -0.010 0.000 1.940 684 A HA -0.337 3.983 4.320 -0.000 0.000 0.221 684 A C 2.193 179.749 177.584 -0.046 0.000 1.190 684 A CA 2.727 54.751 52.037 -0.022 0.000 0.647 684 A CB -1.173 17.824 19.000 -0.005 0.000 0.821 684 A HN 0.717 nan 8.150 nan 0.000 0.457 685 E N -0.189 119.984 120.200 -0.045 0.000 2.110 685 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 685 E C 1.920 178.455 176.600 -0.109 0.000 0.988 685 E CA 1.342 57.703 56.400 -0.064 0.000 0.804 685 E CB -0.489 29.181 29.700 -0.050 0.000 0.745 685 E HN 0.510 nan 8.360 nan 0.000 0.458 686 A N 1.241 123.994 122.820 -0.112 0.000 2.015 686 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 686 A C 2.059 179.534 177.584 -0.181 0.000 1.163 686 A CA 1.364 53.302 52.037 -0.165 0.000 0.646 686 A CB -0.306 18.620 19.000 -0.123 0.000 0.806 686 A HN 0.170 nan 8.150 nan 0.000 0.448 687 K N -0.161 120.154 120.400 -0.141 0.000 2.025 687 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 687 K C 2.094 178.639 176.600 -0.091 0.000 1.049 687 K CA 1.554 57.770 56.287 -0.120 0.000 0.933 687 K CB -0.153 32.297 32.500 -0.082 0.000 0.714 687 K HN 0.374 nan 8.250 nan 0.000 0.438 688 K N 1.121 121.468 120.400 -0.089 0.000 2.026 688 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 688 K C 2.015 178.546 176.600 -0.115 0.000 1.048 688 K CA 1.262 57.504 56.287 -0.075 0.000 0.929 688 K CB -0.033 32.427 32.500 -0.066 0.000 0.713 688 K HN -0.012 nan 8.250 nan 0.000 0.439 689 K N 0.553 120.826 120.400 -0.211 0.000 2.362 689 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 689 K C 1.544 177.937 176.600 -0.345 0.000 1.045 689 K CA 0.802 56.855 56.287 -0.390 0.000 0.936 689 K CB 0.221 32.323 32.500 -0.665 0.000 0.747 689 K HN -0.021 nan 8.250 nan 0.000 0.467 690 V N 0.047 119.881 119.914 -0.134 0.000 2.490 690 V HA -0.136 3.984 4.120 -0.000 0.000 0.238 690 V C 1.824 177.987 176.094 0.115 0.000 1.056 690 V CA 0.782 63.128 62.300 0.076 0.000 1.075 690 V CB -0.257 31.607 31.823 0.068 0.000 0.746 690 V HN 0.287 nan 8.190 nan 0.000 0.479 691 L N 1.060 122.315 121.223 0.053 0.000 2.034 691 L HA -0.286 4.054 4.340 -0.000 0.000 0.217 691 L C 1.856 178.760 176.870 0.055 0.000 1.077 691 L CA 2.555 57.429 54.840 0.057 0.000 0.769 691 L CB -1.009 41.062 42.059 0.019 0.000 0.890 691 L HN 0.373 nan 8.230 nan 0.000 0.435 692 D N -0.665 119.754 120.400 0.031 0.000 2.108 692 D HA -0.207 4.433 4.640 -0.000 0.000 0.190 692 D C 2.158 178.497 176.300 0.065 0.000 0.995 692 D CA 2.189 56.206 54.000 0.028 0.000 0.834 692 D CB -0.364 40.437 40.800 0.002 0.000 0.967 692 D HN 0.283 nan 8.370 nan 0.000 0.446 693 V N 0.353 120.349 119.914 0.136 0.000 2.913 693 V HA -0.184 3.936 4.120 -0.000 0.000 0.260 693 V C 2.219 178.406 176.094 0.155 0.000 1.098 693 V CA 1.698 64.118 62.300 0.200 0.000 1.121 693 V CB -0.746 31.303 31.823 0.376 0.000 0.714 693 V HN 0.248 nan 8.190 nan 0.000 0.487 694 T N -0.248 114.403 114.554 0.163 0.000 2.701 694 T HA -0.156 4.194 4.350 -0.000 0.000 0.263 694 T C 1.958 176.584 174.700 -0.123 0.000 1.040 694 T CA 1.324 63.444 62.100 0.032 0.000 1.147 694 T CB -0.151 68.806 68.868 0.150 0.000 0.865 694 T HN 0.445 nan 8.240 nan 0.000 0.426 695 K N 0.813 121.186 120.400 -0.045 0.000 2.155 695 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 695 K C 2.339 178.896 176.600 -0.072 0.000 1.052 695 K CA 0.805 57.056 56.287 -0.061 0.000 0.948 695 K CB -0.071 32.413 32.500 -0.026 0.000 0.728 695 K HN 0.420 nan 8.250 nan 0.000 0.448 696 E N 0.388 120.560 120.200 -0.046 0.000 2.401 696 E HA -0.140 4.210 4.350 -0.000 0.000 0.199 696 E C 1.256 177.808 176.600 -0.080 0.000 1.023 696 E CA 0.706 57.084 56.400 -0.036 0.000 0.859 696 E CB 0.156 29.862 29.700 0.010 0.000 0.780 696 E HN 0.302 nan 8.360 nan 0.000 0.523 697 A N -0.026 122.693 122.820 -0.169 0.000 2.167 697 A HA 0.092 4.412 4.320 -0.000 0.000 0.208 697 A C 1.620 179.050 177.584 -0.257 0.000 1.198 697 A CA -0.164 51.721 52.037 -0.253 0.000 0.863 697 A CB 0.228 18.928 19.000 -0.500 0.000 0.904 697 A HN 0.174 nan 8.150 nan 0.000 0.484 698 Q N -0.466 119.195 119.800 -0.231 0.000 2.415 698 Q HA 0.241 4.581 4.340 -0.000 0.000 0.206 698 Q C 1.362 177.292 176.000 -0.116 0.000 0.946 698 Q CA 0.536 56.228 55.803 -0.185 0.000 0.951 698 Q CB 0.074 28.718 28.738 -0.158 0.000 1.026 698 Q HN 0.637 nan 8.270 nan 0.000 0.510 699 A N 0.382 123.141 122.820 -0.101 0.000 2.287 699 A HA 0.118 4.438 4.320 -0.000 0.000 0.214 699 A C 0.718 178.268 177.584 -0.058 0.000 1.228 699 A CA 0.298 52.296 52.037 -0.065 0.000 0.939 699 A CB 0.347 19.318 19.000 -0.049 0.000 0.992 699 A HN 0.398 nan 8.150 nan 0.000 0.502 700 N N -1.573 117.084 118.700 -0.072 0.000 2.937 700 N HA -0.122 4.618 4.740 -0.000 0.000 0.248 700 N C -0.134 175.354 175.510 -0.037 0.000 1.069 700 N CA 0.901 53.917 53.050 -0.055 0.000 0.822 700 N CB -2.050 36.412 38.487 -0.042 0.000 1.122 700 N HN 0.370 nan 8.380 nan 0.000 0.554 701 L N -0.054 121.147 121.223 -0.037 0.000 2.851 701 L HA 0.364 4.704 4.340 -0.000 0.000 0.237 701 L C 0.080 176.944 176.870 -0.009 0.000 1.257 701 L CA 0.093 54.921 54.840 -0.019 0.000 1.061 701 L CB -0.061 41.988 42.059 -0.016 0.000 1.372 701 L HN 0.146 nan 8.230 nan 0.000 0.493 702 L N -0.022 121.194 121.223 -0.011 0.000 2.409 702 L HA 0.385 4.725 4.340 -0.000 0.000 0.272 702 L C 0.041 176.918 176.870 0.012 0.000 0.980 702 L CA -0.347 54.497 54.840 0.007 0.000 0.826 702 L CB 2.561 44.627 42.059 0.010 0.000 1.268 702 L HN 0.005 nan 8.230 nan 0.000 0.407 703 T N 2.736 117.302 114.554 0.020 0.000 2.817 703 T HA 0.188 4.538 4.350 -0.000 0.000 0.295 703 T C 0.497 175.215 174.700 0.030 0.000 0.958 703 T CA -0.322 61.791 62.100 0.022 0.000 1.157 703 T CB 0.820 69.701 68.868 0.022 0.000 0.898 703 T HN 0.616 nan 8.240 nan 0.000 0.536 704 A N 5.046 127.883 122.820 0.030 0.000 2.473 704 A HA 0.184 4.504 4.320 -0.000 0.000 0.282 704 A C 0.619 178.234 177.584 0.052 0.000 1.163 704 A CA -0.350 51.709 52.037 0.037 0.000 0.827 704 A CB -0.179 18.840 19.000 0.032 0.000 1.098 704 A HN 0.784 nan 8.150 nan 0.000 0.515 705 K N 2.972 123.404 120.400 0.053 0.000 2.419 705 K HA 0.008 4.328 4.320 -0.000 0.000 0.282 705 K C 0.019 176.673 176.600 0.089 0.000 1.056 705 K CA -0.130 56.197 56.287 0.068 0.000 1.035 705 K CB 0.159 32.691 32.500 0.053 0.000 0.921 705 K HN 0.828 nan 8.250 nan 0.000 0.472 706 H N 1.554 120.627 119.070 0.004 0.000 3.212 706 H HA -0.124 4.432 4.556 -0.000 0.000 0.292 706 H C 1.284 176.615 175.328 0.005 0.000 0.922 706 H CA 2.021 58.069 56.048 -0.000 0.000 1.389 706 H CB 0.054 29.811 29.762 -0.008 0.000 1.321 706 H HN 0.890 nan 8.280 nan 0.000 0.563 707 G N 3.914 112.471 108.800 -0.405 0.000 2.160 707 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.251 707 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.251 707 G C -0.114 174.717 174.900 -0.115 0.000 1.008 707 G CA 0.387 45.310 45.100 -0.295 0.000 0.724 707 G HN 0.684 nan 8.290 nan 0.000 0.514 708 M N 0.344 119.905 119.600 -0.066 0.000 2.284 708 M HA 0.278 4.758 4.480 -0.000 0.000 0.281 708 M C 0.194 176.492 176.300 -0.003 0.000 1.083 708 M CA -0.665 54.622 55.300 -0.023 0.000 0.965 708 M CB 2.048 34.646 32.600 -0.003 0.000 1.717 708 M HN 0.032 nan 8.290 nan 0.000 0.479 709 T N 2.365 116.921 114.554 0.004 0.000 2.934 709 T HA 0.022 4.371 4.350 -0.000 0.000 0.321 709 T C 1.388 176.108 174.700 0.034 0.000 1.080 709 T CA -0.053 62.058 62.100 0.018 0.000 1.132 709 T CB 0.414 69.298 68.868 0.027 0.000 1.039 709 T HN 0.442 nan 8.240 nan 0.000 0.543 710 L N 1.953 123.195 121.223 0.032 0.000 2.127 710 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 710 L C 2.584 179.498 176.870 0.072 0.000 1.089 710 L CA 1.689 56.551 54.840 0.037 0.000 0.757 710 L CB -0.778 41.288 42.059 0.011 0.000 0.899 710 L HN 0.511 nan 8.230 nan 0.000 0.434 711 R N -0.080 120.466 120.500 0.078 0.000 2.070 711 R HA -0.120 4.220 4.340 -0.000 0.000 0.227 711 R C 2.272 178.670 176.300 0.164 0.000 1.147 711 R CA 1.449 57.632 56.100 0.140 0.000 0.924 711 R CB -0.303 30.066 30.300 0.114 0.000 0.827 711 R HN 0.366 nan 8.270 nan 0.000 0.431 712 E N -0.343 119.910 120.200 0.089 0.000 2.136 712 E HA -0.244 4.106 4.350 -0.000 0.000 0.202 712 E C 1.987 178.614 176.600 0.044 0.000 1.019 712 E CA 1.772 58.201 56.400 0.049 0.000 0.819 712 E CB -0.159 29.554 29.700 0.021 0.000 0.739 712 E HN 0.243 nan 8.360 nan 0.000 0.458 713 S N 0.222 115.960 115.700 0.064 0.000 2.423 713 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 713 S C 1.426 176.089 174.600 0.104 0.000 1.014 713 S CA 0.569 58.803 58.200 0.057 0.000 0.965 713 S CB -0.219 63.016 63.200 0.058 0.000 0.785 713 S HN 0.286 nan 8.310 nan 0.000 0.495 714 F N 3.010 122.955 119.950 -0.009 0.000 2.084 714 F HA -0.053 4.474 4.527 -0.000 0.000 0.296 714 F C 2.166 177.965 175.800 -0.002 0.000 1.111 714 F CA 1.352 59.352 58.000 -0.001 0.000 1.224 714 F CB -0.744 38.262 39.000 0.010 0.000 0.991 714 F HN 0.051 nan 8.300 nan 0.000 0.471 715 E N 0.451 120.496 120.200 -0.258 0.000 2.021 715 E HA -0.309 4.041 4.350 -0.000 0.000 0.200 715 E C 2.094 178.530 176.600 -0.274 0.000 1.015 715 E CA 1.620 57.797 56.400 -0.372 0.000 0.824 715 E CB -1.148 28.449 29.700 -0.171 0.000 0.762 715 E HN 0.479 nan 8.360 nan 0.000 0.454 716 D N 0.524 120.831 120.400 -0.156 0.000 2.360 716 D HA -0.219 4.420 4.640 -0.000 0.000 0.192 716 D C 1.376 177.549 176.300 -0.212 0.000 1.025 716 D CA 1.185 55.103 54.000 -0.137 0.000 0.903 716 D CB -0.017 40.735 40.800 -0.079 0.000 0.900 716 D HN 0.186 nan 8.370 nan 0.000 0.452 717 N N -0.565 117.970 118.700 -0.275 0.000 2.368 717 N HA -0.061 4.679 4.740 -0.000 0.000 0.178 717 N C 2.178 177.345 175.510 -0.573 0.000 1.021 717 N CA 0.412 53.164 53.050 -0.497 0.000 0.875 717 N CB -0.199 38.033 38.487 -0.424 0.000 1.020 717 N HN 0.114 nan 8.380 nan 0.000 0.433 718 V N 2.035 121.743 119.914 -0.344 0.000 2.220 718 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 718 V C 2.613 178.645 176.094 -0.104 0.000 1.056 718 V CA 1.604 63.800 62.300 -0.174 0.000 1.016 718 V CB -0.898 30.700 31.823 -0.376 0.000 0.639 718 V HN 0.001 nan 8.190 nan 0.000 0.446 719 V N -0.208 119.613 119.914 -0.155 0.000 2.215 719 V HA -0.368 3.751 4.120 -0.000 0.000 0.249 719 V C 2.565 178.630 176.094 -0.048 0.000 1.054 719 V CA 2.668 64.921 62.300 -0.079 0.000 1.012 719 V CB -0.835 30.935 31.823 -0.089 0.000 0.639 719 V HN 0.452 nan 8.190 nan 0.000 0.448 720 R N -1.283 119.144 120.500 -0.122 0.000 2.226 720 R HA -0.203 4.137 4.340 -0.000 0.000 0.246 720 R C 2.208 178.510 176.300 0.003 0.000 1.161 720 R CA 1.863 57.902 56.100 -0.102 0.000 0.997 720 R CB -0.317 29.860 30.300 -0.205 0.000 0.870 720 R HN 0.595 nan 8.270 nan 0.000 0.465 721 F N -0.318 119.612 119.950 -0.033 0.000 2.118 721 F HA -0.163 4.364 4.527 -0.000 0.000 0.293 721 F C 2.107 177.876 175.800 -0.051 0.000 1.102 721 F CA 0.276 58.253 58.000 -0.038 0.000 1.247 721 F CB -0.124 38.843 39.000 -0.055 0.000 1.017 721 F HN -0.046 nan 8.300 nan 0.000 0.475 722 L N 0.282 121.580 121.223 0.125 0.000 1.970 722 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 722 L C 2.099 179.044 176.870 0.124 0.000 1.071 722 L CA 1.449 56.282 54.840 -0.011 0.000 0.751 722 L CB -1.142 40.849 42.059 -0.114 0.000 0.889 722 L HN 0.089 nan 8.230 nan 0.000 0.432 723 N N -0.070 118.714 118.700 0.140 0.000 2.037 723 N HA -0.275 4.465 4.740 -0.000 0.000 0.196 723 N C 1.877 177.460 175.510 0.121 0.000 1.034 723 N CA 1.682 54.810 53.050 0.131 0.000 0.861 723 N CB -0.406 38.133 38.487 0.086 0.000 1.039 723 N HN 0.421 nan 8.380 nan 0.000 0.427 724 E N 0.290 120.562 120.200 0.120 0.000 2.169 724 E HA -0.216 4.134 4.350 -0.000 0.000 0.202 724 E C 1.743 178.412 176.600 0.115 0.000 1.016 724 E CA 1.446 57.920 56.400 0.124 0.000 0.817 724 E CB -0.016 29.780 29.700 0.160 0.000 0.736 724 E HN 0.426 nan 8.360 nan 0.000 0.462 725 A N 0.826 123.711 122.820 0.108 0.000 1.843 725 A HA -0.121 4.199 4.320 -0.000 0.000 0.213 725 A C 2.094 179.748 177.584 0.116 0.000 1.202 725 A CA 1.208 53.299 52.037 0.090 0.000 0.607 725 A CB -0.508 18.522 19.000 0.049 0.000 0.847 725 A HN 0.155 nan 8.150 nan 0.000 0.445 726 R N 0.057 120.650 120.500 0.155 0.000 2.113 726 R HA -0.264 4.076 4.340 -0.000 0.000 0.244 726 R C 1.584 177.927 176.300 0.073 0.000 1.142 726 R CA 2.485 58.667 56.100 0.138 0.000 0.953 726 R CB -0.636 29.753 30.300 0.148 0.000 0.860 726 R HN 0.547 nan 8.270 nan 0.000 0.438 727 D N -0.005 120.447 120.400 0.087 0.000 2.088 727 D HA -0.220 4.420 4.640 -0.000 0.000 0.191 727 D C 1.844 178.272 176.300 0.213 0.000 0.992 727 D CA 2.213 56.286 54.000 0.123 0.000 0.831 727 D CB -0.189 40.713 40.800 0.170 0.000 0.973 727 D HN 0.431 nan 8.370 nan 0.000 0.447 728 K N 0.808 121.312 120.400 0.172 0.000 2.281 728 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 728 K C 1.968 178.652 176.600 0.139 0.000 1.046 728 K CA 1.361 57.742 56.287 0.156 0.000 0.938 728 K CB -0.129 32.434 32.500 0.106 0.000 0.737 728 K HN 0.102 nan 8.250 nan 0.000 0.458 729 A N 1.732 124.623 122.820 0.117 0.000 1.883 729 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 729 A C 2.540 180.188 177.584 0.107 0.000 1.186 729 A CA 1.837 53.930 52.037 0.093 0.000 0.624 729 A CB -1.454 17.594 19.000 0.080 0.000 0.822 729 A HN 0.551 nan 8.150 nan 0.000 0.444 730 G N -1.075 107.797 108.800 0.120 0.000 2.414 730 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 730 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 730 G C 1.649 176.740 174.900 0.319 0.000 1.188 730 G CA 0.837 46.035 45.100 0.163 0.000 0.783 730 G HN 0.509 nan 8.290 nan 0.000 0.537 731 R N -0.286 120.463 120.500 0.416 0.000 2.244 731 R HA -0.090 4.250 4.340 -0.000 0.000 0.252 731 R C 2.401 178.779 176.300 0.130 0.000 1.177 731 R CA 0.944 57.191 56.100 0.244 0.000 1.004 731 R CB -0.264 30.132 30.300 0.160 0.000 0.873 731 R HN 0.405 nan 8.270 nan 0.000 0.469 732 L N -1.556 119.744 121.223 0.128 0.000 2.102 732 L HA -0.003 4.337 4.340 -0.000 0.000 0.202 732 L C 2.552 179.470 176.870 0.081 0.000 1.076 732 L CA 0.967 55.857 54.840 0.084 0.000 0.761 732 L CB -0.523 41.579 42.059 0.072 0.000 0.921 732 L HN 0.189 nan 8.230 nan 0.000 0.444 733 A N 0.213 123.092 122.820 0.098 0.000 1.930 733 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 733 A C 2.204 179.847 177.584 0.098 0.000 1.175 733 A CA 1.581 53.670 52.037 0.088 0.000 0.627 733 A CB -0.512 18.540 19.000 0.087 0.000 0.815 733 A HN 0.478 nan 8.150 nan 0.000 0.443 734 E N -0.051 120.232 120.200 0.139 0.000 2.147 734 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 734 E C 1.421 178.060 176.600 0.064 0.000 1.005 734 E CA 1.915 58.391 56.400 0.127 0.000 0.810 734 E CB -0.119 29.660 29.700 0.131 0.000 0.736 734 E HN 0.346 nan 8.360 nan 0.000 0.460 735 V N 1.303 121.247 119.914 0.050 0.000 3.354 735 V HA -0.047 4.073 4.120 -0.000 0.000 0.258 735 V C 2.031 178.147 176.094 0.036 0.000 1.159 735 V CA 1.070 63.388 62.300 0.030 0.000 1.125 735 V CB -0.260 31.574 31.823 0.018 0.000 0.774 735 V HN 0.363 nan 8.190 nan 0.000 0.464 736 N N 0.471 119.198 118.700 0.045 0.000 2.422 736 N HA 0.050 4.790 4.740 -0.000 0.000 0.181 736 N C 0.584 176.119 175.510 0.042 0.000 1.080 736 N CA 0.137 53.211 53.050 0.040 0.000 0.893 736 N CB 0.224 38.736 38.487 0.041 0.000 0.973 736 N HN 0.381 nan 8.380 nan 0.000 0.456 737 L N 3.062 124.314 121.223 0.049 0.000 2.325 737 L HA 0.137 4.477 4.340 -0.000 0.000 0.284 737 L C 0.356 177.254 176.870 0.047 0.000 1.089 737 L CA -0.216 54.654 54.840 0.051 0.000 0.836 737 L CB 0.681 42.777 42.059 0.062 0.000 1.184 737 L HN -0.040 nan 8.230 nan 0.000 0.444 738 K N 2.270 122.695 120.400 0.043 0.000 2.397 738 K HA -0.055 4.265 4.320 -0.000 0.000 0.265 738 K C 0.213 176.843 176.600 0.049 0.000 0.982 738 K CA -0.293 56.019 56.287 0.041 0.000 0.931 738 K CB 0.557 33.080 32.500 0.037 0.000 0.943 738 K HN 0.424 nan 8.250 nan 0.000 0.501 739 D N 1.013 121.442 120.400 0.047 0.000 2.400 739 D HA -0.052 4.588 4.640 -0.000 0.000 0.242 739 D C 0.908 177.249 176.300 0.069 0.000 1.077 739 D CA 0.635 54.668 54.000 0.054 0.000 0.943 739 D CB -0.153 40.675 40.800 0.047 0.000 0.882 739 D HN 0.406 nan 8.370 nan 0.000 0.529 740 L N -3.094 118.170 121.223 0.068 0.000 2.781 740 L HA 0.333 4.673 4.340 -0.000 0.000 0.245 740 L C 0.403 177.322 176.870 0.081 0.000 1.118 740 L CA -0.489 54.397 54.840 0.078 0.000 0.918 740 L CB -0.477 41.617 42.059 0.059 0.000 1.246 740 L HN -0.289 nan 8.230 nan 0.000 0.526 741 N N 1.400 120.144 118.700 0.072 0.000 2.454 741 N HA -0.004 4.736 4.740 -0.000 0.000 0.260 741 N C 0.915 176.486 175.510 0.102 0.000 1.218 741 N CA 0.199 53.289 53.050 0.067 0.000 0.904 741 N CB 0.455 38.980 38.487 0.062 0.000 1.065 741 N HN 0.193 nan 8.380 nan 0.000 0.462 742 N N 2.778 121.524 118.700 0.077 0.000 2.039 742 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 742 N C 1.465 177.092 175.510 0.195 0.000 1.044 742 N CA 1.050 54.182 53.050 0.136 0.000 0.847 742 N CB -0.555 37.851 38.487 -0.135 0.000 1.030 742 N HN 0.322 nan 8.380 nan 0.000 0.422 743 V N 1.994 121.974 119.914 0.110 0.000 2.317 743 V HA -0.287 3.832 4.120 -0.000 0.000 0.251 743 V C 2.539 178.710 176.094 0.128 0.000 1.065 743 V CA 1.841 64.211 62.300 0.117 0.000 1.049 743 V CB -0.510 31.361 31.823 0.080 0.000 0.651 743 V HN 0.399 nan 8.190 nan 0.000 0.450 744 K N -0.626 119.844 120.400 0.116 0.000 2.057 744 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 744 K C 2.259 178.924 176.600 0.110 0.000 1.050 744 K CA 1.568 57.917 56.287 0.104 0.000 0.935 744 K CB -0.178 32.375 32.500 0.088 0.000 0.715 744 K HN 0.519 nan 8.250 nan 0.000 0.439 745 Q N -0.178 119.708 119.800 0.144 0.000 2.197 745 Q HA -0.176 4.164 4.340 -0.000 0.000 0.207 745 Q C 2.029 178.082 176.000 0.089 0.000 0.984 745 Q CA 1.865 57.749 55.803 0.135 0.000 0.869 745 Q CB -0.047 28.829 28.738 0.230 0.000 0.906 745 Q HN 0.459 nan 8.270 nan 0.000 0.426 746 M N -0.713 118.971 119.600 0.140 0.000 2.388 746 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 746 M C 2.022 178.364 176.300 0.071 0.000 1.088 746 M CA 0.699 56.055 55.300 0.094 0.000 1.134 746 M CB 0.247 32.945 32.600 0.163 0.000 1.384 746 M HN 0.037 nan 8.290 nan 0.000 0.447 747 V N 0.266 120.230 119.914 0.083 0.000 2.548 747 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 747 V C 2.285 178.411 176.094 0.053 0.000 1.055 747 V CA 1.337 63.681 62.300 0.073 0.000 1.065 747 V CB -0.539 31.337 31.823 0.089 0.000 0.681 747 V HN 0.484 nan 8.190 nan 0.000 0.462 748 M N 0.073 119.701 119.600 0.047 0.000 2.156 748 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 748 M C 2.465 178.773 176.300 0.014 0.000 1.067 748 M CA 1.916 57.234 55.300 0.029 0.000 1.131 748 M CB -0.547 32.071 32.600 0.029 0.000 1.368 748 M HN 0.386 nan 8.290 nan 0.000 0.416 749 A N -0.051 122.771 122.820 0.004 0.000 1.902 749 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 749 A C 1.945 179.529 177.584 0.000 0.000 1.181 749 A CA 1.942 53.971 52.037 -0.014 0.000 0.623 749 A CB -0.985 17.990 19.000 -0.042 0.000 0.818 749 A HN 0.686 nan 8.150 nan 0.000 0.443 750 G N -1.782 107.027 108.800 0.015 0.000 2.179 750 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 750 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 750 G C 1.223 176.138 174.900 0.026 0.000 0.990 750 G CA 1.103 46.218 45.100 0.024 0.000 0.646 750 G HN 1.522 nan 8.290 nan 0.000 0.517 751 S N -0.952 114.760 115.700 0.020 0.000 2.442 751 S HA 0.315 4.785 4.470 -0.000 0.000 0.236 751 S C 0.907 175.530 174.600 0.039 0.000 1.007 751 S CA 1.755 59.969 58.200 0.024 0.000 0.965 751 S CB 0.352 63.555 63.200 0.006 0.000 0.773 751 S HN 0.525 nan 8.310 nan 0.000 0.504 752 K N -0.429 119.999 120.400 0.048 0.000 2.675 752 K HA 0.465 4.785 4.320 -0.000 0.000 0.280 752 K C -0.227 176.410 176.600 0.063 0.000 0.993 752 K CA 0.336 56.656 56.287 0.054 0.000 0.863 752 K CB 1.020 33.559 32.500 0.063 0.000 1.438 752 K HN 0.613 nan 8.250 nan 0.000 0.389 753 G N 1.271 110.106 108.800 0.058 0.000 2.797 753 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.686 753 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.686 753 G C -0.384 174.563 174.900 0.078 0.000 1.452 753 G CA 0.108 45.248 45.100 0.065 0.000 0.986 753 G HN 1.094 nan 8.290 nan 0.000 0.595 754 S N 1.265 117.018 115.700 0.089 0.000 2.740 754 S HA 0.762 5.232 4.470 -0.000 0.000 0.300 754 S C 0.951 175.662 174.600 0.185 0.000 1.147 754 S CA 0.244 58.519 58.200 0.125 0.000 0.871 754 S CB 1.558 64.826 63.200 0.113 0.000 1.173 754 S HN 1.784 nan 8.310 nan 0.000 0.510 755 F N 1.686 121.658 119.950 0.036 0.000 2.037 755 F HA -0.210 4.317 4.527 -0.000 0.000 0.296 755 F C 1.977 177.801 175.800 0.041 0.000 1.132 755 F CA 1.817 59.840 58.000 0.037 0.000 1.211 755 F CB -0.899 38.121 39.000 0.033 0.000 0.951 755 F HN 0.514 nan 8.300 nan 0.000 0.503 756 I N 1.060 121.501 120.570 -0.214 0.000 2.141 756 I HA -0.468 3.702 4.170 -0.000 0.000 0.243 756 I C 2.315 178.339 176.117 -0.155 0.000 1.035 756 I CA 2.096 63.203 61.300 -0.322 0.000 1.302 756 I CB -1.711 36.209 38.000 -0.133 0.000 1.006 756 I HN 0.350 nan 8.210 nan 0.000 0.413 757 N N 0.858 119.542 118.700 -0.026 0.000 2.037 757 N HA -0.218 4.522 4.740 -0.000 0.000 0.196 757 N C 1.936 177.469 175.510 0.039 0.000 1.034 757 N CA 1.778 54.845 53.050 0.028 0.000 0.861 757 N CB -0.426 38.091 38.487 0.050 0.000 1.039 757 N HN 0.431 nan 8.380 nan 0.000 0.427 758 I N 1.356 121.957 120.570 0.052 0.000 2.127 758 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 758 I C 2.521 178.659 176.117 0.034 0.000 1.075 758 I CA 1.185 62.529 61.300 0.073 0.000 1.334 758 I CB -0.519 37.562 38.000 0.135 0.000 1.040 758 I HN 0.066 nan 8.210 nan 0.000 0.405 759 A N 0.583 123.375 122.820 -0.047 0.000 1.842 759 A HA -0.322 3.998 4.320 -0.000 0.000 0.217 759 A C 2.270 179.805 177.584 -0.081 0.000 1.206 759 A CA 2.122 54.096 52.037 -0.105 0.000 0.630 759 A CB -1.042 17.757 19.000 -0.335 0.000 0.839 759 A HN 0.507 nan 8.150 nan 0.000 0.447 760 Q N -1.255 118.489 119.800 -0.094 0.000 2.197 760 Q HA -0.197 4.143 4.340 -0.000 0.000 0.207 760 Q C 2.198 178.195 176.000 -0.004 0.000 0.984 760 Q CA 1.832 57.576 55.803 -0.099 0.000 0.869 760 Q CB -0.292 28.438 28.738 -0.013 0.000 0.906 760 Q HN 0.762 nan 8.270 nan 0.000 0.426 761 M N -1.067 118.614 119.600 0.135 0.000 2.299 761 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 761 M C 2.068 178.423 176.300 0.093 0.000 1.095 761 M CA 1.037 56.459 55.300 0.204 0.000 1.165 761 M CB 0.274 32.969 32.600 0.158 0.000 1.349 761 M HN 0.014 nan 8.290 nan 0.000 0.446 762 S N 0.277 116.009 115.700 0.054 0.000 2.427 762 S HA 0.218 4.688 4.470 -0.000 0.000 0.224 762 S C 1.716 176.327 174.600 0.020 0.000 1.047 762 S CA 0.633 58.858 58.200 0.041 0.000 0.953 762 S CB -0.020 63.211 63.200 0.051 0.000 0.824 762 S HN 0.431 nan 8.310 nan 0.000 0.502 763 A N 0.493 123.317 122.820 0.006 0.000 2.712 763 A HA 0.455 4.775 4.320 -0.000 0.000 0.211 763 A C 0.875 178.436 177.584 -0.037 0.000 1.877 763 A CA 0.464 52.501 52.037 0.000 0.000 0.686 763 A CB -0.774 18.235 19.000 0.015 0.000 1.308 763 A HN 0.552 nan 8.150 nan 0.000 0.498 764 C N -1.154 118.107 119.300 -0.066 0.000 2.482 764 C HA 0.589 5.049 4.460 -0.000 0.000 0.317 764 C C 1.717 176.572 174.990 -0.225 0.000 1.197 764 C CA -0.330 58.617 59.018 -0.118 0.000 1.432 764 C CB 0.493 28.218 27.740 -0.024 0.000 2.062 764 C HN 0.594 nan 8.230 nan 0.000 0.471 765 V N 5.237 124.929 119.914 -0.370 0.000 2.215 765 V HA 0.223 4.343 4.120 -0.000 0.000 0.246 765 V C 1.664 177.518 176.094 -0.399 0.000 1.047 765 V CA 2.721 64.723 62.300 -0.497 0.000 0.999 765 V CB -1.259 30.160 31.823 -0.674 0.000 0.635 765 V HN 1.664 nan 8.190 nan 0.000 0.450 766 G N -1.228 107.244 108.800 -0.547 0.000 2.353 766 G HA2 0.142 4.101 3.960 -0.000 0.000 0.424 766 G HA3 0.142 4.101 3.960 -0.000 0.000 0.424 766 G C -1.105 173.451 174.900 -0.572 0.000 1.320 766 G CA -0.106 44.718 45.100 -0.461 0.000 0.995 766 G HN 0.488 nan 8.290 nan 0.000 0.580 767 Q N 0.203 119.908 119.800 -0.158 0.000 2.337 767 Q HA 0.590 4.930 4.340 -0.000 0.000 0.255 767 Q C 0.394 176.409 176.000 0.026 0.000 0.997 767 Q CA -0.179 55.664 55.803 0.067 0.000 0.925 767 Q CB 0.846 29.794 28.738 0.350 0.000 1.212 767 Q HN 0.522 nan 8.270 nan 0.000 0.436 768 Q N 1.561 121.378 119.800 0.029 0.000 2.395 768 Q HA 0.348 4.688 4.340 -0.000 0.000 0.271 768 Q C -0.714 175.296 176.000 0.016 0.000 1.026 768 Q CA 0.319 56.150 55.803 0.047 0.000 0.900 768 Q CB 1.071 29.875 28.738 0.109 0.000 1.266 768 Q HN 0.801 nan 8.270 nan 0.000 0.430 769 S N -0.389 115.308 115.700 -0.006 0.000 2.627 769 S HA 0.870 5.340 4.470 -0.000 0.000 0.283 769 S C -1.285 173.286 174.600 -0.049 0.000 1.127 769 S CA -0.832 57.348 58.200 -0.033 0.000 0.863 769 S CB 1.518 64.702 63.200 -0.026 0.000 1.121 769 S HN 0.227 nan 8.310 nan 0.000 0.479 770 V N 1.818 121.695 119.914 -0.062 0.000 2.577 770 V HA 0.500 4.620 4.120 -0.000 0.000 0.294 770 V C -0.400 175.658 176.094 -0.061 0.000 1.052 770 V CA -0.614 61.647 62.300 -0.065 0.000 0.891 770 V CB 0.613 32.389 31.823 -0.078 0.000 1.017 770 V HN 1.149 nan 8.190 nan 0.000 0.436 771 E N 3.300 123.470 120.200 -0.050 0.000 2.791 771 E HA -0.302 4.048 4.350 -0.000 0.000 0.271 771 E C 1.320 177.894 176.600 -0.044 0.000 1.044 771 E CA 0.837 57.211 56.400 -0.044 0.000 0.814 771 E CB -1.273 28.400 29.700 -0.044 0.000 1.400 771 E HN 1.586 nan 8.360 nan 0.000 0.423 772 G N -0.066 108.707 108.800 -0.044 0.000 2.498 772 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.229 772 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.229 772 G C 0.258 175.125 174.900 -0.056 0.000 1.156 772 G CA 0.518 45.592 45.100 -0.043 0.000 0.680 772 G HN 0.245 nan 8.290 nan 0.000 0.512 773 K N 2.557 122.915 120.400 -0.070 0.000 2.298 773 K HA 0.473 4.793 4.320 -0.000 0.000 0.280 773 K C 0.936 177.469 176.600 -0.111 0.000 1.032 773 K CA -0.518 55.712 56.287 -0.095 0.000 0.958 773 K CB 0.676 33.112 32.500 -0.106 0.000 0.978 773 K HN 0.637 nan 8.250 nan 0.000 0.472 774 R N 2.471 122.897 120.500 -0.124 0.000 2.679 774 R HA 0.069 4.409 4.340 -0.000 0.000 0.268 774 R C 0.274 176.461 176.300 -0.188 0.000 1.044 774 R CA -0.705 55.319 56.100 -0.127 0.000 1.105 774 R CB -0.094 30.140 30.300 -0.110 0.000 0.989 774 R HN 0.468 nan 8.270 nan 0.000 0.447 775 I N 1.181 121.628 120.570 -0.205 0.000 3.384 775 I HA -0.292 3.878 4.170 -0.000 0.000 0.361 775 I C 1.090 177.044 176.117 -0.272 0.000 1.146 775 I CA 0.983 62.121 61.300 -0.271 0.000 1.572 775 I CB -1.010 36.679 38.000 -0.518 0.000 1.239 775 I HN 0.881 nan 8.210 nan 0.000 0.473 776 A N 7.903 130.599 122.820 -0.208 0.000 2.450 776 A HA 0.596 4.916 4.320 -0.000 0.000 0.281 776 A C 0.046 177.625 177.584 -0.009 0.000 1.372 776 A CA -0.464 51.438 52.037 -0.225 0.000 0.886 776 A CB 0.402 19.311 19.000 -0.152 0.000 1.462 776 A HN 0.601 nan 8.150 nan 0.000 0.514 777 F N 0.538 120.451 119.950 -0.062 0.000 2.508 777 F HA 0.255 4.782 4.527 -0.000 0.000 0.329 777 F C 1.729 177.542 175.800 0.022 0.000 1.198 777 F CA -0.283 57.716 58.000 -0.001 0.000 1.268 777 F CB 0.389 39.396 39.000 0.012 0.000 1.584 777 F HN 0.750 nan 8.300 nan 0.000 0.570 778 G N 0.888 109.775 108.800 0.144 0.000 2.471 778 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 778 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 778 G C 0.451 175.410 174.900 0.097 0.000 1.125 778 G CA 0.130 45.246 45.100 0.027 0.000 0.775 778 G HN 0.397 nan 8.290 nan 0.000 0.548 779 F N 1.431 121.432 119.950 0.086 0.000 2.313 779 F HA 0.292 4.819 4.527 -0.000 0.000 0.369 779 F C 0.462 176.251 175.800 -0.019 0.000 1.109 779 F CA -1.226 56.791 58.000 0.029 0.000 1.132 779 F CB 1.658 40.666 39.000 0.013 0.000 1.291 779 F HN -0.287 nan 8.300 nan 0.000 0.496 780 V N 5.732 125.763 119.914 0.195 0.000 3.251 780 V HA -0.299 3.821 4.120 -0.000 0.000 0.270 780 V C 0.156 176.210 176.094 -0.067 0.000 1.042 780 V CA 1.053 63.395 62.300 0.069 0.000 1.169 780 V CB -1.341 30.509 31.823 0.045 0.000 0.726 780 V HN 0.869 nan 8.190 nan 0.000 0.406 781 D N 3.055 123.341 120.400 -0.190 0.000 2.718 781 D HA -0.166 4.474 4.640 -0.000 0.000 0.242 781 D C 0.365 175.999 176.300 -1.111 0.000 1.123 781 D CA 1.507 55.109 54.000 -0.663 0.000 0.690 781 D CB -0.321 40.331 40.800 -0.247 0.000 1.059 781 D HN 1.078 nan 8.370 nan 0.000 0.429 782 R N -4.051 115.641 120.500 -1.346 0.000 3.429 782 R HA 0.222 4.562 4.340 -0.000 0.000 0.277 782 R C 0.303 176.712 176.300 0.181 0.000 0.978 782 R CA -0.703 55.069 56.100 -0.548 0.000 0.891 782 R CB -0.146 30.097 30.300 -0.095 0.000 1.299 782 R HN -0.187 nan 8.270 nan 0.000 0.541 783 T N 0.775 115.600 114.554 0.453 0.000 2.668 783 T HA 0.152 4.502 4.350 -0.000 0.000 0.258 783 T C 0.890 175.802 174.700 0.354 0.000 1.051 783 T CA 0.990 63.341 62.100 0.418 0.000 1.155 783 T CB -0.159 68.987 68.868 0.464 0.000 0.864 783 T HN 0.304 nan 8.240 nan 0.000 0.413 784 L N 0.460 121.887 121.223 0.339 0.000 2.235 784 L HA 0.382 4.722 4.340 -0.000 0.000 0.260 784 L C -1.699 175.292 176.870 0.202 0.000 1.025 784 L CA -2.390 52.567 54.840 0.195 0.000 0.836 784 L CB 1.354 43.182 42.059 -0.385 0.000 1.395 784 L HN -0.113 nan 8.230 nan 0.000 0.443 785 P HA -0.073 nan 4.420 nan 0.000 0.241 785 P C 0.635 177.985 177.300 0.084 0.000 1.191 785 P CA 1.102 64.147 63.100 -0.092 0.000 0.771 785 P CB -0.045 31.558 31.700 -0.163 0.000 0.929 786 H N -1.479 117.445 119.070 -0.243 0.000 2.536 786 H HA 0.241 4.797 4.556 -0.000 0.000 0.276 786 H C 0.210 175.476 175.328 -0.102 0.000 1.019 786 H CA -0.376 55.519 56.048 -0.255 0.000 1.159 786 H CB -0.345 29.171 29.762 -0.409 0.000 1.373 786 H HN 0.187 nan 8.280 nan 0.000 0.584 787 F N 0.381 120.424 119.950 0.155 0.000 2.551 787 F HA 0.269 4.796 4.527 -0.000 0.000 0.316 787 F C 0.182 176.008 175.800 0.043 0.000 1.089 787 F CA -1.391 56.674 58.000 0.109 0.000 0.915 787 F CB 2.007 41.086 39.000 0.131 0.000 1.186 787 F HN -0.129 nan 8.300 nan 0.000 0.456 788 S N 3.150 118.998 115.700 0.247 0.000 2.455 788 S HA 0.122 4.592 4.470 -0.000 0.000 0.278 788 S C -0.046 174.593 174.600 0.065 0.000 1.216 788 S CA -0.710 57.557 58.200 0.112 0.000 1.055 788 S CB 0.238 63.491 63.200 0.088 0.000 0.939 788 S HN 0.437 nan 8.310 nan 0.000 0.494 789 K N 2.223 122.628 120.400 0.008 0.000 2.570 789 K HA -0.156 4.164 4.320 -0.000 0.000 0.274 789 K C -0.064 176.522 176.600 -0.023 0.000 0.967 789 K CA 0.738 56.983 56.287 -0.069 0.000 0.963 789 K CB -0.075 32.386 32.500 -0.066 0.000 0.883 789 K HN 0.630 nan 8.250 nan 0.000 0.519 790 D N 0.727 121.090 120.400 -0.062 0.000 2.697 790 D HA -0.177 4.463 4.640 -0.000 0.000 0.235 790 D C -0.812 175.684 176.300 0.327 0.000 1.167 790 D CA 0.983 55.110 54.000 0.213 0.000 0.656 790 D CB -0.605 40.300 40.800 0.175 0.000 1.025 790 D HN 0.404 nan 8.370 nan 0.000 0.419 791 D N 0.148 120.721 120.400 0.288 0.000 2.472 791 D HA 0.110 4.750 4.640 -0.000 0.000 0.234 791 D C -0.036 176.472 176.300 0.347 0.000 1.088 791 D CA -0.585 53.566 54.000 0.252 0.000 0.882 791 D CB 0.274 41.096 40.800 0.036 0.000 1.037 791 D HN 0.147 nan 8.370 nan 0.000 0.520 792 Y N 1.184 121.608 120.300 0.207 0.000 2.490 792 Y HA 0.019 4.569 4.550 -0.000 0.000 0.281 792 Y C 1.665 177.643 175.900 0.130 0.000 1.174 792 Y CA -0.280 57.949 58.100 0.215 0.000 1.295 792 Y CB -0.315 38.343 38.460 0.329 0.000 1.062 792 Y HN 0.268 nan 8.280 nan 0.000 0.522 793 S N 1.765 117.586 115.700 0.202 0.000 2.560 793 S HA -0.033 4.436 4.470 -0.000 0.000 0.276 793 S C -1.249 173.380 174.600 0.048 0.000 1.350 793 S CA -0.846 57.415 58.200 0.102 0.000 1.024 793 S CB 0.871 64.092 63.200 0.035 0.000 0.864 793 S HN 0.115 nan 8.310 nan 0.000 0.536 794 P HA -0.105 nan 4.420 nan 0.000 0.216 794 P C 0.638 178.022 177.300 0.140 0.000 1.153 794 P CA 1.337 64.454 63.100 0.029 0.000 0.848 794 P CB -0.169 31.463 31.700 -0.114 0.000 0.787 795 E N -0.340 119.929 120.200 0.115 0.000 2.515 795 E HA -0.041 4.309 4.350 -0.000 0.000 0.201 795 E C 1.932 178.643 176.600 0.186 0.000 1.071 795 E CA 0.648 57.162 56.400 0.191 0.000 0.880 795 E CB -0.476 29.302 29.700 0.129 0.000 0.828 795 E HN 0.259 nan 8.360 nan 0.000 0.540 796 S N -0.603 115.132 115.700 0.058 0.000 2.931 796 S HA 0.060 4.530 4.470 -0.000 0.000 0.251 796 S C 1.375 176.040 174.600 0.109 0.000 1.078 796 S CA -0.282 57.905 58.200 -0.022 0.000 0.835 796 S CB 0.231 63.133 63.200 -0.498 0.000 0.798 796 S HN -0.095 nan 8.310 nan 0.000 0.495 797 K N 1.599 122.005 120.400 0.010 0.000 2.616 797 K HA 0.137 4.457 4.320 -0.000 0.000 0.192 797 K C 0.917 177.446 176.600 -0.119 0.000 1.031 797 K CA 0.778 57.003 56.287 -0.104 0.000 1.004 797 K CB -0.414 32.015 32.500 -0.118 0.000 0.810 797 K HN 0.652 nan 8.250 nan 0.000 0.497 798 G N 1.319 110.127 108.800 0.014 0.000 2.173 798 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.174 798 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.174 798 G C -0.471 174.633 174.900 0.340 0.000 1.025 798 G CA -0.540 44.654 45.100 0.157 0.000 0.706 798 G HN 0.250 nan 8.290 nan 0.000 0.499 799 F N 0.922 121.002 119.950 0.218 0.000 2.399 799 F HA 0.679 5.206 4.527 -0.000 0.000 0.334 799 F C 0.195 176.074 175.800 0.132 0.000 1.097 799 F CA -0.971 57.105 58.000 0.128 0.000 1.076 799 F CB 1.940 40.987 39.000 0.078 0.000 1.162 799 F HN 0.021 nan 8.300 nan 0.000 0.495 800 V N 7.130 126.623 119.914 -0.701 0.000 2.284 800 V HA 0.122 4.242 4.120 -0.000 0.000 0.274 800 V C 0.778 176.465 176.094 -0.678 0.000 1.023 800 V CA -0.343 61.675 62.300 -0.469 0.000 0.808 800 V CB 0.893 32.474 31.823 -0.404 0.000 1.035 800 V HN 0.974 nan 8.190 nan 0.000 0.445 801 E N 4.005 124.087 120.200 -0.197 0.000 2.072 801 E HA -0.109 4.240 4.350 -0.000 0.000 0.191 801 E C 1.043 177.608 176.600 -0.058 0.000 0.985 801 E CA 0.654 57.096 56.400 0.070 0.000 0.801 801 E CB 0.269 30.139 29.700 0.283 0.000 0.750 801 E HN 0.722 nan 8.360 nan 0.000 0.452 802 N N 0.955 119.602 118.700 -0.089 0.000 2.267 802 N HA -0.042 4.698 4.740 -0.000 0.000 0.226 802 N C -0.289 175.110 175.510 -0.185 0.000 1.314 802 N CA 0.731 53.722 53.050 -0.098 0.000 0.887 802 N CB 0.889 39.331 38.487 -0.075 0.000 1.120 802 N HN 0.112 nan 8.380 nan 0.000 0.440 803 S N -0.713 114.906 115.700 -0.136 0.000 2.537 803 S HA 0.308 4.778 4.470 -0.000 0.000 0.301 803 S C 0.857 175.390 174.600 -0.111 0.000 1.092 803 S CA -0.779 57.325 58.200 -0.161 0.000 1.048 803 S CB 0.710 63.874 63.200 -0.060 0.000 1.053 803 S HN 0.538 nan 8.310 nan 0.000 0.501 804 Y N 0.473 120.741 120.300 -0.054 0.000 2.348 804 Y HA -0.178 4.372 4.550 -0.000 0.000 0.285 804 Y C 2.119 178.012 175.900 -0.013 0.000 1.173 804 Y CA 0.995 59.075 58.100 -0.034 0.000 1.263 804 Y CB -0.153 38.289 38.460 -0.030 0.000 0.974 804 Y HN 0.655 nan 8.280 nan 0.000 0.547 805 L N 0.222 121.522 121.223 0.128 0.000 2.072 805 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 805 L C 2.226 179.128 176.870 0.053 0.000 1.079 805 L CA 1.622 56.508 54.840 0.077 0.000 0.752 805 L CB -0.422 41.669 42.059 0.053 0.000 0.906 805 L HN -0.001 nan 8.230 nan 0.000 0.436 806 R N -0.295 120.225 120.500 0.034 0.000 2.055 806 R HA 0.285 4.625 4.340 -0.000 0.000 0.226 806 R C 0.305 176.621 176.300 0.027 0.000 1.135 806 R CA 0.760 56.873 56.100 0.021 0.000 0.959 806 R CB -0.378 29.925 30.300 0.005 0.000 0.854 806 R HN 0.491 nan 8.270 nan 0.000 0.431 807 G N 0.584 109.402 108.800 0.029 0.000 3.226 807 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.685 807 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.685 807 G C -0.927 173.990 174.900 0.029 0.000 1.207 807 G CA -1.067 44.062 45.100 0.048 0.000 0.877 807 G HN -0.006 nan 8.290 nan 0.000 0.585 808 L N 1.293 122.551 121.223 0.059 0.000 2.472 808 L HA 0.568 4.908 4.340 -0.000 0.000 0.273 808 L C 1.864 178.770 176.870 0.060 0.000 1.254 808 L CA 1.043 55.920 54.840 0.062 0.000 0.823 808 L CB 0.439 42.598 42.059 0.166 0.000 1.096 808 L HN 1.079 nan 8.230 nan 0.000 0.521 809 T N -2.078 112.509 114.554 0.055 0.000 2.945 809 T HA 0.457 4.807 4.350 -0.000 0.000 0.286 809 T C -1.997 172.739 174.700 0.061 0.000 1.025 809 T CA -1.901 60.221 62.100 0.036 0.000 1.039 809 T CB 1.602 70.487 68.868 0.029 0.000 1.068 809 T HN 0.363 nan 8.240 nan 0.000 0.497 810 P HA -0.198 nan 4.420 nan 0.000 0.217 810 P C 1.473 178.787 177.300 0.024 0.000 1.162 810 P CA 1.525 64.661 63.100 0.061 0.000 0.901 810 P CB 0.036 31.758 31.700 0.036 0.000 0.793 811 Q N -0.466 119.236 119.800 -0.163 0.000 1.993 811 Q HA -0.163 4.176 4.340 -0.000 0.000 0.202 811 Q C 2.177 177.721 176.000 -0.760 0.000 0.984 811 Q CA 1.499 56.959 55.803 -0.572 0.000 0.837 811 Q CB -0.929 27.512 28.738 -0.494 0.000 0.902 811 Q HN 0.347 nan 8.270 nan 0.000 0.423 812 E N 0.101 120.082 120.200 -0.367 0.000 2.055 812 E HA -0.269 4.081 4.350 -0.000 0.000 0.209 812 E C 1.784 178.359 176.600 -0.042 0.000 1.036 812 E CA 1.491 57.783 56.400 -0.179 0.000 0.849 812 E CB -0.412 29.263 29.700 -0.042 0.000 0.767 812 E HN 0.262 nan 8.360 nan 0.000 0.461 813 F N 0.659 120.574 119.950 -0.058 0.000 2.087 813 F HA -0.299 4.228 4.527 -0.000 0.000 0.299 813 F C 2.142 178.011 175.800 0.115 0.000 1.100 813 F CA 1.843 59.879 58.000 0.060 0.000 1.226 813 F CB -0.417 38.617 39.000 0.058 0.000 0.983 813 F HN 0.015 nan 8.300 nan 0.000 0.479 814 F N -0.119 119.810 119.950 -0.034 0.000 2.146 814 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 814 F C 2.129 177.969 175.800 0.067 0.000 1.096 814 F CA 1.620 59.594 58.000 -0.043 0.000 1.275 814 F CB -0.718 38.291 39.000 0.014 0.000 1.008 814 F HN 0.011 nan 8.300 nan 0.000 0.480 815 F N -1.082 118.975 119.950 0.178 0.000 2.102 815 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 815 F C 2.620 178.390 175.800 -0.049 0.000 1.105 815 F CA 1.047 59.090 58.000 0.072 0.000 1.239 815 F CB -0.957 38.122 39.000 0.131 0.000 0.991 815 F HN 0.068 nan 8.300 nan 0.000 0.474 816 H N 0.792 119.879 119.070 0.028 0.000 2.357 816 H HA -0.204 4.352 4.556 -0.000 0.000 0.296 816 H C 2.004 177.214 175.328 -0.197 0.000 1.108 816 H CA 1.421 57.412 56.048 -0.095 0.000 1.273 816 H CB -0.457 29.225 29.762 -0.134 0.000 1.367 816 H HN 0.206 nan 8.280 nan 0.000 0.498 817 A N 0.512 123.101 122.820 -0.385 0.000 1.841 817 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 817 A C 2.633 179.981 177.584 -0.393 0.000 1.199 817 A CA 2.090 53.822 52.037 -0.508 0.000 0.621 817 A CB -0.908 17.715 19.000 -0.629 0.000 0.835 817 A HN 0.517 nan 8.150 nan 0.000 0.445 818 M N -0.488 118.882 119.600 -0.384 0.000 2.088 818 M HA -0.193 4.287 4.480 -0.000 0.000 0.256 818 M C 2.304 178.496 176.300 -0.179 0.000 1.071 818 M CA 1.817 56.955 55.300 -0.270 0.000 1.097 818 M CB -0.939 31.547 32.600 -0.190 0.000 1.315 818 M HN 0.527 nan 8.290 nan 0.000 0.406 819 G N -0.452 108.271 108.800 -0.130 0.000 2.440 819 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 819 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 819 G C 1.503 176.327 174.900 -0.127 0.000 1.154 819 G CA 1.099 46.144 45.100 -0.091 0.000 0.767 819 G HN 0.590 nan 8.290 nan 0.000 0.552 820 G N 0.703 109.370 108.800 -0.221 0.000 2.396 820 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.214 820 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.214 820 G C 1.806 176.596 174.900 -0.183 0.000 1.166 820 G CA 1.039 46.001 45.100 -0.229 0.000 0.793 820 G HN 0.494 nan 8.290 nan 0.000 0.533 821 R N 1.235 121.610 120.500 -0.209 0.000 2.178 821 R HA -0.188 4.151 4.340 -0.000 0.000 0.257 821 R C 2.078 178.305 176.300 -0.122 0.000 1.163 821 R CA 2.349 58.347 56.100 -0.169 0.000 0.981 821 R CB -0.880 29.305 30.300 -0.190 0.000 0.878 821 R HN 0.524 nan 8.270 nan 0.000 0.454 822 E N -0.996 119.137 120.200 -0.113 0.000 2.031 822 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 822 E C 1.875 178.432 176.600 -0.072 0.000 0.994 822 E CA 1.422 57.772 56.400 -0.083 0.000 0.800 822 E CB -0.624 29.032 29.700 -0.074 0.000 0.752 822 E HN 0.552 nan 8.360 nan 0.000 0.447 823 G N 1.779 110.534 108.800 -0.074 0.000 2.553 823 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 823 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 823 G C 1.616 176.480 174.900 -0.059 0.000 1.195 823 G CA 1.286 46.349 45.100 -0.061 0.000 0.779 823 G HN 0.264 nan 8.290 nan 0.000 0.577 824 L N 0.099 121.280 121.223 -0.070 0.000 2.081 824 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 824 L C 2.902 179.740 176.870 -0.053 0.000 1.080 824 L CA 0.793 55.596 54.840 -0.062 0.000 0.754 824 L CB -0.450 41.566 42.059 -0.073 0.000 0.893 824 L HN 0.260 nan 8.230 nan 0.000 0.433 825 I N 0.641 121.177 120.570 -0.056 0.000 2.142 825 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 825 I C 2.086 178.181 176.117 -0.038 0.000 1.078 825 I CA 1.790 63.062 61.300 -0.047 0.000 1.343 825 I CB -0.429 37.542 38.000 -0.049 0.000 1.046 825 I HN 0.423 nan 8.210 nan 0.000 0.405 826 D N -0.926 119.452 120.400 -0.037 0.000 2.347 826 D HA -0.117 4.523 4.640 -0.000 0.000 0.215 826 D C 1.740 178.023 176.300 -0.028 0.000 0.976 826 D CA 0.726 54.708 54.000 -0.030 0.000 0.884 826 D CB -0.659 40.124 40.800 -0.028 0.000 0.915 826 D HN 0.109 nan 8.370 nan 0.000 0.526 827 T N -0.448 114.087 114.554 -0.033 0.000 2.995 827 T HA 0.098 4.448 4.350 -0.000 0.000 0.269 827 T C 1.547 176.230 174.700 -0.028 0.000 1.091 827 T CA 1.115 63.196 62.100 -0.031 0.000 1.128 827 T CB -0.091 68.755 68.868 -0.036 0.000 0.891 827 T HN 0.397 nan 8.240 nan 0.000 0.492 828 A N 0.182 122.985 122.820 -0.028 0.000 2.610 828 A HA 0.558 4.877 4.320 -0.000 0.000 0.286 828 A C 1.241 178.812 177.584 -0.021 0.000 1.306 828 A CA -0.215 51.807 52.037 -0.025 0.000 0.942 828 A CB 0.183 19.167 19.000 -0.027 0.000 1.112 828 A HN 0.317 nan 8.150 nan 0.000 0.527 829 V N -1.821 118.081 119.914 -0.019 0.000 3.154 829 V HA 0.121 4.241 4.120 -0.000 0.000 0.221 829 V C 1.381 177.470 176.094 -0.009 0.000 1.504 829 V CA 0.536 62.827 62.300 -0.015 0.000 1.243 829 V CB -0.178 31.635 31.823 -0.017 0.000 1.115 829 V HN 0.305 nan 8.190 nan 0.000 0.481 830 K N 0.564 120.957 120.400 -0.012 0.000 2.630 830 K HA 0.118 4.438 4.320 -0.000 0.000 0.204 830 K C 1.418 178.012 176.600 -0.010 0.000 1.024 830 K CA 1.029 57.310 56.287 -0.009 0.000 1.157 830 K CB -0.001 32.490 32.500 -0.015 0.000 0.899 830 K HN 0.481 nan 8.250 nan 0.000 0.501 831 T N -2.229 112.320 114.554 -0.008 0.000 3.125 831 T HA 0.233 4.583 4.350 -0.000 0.000 0.252 831 T C 1.560 176.261 174.700 0.003 0.000 0.981 831 T CA 0.523 62.617 62.100 -0.009 0.000 1.069 831 T CB 0.059 68.918 68.868 -0.015 0.000 1.091 831 T HN 0.155 nan 8.240 nan 0.000 0.460 832 A N 1.287 124.109 122.820 0.004 0.000 1.841 832 A HA 0.010 4.329 4.320 -0.000 0.000 0.214 832 A C 2.077 179.684 177.584 0.038 0.000 1.195 832 A CA 2.124 54.169 52.037 0.013 0.000 0.611 832 A CB -0.865 18.133 19.000 -0.004 0.000 0.835 832 A HN 0.648 nan 8.150 nan 0.000 0.443 833 E N -1.081 119.139 120.200 0.034 0.000 2.085 833 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 833 E C 2.070 178.730 176.600 0.100 0.000 0.994 833 E CA 1.613 58.055 56.400 0.069 0.000 0.801 833 E CB -0.188 29.540 29.700 0.045 0.000 0.743 833 E HN 0.552 nan 8.360 nan 0.000 0.453 834 T N -0.574 114.011 114.554 0.052 0.000 2.665 834 T HA -0.190 4.159 4.350 -0.000 0.000 0.268 834 T C 1.664 176.388 174.700 0.041 0.000 1.035 834 T CA 1.429 63.548 62.100 0.033 0.000 1.151 834 T CB -0.670 68.200 68.868 0.002 0.000 0.862 834 T HN 0.449 nan 8.240 nan 0.000 0.438 835 G N -0.755 108.075 108.800 0.049 0.000 2.462 835 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 835 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 835 G C 1.354 176.313 174.900 0.099 0.000 1.121 835 G CA 0.852 45.983 45.100 0.051 0.000 0.758 835 G HN 0.556 nan 8.290 nan 0.000 0.559 836 Y N 1.066 121.368 120.300 0.003 0.000 2.184 836 Y HA 0.088 4.638 4.550 -0.000 0.000 0.290 836 Y C 2.605 178.517 175.900 0.021 0.000 1.129 836 Y CA 0.767 58.882 58.100 0.024 0.000 1.144 836 Y CB -0.227 38.256 38.460 0.039 0.000 0.995 836 Y HN 0.153 nan 8.280 nan 0.000 0.513 837 I N 0.150 120.729 120.570 0.015 0.000 2.248 837 I HA -0.363 3.807 4.170 -0.000 0.000 0.248 837 I C 2.571 178.616 176.117 -0.120 0.000 1.107 837 I CA 1.499 62.754 61.300 -0.074 0.000 1.373 837 I CB -0.466 37.537 38.000 0.006 0.000 1.055 837 I HN 0.343 nan 8.210 nan 0.000 0.418 838 Q N 1.211 120.963 119.800 -0.079 0.000 2.002 838 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 838 Q C 2.286 178.204 176.000 -0.137 0.000 0.988 838 Q CA 1.974 57.722 55.803 -0.092 0.000 0.843 838 Q CB -0.287 28.417 28.738 -0.058 0.000 0.908 838 Q HN 0.444 nan 8.270 nan 0.000 0.420 839 R N -0.096 120.318 120.500 -0.143 0.000 2.082 839 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 839 R C 2.457 178.571 176.300 -0.309 0.000 1.136 839 R CA 1.867 57.856 56.100 -0.184 0.000 0.935 839 R CB -0.117 30.112 30.300 -0.118 0.000 0.842 839 R HN 0.139 nan 8.270 nan 0.000 0.430 840 R N 0.485 120.743 120.500 -0.403 0.000 2.122 840 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 840 R C 2.455 178.538 176.300 -0.362 0.000 1.129 840 R CA 2.251 58.095 56.100 -0.427 0.000 0.925 840 R CB -0.949 29.165 30.300 -0.309 0.000 0.850 840 R HN 0.239 nan 8.270 nan 0.000 0.431 841 L N 0.327 121.395 121.223 -0.257 0.000 2.054 841 L HA -0.343 3.997 4.340 -0.000 0.000 0.220 841 L C 2.374 179.072 176.870 -0.286 0.000 1.081 841 L CA 1.608 56.309 54.840 -0.231 0.000 0.780 841 L CB -0.822 41.142 42.059 -0.158 0.000 0.893 841 L HN 0.129 nan 8.230 nan 0.000 0.438 842 V N -0.795 118.958 119.914 -0.268 0.000 2.216 842 V HA -0.266 3.854 4.120 -0.000 0.000 0.243 842 V C 2.513 178.413 176.094 -0.324 0.000 1.044 842 V CA 1.655 63.804 62.300 -0.251 0.000 0.995 842 V CB -0.593 31.110 31.823 -0.200 0.000 0.633 842 V HN 0.350 nan 8.190 nan 0.000 0.446 843 K N 0.411 120.580 120.400 -0.385 0.000 2.173 843 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 843 K C 2.112 178.369 176.600 -0.572 0.000 1.046 843 K CA 1.771 57.809 56.287 -0.415 0.000 0.929 843 K CB -0.934 31.216 32.500 -0.583 0.000 0.720 843 K HN 0.537 nan 8.250 nan 0.000 0.453 844 A N 0.187 122.472 122.820 -0.891 0.000 2.168 844 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 844 A C 1.600 178.800 177.584 -0.640 0.000 1.152 844 A CA 0.901 52.143 52.037 -1.326 0.000 0.716 844 A CB -0.124 18.109 19.000 -1.279 0.000 0.794 844 A HN 0.286 nan 8.150 nan 0.000 0.465 845 L N -2.185 118.797 121.223 -0.401 0.000 3.386 845 L HA 0.192 4.532 4.340 -0.000 0.000 0.307 845 L C 1.146 177.905 176.870 -0.185 0.000 1.235 845 L CA -0.170 54.522 54.840 -0.247 0.000 1.056 845 L CB -0.295 41.648 42.059 -0.193 0.000 1.453 845 L HN 0.200 nan 8.230 nan 0.000 0.615 846 E N 2.048 122.136 120.200 -0.188 0.000 2.054 846 E HA -0.312 4.038 4.350 -0.000 0.000 0.225 846 E C 1.174 177.706 176.600 -0.113 0.000 1.048 846 E CA 2.243 58.560 56.400 -0.138 0.000 0.899 846 E CB -0.356 29.275 29.700 -0.116 0.000 0.801 846 E HN 0.606 nan 8.360 nan 0.000 0.495 847 D N 1.007 121.353 120.400 -0.090 0.000 2.421 847 D HA -0.178 4.462 4.640 -0.000 0.000 0.223 847 D C 0.408 176.670 176.300 -0.063 0.000 0.979 847 D CA 0.840 54.803 54.000 -0.062 0.000 0.959 847 D CB -0.658 40.121 40.800 -0.034 0.000 0.874 847 D HN 0.214 nan 8.370 nan 0.000 0.513 848 I N 0.865 121.377 120.570 -0.097 0.000 2.352 848 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 848 I C 0.444 176.451 176.117 -0.183 0.000 1.036 848 I CA -0.477 60.755 61.300 -0.113 0.000 1.336 848 I CB 0.561 38.497 38.000 -0.107 0.000 1.407 848 I HN 0.033 nan 8.210 nan 0.000 0.497 849 M N 5.023 124.462 119.600 -0.268 0.000 2.569 849 M HA 0.569 5.049 4.480 -0.000 0.000 0.279 849 M C -1.566 174.386 176.300 -0.581 0.000 1.253 849 M CA -0.925 54.139 55.300 -0.395 0.000 0.867 849 M CB 2.112 34.494 32.600 -0.364 0.000 1.727 849 M HN 0.041 nan 8.290 nan 0.000 0.467 850 V N 3.157 122.779 119.914 -0.486 0.000 2.521 850 V HA 0.218 4.338 4.120 -0.000 0.000 0.286 850 V C 0.058 175.865 176.094 -0.477 0.000 1.034 850 V CA 0.003 62.070 62.300 -0.388 0.000 1.045 850 V CB -0.218 31.455 31.823 -0.249 0.000 0.974 850 V HN 0.701 nan 8.190 nan 0.000 0.480 851 H N 3.712 122.730 119.070 -0.087 0.000 2.496 851 H HA 0.234 4.790 4.556 -0.000 0.000 0.342 851 H C 0.696 176.014 175.328 -0.016 0.000 1.170 851 H CA -0.510 55.484 56.048 -0.090 0.000 1.274 851 H CB 0.874 30.619 29.762 -0.029 0.000 1.538 851 H HN 0.635 nan 8.280 nan 0.000 0.542 852 Y N 0.621 121.026 120.300 0.174 0.000 2.405 852 Y HA -0.303 4.246 4.550 -0.000 0.000 0.282 852 Y C 1.857 177.804 175.900 0.078 0.000 1.182 852 Y CA 1.275 59.437 58.100 0.102 0.000 1.312 852 Y CB 0.130 38.649 38.460 0.098 0.000 0.971 852 Y HN 0.679 nan 8.280 nan 0.000 0.560 853 D N -2.068 118.480 120.400 0.247 0.000 2.347 853 D HA -0.113 4.527 4.640 -0.000 0.000 0.213 853 D C 0.238 176.624 176.300 0.143 0.000 0.985 853 D CA 0.659 54.759 54.000 0.167 0.000 0.879 853 D CB -0.168 40.719 40.800 0.145 0.000 0.919 853 D HN 0.132 nan 8.370 nan 0.000 0.526 854 N N -0.993 117.793 118.700 0.142 0.000 2.989 854 N HA -0.148 4.591 4.740 -0.000 0.000 0.247 854 N C -1.049 174.533 175.510 0.119 0.000 1.119 854 N CA 0.901 54.016 53.050 0.109 0.000 0.755 854 N CB -1.707 36.838 38.487 0.095 0.000 1.100 854 N HN 0.391 nan 8.380 nan 0.000 0.550 855 T N 0.097 114.726 114.554 0.125 0.000 2.885 855 T HA 0.451 4.801 4.350 -0.000 0.000 0.285 855 T C -0.201 174.538 174.700 0.066 0.000 1.019 855 T CA -0.003 62.170 62.100 0.121 0.000 1.010 855 T CB 1.195 70.149 68.868 0.143 0.000 1.022 855 T HN 0.050 nan 8.240 nan 0.000 0.466 856 T N 6.252 120.822 114.554 0.026 0.000 2.811 856 T HA 0.467 4.817 4.350 -0.000 0.000 0.309 856 T C 0.181 174.869 174.700 -0.020 0.000 1.005 856 T CA -0.458 61.626 62.100 -0.027 0.000 0.955 856 T CB 0.067 68.939 68.868 0.007 0.000 0.970 856 T HN 0.488 nan 8.240 nan 0.000 0.496 857 R N 2.299 122.832 120.500 0.053 0.000 3.018 857 R HA 0.568 4.907 4.340 -0.000 0.000 0.243 857 R C 0.587 176.945 176.300 0.096 0.000 1.315 857 R CA -1.098 55.058 56.100 0.094 0.000 1.039 857 R CB 1.345 31.752 30.300 0.178 0.000 1.315 857 R HN 0.661 nan 8.270 nan 0.000 0.492 858 N N -1.231 117.516 118.700 0.079 0.000 3.245 858 N HA 0.107 4.847 4.740 -0.000 0.000 0.333 858 N C 0.412 175.964 175.510 0.069 0.000 1.403 858 N CA -0.464 52.617 53.050 0.053 0.000 0.648 858 N CB 0.383 38.872 38.487 0.004 0.000 1.572 858 N HN 0.418 nan 8.380 nan 0.000 0.516 859 S N -0.750 114.966 115.700 0.026 0.000 2.548 859 S HA 0.218 4.687 4.470 -0.000 0.000 0.215 859 S C 1.609 176.208 174.600 -0.001 0.000 0.976 859 S CA -0.254 57.953 58.200 0.013 0.000 0.908 859 S CB -0.281 62.925 63.200 0.009 0.000 0.781 859 S HN 0.413 nan 8.310 nan 0.000 0.519 860 L N 0.651 121.876 121.223 0.002 0.000 2.463 860 L HA 0.353 4.693 4.340 -0.000 0.000 0.219 860 L C 1.805 178.663 176.870 -0.019 0.000 1.088 860 L CA 0.580 55.419 54.840 -0.003 0.000 0.849 860 L CB -0.280 41.785 42.059 0.010 0.000 1.012 860 L HN 0.567 nan 8.230 nan 0.000 0.468 861 G N 0.424 109.210 108.800 -0.024 0.000 2.141 861 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.231 861 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.231 861 G C -0.150 174.735 174.900 -0.025 0.000 0.984 861 G CA -0.159 44.911 45.100 -0.050 0.000 0.660 861 G HN 0.379 nan 8.290 nan 0.000 0.525 862 N N 0.729 119.420 118.700 -0.015 0.000 2.416 862 N HA 0.398 5.138 4.740 -0.000 0.000 0.265 862 N C 0.696 176.170 175.510 -0.060 0.000 1.195 862 N CA -0.044 52.992 53.050 -0.024 0.000 0.943 862 N CB 1.351 39.831 38.487 -0.012 0.000 1.115 862 N HN 0.238 nan 8.380 nan 0.000 0.481 863 V N 3.409 123.257 119.914 -0.110 0.000 2.644 863 V HA -0.074 4.046 4.120 -0.000 0.000 0.305 863 V C 1.528 177.458 176.094 -0.273 0.000 1.053 863 V CA 0.726 62.877 62.300 -0.249 0.000 1.186 863 V CB -0.042 31.463 31.823 -0.531 0.000 0.895 863 V HN 0.665 nan 8.190 nan 0.000 0.490 864 I N 2.277 122.709 120.570 -0.230 0.000 4.312 864 I HA 0.216 4.386 4.170 -0.000 0.000 0.324 864 I C 0.555 176.564 176.117 -0.180 0.000 1.298 864 I CA 0.338 61.542 61.300 -0.160 0.000 1.231 864 I CB 0.345 38.298 38.000 -0.078 0.000 1.152 864 I HN 0.618 nan 8.210 nan 0.000 0.421 865 Q N -0.394 119.271 119.800 -0.225 0.000 2.352 865 Q HA 0.326 4.666 4.340 -0.000 0.000 0.270 865 Q C -0.630 175.271 176.000 -0.165 0.000 1.006 865 Q CA -0.456 55.268 55.803 -0.132 0.000 0.880 865 Q CB 2.378 31.134 28.738 0.031 0.000 1.392 865 Q HN 0.002 nan 8.270 nan 0.000 0.401 866 F N 0.570 120.555 119.950 0.059 0.000 2.512 866 F HA 0.143 4.670 4.527 -0.000 0.000 0.296 866 F C 0.606 176.443 175.800 0.062 0.000 1.110 866 F CA 0.658 58.691 58.000 0.056 0.000 1.446 866 F CB 0.648 39.673 39.000 0.042 0.000 1.092 866 F HN 0.347 nan 8.300 nan 0.000 0.554 867 I N -1.227 119.475 120.570 0.221 0.000 2.534 867 I HA 0.091 4.261 4.170 -0.000 0.000 0.286 867 I C -0.919 175.285 176.117 0.145 0.000 1.094 867 I CA -1.213 60.180 61.300 0.156 0.000 1.055 867 I CB 0.869 38.937 38.000 0.115 0.000 1.225 867 I HN -0.159 nan 8.210 nan 0.000 0.435 868 Y N 6.999 127.309 120.300 0.017 0.000 2.846 868 Y HA 0.269 4.819 4.550 -0.000 0.000 0.352 868 Y C 1.390 177.294 175.900 0.006 0.000 1.298 868 Y CA 1.074 59.173 58.100 -0.002 0.000 1.634 868 Y CB -0.195 38.251 38.460 -0.024 0.000 1.214 868 Y HN 0.915 nan 8.280 nan 0.000 0.529 869 G N 4.476 113.133 108.800 -0.239 0.000 2.153 869 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.252 869 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.252 869 G C 0.328 175.148 174.900 -0.133 0.000 0.994 869 G CA 0.336 45.250 45.100 -0.309 0.000 0.698 869 G HN 0.922 nan 8.290 nan 0.000 0.521 870 E N -1.140 119.037 120.200 -0.039 0.000 2.791 870 E HA -0.261 4.088 4.350 -0.000 0.000 0.271 870 E C 0.877 177.444 176.600 -0.054 0.000 1.044 870 E CA 1.253 57.642 56.400 -0.018 0.000 0.814 870 E CB -0.786 28.892 29.700 -0.036 0.000 1.400 870 E HN 0.964 nan 8.360 nan 0.000 0.423 871 D N -2.497 117.860 120.400 -0.071 0.000 2.440 871 D HA 0.029 4.669 4.640 -0.000 0.000 0.481 871 D C 1.018 177.274 176.300 -0.073 0.000 1.095 871 D CA 0.575 54.535 54.000 -0.067 0.000 1.044 871 D CB -0.611 40.129 40.800 -0.100 0.000 1.513 871 D HN 0.387 nan 8.370 nan 0.000 0.416 872 G N 1.389 110.150 108.800 -0.065 0.000 2.203 872 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.263 872 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.263 872 G C 0.018 174.880 174.900 -0.064 0.000 1.012 872 G CA 0.976 46.068 45.100 -0.014 0.000 0.749 872 G HN 0.382 nan 8.290 nan 0.000 0.512 873 M N 0.608 120.125 119.600 -0.138 0.000 2.318 873 M HA 0.476 4.956 4.480 -0.000 0.000 0.347 873 M C -0.003 176.279 176.300 -0.031 0.000 1.175 873 M CA -1.854 53.357 55.300 -0.149 0.000 1.075 873 M CB 1.397 33.882 32.600 -0.192 0.000 1.614 873 M HN 0.158 nan 8.290 nan 0.000 0.456 874 D N 2.634 123.057 120.400 0.039 0.000 2.336 874 D HA 0.377 5.017 4.640 -0.000 0.000 0.249 874 D C 0.977 177.379 176.300 0.169 0.000 1.213 874 D CA 0.310 54.419 54.000 0.182 0.000 0.870 874 D CB 0.836 41.778 40.800 0.237 0.000 1.076 874 D HN 0.703 nan 8.370 nan 0.000 0.483 875 A N 4.473 127.367 122.820 0.124 0.000 2.016 875 A HA -0.302 4.018 4.320 -0.000 0.000 0.225 875 A C 2.175 179.797 177.584 0.065 0.000 1.230 875 A CA 2.571 54.647 52.037 0.064 0.000 0.678 875 A CB -1.000 18.045 19.000 0.075 0.000 0.826 875 A HN 0.745 nan 8.150 nan 0.000 0.484 876 A N -1.606 121.255 122.820 0.068 0.000 1.972 876 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 876 A C 1.471 178.961 177.584 -0.156 0.000 1.169 876 A CA 1.250 53.251 52.037 -0.061 0.000 0.635 876 A CB -0.695 18.219 19.000 -0.143 0.000 0.810 876 A HN 0.743 nan 8.150 nan 0.000 0.446 877 H N -0.805 118.273 119.070 0.014 0.000 2.638 877 H HA 0.470 5.026 4.556 -0.000 0.000 0.293 877 H C -0.872 174.446 175.328 -0.016 0.000 1.316 877 H CA 0.011 56.053 56.048 -0.009 0.000 1.099 877 H CB -0.351 29.376 29.762 -0.059 0.000 1.515 877 H HN 0.335 nan 8.280 nan 0.000 0.505 878 I N 1.216 121.844 120.570 0.096 0.000 2.619 878 I HA 0.236 4.406 4.170 -0.000 0.000 0.292 878 I C -0.538 175.664 176.117 0.143 0.000 1.100 878 I CA -0.655 60.702 61.300 0.095 0.000 1.043 878 I CB 2.783 40.832 38.000 0.083 0.000 1.239 878 I HN 0.164 nan 8.210 nan 0.000 0.420 879 E N 4.021 124.302 120.200 0.134 0.000 2.393 879 E HA 0.396 4.746 4.350 -0.000 0.000 0.273 879 E C -1.303 175.377 176.600 0.133 0.000 0.918 879 E CA -1.201 55.295 56.400 0.161 0.000 0.773 879 E CB 2.479 32.231 29.700 0.087 0.000 1.275 879 E HN 0.337 nan 8.360 nan 0.000 0.451 880 K N 2.466 122.939 120.400 0.121 0.000 2.294 880 K HA 0.066 4.386 4.320 -0.000 0.000 0.288 880 K C -0.174 176.453 176.600 0.045 0.000 1.072 880 K CA 0.145 56.470 56.287 0.064 0.000 0.960 880 K CB 0.290 32.797 32.500 0.010 0.000 1.043 880 K HN 0.318 nan 8.250 nan 0.000 0.455 881 Q N 0.648 120.486 119.800 0.062 0.000 2.166 881 Q HA 0.339 4.679 4.340 -0.000 0.000 0.226 881 Q C -0.319 175.698 176.000 0.027 0.000 0.989 881 Q CA -0.785 55.048 55.803 0.051 0.000 0.966 881 Q CB 1.688 30.475 28.738 0.082 0.000 1.173 881 Q HN 0.557 nan 8.270 nan 0.000 0.509 882 S N -0.080 115.630 115.700 0.017 0.000 2.532 882 S HA 0.480 4.949 4.470 -0.000 0.000 0.299 882 S C -0.279 174.323 174.600 0.003 0.000 1.105 882 S CA -0.845 57.356 58.200 0.001 0.000 1.018 882 S CB 0.582 63.773 63.200 -0.016 0.000 1.021 882 S HN 0.467 nan 8.310 nan 0.000 0.483 883 L N 3.339 124.555 121.223 -0.012 0.000 2.399 883 L HA 0.227 4.567 4.340 -0.000 0.000 0.257 883 L C 0.639 177.488 176.870 -0.034 0.000 1.236 883 L CA -0.489 54.323 54.840 -0.047 0.000 1.144 883 L CB -0.445 41.542 42.059 -0.121 0.000 1.379 883 L HN 0.750 nan 8.230 nan 0.000 0.414 884 D N 0.300 120.712 120.400 0.019 0.000 2.191 884 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 884 D C 1.684 178.023 176.300 0.065 0.000 1.003 884 D CA 1.729 55.772 54.000 0.072 0.000 0.867 884 D CB 0.027 40.924 40.800 0.162 0.000 0.926 884 D HN 0.453 nan 8.370 nan 0.000 0.450 885 T N 0.957 115.519 114.554 0.014 0.000 2.918 885 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 885 T C 1.996 176.595 174.700 -0.169 0.000 1.104 885 T CA 0.447 62.493 62.100 -0.089 0.000 1.114 885 T CB 0.115 68.910 68.868 -0.122 0.000 0.855 885 T HN 0.244 nan 8.240 nan 0.000 0.518 886 I N 0.071 120.565 120.570 -0.128 0.000 2.641 886 I HA 0.178 4.348 4.170 -0.000 0.000 0.232 886 I C 1.843 177.874 176.117 -0.144 0.000 1.060 886 I CA 0.130 61.339 61.300 -0.151 0.000 1.417 886 I CB -0.821 37.086 38.000 -0.156 0.000 1.227 886 I HN 0.227 nan 8.210 nan 0.000 0.434 887 G N 0.320 109.031 108.800 -0.150 0.000 2.630 887 G HA2 0.387 4.347 3.960 -0.000 0.000 0.236 887 G HA3 0.387 4.347 3.960 -0.000 0.000 0.236 887 G C -0.053 174.834 174.900 -0.022 0.000 1.248 887 G CA 0.588 45.608 45.100 -0.133 0.000 0.844 887 G HN 0.781 nan 8.290 nan 0.000 0.588 888 G N -0.698 108.119 108.800 0.028 0.000 2.742 888 G HA2 0.376 4.336 3.960 -0.000 0.000 0.686 888 G HA3 0.376 4.336 3.960 -0.000 0.000 0.686 888 G C -0.009 174.943 174.900 0.087 0.000 1.220 888 G CA 0.070 45.213 45.100 0.071 0.000 0.783 888 G HN 1.947 nan 8.290 nan 0.000 0.646 889 S N 0.764 116.520 115.700 0.095 0.000 2.563 889 S HA 0.253 4.723 4.470 -0.000 0.000 0.284 889 S C 1.036 175.702 174.600 0.110 0.000 1.331 889 S CA 0.573 58.827 58.200 0.090 0.000 1.047 889 S CB 1.347 64.596 63.200 0.081 0.000 0.859 889 S HN 0.572 nan 8.310 nan 0.000 0.514 890 D N 1.843 122.297 120.400 0.089 0.000 2.265 890 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 890 D C 2.002 178.419 176.300 0.194 0.000 0.977 890 D CA 1.454 55.528 54.000 0.123 0.000 0.871 890 D CB -0.341 40.510 40.800 0.083 0.000 0.925 890 D HN 0.725 nan 8.370 nan 0.000 0.485 891 A N 1.601 124.507 122.820 0.144 0.000 1.828 891 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 891 A C 2.435 180.112 177.584 0.155 0.000 1.203 891 A CA 2.097 54.214 52.037 0.132 0.000 0.614 891 A CB -1.005 18.050 19.000 0.092 0.000 0.844 891 A HN 0.215 nan 8.150 nan 0.000 0.445 892 A N -1.558 121.349 122.820 0.144 0.000 1.997 892 A HA -0.177 4.143 4.320 -0.000 0.000 0.221 892 A C 2.024 179.740 177.584 0.220 0.000 1.172 892 A CA 1.974 54.097 52.037 0.145 0.000 0.645 892 A CB -0.813 18.263 19.000 0.127 0.000 0.813 892 A HN 0.722 nan 8.150 nan 0.000 0.454 893 F N 0.448 120.456 119.950 0.098 0.000 2.134 893 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 893 F C 2.152 178.077 175.800 0.207 0.000 1.097 893 F CA 2.024 60.088 58.000 0.107 0.000 1.264 893 F CB -0.300 38.694 39.000 -0.010 0.000 1.001 893 F HN 0.429 nan 8.300 nan 0.000 0.479 894 E N 0.207 120.520 120.200 0.188 0.000 2.015 894 E HA -0.274 4.076 4.350 -0.000 0.000 0.191 894 E C 2.162 178.796 176.600 0.056 0.000 0.991 894 E CA 1.157 57.651 56.400 0.156 0.000 0.802 894 E CB -0.283 29.526 29.700 0.180 0.000 0.759 894 E HN 0.288 nan 8.360 nan 0.000 0.447 895 K N 0.409 120.827 120.400 0.031 0.000 2.520 895 K HA -0.184 4.136 4.320 -0.000 0.000 0.197 895 K C 1.989 178.552 176.600 -0.062 0.000 1.043 895 K CA 0.946 57.206 56.287 -0.044 0.000 0.944 895 K CB 0.081 32.564 32.500 -0.028 0.000 0.770 895 K HN -0.044 nan 8.250 nan 0.000 0.480 896 R N -1.378 119.111 120.500 -0.018 0.000 2.225 896 R HA 0.034 4.374 4.340 -0.000 0.000 0.194 896 R C 0.868 176.997 176.300 -0.286 0.000 0.949 896 R CA 0.370 56.388 56.100 -0.137 0.000 1.088 896 R CB 0.308 30.560 30.300 -0.080 0.000 1.106 896 R HN 0.164 nan 8.270 nan 0.000 0.566 897 Y N -0.404 119.752 120.300 -0.240 0.000 2.444 897 Y HA 0.325 4.875 4.550 -0.000 0.000 0.252 897 Y C 0.319 176.230 175.900 0.018 0.000 1.091 897 Y CA -0.496 57.480 58.100 -0.208 0.000 1.276 897 Y CB 0.228 38.394 38.460 -0.490 0.000 1.170 897 Y HN -0.166 nan 8.280 nan 0.000 0.517 898 R N 1.499 122.146 120.500 0.246 0.000 2.401 898 R HA 0.437 4.777 4.340 -0.000 0.000 0.299 898 R C -1.434 174.858 176.300 -0.013 0.000 1.064 898 R CA -0.034 56.138 56.100 0.121 0.000 1.000 898 R CB 0.210 30.476 30.300 -0.057 0.000 0.973 898 R HN -0.067 nan 8.270 nan 0.000 0.438 899 V N 5.100 124.997 119.914 -0.028 0.000 2.525 899 V HA 0.284 4.404 4.120 -0.000 0.000 0.299 899 V C -1.066 175.005 176.094 -0.039 0.000 1.034 899 V CA -0.798 61.486 62.300 -0.028 0.000 0.863 899 V CB 1.826 33.644 31.823 -0.010 0.000 0.999 899 V HN 0.769 nan 8.190 nan 0.000 0.423 900 D N 4.369 124.764 120.400 -0.010 0.000 2.462 900 D HA 0.385 5.025 4.640 -0.000 0.000 0.245 900 D C 0.519 176.819 176.300 -0.000 0.000 1.122 900 D CA -0.332 53.662 54.000 -0.009 0.000 0.864 900 D CB 1.930 42.743 40.800 0.022 0.000 1.098 900 D HN 0.423 nan 8.370 nan 0.000 0.541 901 L N 3.235 124.449 121.223 -0.014 0.000 2.599 901 L HA 0.141 4.481 4.340 -0.000 0.000 0.230 901 L C 1.197 178.058 176.870 -0.014 0.000 1.141 901 L CA 0.379 55.212 54.840 -0.012 0.000 0.877 901 L CB 0.123 42.172 42.059 -0.016 0.000 1.009 901 L HN 0.344 nan 8.230 nan 0.000 0.447 902 L N -0.456 120.755 121.223 -0.019 0.000 3.062 902 L HA 0.296 4.636 4.340 -0.000 0.000 0.255 902 L C -0.130 176.721 176.870 -0.031 0.000 1.274 902 L CA 0.042 54.867 54.840 -0.025 0.000 1.047 902 L CB -0.303 41.737 42.059 -0.031 0.000 1.402 902 L HN 0.222 nan 8.230 nan 0.000 0.550 903 N N -1.220 117.468 118.700 -0.019 0.000 2.455 903 N HA 0.120 4.860 4.740 -0.000 0.000 0.285 903 N C 0.544 176.058 175.510 0.007 0.000 1.080 903 N CA -0.203 52.832 53.050 -0.026 0.000 0.932 903 N CB 1.755 40.207 38.487 -0.059 0.000 1.610 903 N HN -0.135 nan 8.380 nan 0.000 0.493 904 T N 0.717 115.269 114.554 -0.002 0.000 2.849 904 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 904 T C 0.276 175.002 174.700 0.042 0.000 1.066 904 T CA 1.199 63.306 62.100 0.012 0.000 1.130 904 T CB -0.075 68.794 68.868 0.001 0.000 0.864 904 T HN 0.576 nan 8.240 nan 0.000 0.481 905 D N -0.647 119.808 120.400 0.092 0.000 2.474 905 D HA 0.076 4.715 4.640 -0.000 0.000 0.213 905 D C 0.523 177.006 176.300 0.306 0.000 1.120 905 D CA 0.243 54.349 54.000 0.176 0.000 0.836 905 D CB 0.241 41.161 40.800 0.201 0.000 1.019 905 D HN 0.389 nan 8.370 nan 0.000 0.507 906 H N -0.384 118.665 119.070 -0.034 0.000 2.581 906 H HA 0.281 4.837 4.556 -0.000 0.000 0.275 906 H C 0.006 175.307 175.328 -0.046 0.000 1.126 906 H CA -0.147 55.876 56.048 -0.043 0.000 1.097 906 H CB 0.668 30.398 29.762 -0.054 0.000 1.626 906 H HN -0.148 nan 8.280 nan 0.000 0.565 907 T N 0.544 115.132 114.554 0.057 0.000 2.936 907 T HA 0.470 4.820 4.350 -0.000 0.000 0.282 907 T C -0.012 174.681 174.700 -0.011 0.000 1.003 907 T CA -0.788 61.319 62.100 0.013 0.000 1.005 907 T CB 0.742 69.614 68.868 0.007 0.000 1.097 907 T HN 0.116 nan 8.240 nan 0.000 0.532 908 L N 2.798 124.008 121.223 -0.021 0.000 2.360 908 L HA 0.279 4.619 4.340 -0.000 0.000 0.276 908 L C 0.812 177.667 176.870 -0.025 0.000 1.121 908 L CA -0.589 54.233 54.840 -0.031 0.000 0.845 908 L CB 0.241 42.278 42.059 -0.036 0.000 1.143 908 L HN 0.617 nan 8.230 nan 0.000 0.452 909 D N 6.838 127.222 120.400 -0.026 0.000 2.434 909 D HA 0.005 4.645 4.640 -0.000 0.000 0.252 909 D C -1.418 174.871 176.300 -0.018 0.000 1.185 909 D CA -1.175 52.813 54.000 -0.019 0.000 0.886 909 D CB 1.453 42.241 40.800 -0.020 0.000 1.148 909 D HN 0.361 nan 8.370 nan 0.000 0.483 910 P HA -0.128 nan 4.420 nan 0.000 0.240 910 P C 0.945 178.238 177.300 -0.013 0.000 1.186 910 P CA 0.503 63.594 63.100 -0.015 0.000 0.755 910 P CB -0.049 31.644 31.700 -0.012 0.000 0.870 911 S N -1.592 114.101 115.700 -0.011 0.000 2.496 911 S HA 0.036 4.505 4.470 -0.000 0.000 0.224 911 S C 1.751 176.347 174.600 -0.006 0.000 0.996 911 S CA 0.090 58.286 58.200 -0.007 0.000 0.927 911 S CB -0.863 62.334 63.200 -0.004 0.000 0.774 911 S HN 0.120 nan 8.310 nan 0.000 0.524 912 L N -0.324 120.892 121.223 -0.013 0.000 2.265 912 L HA 0.444 4.783 4.340 -0.000 0.000 0.195 912 L C 0.815 177.672 176.870 -0.021 0.000 1.083 912 L CA -0.072 54.760 54.840 -0.014 0.000 0.798 912 L CB -0.552 41.493 42.059 -0.023 0.000 0.989 912 L HN 0.299 nan 8.230 nan 0.000 0.472 913 L N 0.439 121.646 121.223 -0.027 0.000 2.350 913 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 913 L C 1.113 177.967 176.870 -0.027 0.000 1.099 913 L CA 0.358 55.178 54.840 -0.033 0.000 0.808 913 L CB 1.134 43.169 42.059 -0.040 0.000 1.149 913 L HN 0.111 nan 8.230 nan 0.000 0.442 914 E N 0.947 121.130 120.200 -0.028 0.000 2.031 914 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 914 E C 1.081 177.669 176.600 -0.021 0.000 0.994 914 E CA 1.521 57.908 56.400 -0.022 0.000 0.800 914 E CB 0.112 29.798 29.700 -0.023 0.000 0.752 914 E HN 0.843 nan 8.360 nan 0.000 0.447 915 S N -0.332 115.352 115.700 -0.026 0.000 2.859 915 S HA 0.179 4.649 4.470 -0.000 0.000 0.245 915 S C 1.271 175.857 174.600 -0.023 0.000 1.008 915 S CA -0.092 58.093 58.200 -0.024 0.000 1.089 915 S CB 0.323 63.507 63.200 -0.027 0.000 0.798 915 S HN 0.354 nan 8.310 nan 0.000 0.477 916 G N 3.476 112.263 108.800 -0.022 0.000 2.771 916 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.214 916 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.214 916 G C 1.726 176.615 174.900 -0.017 0.000 1.331 916 G CA 1.438 46.525 45.100 -0.021 0.000 0.812 916 G HN 0.807 nan 8.290 nan 0.000 0.628 917 S N 1.686 117.377 115.700 -0.014 0.000 2.381 917 S HA -0.296 4.174 4.470 -0.000 0.000 0.230 917 S C 2.057 176.649 174.600 -0.013 0.000 1.052 917 S CA 2.300 60.492 58.200 -0.012 0.000 1.068 917 S CB -0.804 62.390 63.200 -0.010 0.000 0.918 917 S HN 0.803 nan 8.310 nan 0.000 0.448 918 E N 0.653 120.845 120.200 -0.013 0.000 2.533 918 E HA 0.119 4.468 4.350 -0.000 0.000 0.201 918 E C 1.574 178.165 176.600 -0.015 0.000 1.097 918 E CA 0.625 57.017 56.400 -0.013 0.000 0.887 918 E CB -0.348 29.344 29.700 -0.013 0.000 0.855 918 E HN 0.708 nan 8.360 nan 0.000 0.540 919 I N 0.228 120.788 120.570 -0.016 0.000 3.616 919 I HA 0.066 4.236 4.170 -0.000 0.000 0.296 919 I C 0.961 177.069 176.117 -0.016 0.000 1.226 919 I CA -0.418 60.871 61.300 -0.017 0.000 1.394 919 I CB 0.509 38.496 38.000 -0.021 0.000 1.171 919 I HN 0.199 nan 8.210 nan 0.000 0.442 920 L N 2.645 123.859 121.223 -0.014 0.000 2.852 920 L HA -0.105 4.235 4.340 -0.000 0.000 0.281 920 L C 1.097 177.960 176.870 -0.013 0.000 1.110 920 L CA 1.217 56.049 54.840 -0.012 0.000 1.030 920 L CB -0.294 41.758 42.059 -0.011 0.000 1.405 920 L HN 0.559 nan 8.230 nan 0.000 0.464 921 G N 2.534 111.325 108.800 -0.014 0.000 2.349 921 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.213 921 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.213 921 G C 0.278 175.169 174.900 -0.014 0.000 1.044 921 G CA 0.033 45.124 45.100 -0.015 0.000 0.633 921 G HN 0.694 nan 8.290 nan 0.000 0.506 922 D N 1.413 121.805 120.400 -0.014 0.000 2.982 922 D HA 0.025 4.665 4.640 -0.000 0.000 0.222 922 D C 1.749 178.041 176.300 -0.013 0.000 1.124 922 D CA 0.674 54.666 54.000 -0.013 0.000 0.810 922 D CB 0.250 41.042 40.800 -0.014 0.000 1.152 922 D HN 0.330 nan 8.370 nan 0.000 0.538 923 L N 4.375 125.591 121.223 -0.012 0.000 2.095 923 L HA -0.109 4.231 4.340 -0.000 0.000 0.204 923 L C 2.527 179.391 176.870 -0.010 0.000 1.080 923 L CA 0.742 55.575 54.840 -0.011 0.000 0.759 923 L CB -0.108 41.945 42.059 -0.011 0.000 0.914 923 L HN 0.371 nan 8.230 nan 0.000 0.439 924 K N -0.087 120.308 120.400 -0.009 0.000 2.280 924 K HA -0.135 4.185 4.320 -0.000 0.000 0.202 924 K C 1.974 178.569 176.600 -0.007 0.000 1.047 924 K CA 0.974 57.257 56.287 -0.007 0.000 0.942 924 K CB -0.008 32.488 32.500 -0.007 0.000 0.739 924 K HN 0.307 nan 8.250 nan 0.000 0.457 925 L N 0.325 121.542 121.223 -0.010 0.000 2.049 925 L HA -0.119 4.221 4.340 -0.000 0.000 0.203 925 L C 2.321 179.186 176.870 -0.008 0.000 1.074 925 L CA 0.691 55.524 54.840 -0.010 0.000 0.749 925 L CB -0.348 41.702 42.059 -0.015 0.000 0.907 925 L HN 0.117 nan 8.230 nan 0.000 0.439 926 Q N 0.011 119.805 119.800 -0.010 0.000 2.522 926 Q HA -0.143 4.197 4.340 -0.000 0.000 0.216 926 Q C 2.045 178.043 176.000 -0.005 0.000 0.986 926 Q CA 1.002 56.799 55.803 -0.011 0.000 0.901 926 Q CB -0.221 28.507 28.738 -0.017 0.000 0.954 926 Q HN 0.386 nan 8.270 nan 0.000 0.502 927 V N -0.322 119.591 119.914 -0.001 0.000 2.500 927 V HA -0.146 3.974 4.120 -0.000 0.000 0.243 927 V C 2.199 178.300 176.094 0.012 0.000 1.039 927 V CA 0.826 63.129 62.300 0.005 0.000 1.053 927 V CB -0.285 31.540 31.823 0.003 0.000 0.695 927 V HN 0.261 nan 8.190 nan 0.000 0.463 928 L N -0.732 120.497 121.223 0.009 0.000 2.109 928 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 928 L C 2.446 179.331 176.870 0.025 0.000 1.086 928 L CA 0.853 55.701 54.840 0.014 0.000 0.760 928 L CB -0.426 41.636 42.059 0.005 0.000 0.910 928 L HN 0.293 nan 8.230 nan 0.000 0.437 929 L N -0.098 121.136 121.223 0.019 0.000 2.027 929 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 929 L C 2.243 179.146 176.870 0.055 0.000 1.074 929 L CA 1.846 56.704 54.840 0.030 0.000 0.745 929 L CB -0.994 41.070 42.059 0.008 0.000 0.898 929 L HN 0.308 nan 8.230 nan 0.000 0.433 930 D N -0.391 120.030 120.400 0.036 0.000 2.144 930 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 930 D C 2.053 178.410 176.300 0.094 0.000 0.978 930 D CA 0.850 54.881 54.000 0.051 0.000 0.833 930 D CB 0.210 41.021 40.800 0.020 0.000 0.961 930 D HN 0.407 nan 8.370 nan 0.000 0.470 931 E N 0.643 120.882 120.200 0.066 0.000 2.058 931 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 931 E C 2.014 178.662 176.600 0.080 0.000 0.997 931 E CA 0.945 57.383 56.400 0.063 0.000 0.801 931 E CB -0.031 29.693 29.700 0.039 0.000 0.746 931 E HN 0.373 nan 8.360 nan 0.000 0.450 932 E N 0.025 120.275 120.200 0.083 0.000 2.070 932 E HA -0.267 4.082 4.350 -0.000 0.000 0.197 932 E C 2.008 178.679 176.600 0.119 0.000 1.004 932 E CA 1.320 57.771 56.400 0.085 0.000 0.805 932 E CB -0.272 29.479 29.700 0.085 0.000 0.744 932 E HN 0.318 nan 8.360 nan 0.000 0.451 933 Y N 1.081 121.395 120.300 0.024 0.000 2.145 933 Y HA -0.150 4.400 4.550 -0.000 0.000 0.286 933 Y C 2.217 178.149 175.900 0.052 0.000 1.145 933 Y CA 1.973 60.091 58.100 0.029 0.000 1.148 933 Y CB 0.053 38.523 38.460 0.017 0.000 0.981 933 Y HN -0.067 nan 8.280 nan 0.000 0.507 934 K N -0.348 120.207 120.400 0.258 0.000 2.218 934 K HA -0.304 4.016 4.320 -0.000 0.000 0.205 934 K C 2.040 178.685 176.600 0.074 0.000 1.046 934 K CA 1.654 58.041 56.287 0.167 0.000 0.933 934 K CB -0.131 32.441 32.500 0.120 0.000 0.728 934 K HN 0.322 nan 8.250 nan 0.000 0.454 935 Q N 1.116 120.945 119.800 0.048 0.000 1.946 935 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 935 Q C 1.888 177.873 176.000 -0.026 0.000 0.979 935 Q CA 1.396 57.205 55.803 0.010 0.000 0.834 935 Q CB -0.397 28.345 28.738 0.007 0.000 0.899 935 Q HN 0.214 nan 8.270 nan 0.000 0.431 936 L N -0.041 121.148 121.223 -0.057 0.000 2.085 936 L HA -0.273 4.067 4.340 -0.000 0.000 0.218 936 L C 2.348 179.190 176.870 -0.046 0.000 1.080 936 L CA 1.477 56.267 54.840 -0.083 0.000 0.776 936 L CB -1.060 40.890 42.059 -0.183 0.000 0.891 936 L HN 0.158 nan 8.230 nan 0.000 0.437 937 V N -0.006 119.871 119.914 -0.061 0.000 2.270 937 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 937 V C 2.652 178.710 176.094 -0.061 0.000 1.043 937 V CA 2.094 64.358 62.300 -0.060 0.000 1.014 937 V CB -0.561 31.269 31.823 0.012 0.000 0.645 937 V HN 0.468 nan 8.190 nan 0.000 0.447 938 K N 0.111 120.505 120.400 -0.011 0.000 2.074 938 K HA -0.301 4.019 4.320 -0.000 0.000 0.209 938 K C 1.760 178.383 176.600 0.039 0.000 1.048 938 K CA 2.445 58.745 56.287 0.022 0.000 0.926 938 K CB -0.340 32.184 32.500 0.040 0.000 0.713 938 K HN 0.502 nan 8.250 nan 0.000 0.444 939 D N -0.106 120.286 120.400 -0.013 0.000 2.106 939 D HA -0.186 4.454 4.640 -0.000 0.000 0.191 939 D C 1.950 178.235 176.300 -0.024 0.000 0.997 939 D CA 1.454 55.428 54.000 -0.043 0.000 0.834 939 D CB -0.086 40.644 40.800 -0.115 0.000 0.956 939 D HN 0.164 nan 8.370 nan 0.000 0.448 940 R N 0.844 121.269 120.500 -0.126 0.000 2.154 940 R HA -0.181 4.159 4.340 -0.000 0.000 0.236 940 R C 1.863 178.121 176.300 -0.069 0.000 1.121 940 R CA 1.720 57.699 56.100 -0.202 0.000 0.915 940 R CB -0.085 29.958 30.300 -0.429 0.000 0.856 940 R HN -0.013 nan 8.270 nan 0.000 0.431 941 K N -0.121 120.248 120.400 -0.052 0.000 2.160 941 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 941 K C 2.061 178.687 176.600 0.044 0.000 1.047 941 K CA 1.630 57.909 56.287 -0.013 0.000 0.930 941 K CB -0.670 31.816 32.500 -0.023 0.000 0.720 941 K HN 0.336 nan 8.250 nan 0.000 0.450 942 F N 1.617 121.531 119.950 -0.060 0.000 2.060 942 F HA -0.158 4.369 4.527 -0.000 0.000 0.295 942 F C 2.068 177.858 175.800 -0.016 0.000 1.120 942 F CA 1.106 59.081 58.000 -0.041 0.000 1.205 942 F CB -0.119 38.854 39.000 -0.045 0.000 0.986 942 F HN -0.153 nan 8.300 nan 0.000 0.470 943 L N 0.267 121.751 121.223 0.435 0.000 2.042 943 L HA -0.222 4.117 4.340 -0.000 0.000 0.210 943 L C 2.287 179.304 176.870 0.245 0.000 1.076 943 L CA 1.397 56.431 54.840 0.323 0.000 0.749 943 L CB -0.848 41.248 42.059 0.062 0.000 0.893 943 L HN 0.102 nan 8.230 nan 0.000 0.432 944 R N -0.054 120.528 120.500 0.137 0.000 2.357 944 R HA -0.095 4.245 4.340 -0.000 0.000 0.202 944 R C 1.448 177.794 176.300 0.076 0.000 1.047 944 R CA 0.437 56.618 56.100 0.134 0.000 1.034 944 R CB -0.032 30.334 30.300 0.112 0.000 0.875 944 R HN 0.474 nan 8.270 nan 0.000 0.473 945 E N -0.561 119.654 120.200 0.024 0.000 2.490 945 E HA 0.028 4.377 4.350 -0.000 0.000 0.209 945 E C 0.886 177.398 176.600 -0.147 0.000 0.971 945 E CA 0.053 56.398 56.400 -0.093 0.000 0.988 945 E CB 0.872 30.450 29.700 -0.203 0.000 1.029 945 E HN 0.040 nan 8.360 nan 0.000 0.496 946 V N 0.023 119.883 119.914 -0.090 0.000 3.570 946 V HA 0.139 4.258 4.120 -0.000 0.000 0.257 946 V C -0.155 175.564 176.094 -0.625 0.000 1.272 946 V CA 0.450 62.553 62.300 -0.329 0.000 1.079 946 V CB 0.422 32.089 31.823 -0.260 0.000 0.829 946 V HN 0.101 nan 8.190 nan 0.000 0.454 947 F N -0.547 119.328 119.950 -0.125 0.000 2.622 947 F HA 0.424 4.951 4.527 -0.000 0.000 0.338 947 F C 1.060 176.877 175.800 0.028 0.000 1.334 947 F CA -0.523 57.420 58.000 -0.095 0.000 1.179 947 F CB 0.613 39.520 39.000 -0.154 0.000 1.471 947 F HN -0.212 nan 8.300 nan 0.000 0.576 948 V N -0.537 119.453 119.914 0.127 0.000 2.453 948 V HA -0.299 3.821 4.120 -0.000 0.000 0.252 948 V C 1.931 178.179 176.094 0.257 0.000 1.068 948 V CA 1.920 64.311 62.300 0.151 0.000 1.070 948 V CB -0.272 31.580 31.823 0.048 0.000 0.664 948 V HN 0.536 nan 8.190 nan 0.000 0.461 949 D N 0.447 120.993 120.400 0.243 0.000 2.190 949 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 949 D C 2.012 178.463 176.300 0.253 0.000 0.992 949 D CA 1.927 56.076 54.000 0.249 0.000 0.854 949 D CB -0.170 40.775 40.800 0.242 0.000 0.936 949 D HN 0.639 nan 8.370 nan 0.000 0.462 950 G N 0.774 109.663 108.800 0.148 0.000 2.194 950 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.236 950 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.236 950 G C 0.266 175.049 174.900 -0.195 0.000 0.987 950 G CA 0.315 45.170 45.100 -0.409 0.000 0.635 950 G HN 0.332 nan 8.290 nan 0.000 0.520 951 E N 0.962 121.218 120.200 0.093 0.000 2.415 951 E HA 0.591 4.941 4.350 -0.000 0.000 0.260 951 E C 1.108 177.871 176.600 0.271 0.000 1.016 951 E CA 0.894 57.373 56.400 0.132 0.000 0.924 951 E CB 0.704 30.532 29.700 0.214 0.000 0.961 951 E HN 0.796 nan 8.360 nan 0.000 0.459 952 A N 5.118 127.970 122.820 0.053 0.000 2.343 952 A HA 0.137 4.457 4.320 -0.000 0.000 0.223 952 A C 0.065 177.688 177.584 0.065 0.000 1.214 952 A CA -0.324 51.751 52.037 0.062 0.000 0.900 952 A CB 0.117 19.081 19.000 -0.059 0.000 0.942 952 A HN 0.525 nan 8.150 nan 0.000 0.507 953 N N 0.376 118.943 118.700 -0.222 0.000 2.439 953 N HA 0.403 5.143 4.740 -0.000 0.000 0.249 953 N C -1.576 173.492 175.510 -0.736 0.000 1.003 953 N CA 0.226 53.089 53.050 -0.311 0.000 0.942 953 N CB 0.617 38.934 38.487 -0.282 0.000 1.115 953 N HN 0.434 nan 8.380 nan 0.000 0.505 954 W N 1.729 122.979 121.300 -0.083 0.000 3.029 954 W HA 0.418 5.077 4.660 -0.000 0.000 0.339 954 W C -2.161 174.369 176.519 0.018 0.000 1.198 954 W CA -1.691 55.633 57.345 -0.034 0.000 1.148 954 W CB 0.599 30.021 29.460 -0.063 0.000 1.451 954 W HN 0.259 nan 8.180 nan 0.000 0.564 955 P HA 0.290 nan 4.420 nan 0.000 0.281 955 P C -0.947 176.467 177.300 0.190 0.000 1.286 955 P CA 0.494 63.727 63.100 0.222 0.000 0.772 955 P CB 0.977 32.835 31.700 0.263 0.000 0.862 956 L N 5.889 127.207 121.223 0.158 0.000 2.434 956 L HA 0.504 4.844 4.340 -0.000 0.000 0.260 956 L C -2.299 174.626 176.870 0.092 0.000 0.983 956 L CA -2.694 52.233 54.840 0.144 0.000 0.820 956 L CB 3.411 45.609 42.059 0.232 0.000 1.361 956 L HN 0.166 nan 8.230 nan 0.000 0.410 957 P HA 0.093 nan 4.420 nan 0.000 0.273 957 P C -0.532 176.739 177.300 -0.049 0.000 1.250 957 P CA 0.014 63.051 63.100 -0.105 0.000 0.793 957 P CB 1.049 32.554 31.700 -0.325 0.000 1.011 958 V N -0.717 119.181 119.914 -0.028 0.000 4.273 958 V HA -0.222 3.898 4.120 -0.000 0.000 0.450 958 V C 0.597 176.767 176.094 0.126 0.000 0.683 958 V CA 0.389 62.725 62.300 0.060 0.000 1.815 958 V CB -1.808 30.095 31.823 0.134 0.000 2.190 958 V HN 0.864 nan 8.190 nan 0.000 0.492 959 N N 4.975 123.705 118.700 0.051 0.000 2.402 959 N HA 0.252 4.992 4.740 -0.000 0.000 0.259 959 N C 0.865 176.386 175.510 0.019 0.000 1.167 959 N CA 0.082 53.152 53.050 0.033 0.000 0.949 959 N CB 0.678 39.151 38.487 -0.023 0.000 1.212 959 N HN 0.688 nan 8.380 nan 0.000 0.493 960 I N 2.688 123.281 120.570 0.039 0.000 2.286 960 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 960 I C 2.480 178.564 176.117 -0.054 0.000 1.104 960 I CA 0.480 61.770 61.300 -0.015 0.000 1.397 960 I CB -0.124 37.865 38.000 -0.019 0.000 1.072 960 I HN 0.560 nan 8.210 nan 0.000 0.417 961 R N 1.462 121.945 120.500 -0.028 0.000 2.112 961 R HA -0.241 4.099 4.340 -0.000 0.000 0.242 961 R C 2.409 178.669 176.300 -0.067 0.000 1.137 961 R CA 1.963 58.041 56.100 -0.035 0.000 0.944 961 R CB -0.223 30.069 30.300 -0.014 0.000 0.857 961 R HN 0.296 nan 8.270 nan 0.000 0.435 962 R N 0.162 120.627 120.500 -0.059 0.000 2.062 962 R HA -0.045 4.295 4.340 -0.000 0.000 0.229 962 R C 2.485 178.755 176.300 -0.049 0.000 1.128 962 R CA 1.380 57.439 56.100 -0.068 0.000 0.960 962 R CB -0.534 29.738 30.300 -0.046 0.000 0.855 962 R HN 0.339 nan 8.270 nan 0.000 0.432 963 I N 1.046 121.586 120.570 -0.049 0.000 2.597 963 I HA -0.307 3.863 4.170 -0.000 0.000 0.262 963 I C 1.653 177.761 176.117 -0.015 0.000 1.194 963 I CA 1.331 62.599 61.300 -0.054 0.000 1.437 963 I CB 0.116 38.050 38.000 -0.110 0.000 1.096 963 I HN 0.233 nan 8.210 nan 0.000 0.451 964 I N -0.507 120.019 120.570 -0.073 0.000 2.729 964 I HA -0.185 3.985 4.170 -0.000 0.000 0.256 964 I C 2.311 178.407 176.117 -0.035 0.000 1.115 964 I CA 0.392 61.626 61.300 -0.110 0.000 1.446 964 I CB -0.265 37.523 38.000 -0.353 0.000 1.176 964 I HN 0.163 nan 8.210 nan 0.000 0.446 965 Q N 0.954 120.703 119.800 -0.085 0.000 2.133 965 Q HA -0.250 4.090 4.340 -0.000 0.000 0.208 965 Q C 1.819 177.809 176.000 -0.018 0.000 0.991 965 Q CA 1.661 57.374 55.803 -0.150 0.000 0.867 965 Q CB -0.295 28.194 28.738 -0.416 0.000 0.911 965 Q HN 0.534 nan 8.270 nan 0.000 0.417 966 N N 0.342 119.092 118.700 0.083 0.000 2.142 966 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 966 N C 1.738 177.364 175.510 0.195 0.000 1.023 966 N CA 1.196 54.362 53.050 0.193 0.000 0.852 966 N CB -0.292 38.374 38.487 0.298 0.000 0.998 966 N HN 0.229 nan 8.380 nan 0.000 0.424 967 A N 2.064 125.074 122.820 0.317 0.000 1.940 967 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 967 A C 2.141 179.784 177.584 0.097 0.000 1.176 967 A CA 1.156 53.314 52.037 0.202 0.000 0.631 967 A CB -0.386 18.764 19.000 0.250 0.000 0.814 967 A HN 0.239 nan 8.150 nan 0.000 0.446 968 Q N -0.082 119.759 119.800 0.068 0.000 1.800 968 Q HA -0.289 4.051 4.340 -0.000 0.000 0.289 968 Q C 2.127 178.149 176.000 0.037 0.000 1.015 968 Q CA 2.202 58.038 55.803 0.054 0.000 0.890 968 Q CB -0.858 27.933 28.738 0.088 0.000 0.958 968 Q HN 0.989 nan 8.270 nan 0.000 0.416 969 Q N -0.129 119.692 119.800 0.036 0.000 2.541 969 Q HA 0.003 4.343 4.340 -0.000 0.000 0.215 969 Q C 1.340 177.136 176.000 -0.341 0.000 0.977 969 Q CA 1.268 57.018 55.803 -0.088 0.000 0.934 969 Q CB -0.169 28.581 28.738 0.019 0.000 0.988 969 Q HN 0.165 nan 8.270 nan 0.000 0.521 970 T N -0.299 114.115 114.554 -0.234 0.000 3.014 970 T HA 0.080 4.430 4.350 -0.000 0.000 0.263 970 T C -0.016 174.261 174.700 -0.704 0.000 1.078 970 T CA 0.640 62.454 62.100 -0.477 0.000 1.135 970 T CB 0.021 68.549 68.868 -0.567 0.000 0.895 970 T HN 0.372 nan 8.240 nan 0.000 0.480 971 F N 0.287 119.984 119.950 -0.422 0.000 2.683 971 F HA 0.338 4.865 4.527 -0.000 0.000 0.306 971 F C 0.247 175.968 175.800 -0.130 0.000 1.102 971 F CA -1.132 56.711 58.000 -0.262 0.000 1.244 971 F CB -0.316 38.557 39.000 -0.211 0.000 1.029 971 F HN 0.113 nan 8.300 nan 0.000 0.545 972 H N 1.102 120.210 119.070 0.063 0.000 2.514 972 H HA -0.162 4.394 4.556 -0.000 0.000 0.318 972 H C 0.300 175.639 175.328 0.018 0.000 0.994 972 H CA 0.393 56.457 56.048 0.027 0.000 1.056 972 H CB -1.089 28.674 29.762 0.002 0.000 1.621 972 H HN 0.293 nan 8.280 nan 0.000 0.360 973 I N 3.656 124.257 120.570 0.051 0.000 2.352 973 I HA -0.005 4.165 4.170 -0.000 0.000 0.290 973 I C 0.845 176.881 176.117 -0.136 0.000 1.036 973 I CA -0.227 61.050 61.300 -0.039 0.000 1.336 973 I CB 0.898 38.845 38.000 -0.089 0.000 1.407 973 I HN 0.319 nan 8.210 nan 0.000 0.497 974 D N 6.434 126.779 120.400 -0.092 0.000 2.280 974 D HA 0.056 4.696 4.640 -0.000 0.000 0.243 974 D C 0.704 176.942 176.300 -0.103 0.000 1.129 974 D CA -0.391 53.563 54.000 -0.077 0.000 0.848 974 D CB 0.923 41.724 40.800 0.000 0.000 1.107 974 D HN 0.499 nan 8.370 nan 0.000 0.471 975 H N 1.621 120.717 119.070 0.043 0.000 2.568 975 H HA -0.084 4.472 4.556 -0.000 0.000 0.281 975 H C 1.623 176.962 175.328 0.018 0.000 1.028 975 H CA 1.300 57.367 56.048 0.030 0.000 1.199 975 H CB 0.022 29.803 29.762 0.030 0.000 1.352 975 H HN 0.664 nan 8.280 nan 0.000 0.605 976 T N -1.542 113.068 114.554 0.094 0.000 2.824 976 T HA -0.001 4.349 4.350 -0.000 0.000 0.238 976 T C 1.117 175.838 174.700 0.035 0.000 1.067 976 T CA -0.250 61.886 62.100 0.060 0.000 1.286 976 T CB 0.263 69.158 68.868 0.045 0.000 0.980 976 T HN 0.032 nan 8.240 nan 0.000 0.414 977 K N 3.064 123.477 120.400 0.021 0.000 2.455 977 K HA 0.152 4.472 4.320 -0.000 0.000 0.269 977 K C -2.241 174.363 176.600 0.007 0.000 0.972 977 K CA -0.989 55.305 56.287 0.011 0.000 0.938 977 K CB -0.054 32.450 32.500 0.007 0.000 0.931 977 K HN 0.422 nan 8.250 nan 0.000 0.507 978 P HA 0.011 nan 4.420 nan 0.000 0.278 978 P C -0.305 176.988 177.300 -0.012 0.000 1.238 978 P CA -0.293 62.804 63.100 -0.005 0.000 0.794 978 P CB 1.536 33.231 31.700 -0.008 0.000 0.955 979 S N 0.864 116.553 115.700 -0.018 0.000 2.632 979 S HA 0.078 4.547 4.470 -0.000 0.000 0.254 979 S C 0.429 175.009 174.600 -0.034 0.000 1.291 979 S CA 0.228 58.411 58.200 -0.029 0.000 0.974 979 S CB -0.253 62.925 63.200 -0.037 0.000 1.016 979 S HN 0.687 nan 8.310 nan 0.000 0.579 980 D N 0.543 120.915 120.400 -0.047 0.000 3.118 980 D HA 0.165 4.805 4.640 -0.000 0.000 0.352 980 D C -0.881 175.377 176.300 -0.070 0.000 1.498 980 D CA -0.195 53.776 54.000 -0.047 0.000 0.759 980 D CB -0.930 39.852 40.800 -0.030 0.000 1.251 980 D HN 0.312 nan 8.370 nan 0.000 0.504 981 L N 1.014 122.176 121.223 -0.102 0.000 2.282 981 L HA 0.375 4.714 4.340 -0.000 0.000 0.288 981 L C 0.685 177.475 176.870 -0.133 0.000 1.033 981 L CA -0.434 54.311 54.840 -0.158 0.000 0.807 981 L CB 1.791 43.689 42.059 -0.268 0.000 1.209 981 L HN -0.166 nan 8.230 nan 0.000 0.423 982 T N 2.559 117.042 114.554 -0.118 0.000 2.856 982 T HA 0.162 4.512 4.350 -0.000 0.000 0.306 982 T C 1.673 176.308 174.700 -0.109 0.000 1.062 982 T CA -0.174 61.873 62.100 -0.088 0.000 1.083 982 T CB 1.068 69.896 68.868 -0.067 0.000 0.984 982 T HN 0.428 nan 8.240 nan 0.000 0.542 983 I N 0.862 121.384 120.570 -0.080 0.000 2.315 983 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 983 I C 2.616 178.688 176.117 -0.075 0.000 1.117 983 I CA 1.245 62.498 61.300 -0.078 0.000 1.404 983 I CB -0.263 37.707 38.000 -0.050 0.000 1.071 983 I HN 0.667 nan 8.210 nan 0.000 0.419 984 K N 0.580 120.944 120.400 -0.059 0.000 2.057 984 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 984 K C 1.712 178.276 176.600 -0.061 0.000 1.049 984 K CA 1.554 57.814 56.287 -0.045 0.000 0.931 984 K CB -0.198 32.282 32.500 -0.032 0.000 0.714 984 K HN 0.229 nan 8.250 nan 0.000 0.440 985 D N 1.001 121.346 120.400 -0.092 0.000 2.127 985 D HA -0.198 4.442 4.640 -0.000 0.000 0.190 985 D C 1.866 178.056 176.300 -0.183 0.000 1.000 985 D CA 1.241 55.166 54.000 -0.125 0.000 0.839 985 D CB -0.235 40.458 40.800 -0.178 0.000 0.955 985 D HN 0.150 nan 8.370 nan 0.000 0.446 986 I N 0.261 120.657 120.570 -0.290 0.000 2.138 986 I HA -0.241 3.929 4.170 -0.000 0.000 0.225 986 I C 2.485 178.578 176.117 -0.040 0.000 1.057 986 I CA 0.579 61.672 61.300 -0.344 0.000 1.343 986 I CB -0.692 37.111 38.000 -0.330 0.000 1.118 986 I HN -0.126 nan 8.210 nan 0.000 0.395 987 V N 1.148 121.048 119.914 -0.023 0.000 2.636 987 V HA -0.284 3.836 4.120 -0.000 0.000 0.258 987 V C 2.232 178.343 176.094 0.028 0.000 1.092 987 V CA 1.668 63.981 62.300 0.023 0.000 1.110 987 V CB -0.714 31.116 31.823 0.012 0.000 0.685 987 V HN 0.404 nan 8.190 nan 0.000 0.481 988 L N -0.267 120.966 121.223 0.016 0.000 2.307 988 L HA 0.121 4.461 4.340 -0.000 0.000 0.211 988 L C 2.377 179.273 176.870 0.042 0.000 1.099 988 L CA 1.056 55.908 54.840 0.020 0.000 0.816 988 L CB -0.398 41.664 42.059 0.006 0.000 0.952 988 L HN 0.443 nan 8.230 nan 0.000 0.455 989 G N -1.053 107.797 108.800 0.083 0.000 2.426 989 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.214 989 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.214 989 G C 1.479 176.450 174.900 0.119 0.000 1.156 989 G CA 0.574 45.754 45.100 0.133 0.000 0.802 989 G HN 0.166 nan 8.290 nan 0.000 0.534 990 V N 0.757 120.758 119.914 0.146 0.000 2.343 990 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 990 V C 2.672 178.773 176.094 0.012 0.000 1.051 990 V CA 2.131 64.478 62.300 0.079 0.000 1.036 990 V CB -0.403 31.480 31.823 0.099 0.000 0.654 990 V HN 0.308 nan 8.190 nan 0.000 0.451 991 K N -0.443 119.967 120.400 0.017 0.000 2.097 991 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 991 K C 1.952 178.543 176.600 -0.015 0.000 1.050 991 K CA 1.424 57.708 56.287 -0.006 0.000 0.938 991 K CB -0.210 32.291 32.500 0.001 0.000 0.718 991 K HN 0.423 nan 8.250 nan 0.000 0.442 992 D N 0.698 121.098 120.400 -0.001 0.000 2.310 992 D HA -0.127 4.513 4.640 -0.000 0.000 0.212 992 D C 1.742 178.025 176.300 -0.028 0.000 0.965 992 D CA 0.509 54.505 54.000 -0.008 0.000 0.879 992 D CB 0.256 41.061 40.800 0.009 0.000 0.921 992 D HN 0.099 nan 8.370 nan 0.000 0.510 993 L N 1.111 122.310 121.223 -0.040 0.000 2.034 993 L HA -0.122 4.218 4.340 -0.000 0.000 0.203 993 L C 2.187 178.997 176.870 -0.101 0.000 1.074 993 L CA 1.576 56.371 54.840 -0.075 0.000 0.748 993 L CB -0.665 41.338 42.059 -0.094 0.000 0.905 993 L HN -0.108 nan 8.230 nan 0.000 0.439 994 Q N -0.376 119.364 119.800 -0.099 0.000 2.242 994 Q HA -0.262 4.078 4.340 -0.000 0.000 0.211 994 Q C 1.913 177.850 176.000 -0.105 0.000 0.992 994 Q CA 1.728 57.462 55.803 -0.115 0.000 0.889 994 Q CB -0.373 28.311 28.738 -0.090 0.000 0.913 994 Q HN 0.567 nan 8.270 nan 0.000 0.422 995 E N 0.363 120.519 120.200 -0.075 0.000 2.204 995 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 995 E C 1.272 177.834 176.600 -0.064 0.000 0.990 995 E CA 0.698 57.063 56.400 -0.057 0.000 0.821 995 E CB -0.055 29.622 29.700 -0.037 0.000 0.750 995 E HN 0.408 nan 8.360 nan 0.000 0.477 996 N N 0.132 118.782 118.700 -0.085 0.000 2.325 996 N HA 0.039 4.779 4.740 -0.000 0.000 0.182 996 N C 0.724 176.164 175.510 -0.118 0.000 1.088 996 N CA 0.039 53.042 53.050 -0.078 0.000 0.879 996 N CB 0.501 38.950 38.487 -0.063 0.000 0.983 996 N HN 0.161 nan 8.380 nan 0.000 0.471 997 L N 1.986 123.062 121.223 -0.245 0.000 2.858 997 L HA 0.129 4.469 4.340 -0.000 0.000 0.243 997 L C -0.288 176.474 176.870 -0.180 0.000 1.416 997 L CA -0.085 54.426 54.840 -0.548 0.000 1.182 997 L CB -1.208 40.226 42.059 -1.042 0.000 1.564 997 L HN -0.126 nan 8.230 nan 0.000 0.436 998 L N 0.166 121.401 121.223 0.020 0.000 2.410 998 L HA 0.039 4.379 4.340 -0.000 0.000 0.273 998 L C 1.164 178.149 176.870 0.193 0.000 1.144 998 L CA 0.370 55.265 54.840 0.091 0.000 0.863 998 L CB 1.256 43.340 42.059 0.041 0.000 1.140 998 L HN 0.050 nan 8.230 nan 0.000 0.463 999 V N 3.693 123.708 119.914 0.168 0.000 2.690 999 V HA 0.173 4.293 4.120 -0.000 0.000 0.240 999 V C 0.648 176.778 176.094 0.060 0.000 1.078 999 V CA 0.473 62.842 62.300 0.114 0.000 1.102 999 V CB 0.222 32.112 31.823 0.112 0.000 0.800 999 V HN 0.459 nan 8.190 nan 0.000 0.479 1000 L N -0.761 120.498 121.223 0.060 0.000 2.334 1000 L HA 0.471 4.811 4.340 -0.000 0.000 0.270 1000 L C 1.039 177.930 176.870 0.036 0.000 1.018 1000 L CA -0.260 54.609 54.840 0.048 0.000 0.811 1000 L CB 2.028 44.117 42.059 0.049 0.000 1.271 1000 L HN -0.027 nan 8.230 nan 0.000 0.443 1001 R N 0.551 121.069 120.500 0.030 0.000 2.167 1001 R HA 0.224 4.564 4.340 -0.000 0.000 0.195 1001 R C 0.465 176.774 176.300 0.014 0.000 1.027 1001 R CA 0.347 56.458 56.100 0.018 0.000 1.114 1001 R CB 0.116 30.423 30.300 0.010 0.000 1.075 1001 R HN 0.845 nan 8.270 nan 0.000 0.538 1002 G N 1.960 110.771 108.800 0.018 0.000 2.969 1002 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.303 1002 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.303 1002 G C -0.216 174.689 174.900 0.007 0.000 0.230 1002 G CA 0.373 45.481 45.100 0.014 0.000 1.225 1002 G HN 0.159 nan 8.290 nan 0.000 0.295 1003 K N 1.186 121.590 120.400 0.006 0.000 2.969 1003 K HA 0.283 4.603 4.320 -0.000 0.000 0.222 1003 K C 0.655 177.256 176.600 0.002 0.000 1.172 1003 K CA 0.089 56.377 56.287 0.002 0.000 1.192 1003 K CB -0.338 32.162 32.500 0.001 0.000 1.111 1003 K HN 0.907 nan 8.250 nan 0.000 0.457 1004 N N -3.199 115.502 118.700 0.002 0.000 3.449 1004 N HA 0.102 4.842 4.740 -0.000 0.000 0.312 1004 N C 0.312 175.821 175.510 -0.002 0.000 1.582 1004 N CA -0.730 52.320 53.050 -0.000 0.000 0.850 1004 N CB 0.592 39.080 38.487 0.000 0.000 1.822 1004 N HN -0.125 nan 8.380 nan 0.000 0.577 1005 E N 0.115 120.312 120.200 -0.005 0.000 2.030 1005 E HA 0.241 4.591 4.350 -0.000 0.000 0.189 1005 E C 1.435 178.027 176.600 -0.013 0.000 0.974 1005 E CA 1.107 57.502 56.400 -0.008 0.000 0.807 1005 E CB -0.296 29.399 29.700 -0.009 0.000 0.771 1005 E HN 0.578 nan 8.360 nan 0.000 0.451 1006 I N 1.078 121.637 120.570 -0.018 0.000 2.143 1006 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 1006 I C 2.100 178.199 176.117 -0.030 0.000 1.068 1006 I CA 1.085 62.367 61.300 -0.031 0.000 1.326 1006 I CB -0.387 37.593 38.000 -0.034 0.000 1.028 1006 I HN 0.288 nan 8.210 nan 0.000 0.412 1007 I N -0.068 120.494 120.570 -0.014 0.000 2.130 1007 I HA -0.242 3.928 4.170 -0.000 0.000 0.234 1007 I C 2.430 178.548 176.117 0.000 0.000 1.067 1007 I CA 1.382 62.681 61.300 -0.002 0.000 1.339 1007 I CB -1.372 36.634 38.000 0.010 0.000 1.073 1007 I HN 0.341 nan 8.210 nan 0.000 0.405 1008 Q N 0.728 120.529 119.800 0.001 0.000 2.522 1008 Q HA -0.203 4.137 4.340 -0.000 0.000 0.216 1008 Q C 1.705 177.704 176.000 -0.001 0.000 0.986 1008 Q CA 0.929 56.733 55.803 0.001 0.000 0.901 1008 Q CB -0.461 28.276 28.738 -0.001 0.000 0.954 1008 Q HN 0.490 nan 8.270 nan 0.000 0.502 1009 N N -0.500 118.196 118.700 -0.007 0.000 2.387 1009 N HA 0.023 4.763 4.740 -0.000 0.000 0.176 1009 N C 1.411 176.916 175.510 -0.008 0.000 1.022 1009 N CA 0.847 53.891 53.050 -0.009 0.000 0.883 1009 N CB 0.229 38.706 38.487 -0.017 0.000 1.019 1009 N HN 0.158 nan 8.380 nan 0.000 0.435 1010 A N 0.901 123.714 122.820 -0.012 0.000 1.972 1010 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 1010 A C 2.106 179.697 177.584 0.013 0.000 1.169 1010 A CA 1.470 53.502 52.037 -0.009 0.000 0.635 1010 A CB -0.572 18.421 19.000 -0.012 0.000 0.810 1010 A HN 0.329 nan 8.150 nan 0.000 0.446 1011 Q N 0.540 120.349 119.800 0.016 0.000 1.998 1011 Q HA -0.232 4.108 4.340 -0.000 0.000 0.209 1011 Q C 2.101 178.116 176.000 0.025 0.000 1.002 1011 Q CA 2.509 58.327 55.803 0.026 0.000 0.858 1011 Q CB -0.474 28.275 28.738 0.018 0.000 0.932 1011 Q HN 0.652 nan 8.270 nan 0.000 0.416 1012 R N 0.308 120.815 120.500 0.013 0.000 2.133 1012 R HA -0.171 4.169 4.340 -0.000 0.000 0.247 1012 R C 2.011 178.321 176.300 0.017 0.000 1.151 1012 R CA 1.412 57.517 56.100 0.009 0.000 0.971 1012 R CB -0.459 29.844 30.300 0.005 0.000 0.866 1012 R HN 0.507 nan 8.270 nan 0.000 0.447 1013 D N 0.718 121.131 120.400 0.022 0.000 2.081 1013 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 1013 D C 1.856 178.176 176.300 0.033 0.000 0.986 1013 D CA 1.597 55.615 54.000 0.030 0.000 0.837 1013 D CB -0.329 40.482 40.800 0.019 0.000 0.985 1013 D HN 0.215 nan 8.370 nan 0.000 0.448 1014 A N 0.642 123.484 122.820 0.036 0.000 2.139 1014 A HA -0.116 4.204 4.320 -0.000 0.000 0.221 1014 A C 2.343 179.970 177.584 0.072 0.000 1.159 1014 A CA 1.150 53.213 52.037 0.043 0.000 0.662 1014 A CB -0.315 18.715 19.000 0.049 0.000 0.796 1014 A HN 0.178 nan 8.150 nan 0.000 0.463 1015 V N -1.635 118.325 119.914 0.077 0.000 2.922 1015 V HA -0.109 4.011 4.120 -0.000 0.000 0.242 1015 V C 2.377 178.518 176.094 0.078 0.000 1.094 1015 V CA 1.542 63.913 62.300 0.118 0.000 1.106 1015 V CB -1.066 30.807 31.823 0.083 0.000 0.799 1015 V HN 0.545 nan 8.190 nan 0.000 0.474 1016 T N 1.830 116.384 114.554 0.000 0.000 2.515 1016 T HA -0.394 3.956 4.350 -0.000 0.000 0.246 1016 T C 1.832 176.427 174.700 -0.175 0.000 1.268 1016 T CA 2.622 64.658 62.100 -0.106 0.000 1.136 1016 T CB -0.747 68.054 68.868 -0.110 0.000 0.847 1016 T HN 0.286 nan 8.240 nan 0.000 0.442 1017 L N 0.582 121.738 121.223 -0.112 0.000 1.971 1017 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 1017 L C 2.119 178.967 176.870 -0.037 0.000 1.072 1017 L CA 1.846 56.622 54.840 -0.106 0.000 0.758 1017 L CB -1.494 40.561 42.059 -0.007 0.000 0.889 1017 L HN 0.319 nan 8.230 nan 0.000 0.433 1018 F N 0.160 120.071 119.950 -0.065 0.000 2.063 1018 F HA -0.327 4.200 4.527 -0.000 0.000 0.298 1018 F C 2.657 178.412 175.800 -0.074 0.000 1.109 1018 F CA 1.955 59.939 58.000 -0.027 0.000 1.212 1018 F CB -1.110 37.931 39.000 0.067 0.000 0.973 1018 F HN 0.273 nan 8.300 nan 0.000 0.480 1019 C N 0.079 119.253 119.300 -0.210 0.000 2.385 1019 C HA -0.310 4.150 4.460 -0.000 0.000 0.275 1019 C C 3.070 177.864 174.990 -0.326 0.000 1.207 1019 C CA 1.222 60.046 59.018 -0.322 0.000 1.760 1019 C CB -1.878 25.755 27.740 -0.178 0.000 2.051 1019 C HN 0.741 nan 8.230 nan 0.000 0.467 1020 C N 0.406 119.538 119.300 -0.280 0.000 2.391 1020 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 1020 C C 2.517 177.374 174.990 -0.221 0.000 1.217 1020 C CA 1.492 60.359 59.018 -0.252 0.000 1.766 1020 C CB -1.752 25.812 27.740 -0.292 0.000 2.046 1020 C HN 0.712 nan 8.230 nan 0.000 0.475 1021 L N 0.224 121.288 121.223 -0.265 0.000 2.141 1021 L HA -0.003 4.337 4.340 -0.000 0.000 0.209 1021 L C 2.171 178.865 176.870 -0.292 0.000 1.094 1021 L CA 1.544 56.244 54.840 -0.233 0.000 0.763 1021 L CB -0.714 41.216 42.059 -0.216 0.000 0.908 1021 L HN 0.244 nan 8.230 nan 0.000 0.437 1022 L N -0.025 120.914 121.223 -0.475 0.000 1.988 1022 L HA -0.117 4.222 4.340 -0.000 0.000 0.207 1022 L C 2.711 179.463 176.870 -0.197 0.000 1.071 1022 L CA 1.746 56.329 54.840 -0.428 0.000 0.744 1022 L CB -0.659 41.060 42.059 -0.567 0.000 0.893 1022 L HN 0.235 nan 8.230 nan 0.000 0.433 1023 R N -1.027 119.379 120.500 -0.158 0.000 2.127 1023 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 1023 R C 2.498 178.813 176.300 0.025 0.000 1.134 1023 R CA 1.283 57.349 56.100 -0.056 0.000 0.975 1023 R CB -0.738 29.524 30.300 -0.064 0.000 0.865 1023 R HN 0.492 nan 8.270 nan 0.000 0.447 1024 S N 0.644 116.349 115.700 0.008 0.000 2.359 1024 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 1024 S C 1.755 176.468 174.600 0.188 0.000 1.035 1024 S CA 1.112 59.392 58.200 0.133 0.000 1.018 1024 S CB 0.070 63.296 63.200 0.044 0.000 0.876 1024 S HN 0.201 nan 8.310 nan 0.000 0.448 1025 R N 0.406 120.955 120.500 0.082 0.000 2.280 1025 R HA 0.325 4.665 4.340 -0.000 0.000 0.195 1025 R C 0.608 177.006 176.300 0.164 0.000 0.935 1025 R CA 0.241 56.418 56.100 0.128 0.000 1.033 1025 R CB -0.496 29.837 30.300 0.054 0.000 0.964 1025 R HN 0.445 nan 8.270 nan 0.000 0.489 1026 L N 0.875 122.160 121.223 0.103 0.000 3.209 1026 L HA 0.439 4.779 4.340 -0.000 0.000 0.279 1026 L C -0.037 176.920 176.870 0.145 0.000 1.301 1026 L CA -0.552 54.373 54.840 0.142 0.000 1.004 1026 L CB 0.846 42.947 42.059 0.071 0.000 1.402 1026 L HN -0.125 nan 8.230 nan 0.000 0.577 1027 A N -0.433 122.458 122.820 0.119 0.000 2.328 1027 A HA 0.429 4.748 4.320 -0.000 0.000 0.284 1027 A C 1.413 179.019 177.584 0.037 0.000 1.160 1027 A CA -0.157 51.934 52.037 0.090 0.000 0.818 1027 A CB 0.547 19.632 19.000 0.142 0.000 1.087 1027 A HN 0.369 nan 8.150 nan 0.000 0.504 1028 T N 2.047 116.622 114.554 0.034 0.000 2.602 1028 T HA -0.277 4.073 4.350 -0.000 0.000 0.264 1028 T C 2.124 176.797 174.700 -0.045 0.000 1.085 1028 T CA 2.043 64.141 62.100 -0.004 0.000 1.164 1028 T CB -0.293 68.569 68.868 -0.009 0.000 0.860 1028 T HN 0.666 nan 8.240 nan 0.000 0.442 1029 R N 0.658 121.110 120.500 -0.081 0.000 2.096 1029 R HA -0.044 4.296 4.340 -0.000 0.000 0.240 1029 R C 2.673 178.854 176.300 -0.199 0.000 1.139 1029 R CA 1.647 57.663 56.100 -0.140 0.000 0.952 1029 R CB -0.459 29.734 30.300 -0.179 0.000 0.854 1029 R HN 0.439 nan 8.270 nan 0.000 0.436 1030 R N -0.411 119.931 120.500 -0.263 0.000 2.082 1030 R HA -0.100 4.240 4.340 -0.000 0.000 0.228 1030 R C 2.311 178.453 176.300 -0.263 0.000 1.140 1030 R CA 1.707 57.578 56.100 -0.382 0.000 0.920 1030 R CB -0.655 29.425 30.300 -0.366 0.000 0.828 1030 R HN 0.011 nan 8.270 nan 0.000 0.430 1031 V N 1.248 121.212 119.914 0.083 0.000 2.418 1031 V HA -0.294 3.826 4.120 -0.000 0.000 0.258 1031 V C 1.971 178.175 176.094 0.183 0.000 1.088 1031 V CA 1.887 64.387 62.300 0.334 0.000 1.091 1031 V CB -0.509 31.480 31.823 0.277 0.000 0.669 1031 V HN 0.322 nan 8.190 nan 0.000 0.461 1032 L N -1.827 119.409 121.223 0.023 0.000 2.537 1032 L HA 0.128 4.468 4.340 -0.000 0.000 0.224 1032 L C 2.279 179.132 176.870 -0.029 0.000 1.065 1032 L CA 0.805 55.643 54.840 -0.003 0.000 0.860 1032 L CB -0.190 41.848 42.059 -0.036 0.000 1.086 1032 L HN 0.232 nan 8.230 nan 0.000 0.482 1033 Q N 0.129 119.875 119.800 -0.089 0.000 2.349 1033 Q HA -0.025 4.315 4.340 -0.000 0.000 0.209 1033 Q C 1.699 177.622 176.000 -0.129 0.000 0.920 1033 Q CA 0.650 56.393 55.803 -0.100 0.000 0.901 1033 Q CB 0.538 29.199 28.738 -0.129 0.000 1.021 1033 Q HN 0.453 nan 8.270 nan 0.000 0.519 1034 E N -0.390 119.654 120.200 -0.260 0.000 2.057 1034 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 1034 E C -0.450 176.046 176.600 -0.175 0.000 0.969 1034 E CA 0.507 56.704 56.400 -0.339 0.000 0.812 1034 E CB 0.314 29.631 29.700 -0.639 0.000 0.777 1034 E HN 0.334 nan 8.360 nan 0.000 0.455 1035 Y N 0.238 120.559 120.300 0.035 0.000 2.919 1035 Y HA 0.408 4.958 4.550 -0.000 0.000 0.341 1035 Y C -0.398 175.527 175.900 0.041 0.000 1.045 1035 Y CA -1.149 56.990 58.100 0.065 0.000 1.218 1035 Y CB 0.110 38.594 38.460 0.040 0.000 1.137 1035 Y HN -0.286 nan 8.280 nan 0.000 0.577 1036 R N 3.030 123.638 120.500 0.180 0.000 3.971 1036 R HA -0.028 4.312 4.340 -0.000 0.000 0.168 1036 R C -0.035 176.294 176.300 0.047 0.000 1.468 1036 R CA 0.280 56.430 56.100 0.084 0.000 1.078 1036 R CB -0.772 29.548 30.300 0.034 0.000 1.156 1036 R HN 0.719 nan 8.270 nan 0.000 0.572 1037 L N 0.799 122.077 121.223 0.092 0.000 2.464 1037 L HA 0.106 4.445 4.340 -0.000 0.000 0.264 1037 L C 1.467 178.332 176.870 -0.009 0.000 1.199 1037 L CA 0.354 55.217 54.840 0.038 0.000 0.818 1037 L CB 0.562 42.708 42.059 0.145 0.000 1.102 1037 L HN 0.361 nan 8.230 nan 0.000 0.473 1038 T N -1.748 112.768 114.554 -0.063 0.000 2.948 1038 T HA 0.236 4.586 4.350 -0.000 0.000 0.285 1038 T C 0.774 175.450 174.700 -0.039 0.000 1.019 1038 T CA -0.755 61.309 62.100 -0.060 0.000 1.013 1038 T CB 1.956 70.782 68.868 -0.070 0.000 1.117 1038 T HN 0.617 nan 8.240 nan 0.000 0.533 1039 K N 0.422 120.802 120.400 -0.033 0.000 2.044 1039 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 1039 K C 2.322 178.949 176.600 0.044 0.000 1.049 1039 K CA 2.218 58.504 56.287 -0.001 0.000 0.927 1039 K CB -0.494 32.000 32.500 -0.010 0.000 0.713 1039 K HN 0.742 nan 8.250 nan 0.000 0.443 1040 Q N -0.270 119.525 119.800 -0.008 0.000 2.002 1040 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 1040 Q C 2.037 177.910 176.000 -0.211 0.000 0.988 1040 Q CA 2.066 57.858 55.803 -0.019 0.000 0.843 1040 Q CB -0.427 28.336 28.738 0.041 0.000 0.908 1040 Q HN 0.465 nan 8.270 nan 0.000 0.420 1041 A N 0.189 122.670 122.820 -0.565 0.000 1.917 1041 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 1041 A C 1.880 179.350 177.584 -0.191 0.000 1.182 1041 A CA 1.533 53.050 52.037 -0.867 0.000 0.633 1041 A CB -1.058 17.515 19.000 -0.712 0.000 0.819 1041 A HN 0.610 nan 8.150 nan 0.000 0.448 1042 F N 1.031 120.877 119.950 -0.173 0.000 2.051 1042 F HA -0.181 4.346 4.527 -0.000 0.000 0.296 1042 F C 1.940 177.738 175.800 -0.003 0.000 1.122 1042 F CA 2.228 60.187 58.000 -0.068 0.000 1.201 1042 F CB -0.263 38.702 39.000 -0.058 0.000 0.978 1042 F HN 0.242 nan 8.300 nan 0.000 0.472 1043 D N -1.024 119.520 120.400 0.239 0.000 2.315 1043 D HA -0.249 4.391 4.640 -0.000 0.000 0.211 1043 D C 1.635 178.008 176.300 0.121 0.000 0.977 1043 D CA 1.206 55.301 54.000 0.158 0.000 0.894 1043 D CB -0.405 40.497 40.800 0.170 0.000 0.910 1043 D HN 0.495 nan 8.370 nan 0.000 0.490 1044 W N 0.856 122.106 121.300 -0.083 0.000 2.560 1044 W HA -0.096 4.564 4.660 -0.000 0.000 0.303 1044 W C 2.239 178.692 176.519 -0.111 0.000 1.151 1044 W CA 0.480 57.802 57.345 -0.039 0.000 1.426 1044 W CB -0.561 28.926 29.460 0.045 0.000 1.135 1044 W HN -0.298 nan 8.180 nan 0.000 0.522 1045 V N 1.958 121.886 119.914 0.024 0.000 2.370 1045 V HA -0.377 3.743 4.120 -0.000 0.000 0.252 1045 V C 2.300 178.181 176.094 -0.355 0.000 1.068 1045 V CA 2.040 64.200 62.300 -0.234 0.000 1.061 1045 V CB -1.296 30.385 31.823 -0.237 0.000 0.656 1045 V HN 0.272 nan 8.190 nan 0.000 0.455 1046 L N -0.031 120.964 121.223 -0.379 0.000 1.976 1046 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 1046 L C 2.791 179.521 176.870 -0.234 0.000 1.071 1046 L CA 2.039 56.683 54.840 -0.327 0.000 0.746 1046 L CB -0.919 40.953 42.059 -0.311 0.000 0.890 1046 L HN 0.457 nan 8.230 nan 0.000 0.432 1047 S N 0.076 115.656 115.700 -0.200 0.000 2.400 1047 S HA -0.254 4.216 4.470 -0.000 0.000 0.234 1047 S C 1.796 176.252 174.600 -0.240 0.000 1.049 1047 S CA 1.950 60.044 58.200 -0.177 0.000 1.039 1047 S CB -0.312 62.807 63.200 -0.135 0.000 0.856 1047 S HN 0.419 nan 8.310 nan 0.000 0.465 1048 N N 0.852 119.320 118.700 -0.387 0.000 2.109 1048 N HA 0.053 4.793 4.740 -0.000 0.000 0.188 1048 N C 1.914 177.293 175.510 -0.218 0.000 1.034 1048 N CA 1.540 54.354 53.050 -0.393 0.000 0.846 1048 N CB -0.450 37.642 38.487 -0.658 0.000 1.010 1048 N HN 0.459 nan 8.380 nan 0.000 0.425 1049 I N 1.713 122.170 120.570 -0.187 0.000 2.151 1049 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 1049 I C 2.584 178.697 176.117 -0.006 0.000 1.080 1049 I CA 1.358 62.625 61.300 -0.056 0.000 1.339 1049 I CB -0.391 37.586 38.000 -0.038 0.000 1.039 1049 I HN 0.289 nan 8.210 nan 0.000 0.409 1050 E N 1.591 121.752 120.200 -0.065 0.000 2.049 1050 E HA -0.281 4.069 4.350 -0.000 0.000 0.198 1050 E C 2.193 178.801 176.600 0.012 0.000 1.007 1050 E CA 1.906 58.277 56.400 -0.048 0.000 0.809 1050 E CB -0.184 29.470 29.700 -0.077 0.000 0.749 1050 E HN 0.449 nan 8.360 nan 0.000 0.450 1051 A N 0.355 123.153 122.820 -0.036 0.000 1.898 1051 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 1051 A C 2.214 179.788 177.584 -0.016 0.000 1.181 1051 A CA 1.692 53.712 52.037 -0.029 0.000 0.620 1051 A CB -0.708 18.253 19.000 -0.066 0.000 0.819 1051 A HN 0.451 nan 8.150 nan 0.000 0.442 1052 Q N -1.797 117.988 119.800 -0.026 0.000 2.124 1052 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 1052 Q C 1.731 177.720 176.000 -0.019 0.000 0.977 1052 Q CA 1.788 57.577 55.803 -0.023 0.000 0.850 1052 Q CB -0.260 28.459 28.738 -0.030 0.000 0.901 1052 Q HN 0.728 nan 8.270 nan 0.000 0.429 1053 F N 0.271 120.133 119.950 -0.148 0.000 2.039 1053 F HA -0.172 4.355 4.527 -0.000 0.000 0.294 1053 F C 1.596 177.281 175.800 -0.191 0.000 1.130 1053 F CA 1.324 59.196 58.000 -0.214 0.000 1.189 1053 F CB -0.227 38.639 39.000 -0.223 0.000 0.983 1053 F HN 0.004 nan 8.300 nan 0.000 0.471 1054 L N 0.338 121.655 121.223 0.157 0.000 2.270 1054 L HA -0.271 4.069 4.340 -0.000 0.000 0.217 1054 L C 2.474 179.246 176.870 -0.163 0.000 1.107 1054 L CA 1.305 56.154 54.840 0.014 0.000 0.772 1054 L CB -0.663 41.425 42.059 0.050 0.000 0.902 1054 L HN 0.211 nan 8.230 nan 0.000 0.439 1055 R N -1.185 119.208 120.500 -0.178 0.000 2.127 1055 R HA 0.011 4.351 4.340 -0.000 0.000 0.217 1055 R C 2.278 178.297 176.300 -0.469 0.000 1.074 1055 R CA 0.908 56.875 56.100 -0.223 0.000 0.991 1055 R CB -0.112 30.113 30.300 -0.125 0.000 0.895 1055 R HN 0.215 nan 8.270 nan 0.000 0.450 1056 S N 0.755 116.145 115.700 -0.517 0.000 2.515 1056 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 1056 S C 0.869 175.165 174.600 -0.508 0.000 0.987 1056 S CA 0.137 57.971 58.200 -0.611 0.000 0.936 1056 S CB 0.064 63.000 63.200 -0.441 0.000 0.766 1056 S HN -0.023 nan 8.310 nan 0.000 0.528 1057 V N 2.403 122.027 119.914 -0.483 0.000 2.999 1057 V HA 0.052 4.172 4.120 -0.000 0.000 0.307 1057 V C 0.730 176.713 176.094 -0.184 0.000 1.084 1057 V CA -0.320 61.773 62.300 -0.345 0.000 1.155 1057 V CB 0.532 32.177 31.823 -0.297 0.000 0.975 1057 V HN 0.066 nan 8.190 nan 0.000 0.490 1058 V N 3.521 123.397 119.914 -0.063 0.000 2.881 1058 V HA 0.115 4.235 4.120 -0.000 0.000 0.303 1058 V C 0.390 176.504 176.094 0.033 0.000 1.070 1058 V CA -0.380 61.965 62.300 0.075 0.000 1.074 1058 V CB 0.456 32.390 31.823 0.184 0.000 1.012 1058 V HN 0.784 nan 8.190 nan 0.000 0.482 1059 H N 3.721 122.776 119.070 -0.024 0.000 2.652 1059 H HA 0.232 4.788 4.556 -0.000 0.000 0.298 1059 H C -2.311 172.986 175.328 -0.051 0.000 1.076 1059 H CA -1.859 54.180 56.048 -0.016 0.000 1.360 1059 H CB 1.382 31.141 29.762 -0.005 0.000 1.421 1059 H HN 0.430 nan 8.280 nan 0.000 0.464 1060 P HA -0.031 nan 4.420 nan 0.000 0.259 1060 P C 0.831 177.972 177.300 -0.265 0.000 1.211 1060 P CA 0.981 63.990 63.100 -0.153 0.000 0.810 1060 P CB 0.463 32.106 31.700 -0.094 0.000 0.815 1061 G N 2.640 111.289 108.800 -0.251 0.000 3.675 1061 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.206 1061 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.206 1061 G C -0.086 174.703 174.900 -0.185 0.000 1.086 1061 G CA -0.520 44.457 45.100 -0.206 0.000 0.894 1061 G HN 0.403 nan 8.290 nan 0.000 0.412 1062 E N 2.086 122.197 120.200 -0.148 0.000 3.025 1062 E HA -0.017 4.333 4.350 -0.000 0.000 0.248 1062 E C 0.551 177.011 176.600 -0.232 0.000 0.938 1062 E CA 0.500 56.800 56.400 -0.166 0.000 0.958 1062 E CB 0.167 29.767 29.700 -0.166 0.000 0.898 1062 E HN 0.242 nan 8.360 nan 0.000 0.537 1063 M N 4.762 124.249 119.600 -0.189 0.000 3.709 1063 M HA -0.026 4.454 4.480 -0.000 0.000 0.197 1063 M C 1.298 177.478 176.300 -0.200 0.000 1.511 1063 M CA -0.093 55.092 55.300 -0.191 0.000 1.688 1063 M CB -0.931 31.582 32.600 -0.145 0.000 1.109 1063 M HN 0.244 nan 8.290 nan 0.000 0.561 1064 V N 0.932 120.673 119.914 -0.289 0.000 2.277 1064 V HA -0.315 3.805 4.120 -0.000 0.000 0.253 1064 V C 2.389 178.393 176.094 -0.150 0.000 1.067 1064 V CA 2.514 64.627 62.300 -0.311 0.000 1.047 1064 V CB -1.492 29.950 31.823 -0.636 0.000 0.649 1064 V HN 0.765 nan 8.190 nan 0.000 0.447 1065 G N -0.130 108.582 108.800 -0.148 0.000 2.586 1065 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 1065 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 1065 G C 1.651 176.490 174.900 -0.102 0.000 1.216 1065 G CA 1.553 46.590 45.100 -0.107 0.000 0.786 1065 G HN 0.397 nan 8.290 nan 0.000 0.583 1066 V N 1.031 120.874 119.914 -0.119 0.000 2.332 1066 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 1066 V C 2.696 178.725 176.094 -0.107 0.000 1.055 1066 V CA 1.533 63.763 62.300 -0.117 0.000 1.038 1066 V CB -0.637 31.119 31.823 -0.112 0.000 0.651 1066 V HN 0.315 nan 8.190 nan 0.000 0.450 1067 L N 0.899 122.065 121.223 -0.096 0.000 1.944 1067 L HA -0.203 4.137 4.340 -0.000 0.000 0.218 1067 L C 2.648 179.434 176.870 -0.139 0.000 1.075 1067 L CA 2.893 57.678 54.840 -0.092 0.000 0.767 1067 L CB -1.700 40.338 42.059 -0.035 0.000 0.890 1067 L HN 0.323 nan 8.230 nan 0.000 0.434 1068 A N -0.328 122.480 122.820 -0.019 0.000 1.903 1068 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 1068 A C 2.450 179.972 177.584 -0.104 0.000 1.191 1068 A CA 2.946 55.001 52.037 0.029 0.000 0.638 1068 A CB -1.199 17.951 19.000 0.249 0.000 0.823 1068 A HN 0.689 nan 8.150 nan 0.000 0.451 1069 A N -0.695 122.070 122.820 -0.092 0.000 1.852 1069 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 1069 A C 2.120 179.628 177.584 -0.126 0.000 1.215 1069 A CA 2.068 54.037 52.037 -0.114 0.000 0.641 1069 A CB -0.984 17.934 19.000 -0.137 0.000 0.838 1069 A HN 0.688 nan 8.150 nan 0.000 0.450 1070 Q N -0.427 119.296 119.800 -0.129 0.000 2.014 1070 Q HA -0.186 4.153 4.340 -0.000 0.000 0.207 1070 Q C 2.370 178.292 176.000 -0.131 0.000 0.993 1070 Q CA 1.906 57.641 55.803 -0.113 0.000 0.850 1070 Q CB -0.503 28.187 28.738 -0.080 0.000 0.916 1070 Q HN 0.632 nan 8.270 nan 0.000 0.417 1071 S N 0.515 116.086 115.700 -0.214 0.000 2.444 1071 S HA -0.173 4.296 4.470 -0.000 0.000 0.244 1071 S C 1.797 176.295 174.600 -0.171 0.000 1.025 1071 S CA 1.142 59.170 58.200 -0.287 0.000 0.995 1071 S CB -0.181 62.527 63.200 -0.820 0.000 0.781 1071 S HN 0.302 nan 8.310 nan 0.000 0.496 1072 I N -0.223 120.269 120.570 -0.129 0.000 3.172 1072 I HA 0.081 4.251 4.170 -0.000 0.000 0.278 1072 I C 2.451 178.524 176.117 -0.074 0.000 1.174 1072 I CA 0.643 61.901 61.300 -0.071 0.000 1.445 1072 I CB -0.378 37.596 38.000 -0.043 0.000 1.175 1072 I HN 0.339 nan 8.210 nan 0.000 0.447 1073 G N 0.229 108.975 108.800 -0.089 0.000 2.650 1073 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 1073 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 1073 G C 1.470 176.311 174.900 -0.099 0.000 1.136 1073 G CA 0.151 45.199 45.100 -0.086 0.000 0.789 1073 G HN 0.208 nan 8.290 nan 0.000 0.536 1074 E N 1.459 121.586 120.200 -0.121 0.000 2.033 1074 E HA -0.032 4.318 4.350 -0.000 0.000 0.189 1074 E C -0.112 176.402 176.600 -0.143 0.000 0.979 1074 E CA 0.724 57.017 56.400 -0.178 0.000 0.802 1074 E CB -0.594 28.954 29.700 -0.253 0.000 0.763 1074 E HN 0.339 nan 8.360 nan 0.000 0.449 1075 P HA -0.029 nan 4.420 nan 0.000 0.234 1075 P C 0.826 178.089 177.300 -0.062 0.000 1.167 1075 P CA 1.144 64.202 63.100 -0.069 0.000 0.763 1075 P CB 0.051 31.726 31.700 -0.042 0.000 0.835 1076 A N -0.003 122.778 122.820 -0.066 0.000 1.970 1076 A HA -0.034 4.285 4.320 -0.000 0.000 0.216 1076 A C 2.223 179.778 177.584 -0.049 0.000 1.170 1076 A CA 1.593 53.599 52.037 -0.052 0.000 0.645 1076 A CB -1.504 17.467 19.000 -0.048 0.000 0.816 1076 A HN 0.147 nan 8.150 nan 0.000 0.447 1077 T N 0.187 114.703 114.554 -0.063 0.000 2.985 1077 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 1077 T C 1.585 176.253 174.700 -0.054 0.000 1.076 1077 T CA 1.021 63.087 62.100 -0.056 0.000 1.135 1077 T CB -0.130 68.696 68.868 -0.070 0.000 0.890 1077 T HN 0.405 nan 8.240 nan 0.000 0.480 1078 Q N 0.620 120.383 119.800 -0.061 0.000 2.515 1078 Q HA 0.188 4.527 4.340 -0.000 0.000 0.214 1078 Q C 0.366 176.344 176.000 -0.038 0.000 0.971 1078 Q CA 0.296 56.069 55.803 -0.051 0.000 0.952 1078 Q CB -0.408 28.298 28.738 -0.054 0.000 0.999 1078 Q HN 0.568 nan 8.270 nan 0.000 0.524 1079 M N 1.500 121.077 119.600 -0.037 0.000 2.725 1079 M HA 0.084 4.564 4.480 -0.000 0.000 0.322 1079 M C -0.274 176.010 176.300 -0.027 0.000 1.393 1079 M CA 0.191 55.473 55.300 -0.031 0.000 1.452 1079 M CB 0.041 32.622 32.600 -0.032 0.000 1.242 1079 M HN -0.239 nan 8.290 nan 0.000 0.487 1080 T N 4.911 119.450 114.554 -0.025 0.000 3.185 1080 T HA 0.498 4.848 4.350 -0.000 0.000 0.287 1080 T C 0.120 174.807 174.700 -0.021 0.000 1.051 1080 T CA 0.144 62.230 62.100 -0.023 0.000 1.051 1080 T CB -0.085 68.771 68.868 -0.021 0.000 1.034 1080 T HN 0.487 nan 8.240 nan 0.000 0.685 1093 K N 2.245 122.654 120.400 0.016 0.000 2.484 1093 K HA 0.438 4.758 4.320 -0.000 0.000 0.226 1093 K C -1.107 175.501 176.600 0.013 0.000 1.031 1093 K CA -0.328 55.964 56.287 0.009 0.000 1.026 1093 K CB 1.834 34.336 32.500 0.003 0.000 1.412 1093 K HN -0.168 nan 8.250 nan 0.000 0.492 1094 V N 0.412 120.334 119.914 0.014 0.000 3.188 1094 V HA 0.260 4.380 4.120 -0.000 0.000 0.305 1094 V C -0.068 176.035 176.094 0.014 0.000 1.232 1094 V CA -1.153 61.158 62.300 0.018 0.000 1.043 1094 V CB 2.360 34.200 31.823 0.029 0.000 1.068 1094 V HN 0.564 nan 8.190 nan 0.000 0.439 1095 T N 3.333 117.898 114.554 0.018 0.000 2.871 1095 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 1095 T C 0.047 174.756 174.700 0.014 0.000 0.998 1095 T CA 0.422 62.532 62.100 0.017 0.000 1.162 1095 T CB -0.043 68.841 68.868 0.027 0.000 0.947 1095 T HN 1.043 nan 8.240 nan 0.000 0.536 1096 S N 1.379 117.083 115.700 0.006 0.000 2.547 1096 S HA 0.837 5.307 4.470 -0.000 0.000 0.270 1096 S C 0.092 174.686 174.600 -0.011 0.000 1.150 1096 S CA -0.432 57.766 58.200 -0.004 0.000 0.850 1096 S CB 1.794 64.989 63.200 -0.008 0.000 1.118 1096 S HN 1.463 nan 8.310 nan 0.000 0.461 1097 G N 0.716 109.503 108.800 -0.022 0.000 2.499 1097 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.232 1097 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.232 1097 G C 0.572 175.461 174.900 -0.018 0.000 1.251 1097 G CA 0.133 45.218 45.100 -0.025 0.000 0.917 1097 G HN 1.640 nan 8.290 nan 0.000 0.580 1098 V N 3.076 122.982 119.914 -0.014 0.000 2.250 1098 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 1098 V C 0.944 177.043 176.094 0.009 0.000 1.060 1098 V CA 3.442 65.739 62.300 -0.005 0.000 1.030 1098 V CB -1.737 30.084 31.823 -0.004 0.000 0.643 1098 V HN 0.787 nan 8.190 nan 0.000 0.445 1099 P HA -0.199 nan 4.420 nan 0.000 0.218 1099 P C 1.567 178.885 177.300 0.029 0.000 1.149 1099 P CA 1.607 64.721 63.100 0.022 0.000 0.817 1099 P CB -0.070 31.639 31.700 0.016 0.000 0.785 1100 R N 0.801 121.312 120.500 0.019 0.000 2.070 1100 R HA -0.123 4.217 4.340 -0.000 0.000 0.233 1100 R C 2.342 178.658 176.300 0.027 0.000 1.137 1100 R CA 1.341 57.456 56.100 0.025 0.000 0.945 1100 R CB -1.985 28.319 30.300 0.007 0.000 0.845 1100 R HN 0.108 nan 8.270 nan 0.000 0.430 1101 L N 1.291 122.519 121.223 0.009 0.000 2.043 1101 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 1101 L C 2.267 179.158 176.870 0.035 0.000 1.075 1101 L CA 2.258 57.100 54.840 0.004 0.000 0.752 1101 L CB -0.725 41.328 42.059 -0.009 0.000 0.891 1101 L HN 0.351 nan 8.230 nan 0.000 0.432 1102 K N -0.485 119.945 120.400 0.049 0.000 2.002 1102 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 1102 K C 2.150 178.807 176.600 0.095 0.000 1.048 1102 K CA 1.914 58.248 56.287 0.077 0.000 0.930 1102 K CB -0.267 32.280 32.500 0.078 0.000 0.714 1102 K HN 0.471 nan 8.250 nan 0.000 0.438 1103 E N 0.451 120.705 120.200 0.090 0.000 2.086 1103 E HA -0.231 4.119 4.350 -0.000 0.000 0.200 1103 E C 1.947 178.652 176.600 0.174 0.000 1.012 1103 E CA 1.989 58.458 56.400 0.115 0.000 0.812 1103 E CB -0.077 29.685 29.700 0.103 0.000 0.743 1103 E HN 0.376 nan 8.360 nan 0.000 0.453 1104 I N 0.232 120.895 120.570 0.155 0.000 2.163 1104 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 1104 I C 2.333 178.565 176.117 0.192 0.000 1.081 1104 I CA 0.869 62.278 61.300 0.182 0.000 1.353 1104 I CB -0.313 37.669 38.000 -0.030 0.000 1.054 1104 I HN 0.173 nan 8.210 nan 0.000 0.407 1105 L N 0.681 121.976 121.223 0.120 0.000 2.083 1105 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 1105 L C 2.010 178.978 176.870 0.164 0.000 1.083 1105 L CA 1.201 56.115 54.840 0.122 0.000 0.752 1105 L CB -0.735 41.373 42.059 0.082 0.000 0.899 1105 L HN 0.348 nan 8.230 nan 0.000 0.433 1106 N N -0.122 118.676 118.700 0.163 0.000 2.550 1106 N HA -0.040 4.700 4.740 -0.000 0.000 0.186 1106 N C 0.474 176.080 175.510 0.160 0.000 1.110 1106 N CA 0.390 53.539 53.050 0.165 0.000 0.912 1106 N CB 0.246 38.822 38.487 0.149 0.000 0.968 1106 N HN 0.033 nan 8.380 nan 0.000 0.448 1107 V N 0.523 120.555 119.914 0.197 0.000 5.915 1107 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 1107 V C 0.552 176.683 176.094 0.063 0.000 0.647 1107 V CA 0.460 62.858 62.300 0.162 0.000 0.573 1107 V CB -2.503 29.400 31.823 0.133 0.000 0.266 1107 V HN 0.418 nan 8.190 nan 0.000 0.580 1108 A N 1.709 124.572 122.820 0.072 0.000 2.316 1108 A HA 0.718 5.037 4.320 -0.000 0.000 0.284 1108 A C 0.933 178.496 177.584 -0.034 0.000 1.115 1108 A CA 0.230 52.284 52.037 0.029 0.000 0.812 1108 A CB 1.013 20.048 19.000 0.058 0.000 1.064 1108 A HN 0.595 nan 8.150 nan 0.000 0.489 1109 K N 0.985 121.360 120.400 -0.040 0.000 2.262 1109 K HA 0.007 4.327 4.320 -0.000 0.000 0.200 1109 K C 0.243 176.814 176.600 -0.047 0.000 1.049 1109 K CA 1.443 57.690 56.287 -0.066 0.000 0.979 1109 K CB 0.160 32.625 32.500 -0.059 0.000 0.773 1109 K HN 0.753 nan 8.250 nan 0.000 0.474 1110 N N 2.717 121.404 118.700 -0.022 0.000 2.839 1110 N HA 0.073 4.813 4.740 -0.000 0.000 0.314 1110 N C -0.343 175.168 175.510 0.002 0.000 1.449 1110 N CA -0.194 52.848 53.050 -0.013 0.000 1.050 1110 N CB -0.108 38.373 38.487 -0.009 0.000 1.364 1110 N HN 0.211 nan 8.380 nan 0.000 0.512 1111 M N -0.879 118.726 119.600 0.008 0.000 2.240 1111 M HA 0.052 4.532 4.480 -0.000 0.000 0.346 1111 M C 0.874 177.186 176.300 0.019 0.000 1.236 1111 M CA 0.434 55.752 55.300 0.029 0.000 0.986 1111 M CB 0.703 33.335 32.600 0.052 0.000 1.786 1111 M HN -0.026 nan 8.290 nan 0.000 0.457 1112 K N 1.188 121.601 120.400 0.022 0.000 2.074 1112 K HA -0.070 4.250 4.320 -0.000 0.000 0.209 1112 K C 0.314 176.922 176.600 0.013 0.000 1.048 1112 K CA 1.561 57.856 56.287 0.015 0.000 0.926 1112 K CB -0.276 32.233 32.500 0.015 0.000 0.713 1112 K HN 0.747 nan 8.250 nan 0.000 0.444 1113 T N 2.351 116.917 114.554 0.019 0.000 2.770 1113 T HA 0.135 4.484 4.350 -0.000 0.000 0.297 1113 T C -1.922 172.787 174.700 0.015 0.000 0.997 1113 T CA -1.489 60.621 62.100 0.016 0.000 0.949 1113 T CB 1.921 70.803 68.868 0.022 0.000 0.941 1113 T HN 0.053 nan 8.240 nan 0.000 0.457 1114 P HA 0.049 nan 4.420 nan 0.000 0.216 1114 P C 0.723 178.014 177.300 -0.015 0.000 1.151 1114 P CA 0.289 63.384 63.100 -0.008 0.000 0.863 1114 P CB 0.188 31.878 31.700 -0.016 0.000 0.790 1115 S N -0.137 115.558 115.700 -0.009 0.000 3.229 1115 S HA -0.097 4.373 4.470 -0.000 0.000 0.717 1115 S C -0.353 174.229 174.600 -0.030 0.000 2.619 1115 S CA 0.918 59.113 58.200 -0.008 0.000 2.726 1115 S CB -0.803 62.403 63.200 0.010 0.000 0.300 1115 S HN 0.506 nan 8.310 nan 0.000 1.474 1116 L N 0.377 121.590 121.223 -0.016 0.000 3.586 1116 L HA 0.561 4.900 4.340 -0.000 0.000 0.267 1116 L C -0.566 176.316 176.870 0.020 0.000 0.980 1116 L CA -0.164 54.661 54.840 -0.026 0.000 1.199 1116 L CB 0.979 43.022 42.059 -0.027 0.000 1.946 1116 L HN 0.517 nan 8.230 nan 0.000 0.595 1117 T N 3.961 118.555 114.554 0.066 0.000 2.744 1117 T HA 0.687 5.037 4.350 -0.000 0.000 0.291 1117 T C 0.023 174.771 174.700 0.080 0.000 0.957 1117 T CA -0.083 62.051 62.100 0.056 0.000 1.002 1117 T CB 1.162 70.102 68.868 0.119 0.000 0.919 1117 T HN 0.951 nan 8.240 nan 0.000 0.468 1118 V N 1.751 121.662 119.914 -0.005 0.000 2.495 1118 V HA 0.668 4.788 4.120 -0.000 0.000 0.298 1118 V C -1.218 174.883 176.094 0.012 0.000 1.031 1118 V CA -1.223 61.130 62.300 0.089 0.000 0.871 1118 V CB 0.456 32.323 31.823 0.072 0.000 0.988 1118 V HN 0.679 nan 8.190 nan 0.000 0.432 1119 Y N 3.481 123.837 120.300 0.094 0.000 2.376 1119 Y HA 0.688 5.238 4.550 -0.000 0.000 0.325 1119 Y C 0.677 176.624 175.900 0.079 0.000 1.199 1119 Y CA -0.936 57.216 58.100 0.087 0.000 1.206 1119 Y CB 0.987 39.505 38.460 0.097 0.000 1.229 1119 Y HN 0.518 nan 8.280 nan 0.000 0.480 1120 L N 0.572 121.936 121.223 0.235 0.000 2.237 1120 L HA -0.010 4.330 4.340 -0.000 0.000 0.163 1120 L C 0.487 177.462 176.870 0.175 0.000 0.816 1120 L CA 0.327 55.274 54.840 0.178 0.000 1.199 1120 L CB -0.365 41.804 42.059 0.183 0.000 1.458 1120 L HN 0.656 nan 8.230 nan 0.000 0.441 1121 E N -1.339 118.968 120.200 0.177 0.000 2.227 1121 E HA 0.258 4.608 4.350 -0.000 0.000 0.268 1121 E C -1.907 174.741 176.600 0.079 0.000 0.907 1121 E CA -1.759 54.727 56.400 0.143 0.000 0.786 1121 E CB 1.704 31.529 29.700 0.207 0.000 1.191 1121 E HN 0.164 nan 8.360 nan 0.000 0.411 1122 P HA -0.336 nan 4.420 nan 0.000 0.220 1122 P C 0.939 178.203 177.300 -0.061 0.000 0.885 1122 P CA 2.478 65.566 63.100 -0.021 0.000 1.045 1122 P CB -0.035 31.642 31.700 -0.038 0.000 0.724 1123 G N -1.071 107.625 108.800 -0.173 0.000 2.484 1123 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 1123 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 1123 G C 0.289 175.089 174.900 -0.167 0.000 1.219 1123 G CA 0.563 45.527 45.100 -0.228 0.000 0.791 1123 G HN 0.433 nan 8.290 nan 0.000 0.550 1124 H N 1.493 120.591 119.070 0.046 0.000 3.444 1124 H HA 0.318 4.874 4.556 -0.000 0.000 0.224 1124 H C 0.903 176.281 175.328 0.084 0.000 1.034 1124 H CA 0.460 56.542 56.048 0.057 0.000 1.416 1124 H CB -0.065 29.726 29.762 0.047 0.000 1.591 1124 H HN 0.341 nan 8.280 nan 0.000 0.522 1125 A N 3.096 126.022 122.820 0.177 0.000 1.845 1125 A HA 0.417 4.737 4.320 -0.000 0.000 0.188 1125 A C 1.962 179.685 177.584 0.232 0.000 2.173 1125 A CA 0.354 52.497 52.037 0.177 0.000 1.255 1125 A CB -0.675 18.394 19.000 0.116 0.000 0.999 1125 A HN 0.527 nan 8.150 nan 0.000 0.634 1126 A N 0.260 123.192 122.820 0.187 0.000 2.272 1126 A HA 0.009 4.329 4.320 -0.000 0.000 0.213 1126 A C 0.283 178.033 177.584 0.277 0.000 1.183 1126 A CA 0.794 52.969 52.037 0.230 0.000 0.719 1126 A CB -0.737 18.347 19.000 0.140 0.000 0.771 1126 A HN 0.411 nan 8.150 nan 0.000 0.484 1127 D N 0.410 120.947 120.400 0.228 0.000 2.489 1127 D HA 0.111 4.751 4.640 -0.000 0.000 0.237 1127 D C 1.415 177.733 176.300 0.029 0.000 1.212 1127 D CA 0.143 54.222 54.000 0.132 0.000 1.058 1127 D CB 0.577 41.451 40.800 0.123 0.000 1.098 1127 D HN 0.544 nan 8.370 nan 0.000 0.509 1128 Q N 2.627 122.409 119.800 -0.030 0.000 1.954 1128 Q HA -0.294 4.046 4.340 -0.000 0.000 0.215 1128 Q C 1.637 177.397 176.000 -0.400 0.000 1.026 1128 Q CA 2.194 57.769 55.803 -0.379 0.000 0.881 1128 Q CB -0.199 28.417 28.738 -0.203 0.000 0.977 1128 Q HN 0.539 nan 8.270 nan 0.000 0.416 1129 E N -1.100 118.962 120.200 -0.230 0.000 2.110 1129 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 1129 E C 1.975 178.475 176.600 -0.166 0.000 0.988 1129 E CA 1.135 57.417 56.400 -0.196 0.000 0.804 1129 E CB -0.207 29.415 29.700 -0.130 0.000 0.745 1129 E HN 0.485 nan 8.360 nan 0.000 0.458 1130 Q N 0.744 120.470 119.800 -0.124 0.000 2.268 1130 Q HA -0.209 4.131 4.340 -0.000 0.000 0.210 1130 Q C 1.573 177.511 176.000 -0.104 0.000 0.988 1130 Q CA 1.875 57.615 55.803 -0.106 0.000 0.883 1130 Q CB -0.439 28.263 28.738 -0.060 0.000 0.911 1130 Q HN 0.356 nan 8.270 nan 0.000 0.430 1131 A N 0.493 123.229 122.820 -0.140 0.000 1.840 1131 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 1131 A C 1.962 179.463 177.584 -0.138 0.000 1.198 1131 A CA 1.592 53.550 52.037 -0.131 0.000 0.608 1131 A CB -0.478 18.387 19.000 -0.226 0.000 0.839 1131 A HN 0.448 nan 8.150 nan 0.000 0.443 1132 K N -0.028 120.259 120.400 -0.188 0.000 2.034 1132 K HA -0.202 4.118 4.320 -0.000 0.000 0.214 1132 K C 1.793 178.323 176.600 -0.118 0.000 1.051 1132 K CA 1.807 57.995 56.287 -0.166 0.000 0.931 1132 K CB -0.755 31.635 32.500 -0.184 0.000 0.715 1132 K HN 0.461 nan 8.250 nan 0.000 0.446 1133 L N 0.822 121.979 121.223 -0.110 0.000 2.151 1133 L HA -0.261 4.079 4.340 -0.000 0.000 0.215 1133 L C 2.314 179.144 176.870 -0.067 0.000 1.084 1133 L CA 1.319 56.107 54.840 -0.087 0.000 0.764 1133 L CB -0.717 41.287 42.059 -0.091 0.000 0.891 1133 L HN 0.257 nan 8.230 nan 0.000 0.435 1134 I N -1.517 119.015 120.570 -0.062 0.000 2.429 1134 I HA -0.150 4.020 4.170 -0.000 0.000 0.247 1134 I C 2.750 178.849 176.117 -0.030 0.000 1.099 1134 I CA 0.476 61.754 61.300 -0.037 0.000 1.422 1134 I CB -0.517 37.469 38.000 -0.024 0.000 1.112 1134 I HN 0.171 nan 8.210 nan 0.000 0.430 1135 R N 2.091 122.566 120.500 -0.042 0.000 2.136 1135 R HA -0.273 4.067 4.340 -0.000 0.000 0.242 1135 R C 2.358 178.649 176.300 -0.016 0.000 1.131 1135 R CA 2.913 58.996 56.100 -0.027 0.000 0.937 1135 R CB -0.641 29.626 30.300 -0.055 0.000 0.863 1135 R HN 0.500 nan 8.270 nan 0.000 0.435 1136 S N -0.417 115.260 115.700 -0.038 0.000 2.500 1136 S HA -0.010 4.460 4.470 -0.000 0.000 0.239 1136 S C 1.835 176.424 174.600 -0.020 0.000 0.989 1136 S CA 0.868 59.049 58.200 -0.032 0.000 0.951 1136 S CB 0.028 63.196 63.200 -0.054 0.000 0.759 1136 S HN 0.535 nan 8.310 nan 0.000 0.523 1137 A N 0.730 123.540 122.820 -0.017 0.000 2.238 1137 A HA 0.480 4.800 4.320 -0.000 0.000 0.210 1137 A C 1.785 179.373 177.584 0.008 0.000 1.179 1137 A CA 0.331 52.363 52.037 -0.009 0.000 0.827 1137 A CB -0.342 18.650 19.000 -0.014 0.000 0.856 1137 A HN 0.641 nan 8.150 nan 0.000 0.488 1138 I N -1.693 118.886 120.570 0.015 0.000 3.570 1138 I HA 0.124 4.294 4.170 -0.000 0.000 0.270 1138 I C 0.924 177.071 176.117 0.050 0.000 1.162 1138 I CA -0.195 61.123 61.300 0.029 0.000 1.413 1138 I CB -0.499 37.515 38.000 0.024 0.000 1.437 1138 I HN 0.231 nan 8.210 nan 0.000 0.457 1139 E N 2.957 123.187 120.200 0.050 0.000 2.708 1139 E HA -0.217 4.133 4.350 -0.000 0.000 0.260 1139 E C -0.181 176.476 176.600 0.095 0.000 0.937 1139 E CA 0.237 56.680 56.400 0.072 0.000 0.953 1139 E CB 0.218 29.960 29.700 0.070 0.000 0.915 1139 E HN 0.242 nan 8.360 nan 0.000 0.487 1140 H N 3.315 122.385 119.070 0.001 0.000 2.864 1140 H HA 0.219 4.775 4.556 -0.000 0.000 0.281 1140 H C -1.123 174.202 175.328 -0.006 0.000 1.093 1140 H CA 0.009 56.053 56.048 -0.006 0.000 1.453 1140 H CB 0.628 30.385 29.762 -0.008 0.000 1.462 1140 H HN 0.324 nan 8.280 nan 0.000 0.480 1141 T N 4.958 119.304 114.554 -0.348 0.000 2.807 1141 T HA 0.370 4.720 4.350 -0.000 0.000 0.279 1141 T C -0.487 173.975 174.700 -0.398 0.000 0.993 1141 T CA -0.801 61.123 62.100 -0.294 0.000 0.970 1141 T CB 0.968 69.753 68.868 -0.139 0.000 0.950 1141 T HN 0.724 nan 8.240 nan 0.000 0.441 1142 T N 1.190 115.568 114.554 -0.292 0.000 2.829 1142 T HA 0.404 4.754 4.350 -0.000 0.000 0.280 1142 T C 1.158 175.793 174.700 -0.107 0.000 0.999 1142 T CA -0.923 61.057 62.100 -0.200 0.000 0.983 1142 T CB 1.350 70.133 68.868 -0.141 0.000 0.968 1142 T HN 0.247 nan 8.240 nan 0.000 0.446 1143 L N 2.092 123.268 121.223 -0.079 0.000 2.103 1143 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 1143 L C 2.454 179.302 176.870 -0.036 0.000 1.080 1143 L CA 2.022 56.831 54.840 -0.052 0.000 0.764 1143 L CB -0.832 41.210 42.059 -0.029 0.000 0.890 1143 L HN 0.941 nan 8.230 nan 0.000 0.435 1144 K N -0.785 119.598 120.400 -0.029 0.000 2.113 1144 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 1144 K C 1.991 178.580 176.600 -0.019 0.000 1.047 1144 K CA 1.682 57.960 56.287 -0.015 0.000 0.928 1144 K CB -0.193 32.303 32.500 -0.007 0.000 0.716 1144 K HN 0.653 nan 8.250 nan 0.000 0.446 1145 S N -0.239 115.441 115.700 -0.033 0.000 2.474 1145 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 1145 S C 1.721 176.306 174.600 -0.025 0.000 0.997 1145 S CA 0.935 59.118 58.200 -0.029 0.000 0.949 1145 S CB -0.013 63.163 63.200 -0.040 0.000 0.766 1145 S HN 0.264 nan 8.310 nan 0.000 0.517 1146 V N -2.071 117.825 119.914 -0.031 0.000 3.635 1146 V HA 0.250 4.369 4.120 -0.000 0.000 0.266 1146 V C 0.568 176.650 176.094 -0.020 0.000 1.316 1146 V CA -0.052 62.231 62.300 -0.028 0.000 1.060 1146 V CB -0.932 30.866 31.823 -0.042 0.000 0.820 1146 V HN 0.276 nan 8.190 nan 0.000 0.447 1147 T N 2.150 116.694 114.554 -0.016 0.000 2.779 1147 T HA 0.479 4.829 4.350 -0.000 0.000 0.296 1147 T C 1.238 175.939 174.700 0.000 0.000 0.938 1147 T CA 0.159 62.255 62.100 -0.007 0.000 1.119 1147 T CB 1.565 70.432 68.868 -0.002 0.000 0.891 1147 T HN 0.196 nan 8.240 nan 0.000 0.526 1148 I N 1.489 122.062 120.570 0.004 0.000 2.296 1148 I HA 0.200 4.370 4.170 -0.000 0.000 0.242 1148 I C 1.329 177.455 176.117 0.015 0.000 1.087 1148 I CA 0.524 61.830 61.300 0.009 0.000 1.393 1148 I CB -0.039 37.967 38.000 0.011 0.000 1.093 1148 I HN 0.635 nan 8.210 nan 0.000 0.421 1149 A N -0.079 122.753 122.820 0.020 0.000 2.609 1149 A HA 0.653 4.973 4.320 -0.000 0.000 0.291 1149 A C -0.865 176.740 177.584 0.036 0.000 1.096 1149 A CA -0.319 51.736 52.037 0.029 0.000 0.684 1149 A CB 1.448 20.471 19.000 0.037 0.000 1.282 1149 A HN 0.140 nan 8.150 nan 0.000 0.412 1150 S N 0.031 115.757 115.700 0.043 0.000 2.536 1150 S HA 0.854 5.324 4.470 -0.000 0.000 0.287 1150 S C -0.961 173.687 174.600 0.081 0.000 1.101 1150 S CA -0.516 57.716 58.200 0.053 0.000 0.950 1150 S CB 1.724 64.946 63.200 0.037 0.000 1.056 1150 S HN 0.724 nan 8.310 nan 0.000 0.481 1151 E N 1.094 121.371 120.200 0.128 0.000 2.408 1151 E HA 0.566 4.916 4.350 -0.000 0.000 0.275 1151 E C -1.220 175.527 176.600 0.245 0.000 0.935 1151 E CA -0.872 55.651 56.400 0.206 0.000 0.775 1151 E CB 2.245 32.197 29.700 0.420 0.000 1.277 1151 E HN 0.716 nan 8.360 nan 0.000 0.455 1152 I N 1.769 122.467 120.570 0.212 0.000 2.411 1152 I HA 0.388 4.558 4.170 -0.000 0.000 0.284 1152 I C -1.057 175.242 176.117 0.303 0.000 1.012 1152 I CA -0.812 60.619 61.300 0.218 0.000 1.119 1152 I CB 0.278 38.295 38.000 0.028 0.000 1.261 1152 I HN 0.363 nan 8.210 nan 0.000 0.448 1153 Y N 4.180 124.610 120.300 0.217 0.000 2.545 1153 Y HA 0.381 4.931 4.550 -0.000 0.000 0.324 1153 Y C -0.442 175.764 175.900 0.511 0.000 1.220 1153 Y CA -0.871 57.402 58.100 0.289 0.000 1.290 1153 Y CB 0.940 39.501 38.460 0.167 0.000 1.355 1153 Y HN 0.415 nan 8.280 nan 0.000 0.516 1154 Y N 1.864 122.410 120.300 0.411 0.000 2.587 1154 Y HA 0.359 4.909 4.550 -0.000 0.000 0.328 1154 Y C -1.141 174.763 175.900 0.006 0.000 0.980 1154 Y CA -1.019 57.141 58.100 0.099 0.000 1.272 1154 Y CB 0.338 38.778 38.460 -0.032 0.000 1.094 1154 Y HN 0.491 nan 8.280 nan 0.000 0.503 1155 D N 8.499 128.574 120.400 -0.541 0.000 2.473 1155 D HA 0.256 4.896 4.640 -0.000 0.000 0.253 1155 D C -2.400 173.565 176.300 -0.558 0.000 1.233 1155 D CA -1.503 52.232 54.000 -0.442 0.000 0.908 1155 D CB 2.621 43.335 40.800 -0.143 0.000 1.170 1155 D HN 0.283 nan 8.370 nan 0.000 0.558 1156 P HA 0.109 nan 4.420 nan 0.000 0.257 1156 P C -0.026 177.133 177.300 -0.234 0.000 1.241 1156 P CA 0.078 62.902 63.100 -0.460 0.000 0.816 1156 P CB 0.844 32.262 31.700 -0.470 0.000 1.150 1157 D N 2.198 122.484 120.400 -0.190 0.000 2.499 1157 D HA 0.153 4.793 4.640 -0.000 0.000 0.225 1157 D C -1.654 174.602 176.300 -0.073 0.000 1.124 1157 D CA -2.484 51.452 54.000 -0.108 0.000 0.938 1157 D CB 0.575 41.325 40.800 -0.083 0.000 1.014 1157 D HN 0.046 nan 8.370 nan 0.000 0.517 1158 P HA 0.001 nan 4.420 nan 0.000 0.286 1158 P C -0.059 177.265 177.300 0.040 0.000 1.577 1158 P CA 0.253 63.336 63.100 -0.028 0.000 0.805 1158 P CB 0.065 31.721 31.700 -0.074 0.000 1.706 1159 R N -0.758 119.759 120.500 0.029 0.000 2.504 1159 R HA 0.188 4.527 4.340 -0.000 0.000 0.396 1159 R C -0.267 176.024 176.300 -0.014 0.000 0.896 1159 R CA 0.053 56.177 56.100 0.040 0.000 1.152 1159 R CB 0.769 31.072 30.300 0.005 0.000 1.681 1159 R HN 0.253 nan 8.270 nan 0.000 0.537 1160 S N -0.916 114.778 115.700 -0.009 0.000 2.604 1160 S HA 0.249 4.719 4.470 -0.000 0.000 0.296 1160 S C -0.801 173.787 174.600 -0.021 0.000 1.097 1160 S CA -0.791 57.397 58.200 -0.021 0.000 0.883 1160 S CB 1.980 65.160 63.200 -0.034 0.000 1.081 1160 S HN -0.086 nan 8.310 nan 0.000 0.448 1161 T N 2.209 116.753 114.554 -0.015 0.000 2.895 1161 T HA 0.462 4.812 4.350 -0.000 0.000 0.283 1161 T C 1.180 175.878 174.700 -0.003 0.000 1.014 1161 T CA -0.648 61.442 62.100 -0.018 0.000 1.037 1161 T CB 1.558 70.411 68.868 -0.024 0.000 1.006 1161 T HN 0.708 nan 8.240 nan 0.000 0.468 1162 V N 2.247 122.170 119.914 0.016 0.000 3.444 1162 V HA 0.100 4.219 4.120 -0.000 0.000 0.271 1162 V C 0.572 176.706 176.094 0.067 0.000 1.188 1162 V CA 0.948 63.279 62.300 0.052 0.000 1.168 1162 V CB -1.125 30.756 31.823 0.098 0.000 0.810 1162 V HN 0.642 nan 8.190 nan 0.000 0.500 1163 I N 1.958 122.546 120.570 0.030 0.000 2.377 1163 I HA 0.272 4.442 4.170 -0.000 0.000 0.293 1163 I C -0.939 175.180 176.117 0.004 0.000 0.987 1163 I CA -2.020 59.290 61.300 0.016 0.000 1.185 1163 I CB 2.009 39.967 38.000 -0.069 0.000 1.341 1163 I HN -0.035 nan 8.210 nan 0.000 0.455 1164 P HA -0.171 nan 4.420 nan 0.000 0.212 1164 P C 0.864 178.165 177.300 0.001 0.000 1.180 1164 P CA 1.556 64.662 63.100 0.009 0.000 0.906 1164 P CB 0.154 31.864 31.700 0.017 0.000 0.782 1165 E N -0.252 119.949 120.200 0.001 0.000 2.394 1165 E HA -0.191 4.159 4.350 -0.000 0.000 0.202 1165 E C 0.795 177.391 176.600 -0.007 0.000 1.029 1165 E CA 1.192 57.591 56.400 -0.001 0.000 0.855 1165 E CB -0.608 29.091 29.700 -0.001 0.000 0.770 1165 E HN 0.379 nan 8.360 nan 0.000 0.527 1166 D N -0.318 120.072 120.400 -0.017 0.000 2.398 1166 D HA 0.023 4.663 4.640 -0.000 0.000 0.210 1166 D C 1.158 177.456 176.300 -0.003 0.000 1.094 1166 D CA 0.030 54.020 54.000 -0.017 0.000 0.839 1166 D CB 0.302 41.073 40.800 -0.047 0.000 0.963 1166 D HN 0.165 nan 8.370 nan 0.000 0.506 1167 E N 0.911 121.109 120.200 -0.003 0.000 2.023 1167 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 1167 E C 1.697 178.300 176.600 0.004 0.000 1.003 1167 E CA 0.876 57.275 56.400 -0.003 0.000 0.809 1167 E CB -0.042 29.652 29.700 -0.009 0.000 0.755 1167 E HN 0.346 nan 8.360 nan 0.000 0.449 1168 E N 0.806 121.009 120.200 0.005 0.000 2.233 1168 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 1168 E C 1.945 178.564 176.600 0.032 0.000 1.004 1168 E CA 0.891 57.298 56.400 0.011 0.000 0.819 1168 E CB -0.118 29.588 29.700 0.010 0.000 0.738 1168 E HN 0.291 nan 8.360 nan 0.000 0.478 1169 I N 0.430 121.025 120.570 0.042 0.000 2.676 1169 I HA -0.204 3.965 4.170 -0.000 0.000 0.259 1169 I C 1.991 178.182 176.117 0.124 0.000 1.194 1169 I CA 0.514 61.855 61.300 0.069 0.000 1.473 1169 I CB -0.151 37.878 38.000 0.049 0.000 1.096 1169 I HN 0.180 nan 8.210 nan 0.000 0.443 1170 I N 0.218 120.864 120.570 0.128 0.000 2.260 1170 I HA -0.199 3.971 4.170 -0.000 0.000 0.237 1170 I C 2.486 178.793 176.117 0.317 0.000 1.075 1170 I CA 0.896 62.349 61.300 0.257 0.000 1.376 1170 I CB -0.811 37.299 38.000 0.184 0.000 1.107 1170 I HN 0.117 nan 8.210 nan 0.000 0.420 1171 Q N 1.346 121.169 119.800 0.038 0.000 2.118 1171 Q HA -0.229 4.111 4.340 -0.000 0.000 0.211 1171 Q C 2.299 178.343 176.000 0.073 0.000 0.998 1171 Q CA 1.736 57.470 55.803 -0.114 0.000 0.872 1171 Q CB -0.479 28.197 28.738 -0.103 0.000 0.925 1171 Q HN 0.554 nan 8.270 nan 0.000 0.414 1172 L N -0.352 120.940 121.223 0.115 0.000 2.362 1172 L HA -0.080 4.260 4.340 -0.000 0.000 0.219 1172 L C 1.428 178.368 176.870 0.116 0.000 1.134 1172 L CA 0.456 55.350 54.840 0.090 0.000 0.807 1172 L CB -0.310 41.772 42.059 0.038 0.000 0.927 1172 L HN 0.294 nan 8.230 nan 0.000 0.447 1173 H N -0.626 118.588 119.070 0.240 0.000 2.540 1173 H HA 0.161 4.717 4.556 -0.000 0.000 0.264 1173 H C -0.147 175.217 175.328 0.060 0.000 1.427 1173 H CA 0.051 56.159 56.048 0.100 0.000 1.103 1173 H CB 0.233 29.971 29.762 -0.039 0.000 1.572 1173 H HN 0.176 nan 8.280 nan 0.000 0.511 1174 F N -1.281 118.674 119.950 0.008 0.000 2.964 1174 F HA 0.050 4.577 4.527 -0.000 0.000 0.371 1174 F C 1.067 176.853 175.800 -0.024 0.000 1.026 1174 F CA -0.245 57.762 58.000 0.011 0.000 1.106 1174 F CB 0.431 39.436 39.000 0.008 0.000 1.135 1174 F HN 0.069 nan 8.300 nan 0.000 0.557 1175 S N 0.301 116.067 115.700 0.111 0.000 2.739 1175 S HA 0.754 5.224 4.470 -0.000 0.000 0.306 1175 S C -0.192 174.392 174.600 -0.028 0.000 1.115 1175 S CA -0.763 57.458 58.200 0.036 0.000 0.985 1175 S CB 1.597 64.815 63.200 0.030 0.000 1.133 1175 S HN 0.053 nan 8.310 nan 0.000 0.541 1188 Q N 1.261 121.023 119.800 -0.064 0.000 2.177 1188 Q HA 0.613 4.953 4.340 -0.000 0.000 0.183 1188 Q C -0.656 175.333 176.000 -0.019 0.000 1.040 1188 Q CA -0.168 55.608 55.803 -0.046 0.000 1.089 1188 Q CB 1.209 29.895 28.738 -0.087 0.000 1.130 1188 Q HN 0.205 nan 8.270 nan 0.000 0.575 1189 S N -0.162 115.543 115.700 0.008 0.000 2.578 1189 S HA 0.387 4.856 4.470 -0.000 0.000 0.301 1189 S C -2.140 172.440 174.600 -0.032 0.000 1.091 1189 S CA -1.953 56.264 58.200 0.027 0.000 1.032 1189 S CB 1.015 64.290 63.200 0.125 0.000 1.064 1189 S HN 0.407 nan 8.310 nan 0.000 0.508 1190 P HA 0.124 nan 4.420 nan 0.000 0.249 1190 P C -0.654 176.398 177.300 -0.413 0.000 1.229 1190 P CA 0.083 62.952 63.100 -0.386 0.000 0.788 1190 P CB -0.132 31.243 31.700 -0.541 0.000 1.072 1191 W N 0.992 122.301 121.300 0.015 0.000 2.317 1191 W HA 0.363 5.023 4.660 -0.000 0.000 0.327 1191 W C 0.319 176.867 176.519 0.049 0.000 1.036 1191 W CA -1.116 56.271 57.345 0.071 0.000 1.419 1191 W CB 0.723 30.243 29.460 0.099 0.000 1.253 1191 W HN -0.115 nan 8.180 nan 0.000 0.392 1192 L N 4.748 126.207 121.223 0.392 0.000 2.456 1192 L HA 0.569 4.909 4.340 -0.000 0.000 0.257 1192 L C -0.736 176.271 176.870 0.230 0.000 1.162 1192 L CA -0.534 54.447 54.840 0.236 0.000 0.808 1192 L CB 0.835 43.003 42.059 0.182 0.000 1.136 1192 L HN 0.314 nan 8.230 nan 0.000 0.466 1193 L N 3.664 124.965 121.223 0.129 0.000 2.568 1193 L HA 0.503 4.843 4.340 -0.000 0.000 0.262 1193 L C -0.992 175.909 176.870 0.052 0.000 0.980 1193 L CA -0.310 54.587 54.840 0.096 0.000 0.882 1193 L CB 1.036 43.122 42.059 0.044 0.000 1.198 1193 L HN 0.720 nan 8.230 nan 0.000 0.425 1194 R N 4.430 124.965 120.500 0.058 0.000 2.407 1194 R HA 0.849 5.189 4.340 -0.000 0.000 0.303 1194 R C -1.502 174.812 176.300 0.022 0.000 0.981 1194 R CA -0.528 55.570 56.100 -0.003 0.000 0.905 1194 R CB 1.054 31.283 30.300 -0.118 0.000 1.099 1194 R HN 0.751 nan 8.270 nan 0.000 0.459 1195 L N 3.105 124.334 121.223 0.010 0.000 2.381 1195 L HA 0.433 4.773 4.340 -0.000 0.000 0.274 1195 L C -0.476 176.400 176.870 0.010 0.000 0.988 1195 L CA -0.615 54.234 54.840 0.016 0.000 0.824 1195 L CB 2.044 44.111 42.059 0.012 0.000 1.263 1195 L HN 0.628 nan 8.230 nan 0.000 0.410 1196 E N 4.375 124.583 120.200 0.014 0.000 2.073 1196 E HA 0.445 4.795 4.350 -0.000 0.000 0.269 1196 E C -1.088 175.515 176.600 0.006 0.000 0.917 1196 E CA -0.539 55.867 56.400 0.011 0.000 0.757 1196 E CB 1.005 30.715 29.700 0.018 0.000 1.111 1196 E HN 0.499 nan 8.360 nan 0.000 0.410 1197 L N 2.669 123.892 121.223 -0.000 0.000 2.421 1197 L HA 0.314 4.654 4.340 -0.000 0.000 0.263 1197 L C 0.564 177.431 176.870 -0.006 0.000 1.122 1197 L CA -0.678 54.156 54.840 -0.009 0.000 0.804 1197 L CB 0.709 42.755 42.059 -0.022 0.000 1.150 1197 L HN 0.499 nan 8.230 nan 0.000 0.457 1198 D N 0.911 121.306 120.400 -0.009 0.000 2.295 1198 D HA 0.098 4.738 4.640 -0.000 0.000 0.248 1198 D C 0.836 177.130 176.300 -0.009 0.000 1.154 1198 D CA -0.123 53.873 54.000 -0.006 0.000 0.857 1198 D CB 1.437 42.234 40.800 -0.005 0.000 1.117 1198 D HN 0.421 nan 8.370 nan 0.000 0.468 1199 R N 2.762 123.258 120.500 -0.006 0.000 2.081 1199 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 1199 R C 1.909 178.203 176.300 -0.010 0.000 1.131 1199 R CA 1.622 57.717 56.100 -0.008 0.000 0.960 1199 R CB 0.004 30.302 30.300 -0.003 0.000 0.856 1199 R HN 0.542 nan 8.270 nan 0.000 0.436 1200 A N 0.521 123.337 122.820 -0.006 0.000 1.902 1200 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 1200 A C 2.251 179.831 177.584 -0.005 0.000 1.181 1200 A CA 1.645 53.679 52.037 -0.005 0.000 0.623 1200 A CB -0.669 18.330 19.000 -0.001 0.000 0.818 1200 A HN 0.478 nan 8.150 nan 0.000 0.443 1201 A N -1.387 121.430 122.820 -0.005 0.000 2.121 1201 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 1201 A C 1.977 179.553 177.584 -0.014 0.000 1.154 1201 A CA 1.571 53.605 52.037 -0.005 0.000 0.679 1201 A CB -0.391 18.604 19.000 -0.007 0.000 0.795 1201 A HN 0.422 nan 8.150 nan 0.000 0.458 1202 M N -0.233 119.355 119.600 -0.021 0.000 2.447 1202 M HA 0.046 4.526 4.480 -0.000 0.000 0.264 1202 M C 1.016 177.297 176.300 -0.033 0.000 1.095 1202 M CA 0.741 56.022 55.300 -0.031 0.000 1.125 1202 M CB -0.991 31.588 32.600 -0.034 0.000 1.389 1202 M HN 0.385 nan 8.290 nan 0.000 0.459 1203 N N 0.078 118.762 118.700 -0.026 0.000 2.388 1203 N HA -0.078 4.662 4.740 -0.000 0.000 0.176 1203 N C 1.308 176.797 175.510 -0.035 0.000 1.062 1203 N CA 0.477 53.508 53.050 -0.032 0.000 0.895 1203 N CB 0.195 38.666 38.487 -0.026 0.000 1.018 1203 N HN 0.375 nan 8.380 nan 0.000 0.456 1204 D N 1.299 121.688 120.400 -0.018 0.000 2.117 1204 D HA -0.065 4.575 4.640 -0.000 0.000 0.198 1204 D C -0.195 176.091 176.300 -0.023 0.000 0.982 1204 D CA 1.052 55.050 54.000 -0.004 0.000 0.828 1204 D CB 0.399 41.224 40.800 0.042 0.000 0.967 1204 D HN 0.160 nan 8.370 nan 0.000 0.464 1205 K N 1.698 122.088 120.400 -0.017 0.000 2.507 1205 K HA 0.162 4.482 4.320 -0.000 0.000 0.253 1205 K C -0.899 175.674 176.600 -0.045 0.000 0.969 1205 K CA -0.767 55.504 56.287 -0.027 0.000 0.908 1205 K CB 1.970 34.466 32.500 -0.007 0.000 1.127 1205 K HN -0.088 nan 8.250 nan 0.000 0.437 1206 D N 3.004 123.368 120.400 -0.059 0.000 2.730 1206 D HA -0.048 4.592 4.640 -0.000 0.000 0.225 1206 D C -0.351 175.915 176.300 -0.057 0.000 1.107 1206 D CA 1.219 55.184 54.000 -0.059 0.000 0.837 1206 D CB 0.480 41.242 40.800 -0.063 0.000 1.171 1206 D HN 0.366 nan 8.370 nan 0.000 0.498 1207 L N 1.709 122.897 121.223 -0.058 0.000 2.653 1207 L HA 0.306 4.646 4.340 -0.000 0.000 0.257 1207 L C -0.543 176.284 176.870 -0.072 0.000 0.969 1207 L CA -0.630 54.169 54.840 -0.069 0.000 0.869 1207 L CB 2.598 44.614 42.059 -0.072 0.000 1.439 1207 L HN 0.196 nan 8.230 nan 0.000 0.414 1208 T N 1.551 116.048 114.554 -0.095 0.000 2.971 1208 T HA 0.305 4.655 4.350 -0.000 0.000 0.304 1208 T C 0.880 175.473 174.700 -0.179 0.000 1.038 1208 T CA -0.659 61.380 62.100 -0.102 0.000 1.007 1208 T CB 1.965 70.788 68.868 -0.076 0.000 1.055 1208 T HN 0.435 nan 8.240 nan 0.000 0.451 1209 M N 1.577 121.062 119.600 -0.193 0.000 2.108 1209 M HA -0.108 4.372 4.480 -0.000 0.000 0.257 1209 M C 2.454 178.345 176.300 -0.683 0.000 1.071 1209 M CA 2.079 57.150 55.300 -0.381 0.000 1.093 1209 M CB -1.701 30.755 32.600 -0.240 0.000 1.345 1209 M HN 0.863 nan 8.290 nan 0.000 0.403 1210 G N 0.263 108.837 108.800 -0.376 0.000 2.586 1210 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 1210 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 1210 G C 1.436 176.116 174.900 -0.367 0.000 1.216 1210 G CA 1.165 46.100 45.100 -0.276 0.000 0.786 1210 G HN 0.574 nan 8.290 nan 0.000 0.583 1211 Q N -0.129 119.527 119.800 -0.240 0.000 1.975 1211 Q HA -0.114 4.225 4.340 -0.000 0.000 0.205 1211 Q C 2.827 178.666 176.000 -0.268 0.000 0.990 1211 Q CA 1.834 57.520 55.803 -0.195 0.000 0.845 1211 Q CB -0.743 27.914 28.738 -0.135 0.000 0.913 1211 Q HN 0.323 nan 8.270 nan 0.000 0.420 1212 V N 1.127 120.864 119.914 -0.296 0.000 2.232 1212 V HA -0.374 3.746 4.120 -0.000 0.000 0.254 1212 V C 2.246 178.136 176.094 -0.340 0.000 1.058 1212 V CA 2.308 64.436 62.300 -0.285 0.000 1.048 1212 V CB -1.628 30.018 31.823 -0.295 0.000 0.668 1212 V HN 0.688 nan 8.190 nan 0.000 0.462 1213 G N -1.187 107.237 108.800 -0.628 0.000 2.418 1213 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 1213 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 1213 G C 1.417 176.094 174.900 -0.372 0.000 1.158 1213 G CA 0.779 45.506 45.100 -0.623 0.000 0.771 1213 G HN 0.523 nan 8.290 nan 0.000 0.545 1214 E N 0.265 120.202 120.200 -0.438 0.000 2.169 1214 E HA -0.212 4.138 4.350 -0.000 0.000 0.202 1214 E C 2.553 179.128 176.600 -0.041 0.000 1.016 1214 E CA 1.167 57.510 56.400 -0.096 0.000 0.817 1214 E CB -0.103 29.550 29.700 -0.077 0.000 0.736 1214 E HN 0.288 nan 8.360 nan 0.000 0.462 1215 R N 0.600 121.047 120.500 -0.088 0.000 2.052 1215 R HA 0.043 4.383 4.340 -0.000 0.000 0.226 1215 R C 2.467 178.771 176.300 0.007 0.000 1.145 1215 R CA 0.945 57.020 56.100 -0.042 0.000 0.952 1215 R CB -0.748 29.513 30.300 -0.065 0.000 0.847 1215 R HN 0.134 nan 8.270 nan 0.000 0.431 1216 I N 0.919 121.498 120.570 0.015 0.000 2.145 1216 I HA -0.389 3.781 4.170 -0.000 0.000 0.244 1216 I C 2.418 178.680 176.117 0.242 0.000 1.075 1216 I CA 1.875 63.261 61.300 0.144 0.000 1.332 1216 I CB -0.471 37.599 38.000 0.117 0.000 1.033 1216 I HN 0.245 nan 8.210 nan 0.000 0.410 1217 K N 1.261 121.758 120.400 0.162 0.000 2.009 1217 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 1217 K C 2.167 178.870 176.600 0.172 0.000 1.049 1217 K CA 2.066 58.459 56.287 0.178 0.000 0.929 1217 K CB -0.162 32.444 32.500 0.178 0.000 0.714 1217 K HN 0.524 nan 8.250 nan 0.000 0.440 1218 Q N -0.863 119.004 119.800 0.112 0.000 2.482 1218 Q HA -0.026 4.313 4.340 -0.000 0.000 0.209 1218 Q C 1.081 177.105 176.000 0.040 0.000 0.961 1218 Q CA 1.196 57.044 55.803 0.074 0.000 0.945 1218 Q CB 0.199 28.963 28.738 0.044 0.000 1.012 1218 Q HN 0.160 nan 8.270 nan 0.000 0.515 1219 T N 0.160 114.738 114.554 0.040 0.000 2.896 1219 T HA 0.022 4.372 4.350 -0.000 0.000 0.263 1219 T C 0.717 175.249 174.700 -0.279 0.000 1.050 1219 T CA 0.990 63.004 62.100 -0.142 0.000 1.140 1219 T CB -0.071 68.663 68.868 -0.224 0.000 0.877 1219 T HN 0.333 nan 8.240 nan 0.000 0.457 1220 F N 0.463 120.425 119.950 0.020 0.000 2.602 1220 F HA 0.395 4.922 4.527 -0.000 0.000 0.284 1220 F C 1.202 177.020 175.800 0.030 0.000 1.111 1220 F CA -0.326 57.690 58.000 0.026 0.000 1.405 1220 F CB 0.071 39.089 39.000 0.031 0.000 1.121 1220 F HN -0.056 nan 8.300 nan 0.000 0.603 1221 K N -0.389 120.146 120.400 0.224 0.000 5.203 1221 K HA -0.253 4.067 4.320 -0.000 0.000 0.375 1221 K C -0.699 175.982 176.600 0.135 0.000 1.724 1221 K CA 0.733 57.104 56.287 0.140 0.000 0.812 1221 K CB -1.269 31.288 32.500 0.095 0.000 1.079 1221 K HN -0.004 nan 8.250 nan 0.000 0.516 1222 N N 2.724 121.486 118.700 0.104 0.000 3.124 1222 N HA 0.114 4.853 4.740 -0.000 0.000 0.284 1222 N C -0.898 174.666 175.510 0.089 0.000 1.209 1222 N CA 0.730 53.835 53.050 0.091 0.000 1.149 1222 N CB 0.059 38.587 38.487 0.068 0.000 1.434 1222 N HN 0.519 nan 8.380 nan 0.000 0.529 1223 D N 0.026 120.488 120.400 0.102 0.000 3.137 1223 D HA -0.004 4.636 4.640 -0.000 0.000 0.308 1223 D C -0.732 175.611 176.300 0.071 0.000 1.531 1223 D CA -0.336 53.716 54.000 0.088 0.000 0.899 1223 D CB -0.918 39.938 40.800 0.094 0.000 1.670 1223 D HN 0.165 nan 8.370 nan 0.000 0.425 1224 L N 0.927 122.193 121.223 0.073 0.000 2.845 1224 L HA 0.491 4.831 4.340 -0.000 0.000 0.253 1224 L C -2.071 174.839 176.870 0.066 0.000 0.959 1224 L CA -0.723 54.125 54.840 0.014 0.000 1.001 1224 L CB 1.148 43.113 42.059 -0.156 0.000 1.374 1224 L HN -0.027 nan 8.230 nan 0.000 0.469 1225 F N 5.476 125.394 119.950 -0.053 0.000 2.429 1225 F HA 0.765 5.292 4.527 -0.000 0.000 0.348 1225 F C -0.472 175.285 175.800 -0.071 0.000 1.109 1225 F CA 0.126 58.087 58.000 -0.065 0.000 1.232 1225 F CB 1.018 39.967 39.000 -0.085 0.000 1.157 1225 F HN 0.275 nan 8.300 nan 0.000 0.564 1226 V N 6.576 125.973 119.914 -0.861 0.000 3.049 1226 V HA 0.557 4.677 4.120 -0.000 0.000 0.309 1226 V C -0.274 175.306 176.094 -0.857 0.000 1.148 1226 V CA -0.907 61.042 62.300 -0.584 0.000 0.990 1226 V CB 1.949 33.693 31.823 -0.131 0.000 1.039 1226 V HN 0.724 nan 8.190 nan 0.000 0.430 1227 I N 1.356 121.620 120.570 -0.511 0.000 3.264 1227 I HA 0.794 4.963 4.170 -0.000 0.000 0.315 1227 I C -1.602 174.468 176.117 -0.079 0.000 1.154 1227 I CA -0.655 60.255 61.300 -0.650 0.000 0.962 1227 I CB 2.644 40.304 38.000 -0.567 0.000 1.265 1227 I HN 0.918 nan 8.210 nan 0.000 0.463 1228 W N 0.672 121.895 121.300 -0.129 0.000 3.499 1228 W HA 0.590 5.250 4.660 -0.000 0.000 0.288 1228 W C -0.684 175.849 176.519 0.024 0.000 1.258 1228 W CA -0.822 56.496 57.345 -0.044 0.000 1.203 1228 W CB -0.334 29.100 29.460 -0.043 0.000 1.325 1228 W HN 0.612 nan 8.180 nan 0.000 0.564 1229 S N 0.676 116.540 115.700 0.274 0.000 2.587 1229 S HA 0.496 4.966 4.470 -0.000 0.000 0.252 1229 S C -0.247 174.503 174.600 0.249 0.000 1.282 1229 S CA -0.207 58.105 58.200 0.187 0.000 0.977 1229 S CB 0.588 63.857 63.200 0.114 0.000 1.015 1229 S HN 0.641 nan 8.310 nan 0.000 0.557 1230 E N -0.201 120.090 120.200 0.151 0.000 2.277 1230 E HA 0.261 4.611 4.350 -0.000 0.000 0.266 1230 E C -0.150 176.500 176.600 0.083 0.000 0.901 1230 E CA -0.684 55.797 56.400 0.135 0.000 0.782 1230 E CB 1.317 31.074 29.700 0.095 0.000 1.228 1230 E HN 0.556 nan 8.360 nan 0.000 0.424 1231 D N 1.160 121.599 120.400 0.065 0.000 2.357 1231 D HA -0.182 4.458 4.640 -0.000 0.000 0.216 1231 D C 1.030 177.345 176.300 0.025 0.000 0.973 1231 D CA 0.836 54.856 54.000 0.032 0.000 0.912 1231 D CB 0.237 41.048 40.800 0.018 0.000 0.900 1231 D HN 0.350 nan 8.370 nan 0.000 0.501 1232 N N 1.062 119.780 118.700 0.031 0.000 2.251 1232 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 1232 N C 0.248 175.771 175.510 0.022 0.000 1.019 1232 N CA 0.379 53.442 53.050 0.022 0.000 0.862 1232 N CB 0.261 38.761 38.487 0.022 0.000 0.992 1232 N HN 0.039 nan 8.380 nan 0.000 0.429 1233 D N 1.071 121.489 120.400 0.030 0.000 2.515 1233 D HA -0.137 4.503 4.640 -0.000 0.000 0.230 1233 D C 1.030 177.342 176.300 0.021 0.000 1.181 1233 D CA 0.529 54.546 54.000 0.028 0.000 0.875 1233 D CB 0.544 41.367 40.800 0.038 0.000 1.213 1233 D HN 0.517 nan 8.370 nan 0.000 0.478 1234 E N 0.453 120.664 120.200 0.017 0.000 2.489 1234 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 1234 E C -0.135 176.473 176.600 0.014 0.000 1.057 1234 E CA 0.498 56.906 56.400 0.013 0.000 0.866 1234 E CB 0.321 30.028 29.700 0.011 0.000 0.916 1234 E HN 0.172 nan 8.360 nan 0.000 0.500 1235 K N 1.393 121.804 120.400 0.018 0.000 2.637 1235 K HA 0.329 4.649 4.320 -0.000 0.000 0.248 1235 K C -1.181 175.433 176.600 0.025 0.000 0.971 1235 K CA -0.481 55.817 56.287 0.017 0.000 0.858 1235 K CB 1.957 34.466 32.500 0.014 0.000 1.170 1235 K HN 0.054 nan 8.250 nan 0.000 0.443 1236 L N 5.290 126.526 121.223 0.022 0.000 2.319 1236 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 1236 L C -0.092 176.795 176.870 0.028 0.000 1.099 1236 L CA -0.159 54.698 54.840 0.028 0.000 0.828 1236 L CB 0.188 42.253 42.059 0.010 0.000 1.150 1236 L HN 0.448 nan 8.230 nan 0.000 0.442 1237 I N 4.206 124.806 120.570 0.050 0.000 2.827 1237 I HA 0.438 4.608 4.170 -0.000 0.000 0.298 1237 I C -0.801 175.362 176.117 0.076 0.000 1.235 1237 I CA -0.494 60.830 61.300 0.040 0.000 1.021 1237 I CB 2.985 40.995 38.000 0.016 0.000 1.259 1237 I HN 0.430 nan 8.210 nan 0.000 0.427 1238 I N 4.616 125.217 120.570 0.052 0.000 2.439 1238 I HA 0.449 4.619 4.170 -0.000 0.000 0.283 1238 I C -0.375 175.757 176.117 0.024 0.000 1.023 1238 I CA -0.475 60.871 61.300 0.077 0.000 1.100 1238 I CB 1.512 39.546 38.000 0.057 0.000 1.238 1238 I HN 0.435 nan 8.210 nan 0.000 0.445 1239 R N 4.795 125.297 120.500 0.003 0.000 2.598 1239 R HA 0.879 5.219 4.340 -0.000 0.000 0.279 1239 R C -1.095 175.178 176.300 -0.046 0.000 0.984 1239 R CA -0.541 55.543 56.100 -0.026 0.000 0.999 1239 R CB 1.901 32.180 30.300 -0.035 0.000 1.114 1239 R HN 0.807 nan 8.270 nan 0.000 0.493 1240 C N -0.334 118.955 119.300 -0.018 0.000 3.279 1240 C HA 0.512 4.972 4.460 -0.000 0.000 0.386 1240 C C -0.878 174.131 174.990 0.031 0.000 1.081 1240 C CA -1.382 57.621 59.018 -0.024 0.000 1.192 1240 C CB 1.252 28.945 27.740 -0.078 0.000 1.552 1240 C HN 0.910 nan 8.230 nan 0.000 0.559 1241 R N 1.354 121.899 120.500 0.074 0.000 2.912 1241 R HA 0.892 5.232 4.340 -0.000 0.000 0.262 1241 R C -0.079 176.260 176.300 0.066 0.000 1.057 1241 R CA -0.668 55.487 56.100 0.091 0.000 0.981 1241 R CB 1.699 32.064 30.300 0.108 0.000 1.201 1241 R HN 0.613 nan 8.270 nan 0.000 0.484 1242 V N 0.036 119.992 119.914 0.071 0.000 4.089 1242 V HA 0.533 4.653 4.120 -0.000 0.000 0.267 1242 V C 0.374 176.503 176.094 0.059 0.000 0.997 1242 V CA -0.302 62.028 62.300 0.050 0.000 0.788 1242 V CB 0.814 32.677 31.823 0.066 0.000 1.175 1242 V HN 0.587 nan 8.190 nan 0.000 0.383 1255 E N 0.207 120.457 120.200 0.083 0.000 3.047 1255 E HA -0.126 4.224 4.350 -0.000 0.000 0.202 1255 E C 0.331 176.982 176.600 0.085 0.000 1.286 1255 E CA 0.629 57.076 56.400 0.079 0.000 0.784 1255 E CB -0.953 28.765 29.700 0.030 0.000 1.125 1255 E HN 0.721 nan 8.360 nan 0.000 0.417 1256 E N 0.706 120.975 120.200 0.115 0.000 2.086 1256 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 1256 E C 1.137 177.679 176.600 -0.097 0.000 0.975 1256 E CA 0.635 57.092 56.400 0.095 0.000 0.813 1256 E CB 0.128 30.036 29.700 0.347 0.000 0.768 1256 E HN 0.414 nan 8.360 nan 0.000 0.457 1257 D N 0.679 120.894 120.400 -0.310 0.000 2.104 1257 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 1257 D C 1.950 178.138 176.300 -0.186 0.000 0.994 1257 D CA 1.071 54.805 54.000 -0.443 0.000 0.830 1257 D CB -0.328 40.155 40.800 -0.529 0.000 0.959 1257 D HN 0.228 nan 8.370 nan 0.000 0.452 1258 H N 0.638 119.620 119.070 -0.146 0.000 2.319 1258 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 1258 H C 2.137 177.430 175.328 -0.058 0.000 1.092 1258 H CA 1.202 57.200 56.048 -0.083 0.000 1.302 1258 H CB -0.216 29.517 29.762 -0.048 0.000 1.373 1258 H HN 0.133 nan 8.280 nan 0.000 0.497 1259 M N 0.076 119.760 119.600 0.141 0.000 2.156 1259 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 1259 M C 1.266 177.589 176.300 0.039 0.000 1.067 1259 M CA 0.667 56.025 55.300 0.096 0.000 1.131 1259 M CB 0.027 32.672 32.600 0.075 0.000 1.368 1259 M HN 0.150 nan 8.290 nan 0.000 0.416 1260 L N 1.241 122.461 121.223 -0.005 0.000 2.994 1260 L HA -0.001 4.339 4.340 -0.000 0.000 0.256 1260 L C 0.807 177.648 176.870 -0.048 0.000 1.315 1260 L CA 1.199 56.023 54.840 -0.026 0.000 1.143 1260 L CB -1.060 40.979 42.059 -0.034 0.000 1.530 1260 L HN 0.231 nan 8.230 nan 0.000 0.422 1261 K N -1.614 118.768 120.400 -0.030 0.000 2.620 1261 K HA 0.154 4.474 4.320 -0.000 0.000 0.208 1261 K C 1.605 178.204 176.600 -0.002 0.000 1.582 1261 K CA -0.042 56.220 56.287 -0.042 0.000 1.083 1261 K CB 0.466 32.906 32.500 -0.100 0.000 1.420 1261 K HN 0.191 nan 8.250 nan 0.000 0.582 1262 K N 0.693 121.110 120.400 0.029 0.000 2.288 1262 K HA 0.089 4.409 4.320 -0.000 0.000 0.201 1262 K C 1.495 178.147 176.600 0.087 0.000 1.048 1262 K CA 0.905 57.227 56.287 0.059 0.000 0.956 1262 K CB 0.249 32.798 32.500 0.082 0.000 0.746 1262 K HN 0.157 nan 8.250 nan 0.000 0.461 1263 I N 0.385 121.005 120.570 0.083 0.000 3.427 1263 I HA -0.104 4.066 4.170 -0.000 0.000 0.288 1263 I C 2.225 178.396 176.117 0.091 0.000 1.249 1263 I CA 0.395 61.770 61.300 0.124 0.000 1.421 1263 I CB 0.058 38.071 38.000 0.021 0.000 1.086 1263 I HN 0.114 nan 8.210 nan 0.000 0.448 1264 E N 1.990 122.217 120.200 0.044 0.000 2.077 1264 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 1264 E C 1.767 178.399 176.600 0.053 0.000 0.989 1264 E CA 1.709 58.128 56.400 0.032 0.000 0.800 1264 E CB -0.072 29.631 29.700 0.006 0.000 0.746 1264 E HN 0.358 nan 8.360 nan 0.000 0.452 1265 N N -0.288 118.445 118.700 0.055 0.000 2.148 1265 N HA -0.064 4.675 4.740 -0.000 0.000 0.186 1265 N C 1.733 177.288 175.510 0.075 0.000 1.031 1265 N CA 1.829 54.910 53.050 0.053 0.000 0.848 1265 N CB -0.714 37.796 38.487 0.038 0.000 1.005 1265 N HN 0.223 nan 8.380 nan 0.000 0.427 1266 T N 1.885 116.503 114.554 0.106 0.000 2.836 1266 T HA -0.137 4.212 4.350 -0.000 0.000 0.268 1266 T C 1.905 176.684 174.700 0.133 0.000 1.080 1266 T CA 1.083 63.251 62.100 0.114 0.000 1.128 1266 T CB -0.051 68.930 68.868 0.188 0.000 0.839 1266 T HN 0.241 nan 8.240 nan 0.000 0.507 1267 M N -0.316 119.392 119.600 0.181 0.000 2.248 1267 M HA 0.147 4.627 4.480 -0.000 0.000 0.265 1267 M C 2.125 178.472 176.300 0.077 0.000 1.079 1267 M CA 1.121 56.522 55.300 0.169 0.000 1.150 1267 M CB -0.214 32.482 32.600 0.160 0.000 1.366 1267 M HN 0.236 nan 8.290 nan 0.000 0.433 1268 L N -0.476 120.781 121.223 0.056 0.000 2.109 1268 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 1268 L C 1.246 178.128 176.870 0.020 0.000 1.086 1268 L CA 1.281 56.139 54.840 0.029 0.000 0.760 1268 L CB -0.164 41.910 42.059 0.025 0.000 0.910 1268 L HN 0.332 nan 8.230 nan 0.000 0.437 1269 E N -1.525 118.690 120.200 0.026 0.000 2.676 1269 E HA 0.109 4.458 4.350 -0.000 0.000 0.222 1269 E C 0.256 176.872 176.600 0.027 0.000 0.968 1269 E CA -0.137 56.278 56.400 0.025 0.000 1.090 1269 E CB 0.570 30.285 29.700 0.026 0.000 1.066 1269 E HN 0.301 nan 8.360 nan 0.000 0.496 1270 N N 0.809 119.518 118.700 0.015 0.000 2.235 1270 N HA 0.249 4.989 4.740 -0.000 0.000 0.231 1270 N C -0.676 174.818 175.510 -0.028 0.000 1.177 1270 N CA 0.176 53.223 53.050 -0.004 0.000 0.874 1270 N CB 1.581 40.056 38.487 -0.020 0.000 1.097 1270 N HN 0.117 nan 8.380 nan 0.000 0.518 1271 I N 0.855 121.416 120.570 -0.016 0.000 2.466 1271 I HA 0.219 4.389 4.170 -0.000 0.000 0.289 1271 I C -0.688 175.406 176.117 -0.040 0.000 1.026 1271 I CA -0.217 61.062 61.300 -0.035 0.000 1.078 1271 I CB 1.944 39.931 38.000 -0.022 0.000 1.249 1271 I HN -0.195 nan 8.210 nan 0.000 0.429 1272 T N 6.873 121.405 114.554 -0.036 0.000 2.823 1272 T HA 0.456 4.806 4.350 -0.000 0.000 0.279 1272 T C 0.378 175.035 174.700 -0.071 0.000 0.998 1272 T CA -0.483 61.581 62.100 -0.059 0.000 0.994 1272 T CB 2.138 71.040 68.868 0.058 0.000 0.960 1272 T HN 0.242 nan 8.240 nan 0.000 0.448 1273 L N 1.472 122.629 121.223 -0.109 0.000 2.737 1273 L HA 0.478 4.818 4.340 -0.000 0.000 0.182 1273 L C 0.990 177.820 176.870 -0.066 0.000 1.361 1273 L CA 0.620 55.407 54.840 -0.088 0.000 0.955 1273 L CB -0.365 41.632 42.059 -0.104 0.000 1.267 1273 L HN 0.408 nan 8.230 nan 0.000 0.572 1274 R N -0.550 119.908 120.500 -0.071 0.000 2.460 1274 R HA 0.596 4.936 4.340 -0.000 0.000 0.303 1274 R C -0.608 175.684 176.300 -0.014 0.000 0.968 1274 R CA 0.071 56.148 56.100 -0.039 0.000 0.889 1274 R CB 1.410 31.685 30.300 -0.042 0.000 1.123 1274 R HN 0.485 nan 8.270 nan 0.000 0.455 1275 G N 0.390 109.207 108.800 0.029 0.000 2.392 1275 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.677 1275 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.677 1275 G C -1.594 173.384 174.900 0.128 0.000 1.334 1275 G CA -1.058 44.094 45.100 0.086 0.000 0.961 1275 G HN 0.419 nan 8.290 nan 0.000 0.616 1276 V N 0.615 120.594 119.914 0.109 0.000 2.628 1276 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 1276 V C 0.764 176.832 176.094 -0.044 0.000 1.045 1276 V CA -0.247 62.078 62.300 0.042 0.000 0.905 1276 V CB 1.550 33.380 31.823 0.012 0.000 0.997 1276 V HN 1.219 nan 8.190 nan 0.000 0.436 1277 E N 3.860 123.956 120.200 -0.175 0.000 2.442 1277 E HA 0.073 4.423 4.350 -0.000 0.000 0.260 1277 E C 0.429 176.881 176.600 -0.248 0.000 1.148 1277 E CA 0.190 56.347 56.400 -0.405 0.000 0.976 1277 E CB 0.123 29.633 29.700 -0.316 0.000 0.967 1277 E HN 0.658 nan 8.360 nan 0.000 0.454 1278 N N -0.568 117.968 118.700 -0.273 0.000 2.805 1278 N HA -0.242 4.498 4.740 -0.000 0.000 0.216 1278 N C -0.053 175.410 175.510 -0.078 0.000 0.930 1278 N CA 1.835 54.803 53.050 -0.136 0.000 1.376 1278 N CB -1.438 36.992 38.487 -0.095 0.000 0.939 1278 N HN 0.584 nan 8.380 nan 0.000 0.583 1279 I N 2.710 123.241 120.570 -0.066 0.000 2.581 1279 I HA -0.017 4.153 4.170 -0.000 0.000 0.285 1279 I C 1.353 177.489 176.117 0.031 0.000 1.129 1279 I CA 0.784 62.078 61.300 -0.010 0.000 1.397 1279 I CB 0.433 38.436 38.000 0.006 0.000 1.399 1279 I HN 0.170 nan 8.210 nan 0.000 0.537 1280 E N 5.947 126.163 120.200 0.027 0.000 3.892 1280 E HA 0.349 4.699 4.350 -0.000 0.000 0.327 1280 E C 0.054 176.669 176.600 0.025 0.000 0.690 1280 E CA -0.906 55.520 56.400 0.043 0.000 1.780 1280 E CB 0.360 30.076 29.700 0.028 0.000 2.148 1280 E HN 0.464 nan 8.360 nan 0.000 0.465 1281 R N 0.651 121.147 120.500 -0.008 0.000 2.655 1281 R HA 0.042 4.382 4.340 -0.000 0.000 0.266 1281 R C -0.751 175.553 176.300 0.006 0.000 0.981 1281 R CA 0.311 56.386 56.100 -0.040 0.000 1.098 1281 R CB 0.076 30.332 30.300 -0.073 0.000 0.928 1281 R HN 0.090 nan 8.270 nan 0.000 0.425 1282 V N 3.180 123.119 119.914 0.042 0.000 2.559 1282 V HA 0.169 4.289 4.120 -0.000 0.000 0.289 1282 V C -0.084 176.089 176.094 0.131 0.000 1.036 1282 V CA -0.712 61.634 62.300 0.076 0.000 0.887 1282 V CB 1.682 33.553 31.823 0.080 0.000 1.022 1282 V HN 0.517 nan 8.190 nan 0.000 0.442 1283 V N 4.637 124.605 119.914 0.091 0.000 3.336 1283 V HA 0.603 4.723 4.120 -0.000 0.000 0.314 1283 V C 0.117 176.254 176.094 0.072 0.000 1.088 1283 V CA -0.772 61.597 62.300 0.115 0.000 1.033 1283 V CB 1.989 33.865 31.823 0.089 0.000 1.181 1283 V HN 0.762 nan 8.190 nan 0.000 0.449 1284 M N 1.873 121.528 119.600 0.092 0.000 2.530 1284 M HA 0.647 5.127 4.480 -0.000 0.000 0.307 1284 M C -1.282 175.140 176.300 0.203 0.000 1.161 1284 M CA -0.418 54.957 55.300 0.125 0.000 0.903 1284 M CB 2.193 34.845 32.600 0.086 0.000 1.711 1284 M HN 0.386 nan 8.290 nan 0.000 0.451 1285 M N 1.809 121.504 119.600 0.158 0.000 2.371 1285 M HA 0.369 4.849 4.480 -0.000 0.000 0.287 1285 M C -1.315 174.789 176.300 -0.327 0.000 1.149 1285 M CA -0.554 54.717 55.300 -0.048 0.000 0.929 1285 M CB 2.586 35.048 32.600 -0.231 0.000 1.683 1285 M HN 0.576 nan 8.290 nan 0.000 0.470 1286 K N 2.573 122.680 120.400 -0.488 0.000 2.268 1286 K HA 0.441 4.760 4.320 -0.000 0.000 0.276 1286 K C -1.298 175.211 176.600 -0.152 0.000 1.080 1286 K CA -0.013 55.844 56.287 -0.717 0.000 0.910 1286 K CB 0.673 32.580 32.500 -0.989 0.000 1.163 1286 K HN 0.565 nan 8.250 nan 0.000 0.465 1287 Y N 1.191 121.368 120.300 -0.206 0.000 2.432 1287 Y HA 0.133 4.683 4.550 -0.000 0.000 0.322 1287 Y C 0.492 176.354 175.900 -0.063 0.000 1.246 1287 Y CA -1.275 56.775 58.100 -0.084 0.000 1.268 1287 Y CB 1.272 39.729 38.460 -0.005 0.000 1.276 1287 Y HN 0.415 nan 8.280 nan 0.000 0.499 1288 D N 2.658 123.128 120.400 0.118 0.000 2.456 1288 D HA 0.119 4.759 4.640 -0.000 0.000 0.219 1288 D C -0.460 175.886 176.300 0.078 0.000 1.126 1288 D CA -0.090 53.945 54.000 0.059 0.000 0.890 1288 D CB 0.722 41.535 40.800 0.021 0.000 1.025 1288 D HN 0.300 nan 8.370 nan 0.000 0.511 1289 R N 2.769 123.327 120.500 0.097 0.000 2.310 1289 R HA 0.198 4.538 4.340 -0.000 0.000 0.324 1289 R C -0.142 176.207 176.300 0.081 0.000 0.955 1289 R CA -0.650 55.513 56.100 0.104 0.000 0.830 1289 R CB 0.973 31.350 30.300 0.130 0.000 1.154 1289 R HN 0.112 nan 8.270 nan 0.000 0.458 1290 K N 2.361 122.823 120.400 0.104 0.000 2.258 1290 K HA 0.353 4.673 4.320 -0.000 0.000 0.264 1290 K C -0.675 175.963 176.600 0.063 0.000 1.007 1290 K CA -0.386 55.981 56.287 0.134 0.000 0.941 1290 K CB 1.550 34.198 32.500 0.248 0.000 0.966 1290 K HN 0.253 nan 8.250 nan 0.000 0.480 1291 V N 2.535 122.407 119.914 -0.070 0.000 3.236 1291 V HA 0.138 4.258 4.120 -0.000 0.000 0.287 1291 V C -2.658 173.129 176.094 -0.512 0.000 1.491 1291 V CA -1.775 60.338 62.300 -0.312 0.000 1.037 1291 V CB 2.451 34.185 31.823 -0.149 0.000 1.160 1291 V HN 0.607 nan 8.190 nan 0.000 0.453 1292 P HA 0.123 nan 4.420 nan 0.000 0.263 1292 P C -0.242 176.930 177.300 -0.213 0.000 1.247 1292 P CA 0.648 63.464 63.100 -0.474 0.000 0.876 1292 P CB 0.359 31.838 31.700 -0.368 0.000 0.928 1293 S N 5.569 121.188 115.700 -0.135 0.000 2.576 1293 S HA 0.119 4.589 4.470 -0.000 0.000 0.272 1293 S C -0.744 173.825 174.600 -0.051 0.000 1.352 1293 S CA -1.232 56.931 58.200 -0.063 0.000 1.021 1293 S CB -0.104 63.084 63.200 -0.020 0.000 0.887 1293 S HN 0.323 nan 8.310 nan 0.000 0.542 1294 P HA -0.080 nan 4.420 nan 0.000 0.220 1294 P C 1.294 178.589 177.300 -0.008 0.000 1.148 1294 P CA 1.291 64.377 63.100 -0.023 0.000 0.803 1294 P CB -0.374 31.317 31.700 -0.013 0.000 0.782 1295 T N -2.715 111.840 114.554 0.001 0.000 3.113 1295 T HA 0.204 4.554 4.350 -0.000 0.000 0.263 1295 T C 1.441 176.157 174.700 0.027 0.000 1.143 1295 T CA 1.590 63.701 62.100 0.018 0.000 1.090 1295 T CB -0.733 68.150 68.868 0.024 0.000 0.922 1295 T HN 0.319 nan 8.240 nan 0.000 0.521 1296 G N 0.596 109.404 108.800 0.013 0.000 2.493 1296 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.206 1296 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.206 1296 G C 0.002 174.938 174.900 0.059 0.000 1.109 1296 G CA -0.042 45.073 45.100 0.025 0.000 0.689 1296 G HN 0.648 nan 8.290 nan 0.000 0.516 1297 E N -0.260 119.982 120.200 0.070 0.000 2.478 1297 E HA 0.370 4.720 4.350 -0.000 0.000 0.262 1297 E C -0.595 176.094 176.600 0.148 0.000 1.243 1297 E CA 0.226 56.695 56.400 0.115 0.000 1.039 1297 E CB 0.444 30.192 29.700 0.081 0.000 0.983 1297 E HN 0.350 nan 8.360 nan 0.000 0.479 1298 Y N -0.384 119.919 120.300 0.006 0.000 2.364 1298 Y HA 0.424 4.974 4.550 -0.000 0.000 0.340 1298 Y C -0.431 175.476 175.900 0.012 0.000 0.975 1298 Y CA -0.536 57.568 58.100 0.008 0.000 1.089 1298 Y CB 1.427 39.893 38.460 0.011 0.000 1.192 1298 Y HN 0.174 nan 8.280 nan 0.000 0.454 1299 V N 2.399 122.358 119.914 0.075 0.000 3.159 1299 V HA 0.335 4.455 4.120 -0.000 0.000 0.308 1299 V C -0.931 175.190 176.094 0.046 0.000 1.190 1299 V CA -2.039 60.300 62.300 0.065 0.000 1.037 1299 V CB 2.283 34.127 31.823 0.036 0.000 1.060 1299 V HN 0.507 nan 8.190 nan 0.000 0.437 1300 K N 1.979 122.406 120.400 0.045 0.000 2.062 1300 K HA 0.089 4.409 4.320 -0.000 0.000 0.251 1300 K C 0.099 176.711 176.600 0.020 0.000 1.113 1300 K CA 0.407 56.715 56.287 0.035 0.000 1.096 1300 K CB 0.071 32.588 32.500 0.029 0.000 1.099 1300 K HN 0.624 nan 8.250 nan 0.000 0.350 1301 E N 4.649 124.860 120.200 0.018 0.000 2.884 1301 E HA 0.108 4.458 4.350 -0.000 0.000 0.221 1301 E C -2.055 174.554 176.600 0.015 0.000 1.137 1301 E CA -2.213 54.194 56.400 0.011 0.000 1.160 1301 E CB 0.407 30.108 29.700 0.001 0.000 1.385 1301 E HN 0.321 nan 8.360 nan 0.000 0.442 1302 P HA -0.133 nan 4.420 nan 0.000 0.271 1302 P C -0.731 176.549 177.300 -0.033 0.000 1.212 1302 P CA 0.652 63.735 63.100 -0.029 0.000 0.788 1302 P CB 0.489 32.132 31.700 -0.095 0.000 0.865 1303 E N -0.999 119.163 120.200 -0.064 0.000 2.363 1303 E HA 0.380 4.730 4.350 -0.000 0.000 0.281 1303 E C -1.571 174.955 176.600 -0.123 0.000 0.953 1303 E CA -0.963 55.425 56.400 -0.020 0.000 0.778 1303 E CB 0.345 30.106 29.700 0.103 0.000 1.220 1303 E HN 0.266 nan 8.360 nan 0.000 0.431 1304 W N 1.850 123.140 121.300 -0.018 0.000 2.202 1304 W HA 0.510 5.170 4.660 -0.000 0.000 0.332 1304 W C -0.372 176.050 176.519 -0.161 0.000 1.263 1304 W CA -0.090 57.196 57.345 -0.098 0.000 1.223 1304 W CB 1.289 30.710 29.460 -0.064 0.000 1.128 1304 W HN 0.322 nan 8.180 nan 0.000 0.573 1305 V N 3.569 123.429 119.914 -0.089 0.000 3.049 1305 V HA 0.392 4.512 4.120 -0.000 0.000 0.309 1305 V C -0.466 175.503 176.094 -0.208 0.000 1.148 1305 V CA -1.358 60.791 62.300 -0.251 0.000 0.990 1305 V CB 1.959 33.413 31.823 -0.615 0.000 1.039 1305 V HN 0.285 nan 8.190 nan 0.000 0.430 1306 L N 2.644 123.772 121.223 -0.159 0.000 2.275 1306 L HA 0.553 4.892 4.340 -0.000 0.000 0.288 1306 L C -0.015 176.803 176.870 -0.087 0.000 1.046 1306 L CA -0.223 54.566 54.840 -0.086 0.000 0.805 1306 L CB 1.175 43.214 42.059 -0.034 0.000 1.193 1306 L HN 0.664 nan 8.230 nan 0.000 0.426 1307 E N 1.868 122.043 120.200 -0.040 0.000 2.158 1307 E HA 0.296 4.646 4.350 -0.000 0.000 0.271 1307 E C -0.511 176.097 176.600 0.013 0.000 0.911 1307 E CA -0.366 56.033 56.400 -0.002 0.000 0.767 1307 E CB 2.609 32.326 29.700 0.029 0.000 1.120 1307 E HN 0.475 nan 8.360 nan 0.000 0.405 1308 T N 0.606 115.168 114.554 0.014 0.000 2.924 1308 T HA 0.117 4.467 4.350 -0.000 0.000 0.301 1308 T C -0.110 174.597 174.700 0.011 0.000 1.120 1308 T CA -0.129 61.979 62.100 0.013 0.000 0.940 1308 T CB 0.531 69.404 68.868 0.008 0.000 1.591 1308 T HN 0.462 nan 8.240 nan 0.000 0.578 1309 D N -0.694 119.709 120.400 0.005 0.000 2.969 1309 D HA 0.295 4.934 4.640 -0.000 0.000 0.317 1309 D C -0.209 176.089 176.300 -0.005 0.000 1.650 1309 D CA -0.009 53.992 54.000 0.001 0.000 0.789 1309 D CB 0.088 40.888 40.800 -0.001 0.000 1.277 1309 D HN 0.749 nan 8.370 nan 0.000 0.463 1310 G N -0.691 108.103 108.800 -0.009 0.000 2.550 1310 G HA2 0.483 4.443 3.960 -0.000 0.000 0.293 1310 G HA3 0.483 4.443 3.960 -0.000 0.000 0.293 1310 G C -1.714 173.172 174.900 -0.023 0.000 1.402 1310 G CA -0.360 44.728 45.100 -0.019 0.000 0.784 1310 G HN -0.027 nan 8.290 nan 0.000 0.482 1311 V N 1.705 121.600 119.914 -0.032 0.000 2.568 1311 V HA 0.444 4.563 4.120 -0.000 0.000 0.276 1311 V C -0.911 175.162 176.094 -0.036 0.000 1.002 1311 V CA -1.001 61.279 62.300 -0.034 0.000 0.879 1311 V CB 1.397 33.196 31.823 -0.040 0.000 1.040 1311 V HN 0.712 nan 8.190 nan 0.000 0.457 1312 N N 4.022 122.705 118.700 -0.029 0.000 2.623 1312 N HA 0.287 5.027 4.740 -0.000 0.000 0.256 1312 N C 0.196 175.699 175.510 -0.013 0.000 1.045 1312 N CA -0.419 52.614 53.050 -0.027 0.000 0.863 1312 N CB 2.021 40.487 38.487 -0.035 0.000 1.182 1312 N HN 0.499 nan 8.380 nan 0.000 0.523 1313 L N 3.825 125.043 121.223 -0.009 0.000 1.971 1313 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 1313 L C 2.382 179.260 176.870 0.013 0.000 1.083 1313 L CA 2.150 56.995 54.840 0.007 0.000 0.753 1313 L CB -1.193 40.872 42.059 0.010 0.000 0.893 1313 L HN 0.700 nan 8.230 nan 0.000 0.436 1314 S N -1.151 114.554 115.700 0.009 0.000 2.453 1314 S HA -0.293 4.177 4.470 -0.000 0.000 0.250 1314 S C 1.510 176.116 174.600 0.011 0.000 1.044 1314 S CA 1.939 60.146 58.200 0.010 0.000 1.010 1314 S CB -0.733 62.469 63.200 0.004 0.000 0.793 1314 S HN 0.732 nan 8.310 nan 0.000 0.493 1315 E N 0.192 120.396 120.200 0.007 0.000 2.228 1315 E HA 0.137 4.487 4.350 -0.000 0.000 0.197 1315 E C 1.789 178.398 176.600 0.014 0.000 0.909 1315 E CA 0.682 57.087 56.400 0.008 0.000 0.911 1315 E CB -0.055 29.645 29.700 -0.000 0.000 0.887 1315 E HN 0.423 nan 8.360 nan 0.000 0.481 1316 V N 1.885 121.808 119.914 0.015 0.000 3.330 1316 V HA -0.136 3.984 4.120 -0.000 0.000 0.273 1316 V C 1.988 178.103 176.094 0.035 0.000 1.179 1316 V CA 1.166 63.480 62.300 0.023 0.000 1.174 1316 V CB -0.560 31.276 31.823 0.022 0.000 0.794 1316 V HN 0.264 nan 8.190 nan 0.000 0.527 1317 M N 0.719 120.341 119.600 0.036 0.000 2.552 1317 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 1317 M C 2.220 178.544 176.300 0.040 0.000 1.159 1317 M CA 1.543 56.870 55.300 0.046 0.000 1.176 1317 M CB 0.120 32.747 32.600 0.046 0.000 1.327 1317 M HN 0.542 nan 8.290 nan 0.000 0.481 1318 T N -1.041 113.530 114.554 0.030 0.000 3.227 1318 T HA 0.115 4.465 4.350 -0.000 0.000 0.257 1318 T C 0.396 175.111 174.700 0.025 0.000 1.162 1318 T CA -0.137 61.978 62.100 0.025 0.000 1.051 1318 T CB -0.963 67.916 68.868 0.019 0.000 0.953 1318 T HN 0.073 nan 8.240 nan 0.000 0.535 1319 V N 4.275 124.206 119.914 0.028 0.000 2.583 1319 V HA 0.307 4.427 4.120 -0.000 0.000 0.287 1319 V C -1.815 174.296 176.094 0.028 0.000 1.051 1319 V CA -2.059 60.255 62.300 0.025 0.000 1.010 1319 V CB 0.945 32.782 31.823 0.024 0.000 0.988 1319 V HN 0.370 nan 8.190 nan 0.000 0.478 1320 P HA 0.287 nan 4.420 nan 0.000 0.275 1320 P C 0.582 177.895 177.300 0.022 0.000 1.276 1320 P CA 0.628 63.742 63.100 0.023 0.000 0.782 1320 P CB 0.929 32.637 31.700 0.013 0.000 0.851 1321 G N 3.256 112.082 108.800 0.043 0.000 2.485 1321 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.181 1321 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.181 1321 G C 0.067 175.017 174.900 0.083 0.000 0.999 1321 G CA 0.021 45.152 45.100 0.051 0.000 0.721 1321 G HN 0.613 nan 8.290 nan 0.000 0.486 1322 I N -1.997 118.622 120.570 0.081 0.000 3.076 1322 I HA 0.771 4.941 4.170 -0.000 0.000 0.313 1322 I C -0.902 175.279 176.117 0.106 0.000 1.053 1322 I CA -1.089 60.272 61.300 0.103 0.000 1.048 1322 I CB 1.820 39.877 38.000 0.094 0.000 1.264 1322 I HN -0.108 nan 8.210 nan 0.000 0.498 1323 D N 3.833 124.309 120.400 0.127 0.000 2.505 1323 D HA 0.272 4.912 4.640 -0.000 0.000 0.242 1323 D C -1.828 174.526 176.300 0.091 0.000 1.136 1323 D CA -1.927 52.131 54.000 0.098 0.000 0.954 1323 D CB 0.924 41.781 40.800 0.095 0.000 1.002 1323 D HN 0.364 nan 8.370 nan 0.000 0.512 1324 P HA -0.058 nan 4.420 nan 0.000 0.261 1324 P C 0.658 177.993 177.300 0.058 0.000 1.288 1324 P CA 0.547 63.688 63.100 0.068 0.000 0.751 1324 P CB 0.247 31.979 31.700 0.053 0.000 1.103 1325 T N -1.194 113.389 114.554 0.048 0.000 2.964 1325 T HA 0.171 4.521 4.350 -0.000 0.000 0.249 1325 T C 1.588 176.294 174.700 0.011 0.000 1.000 1325 T CA 0.207 62.321 62.100 0.022 0.000 0.992 1325 T CB 0.255 69.122 68.868 -0.002 0.000 1.087 1325 T HN 0.206 nan 8.240 nan 0.000 0.489 1326 R N 0.476 120.981 120.500 0.009 0.000 2.365 1326 R HA 0.421 4.761 4.340 -0.000 0.000 0.223 1326 R C 0.634 177.026 176.300 0.153 0.000 0.899 1326 R CA -0.197 55.865 56.100 -0.064 0.000 1.059 1326 R CB 0.455 30.540 30.300 -0.359 0.000 1.086 1326 R HN 0.329 nan 8.270 nan 0.000 0.522 1327 I N 1.672 122.382 120.570 0.233 0.000 2.752 1327 I HA -0.130 4.040 4.170 -0.000 0.000 0.289 1327 I C -0.948 175.376 176.117 0.346 0.000 1.197 1327 I CA 0.463 61.946 61.300 0.306 0.000 1.432 1327 I CB 0.215 38.331 38.000 0.192 0.000 1.359 1327 I HN 0.016 nan 8.210 nan 0.000 0.571 1328 Y N 6.218 126.649 120.300 0.219 0.000 2.457 1328 Y HA 0.461 5.011 4.550 -0.000 0.000 0.343 1328 Y C -0.921 175.065 175.900 0.144 0.000 0.994 1328 Y CA -0.716 57.491 58.100 0.179 0.000 1.031 1328 Y CB 1.984 40.574 38.460 0.218 0.000 1.246 1328 Y HN 0.492 nan 8.280 nan 0.000 0.449 1329 T N 5.655 119.836 114.554 -0.623 0.000 2.840 1329 T HA 0.153 4.503 4.350 -0.000 0.000 0.287 1329 T C 0.563 174.796 174.700 -0.777 0.000 0.991 1329 T CA -0.657 61.131 62.100 -0.521 0.000 0.964 1329 T CB 0.566 69.317 68.868 -0.194 0.000 0.954 1329 T HN 0.773 nan 8.240 nan 0.000 0.438 1330 N N 1.914 120.281 118.700 -0.555 0.000 2.430 1330 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 1330 N C 0.927 176.471 175.510 0.058 0.000 1.032 1330 N CA 0.465 53.374 53.050 -0.234 0.000 0.893 1330 N CB 0.021 38.494 38.487 -0.023 0.000 0.957 1330 N HN 0.343 nan 8.380 nan 0.000 0.442 1331 S N 0.211 115.907 115.700 -0.008 0.000 3.065 1331 S HA 0.123 4.593 4.470 -0.000 0.000 0.311 1331 S C 0.732 175.369 174.600 0.061 0.000 1.204 1331 S CA -0.930 57.295 58.200 0.043 0.000 1.040 1331 S CB -1.185 61.979 63.200 -0.060 0.000 1.436 1331 S HN 0.385 nan 8.310 nan 0.000 0.532 1332 F N 3.137 123.088 119.950 0.002 0.000 2.216 1332 F HA -0.019 4.508 4.527 -0.000 0.000 0.300 1332 F C 1.826 177.651 175.800 0.040 0.000 1.085 1332 F CA 0.202 58.232 58.000 0.050 0.000 1.326 1332 F CB -0.451 38.602 39.000 0.087 0.000 1.027 1332 F HN 0.430 nan 8.300 nan 0.000 0.497 1333 I N 1.879 122.037 120.570 -0.687 0.000 2.185 1333 I HA -0.288 3.882 4.170 -0.000 0.000 0.246 1333 I C 1.929 177.938 176.117 -0.181 0.000 1.088 1333 I CA 1.760 62.772 61.300 -0.479 0.000 1.347 1333 I CB -0.869 36.822 38.000 -0.515 0.000 1.041 1333 I HN 0.277 nan 8.210 nan 0.000 0.415 1334 D N 0.319 120.640 120.400 -0.131 0.000 2.087 1334 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 1334 D C 2.253 178.552 176.300 -0.003 0.000 0.980 1334 D CA 0.907 54.873 54.000 -0.056 0.000 0.849 1334 D CB -0.295 40.475 40.800 -0.051 0.000 1.001 1334 D HN 0.277 nan 8.370 nan 0.000 0.452 1335 I N 1.333 121.923 120.570 0.034 0.000 2.358 1335 I HA -0.301 3.869 4.170 -0.000 0.000 0.257 1335 I C 2.407 178.579 176.117 0.092 0.000 1.123 1335 I CA 0.878 62.232 61.300 0.090 0.000 1.393 1335 I CB -0.183 37.917 38.000 0.166 0.000 1.073 1335 I HN 0.120 nan 8.210 nan 0.000 0.437 1336 M N 0.352 119.997 119.600 0.075 0.000 2.287 1336 M HA -0.134 4.346 4.480 -0.000 0.000 0.266 1336 M C 1.936 178.261 176.300 0.042 0.000 1.079 1336 M CA 1.741 57.084 55.300 0.072 0.000 1.146 1336 M CB -0.208 32.434 32.600 0.071 0.000 1.374 1336 M HN 0.219 nan 8.290 nan 0.000 0.435 1337 E N -0.606 119.606 120.200 0.019 0.000 2.152 1337 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 1337 E C 1.955 178.565 176.600 0.017 0.000 0.983 1337 E CA 1.055 57.462 56.400 0.010 0.000 0.818 1337 E CB 0.182 29.877 29.700 -0.009 0.000 0.758 1337 E HN 0.363 nan 8.360 nan 0.000 0.467 1338 V N 0.961 120.889 119.914 0.024 0.000 2.391 1338 V HA -0.099 4.021 4.120 -0.000 0.000 0.237 1338 V C 2.110 178.227 176.094 0.038 0.000 1.046 1338 V CA 0.886 63.203 62.300 0.028 0.000 1.053 1338 V CB -0.289 31.552 31.823 0.030 0.000 0.704 1338 V HN 0.180 nan 8.190 nan 0.000 0.475 1339 L N 0.435 121.689 121.223 0.052 0.000 2.478 1339 L HA 0.354 4.694 4.340 -0.000 0.000 0.223 1339 L C 1.025 177.927 176.870 0.053 0.000 1.140 1339 L CA 0.849 55.723 54.840 0.057 0.000 0.842 1339 L CB -0.611 41.494 42.059 0.077 0.000 0.953 1339 L HN 0.623 nan 8.230 nan 0.000 0.452 1340 G N -0.180 108.651 108.800 0.053 0.000 2.788 1340 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.686 1340 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.686 1340 G C 0.333 175.271 174.900 0.064 0.000 1.147 1340 G CA -0.202 44.929 45.100 0.051 0.000 0.755 1340 G HN 0.059 nan 8.290 nan 0.000 0.634 1341 I N 0.570 121.178 120.570 0.062 0.000 2.132 1341 I HA -0.295 3.875 4.170 -0.000 0.000 0.238 1341 I C 2.628 178.793 176.117 0.080 0.000 1.012 1341 I CA 2.647 63.991 61.300 0.074 0.000 1.288 1341 I CB -0.013 38.027 38.000 0.066 0.000 0.997 1341 I HN 0.796 nan 8.210 nan 0.000 0.402 1342 E N 0.698 120.937 120.200 0.066 0.000 2.086 1342 E HA -0.314 4.036 4.350 -0.000 0.000 0.205 1342 E C 2.071 178.710 176.600 0.066 0.000 1.027 1342 E CA 1.894 58.329 56.400 0.059 0.000 0.830 1342 E CB -0.536 29.191 29.700 0.045 0.000 0.751 1342 E HN 0.722 nan 8.360 nan 0.000 0.456 1343 A N 0.364 123.226 122.820 0.070 0.000 2.066 1343 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 1343 A C 2.348 180.007 177.584 0.126 0.000 1.157 1343 A CA 1.567 53.654 52.037 0.084 0.000 0.670 1343 A CB -0.580 18.469 19.000 0.080 0.000 0.804 1343 A HN 0.324 nan 8.150 nan 0.000 0.453 1344 G N -0.461 108.417 108.800 0.130 0.000 2.394 1344 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.214 1344 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.214 1344 G C 1.691 176.702 174.900 0.186 0.000 1.176 1344 G CA 0.780 45.987 45.100 0.177 0.000 0.786 1344 G HN 0.503 nan 8.290 nan 0.000 0.533 1345 R N 0.601 121.184 120.500 0.138 0.000 2.113 1345 R HA -0.154 4.186 4.340 -0.000 0.000 0.244 1345 R C 2.853 179.231 176.300 0.129 0.000 1.142 1345 R CA 1.691 57.862 56.100 0.119 0.000 0.953 1345 R CB -0.488 29.858 30.300 0.076 0.000 0.860 1345 R HN 0.290 nan 8.270 nan 0.000 0.438 1346 A N 0.703 123.591 122.820 0.114 0.000 1.869 1346 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 1346 A C 2.367 180.055 177.584 0.174 0.000 1.203 1346 A CA 2.381 54.487 52.037 0.117 0.000 0.638 1346 A CB -1.142 17.909 19.000 0.084 0.000 0.831 1346 A HN 0.599 nan 8.150 nan 0.000 0.450 1347 A N -0.639 122.310 122.820 0.215 0.000 1.834 1347 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 1347 A C 2.150 179.820 177.584 0.143 0.000 1.203 1347 A CA 2.004 54.221 52.037 0.298 0.000 0.621 1347 A CB -1.052 18.197 19.000 0.414 0.000 0.841 1347 A HN 1.014 nan 8.150 nan 0.000 0.446 1348 L N -1.371 119.891 121.223 0.065 0.000 2.030 1348 L HA -0.283 4.057 4.340 -0.000 0.000 0.222 1348 L C 2.335 179.134 176.870 -0.118 0.000 1.082 1348 L CA 3.038 57.747 54.840 -0.219 0.000 0.785 1348 L CB -1.141 40.899 42.059 -0.032 0.000 0.895 1348 L HN 0.579 nan 8.230 nan 0.000 0.439 1349 Y N 0.331 120.584 120.300 -0.078 0.000 2.089 1349 Y HA -0.297 4.253 4.550 -0.000 0.000 0.282 1349 Y C 2.773 178.669 175.900 -0.007 0.000 1.139 1349 Y CA 2.511 60.569 58.100 -0.069 0.000 1.123 1349 Y CB -0.493 37.906 38.460 -0.102 0.000 0.980 1349 Y HN 0.268 nan 8.280 nan 0.000 0.493 1350 K N -0.152 120.291 120.400 0.072 0.000 2.127 1350 K HA -0.325 3.995 4.320 -0.000 0.000 0.208 1350 K C 2.012 178.606 176.600 -0.009 0.000 1.047 1350 K CA 2.123 58.421 56.287 0.018 0.000 0.927 1350 K CB -0.203 32.328 32.500 0.053 0.000 0.716 1350 K HN 0.362 nan 8.250 nan 0.000 0.450 1351 E N -0.032 120.152 120.200 -0.028 0.000 2.028 1351 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 1351 E C 1.846 178.368 176.600 -0.130 0.000 0.984 1351 E CA 1.208 57.578 56.400 -0.049 0.000 0.800 1351 E CB -0.074 29.539 29.700 -0.144 0.000 0.758 1351 E HN 0.104 nan 8.360 nan 0.000 0.448 1352 V N 0.856 120.646 119.914 -0.206 0.000 2.324 1352 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 1352 V C 2.158 178.137 176.094 -0.193 0.000 1.060 1352 V CA 2.175 64.359 62.300 -0.193 0.000 1.042 1352 V CB -0.807 30.902 31.823 -0.190 0.000 0.650 1352 V HN 0.396 nan 8.190 nan 0.000 0.450 1353 Y N 1.954 121.987 120.300 -0.445 0.000 2.081 1353 Y HA -0.286 4.264 4.550 -0.000 0.000 0.280 1353 Y C 2.483 178.276 175.900 -0.178 0.000 1.163 1353 Y CA 2.114 59.983 58.100 -0.386 0.000 1.135 1353 Y CB -0.718 37.400 38.460 -0.571 0.000 0.970 1353 Y HN 0.277 nan 8.280 nan 0.000 0.498 1354 N N -0.049 118.477 118.700 -0.290 0.000 2.430 1354 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 1354 N C 1.617 176.988 175.510 -0.231 0.000 1.032 1354 N CA 1.471 54.343 53.050 -0.296 0.000 0.893 1354 N CB -0.040 38.403 38.487 -0.073 0.000 0.957 1354 N HN 0.325 nan 8.380 nan 0.000 0.442 1355 V N 0.729 120.531 119.914 -0.186 0.000 3.461 1355 V HA 0.019 4.138 4.120 -0.000 0.000 0.267 1355 V C 1.820 177.831 176.094 -0.138 0.000 1.186 1355 V CA 0.769 62.992 62.300 -0.128 0.000 1.154 1355 V CB -0.076 31.691 31.823 -0.093 0.000 0.802 1355 V HN 0.235 nan 8.190 nan 0.000 0.474 1356 I N -0.374 120.076 120.570 -0.201 0.000 3.939 1356 I HA 0.166 4.335 4.170 -0.000 0.000 0.313 1356 I C 2.374 178.370 176.117 -0.201 0.000 1.274 1356 I CA 0.824 62.029 61.300 -0.158 0.000 1.301 1356 I CB -0.029 37.904 38.000 -0.111 0.000 1.105 1356 I HN 0.212 nan 8.210 nan 0.000 0.427 1357 A N 1.135 123.738 122.820 -0.361 0.000 1.898 1357 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 1357 A C 2.392 179.860 177.584 -0.192 0.000 1.183 1357 A CA 1.549 53.371 52.037 -0.359 0.000 0.622 1357 A CB -0.630 17.988 19.000 -0.636 0.000 0.824 1357 A HN 0.439 nan 8.150 nan 0.000 0.444 1358 S N -0.548 115.053 115.700 -0.166 0.000 2.493 1358 S HA -0.145 4.325 4.470 -0.000 0.000 0.243 1358 S C 1.111 175.669 174.600 -0.070 0.000 0.991 1358 S CA 1.427 59.569 58.200 -0.097 0.000 0.957 1358 S CB -0.227 62.926 63.200 -0.079 0.000 0.756 1358 S HN 0.524 nan 8.310 nan 0.000 0.521 1359 D N 0.611 120.966 120.400 -0.075 0.000 2.398 1359 D HA 0.231 4.871 4.640 -0.000 0.000 0.210 1359 D C 1.274 177.554 176.300 -0.033 0.000 1.094 1359 D CA 0.610 54.581 54.000 -0.047 0.000 0.839 1359 D CB 0.410 41.184 40.800 -0.045 0.000 0.963 1359 D HN 0.554 nan 8.370 nan 0.000 0.506 1360 G N 1.100 109.875 108.800 -0.041 0.000 2.153 1360 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.252 1360 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.252 1360 G C 0.460 175.365 174.900 0.009 0.000 0.994 1360 G CA 0.641 45.730 45.100 -0.019 0.000 0.698 1360 G HN 0.316 nan 8.290 nan 0.000 0.521 1361 S N -0.941 114.764 115.700 0.008 0.000 2.713 1361 S HA 0.767 5.237 4.470 -0.000 0.000 0.277 1361 S C -0.642 174.049 174.600 0.151 0.000 1.168 1361 S CA -0.388 57.846 58.200 0.056 0.000 0.994 1361 S CB 1.728 64.942 63.200 0.023 0.000 1.054 1361 S HN 0.896 nan 8.310 nan 0.000 0.555 1362 Y N 0.427 120.739 120.300 0.021 0.000 2.433 1362 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 1362 Y C -1.774 174.187 175.900 0.102 0.000 1.026 1362 Y CA -1.562 56.578 58.100 0.068 0.000 1.037 1362 Y CB 0.694 39.193 38.460 0.065 0.000 1.245 1362 Y HN 0.350 nan 8.280 nan 0.000 0.443 1363 V N 6.434 126.577 119.914 0.381 0.000 2.531 1363 V HA 0.293 4.413 4.120 -0.000 0.000 0.301 1363 V C -0.211 176.034 176.094 0.251 0.000 1.034 1363 V CA -1.212 61.187 62.300 0.165 0.000 0.865 1363 V CB 1.771 33.727 31.823 0.221 0.000 0.995 1363 V HN 0.829 nan 8.190 nan 0.000 0.424 1364 N N 3.507 122.236 118.700 0.047 0.000 2.416 1364 N HA 0.033 4.773 4.740 -0.000 0.000 0.271 1364 N C 1.057 176.679 175.510 0.186 0.000 1.245 1364 N CA -0.055 53.073 53.050 0.131 0.000 0.940 1364 N CB 0.209 38.662 38.487 -0.057 0.000 1.175 1364 N HN 0.737 nan 8.380 nan 0.000 0.483 1365 Y N 4.785 125.215 120.300 0.217 0.000 1.837 1365 Y HA -0.552 3.998 4.550 -0.000 0.000 0.148 1365 Y C 2.159 178.088 175.900 0.048 0.000 1.041 1365 Y CA 3.194 61.400 58.100 0.176 0.000 0.733 1365 Y CB -0.562 37.933 38.460 0.058 0.000 0.619 1365 Y HN 0.720 nan 8.280 nan 0.000 0.645 1366 R N -1.424 119.191 120.500 0.191 0.000 2.335 1366 R HA -0.354 3.986 4.340 -0.000 0.000 0.263 1366 R C 1.767 178.030 176.300 -0.061 0.000 1.110 1366 R CA 2.264 58.331 56.100 -0.053 0.000 0.973 1366 R CB -1.568 28.512 30.300 -0.367 0.000 0.915 1366 R HN 0.637 nan 8.270 nan 0.000 0.466 1367 H N 0.617 119.754 119.070 0.112 0.000 2.276 1367 H HA 0.021 4.577 4.556 -0.000 0.000 0.301 1367 H C 2.367 177.730 175.328 0.058 0.000 1.073 1367 H CA 1.939 58.041 56.048 0.091 0.000 1.311 1367 H CB -0.413 29.392 29.762 0.072 0.000 1.379 1367 H HN 0.293 nan 8.280 nan 0.000 0.494 1368 M N 0.218 119.943 119.600 0.208 0.000 2.159 1368 M HA -0.079 4.401 4.480 -0.000 0.000 0.263 1368 M C 2.738 179.111 176.300 0.123 0.000 1.063 1368 M CA 1.315 56.715 55.300 0.167 0.000 1.110 1368 M CB -0.279 32.449 32.600 0.212 0.000 1.374 1368 M HN 0.230 nan 8.290 nan 0.000 0.411 1369 A N 0.928 123.690 122.820 -0.096 0.000 1.851 1369 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 1369 A C 2.127 179.669 177.584 -0.070 0.000 1.195 1369 A CA 1.684 53.532 52.037 -0.316 0.000 0.622 1369 A CB -1.050 17.559 19.000 -0.651 0.000 0.831 1369 A HN 0.434 nan 8.150 nan 0.000 0.444 1370 L N -0.433 120.794 121.223 0.007 0.000 1.997 1370 L HA -0.221 4.119 4.340 -0.000 0.000 0.216 1370 L C 2.325 179.211 176.870 0.026 0.000 1.074 1370 L CA 2.653 57.523 54.840 0.050 0.000 0.763 1370 L CB -0.880 41.248 42.059 0.116 0.000 0.890 1370 L HN 0.428 nan 8.230 nan 0.000 0.434 1371 L N -1.163 120.080 121.223 0.033 0.000 1.989 1371 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 1371 L C 2.500 179.383 176.870 0.022 0.000 1.071 1371 L CA 2.073 56.921 54.840 0.013 0.000 0.749 1371 L CB -1.066 41.000 42.059 0.011 0.000 0.890 1371 L HN 0.138 nan 8.230 nan 0.000 0.431 1372 V N 0.204 120.142 119.914 0.041 0.000 2.324 1372 V HA -0.350 3.770 4.120 -0.000 0.000 0.250 1372 V C 2.307 178.426 176.094 0.042 0.000 1.060 1372 V CA 2.397 64.730 62.300 0.054 0.000 1.042 1372 V CB -0.622 31.262 31.823 0.102 0.000 0.650 1372 V HN 0.607 nan 8.190 nan 0.000 0.450 1373 D N -0.569 119.842 120.400 0.019 0.000 2.117 1373 D HA -0.111 4.528 4.640 -0.000 0.000 0.198 1373 D C 2.125 178.435 176.300 0.017 0.000 0.982 1373 D CA 1.691 55.700 54.000 0.015 0.000 0.828 1373 D CB -0.147 40.654 40.800 0.001 0.000 0.967 1373 D HN 0.428 nan 8.370 nan 0.000 0.464 1374 V N 1.323 121.241 119.914 0.008 0.000 2.343 1374 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 1374 V C 2.557 178.670 176.094 0.033 0.000 1.051 1374 V CA 1.301 63.602 62.300 0.002 0.000 1.036 1374 V CB -0.537 31.268 31.823 -0.030 0.000 0.654 1374 V HN 0.187 nan 8.190 nan 0.000 0.451 1375 M N -0.283 119.346 119.600 0.048 0.000 2.296 1375 M HA -0.140 4.340 4.480 -0.000 0.000 0.265 1375 M C 2.286 178.643 176.300 0.094 0.000 1.064 1375 M CA 2.068 57.419 55.300 0.086 0.000 1.109 1375 M CB -0.439 32.220 32.600 0.098 0.000 1.396 1375 M HN 0.534 nan 8.290 nan 0.000 0.430 1376 T N -0.395 114.206 114.554 0.077 0.000 2.988 1376 T HA -0.066 4.284 4.350 -0.000 0.000 0.240 1376 T C 1.809 176.547 174.700 0.064 0.000 1.014 1376 T CA 1.712 63.859 62.100 0.079 0.000 1.155 1376 T CB -0.439 68.476 68.868 0.080 0.000 0.872 1376 T HN 0.541 nan 8.240 nan 0.000 0.440 1377 T N 1.692 116.273 114.554 0.045 0.000 2.464 1377 T HA -0.406 3.943 4.350 -0.000 0.000 0.245 1377 T C 1.872 176.599 174.700 0.044 0.000 1.298 1377 T CA 2.240 64.362 62.100 0.035 0.000 1.152 1377 T CB -1.458 67.414 68.868 0.007 0.000 0.854 1377 T HN 0.513 nan 8.240 nan 0.000 0.428 1378 Q N 1.395 121.223 119.800 0.046 0.000 2.274 1378 Q HA -0.227 4.113 4.340 -0.000 0.000 0.217 1378 Q C 2.178 178.210 176.000 0.053 0.000 1.008 1378 Q CA 2.284 58.118 55.803 0.052 0.000 0.925 1378 Q CB -0.721 28.055 28.738 0.063 0.000 0.957 1378 Q HN 0.972 nan 8.270 nan 0.000 0.416 1379 G N -2.629 106.205 108.800 0.057 0.000 3.914 1379 G HA2 0.083 4.043 3.960 -0.000 0.000 0.187 1379 G HA3 0.083 4.043 3.960 -0.000 0.000 0.187 1379 G C 0.215 175.149 174.900 0.058 0.000 0.927 1379 G CA 0.203 45.336 45.100 0.054 0.000 0.893 1379 G HN 0.630 nan 8.290 nan 0.000 0.354 1380 G N -0.337 108.502 108.800 0.065 0.000 3.008 1380 G HA2 0.506 4.465 3.960 -0.000 0.000 0.148 1380 G HA3 0.506 4.465 3.960 -0.000 0.000 0.148 1380 G C -1.306 173.647 174.900 0.088 0.000 1.184 1380 G CA -0.558 44.584 45.100 0.070 0.000 1.087 1380 G HN 0.540 nan 8.290 nan 0.000 0.602 1381 L N 2.198 123.473 121.223 0.087 0.000 2.261 1381 L HA 0.448 4.788 4.340 -0.000 0.000 0.289 1381 L C -0.398 176.537 176.870 0.108 0.000 1.059 1381 L CA -0.213 54.696 54.840 0.116 0.000 0.816 1381 L CB 1.300 43.424 42.059 0.109 0.000 1.191 1381 L HN 0.253 nan 8.230 nan 0.000 0.431 1382 T N 1.317 115.947 114.554 0.126 0.000 2.756 1382 T HA 0.242 4.591 4.350 -0.000 0.000 0.290 1382 T C 0.322 175.124 174.700 0.169 0.000 0.985 1382 T CA -0.632 61.548 62.100 0.135 0.000 0.955 1382 T CB 1.169 70.119 68.868 0.137 0.000 0.930 1382 T HN 0.666 nan 8.240 nan 0.000 0.451 1383 S N 2.083 117.885 115.700 0.170 0.000 2.579 1383 S HA 0.166 4.636 4.470 -0.000 0.000 0.275 1383 S C 0.680 175.442 174.600 0.270 0.000 1.345 1383 S CA -0.832 57.486 58.200 0.197 0.000 1.031 1383 S CB 0.458 63.765 63.200 0.178 0.000 0.892 1383 S HN 0.436 nan 8.310 nan 0.000 0.529 1384 V N 3.003 123.085 119.914 0.281 0.000 2.346 1384 V HA 0.262 4.382 4.120 -0.000 0.000 0.320 1384 V C 0.168 176.506 176.094 0.407 0.000 1.663 1384 V CA -0.012 62.543 62.300 0.425 0.000 1.667 1384 V CB -1.730 30.211 31.823 0.196 0.000 1.465 1384 V HN 1.022 nan 8.190 nan 0.000 0.524 1385 T N -0.078 114.612 114.554 0.227 0.000 2.843 1385 T HA 0.276 4.626 4.350 -0.000 0.000 0.302 1385 T C 1.038 175.565 174.700 -0.289 0.000 1.232 1385 T CA -0.830 61.294 62.100 0.040 0.000 1.009 1385 T CB 1.988 70.902 68.868 0.077 0.000 1.254 1385 T HN 0.391 nan 8.240 nan 0.000 0.504 1386 R N 0.482 120.749 120.500 -0.388 0.000 2.316 1386 R HA -0.193 4.146 4.340 -0.000 0.000 0.232 1386 R C 0.844 176.904 176.300 -0.400 0.000 1.137 1386 R CA 1.726 57.497 56.100 -0.549 0.000 1.012 1386 R CB -0.401 29.518 30.300 -0.636 0.000 0.859 1386 R HN 0.620 nan 8.270 nan 0.000 0.474 1387 H N -0.565 118.418 119.070 -0.145 0.000 2.431 1387 H HA 0.161 4.717 4.556 -0.000 0.000 0.295 1387 H C 1.645 176.932 175.328 -0.067 0.000 1.038 1387 H CA 1.250 57.248 56.048 -0.082 0.000 1.360 1387 H CB -0.067 29.677 29.762 -0.032 0.000 1.433 1387 H HN 0.413 nan 8.280 nan 0.000 0.536 1388 G N 0.582 109.408 108.800 0.044 0.000 3.226 1388 G HA2 0.005 3.965 3.960 -0.000 0.000 0.190 1388 G HA3 0.005 3.965 3.960 -0.000 0.000 0.190 1388 G C 1.263 176.174 174.900 0.019 0.000 1.988 1388 G CA 0.322 45.460 45.100 0.063 0.000 0.859 1388 G HN 0.293 nan 8.290 nan 0.000 0.631 1389 F N 1.909 121.916 119.950 0.094 0.000 2.127 1389 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 1389 F C 1.465 177.321 175.800 0.092 0.000 1.068 1389 F CA 1.889 59.936 58.000 0.079 0.000 1.263 1389 F CB -0.955 38.081 39.000 0.059 0.000 1.016 1389 F HN 0.237 nan 8.300 nan 0.000 0.491 1390 N N 0.291 118.610 118.700 -0.634 0.000 2.471 1390 N HA -0.006 4.734 4.740 -0.000 0.000 0.205 1390 N C 1.388 176.840 175.510 -0.097 0.000 1.251 1390 N CA 0.424 53.300 53.050 -0.289 0.000 0.843 1390 N CB -0.274 37.931 38.487 -0.470 0.000 1.044 1390 N HN 0.726 nan 8.380 nan 0.000 0.461 1391 R N -1.697 118.785 120.500 -0.031 0.000 2.453 1391 R HA 0.220 4.560 4.340 -0.000 0.000 0.233 1391 R C 0.363 176.690 176.300 0.046 0.000 0.895 1391 R CA -0.171 55.930 56.100 0.002 0.000 1.028 1391 R CB -0.242 30.057 30.300 -0.000 0.000 1.255 1391 R HN 0.134 nan 8.270 nan 0.000 0.571 1392 S N 1.111 116.860 115.700 0.081 0.000 2.598 1392 S HA 0.009 4.479 4.470 -0.000 0.000 0.256 1392 S C 0.613 175.259 174.600 0.077 0.000 1.350 1392 S CA -0.172 58.080 58.200 0.087 0.000 0.984 1392 S CB 0.331 63.600 63.200 0.115 0.000 0.930 1392 S HN 0.379 nan 8.310 nan 0.000 0.577 1393 N N 0.595 119.334 118.700 0.065 0.000 2.659 1393 N HA -0.073 4.667 4.740 -0.000 0.000 0.194 1393 N C 0.361 175.906 175.510 0.058 0.000 1.140 1393 N CA 0.863 53.946 53.050 0.055 0.000 0.936 1393 N CB -1.182 37.332 38.487 0.045 0.000 0.970 1393 N HN 0.627 nan 8.380 nan 0.000 0.449 1394 T N 0.524 115.122 114.554 0.073 0.000 2.788 1394 T HA 0.164 4.514 4.350 -0.000 0.000 0.333 1394 T C 1.287 176.029 174.700 0.071 0.000 1.090 1394 T CA 0.134 62.278 62.100 0.073 0.000 1.094 1394 T CB 0.438 69.367 68.868 0.101 0.000 0.999 1394 T HN 0.244 nan 8.240 nan 0.000 0.549 1395 G N -0.440 108.398 108.800 0.064 0.000 2.699 1395 G HA2 0.383 4.343 3.960 -0.000 0.000 0.246 1395 G HA3 0.383 4.343 3.960 -0.000 0.000 0.246 1395 G C 1.116 176.080 174.900 0.107 0.000 1.219 1395 G CA -0.259 44.883 45.100 0.070 0.000 0.866 1395 G HN 0.870 nan 8.290 nan 0.000 0.572 1396 A N 0.374 123.291 122.820 0.163 0.000 1.840 1396 A HA 0.029 4.348 4.320 -0.000 0.000 0.214 1396 A C 2.468 180.151 177.584 0.165 0.000 1.198 1396 A CA 1.222 53.378 52.037 0.198 0.000 0.608 1396 A CB -0.607 18.619 19.000 0.377 0.000 0.839 1396 A HN 0.569 nan 8.150 nan 0.000 0.443 1397 L N -0.958 120.395 121.223 0.217 0.000 2.137 1397 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 1397 L C 2.786 179.714 176.870 0.096 0.000 1.085 1397 L CA 1.975 56.905 54.840 0.149 0.000 0.760 1397 L CB -0.444 41.701 42.059 0.143 0.000 0.893 1397 L HN 0.644 nan 8.230 nan 0.000 0.434 1398 M N -0.104 119.553 119.600 0.095 0.000 2.074 1398 M HA -0.208 4.272 4.480 -0.000 0.000 0.259 1398 M C 2.399 178.775 176.300 0.127 0.000 1.079 1398 M CA 1.765 57.120 55.300 0.092 0.000 1.119 1398 M CB -0.115 32.534 32.600 0.082 0.000 1.297 1398 M HN -0.026 nan 8.290 nan 0.000 0.416 1399 R N -0.345 120.239 120.500 0.140 0.000 2.249 1399 R HA -0.167 4.173 4.340 -0.000 0.000 0.230 1399 R C 2.415 178.783 176.300 0.112 0.000 1.121 1399 R CA 1.214 57.416 56.100 0.170 0.000 0.997 1399 R CB -1.112 29.258 30.300 0.118 0.000 0.867 1399 R HN 0.616 nan 8.270 nan 0.000 0.465 1400 C N 1.114 120.458 119.300 0.073 0.000 2.448 1400 C HA 0.038 4.498 4.460 -0.000 0.000 0.280 1400 C C 1.688 176.701 174.990 0.039 0.000 1.398 1400 C CA 0.677 59.706 59.018 0.019 0.000 1.774 1400 C CB -0.747 26.994 27.740 0.000 0.000 1.888 1400 C HN 0.442 nan 8.230 nan 0.000 0.519 1401 S N -0.535 115.224 115.700 0.097 0.000 2.945 1401 S HA 0.473 4.943 4.470 -0.000 0.000 0.227 1401 S C -0.502 174.241 174.600 0.238 0.000 1.353 1401 S CA -0.431 57.835 58.200 0.111 0.000 1.236 1401 S CB -0.689 62.561 63.200 0.083 0.000 1.069 1401 S HN 0.671 nan 8.310 nan 0.000 0.509 1402 F N 0.567 120.520 119.950 0.006 0.000 3.311 1402 F HA 0.248 4.775 4.527 -0.000 0.000 0.335 1402 F C 0.134 175.923 175.800 -0.018 0.000 1.040 1402 F CA -0.942 57.068 58.000 0.017 0.000 1.391 1402 F CB -0.451 38.590 39.000 0.068 0.000 1.697 1402 F HN 0.366 nan 8.300 nan 0.000 0.806 1403 E N 2.011 121.979 120.200 -0.386 0.000 4.153 1403 E HA -0.331 4.019 4.350 -0.000 0.000 0.193 1403 E C 0.583 176.990 176.600 -0.322 0.000 1.249 1403 E CA 2.076 58.184 56.400 -0.486 0.000 2.292 1403 E CB -0.802 28.331 29.700 -0.946 0.000 1.844 1403 E HN 0.803 nan 8.360 nan 0.000 0.356 1404 E N 1.650 121.650 120.200 -0.333 0.000 2.463 1404 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 1404 E C 0.971 177.464 176.600 -0.178 0.000 1.083 1404 E CA 0.721 56.988 56.400 -0.222 0.000 0.872 1404 E CB -0.064 29.514 29.700 -0.203 0.000 0.966 1404 E HN 0.354 nan 8.360 nan 0.000 0.491 1405 T N 0.772 115.229 114.554 -0.161 0.000 1.752 1405 T HA -0.372 3.978 4.350 -0.000 0.000 0.121 1405 T C 1.847 176.420 174.700 -0.212 0.000 1.903 1405 T CA 2.169 64.179 62.100 -0.150 0.000 0.871 1405 T CB -1.031 67.754 68.868 -0.137 0.000 0.802 1405 T HN 0.099 nan 8.240 nan 0.000 0.396 1406 V N 2.325 122.071 119.914 -0.280 0.000 2.282 1406 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 1406 V C 2.703 178.477 176.094 -0.532 0.000 1.057 1406 V CA 2.542 64.556 62.300 -0.478 0.000 1.032 1406 V CB -0.896 30.602 31.823 -0.541 0.000 0.645 1406 V HN 0.586 nan 8.190 nan 0.000 0.447 1407 E N -0.306 119.705 120.200 -0.316 0.000 2.118 1407 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 1407 E C 2.222 178.780 176.600 -0.071 0.000 0.992 1407 E CA 1.494 57.808 56.400 -0.142 0.000 0.804 1407 E CB -0.201 29.448 29.700 -0.085 0.000 0.741 1407 E HN 0.553 nan 8.360 nan 0.000 0.458 1408 I N 1.002 121.502 120.570 -0.117 0.000 2.202 1408 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 1408 I C 2.453 178.519 176.117 -0.086 0.000 1.091 1408 I CA 0.937 62.188 61.300 -0.081 0.000 1.368 1408 I CB -0.150 37.798 38.000 -0.087 0.000 1.058 1408 I HN 0.162 nan 8.210 nan 0.000 0.410 1409 L N -0.026 121.094 121.223 -0.172 0.000 1.970 1409 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 1409 L C 2.606 179.433 176.870 -0.072 0.000 1.071 1409 L CA 1.789 56.479 54.840 -0.250 0.000 0.751 1409 L CB -0.693 41.163 42.059 -0.337 0.000 0.889 1409 L HN 0.177 nan 8.230 nan 0.000 0.432 1410 F N 0.515 120.405 119.950 -0.100 0.000 2.048 1410 F HA -0.372 4.155 4.527 -0.000 0.000 0.296 1410 F C 2.424 178.328 175.800 0.173 0.000 1.109 1410 F CA 1.383 59.409 58.000 0.043 0.000 1.214 1410 F CB -0.277 38.746 39.000 0.038 0.000 0.963 1410 F HN 0.242 nan 8.300 nan 0.000 0.491 1411 E N -0.086 120.275 120.200 0.267 0.000 2.515 1411 E HA -0.088 4.262 4.350 -0.000 0.000 0.201 1411 E C 1.719 178.315 176.600 -0.007 0.000 1.071 1411 E CA 0.301 56.745 56.400 0.073 0.000 0.880 1411 E CB -0.059 29.644 29.700 0.006 0.000 0.828 1411 E HN 0.422 nan 8.360 nan 0.000 0.540 1412 A N 0.741 123.567 122.820 0.010 0.000 1.871 1412 A HA 0.094 4.414 4.320 -0.000 0.000 0.211 1412 A C 2.352 179.986 177.584 0.083 0.000 1.207 1412 A CA 0.945 52.995 52.037 0.021 0.000 0.620 1412 A CB -0.676 18.257 19.000 -0.111 0.000 0.860 1412 A HN 0.326 nan 8.150 nan 0.000 0.450 1413 G N -0.616 108.202 108.800 0.031 0.000 2.534 1413 G HA2 0.163 4.123 3.960 -0.000 0.000 0.217 1413 G HA3 0.163 4.123 3.960 -0.000 0.000 0.217 1413 G C 1.513 176.460 174.900 0.079 0.000 1.128 1413 G CA 1.196 46.364 45.100 0.113 0.000 0.784 1413 G HN 0.699 nan 8.290 nan 0.000 0.542 1414 A N 0.761 123.590 122.820 0.015 0.000 1.897 1414 A HA 0.142 4.462 4.320 -0.000 0.000 0.215 1414 A C 2.178 179.534 177.584 -0.379 0.000 1.181 1414 A CA 1.756 53.636 52.037 -0.263 0.000 0.620 1414 A CB -0.110 18.578 19.000 -0.520 0.000 0.821 1414 A HN 0.265 nan 8.150 nan 0.000 0.443 1415 S N -0.486 115.044 115.700 -0.283 0.000 2.573 1415 S HA 0.494 4.964 4.470 -0.000 0.000 0.244 1415 S C 0.739 175.300 174.600 -0.066 0.000 0.984 1415 S CA 0.276 58.298 58.200 -0.297 0.000 1.001 1415 S CB 0.025 63.058 63.200 -0.278 0.000 0.788 1415 S HN 1.516 nan 8.310 nan 0.000 0.456 1416 A N 1.626 124.469 122.820 0.037 0.000 2.550 1416 A HA -0.243 4.077 4.320 -0.000 0.000 0.298 1416 A C 0.448 178.133 177.584 0.168 0.000 1.485 1416 A CA 0.740 52.883 52.037 0.176 0.000 0.780 1416 A CB -1.649 17.515 19.000 0.273 0.000 1.045 1416 A HN 0.655 nan 8.150 nan 0.000 0.423 1417 E N -1.709 118.592 120.200 0.167 0.000 2.438 1417 E HA 0.260 4.610 4.350 -0.000 0.000 0.261 1417 E C -0.124 176.505 176.600 0.049 0.000 1.103 1417 E CA -0.032 56.454 56.400 0.144 0.000 0.959 1417 E CB 0.397 30.241 29.700 0.240 0.000 0.958 1417 E HN 0.560 nan 8.360 nan 0.000 0.447 1418 L N 2.658 123.877 121.223 -0.006 0.000 2.356 1418 L HA 0.308 4.648 4.340 -0.000 0.000 0.277 1418 L C -1.022 175.780 176.870 -0.114 0.000 0.996 1418 L CA -0.322 54.457 54.840 -0.101 0.000 0.822 1418 L CB 1.760 43.800 42.059 -0.031 0.000 1.256 1418 L HN 0.361 nan 8.230 nan 0.000 0.413 1419 D N 2.298 122.569 120.400 -0.216 0.000 2.217 1419 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 1419 D C 0.041 176.278 176.300 -0.106 0.000 1.054 1419 D CA -0.133 53.783 54.000 -0.140 0.000 0.838 1419 D CB 1.925 42.623 40.800 -0.170 0.000 1.162 1419 D HN 0.649 nan 8.370 nan 0.000 0.472 1420 D N 1.133 121.499 120.400 -0.057 0.000 2.117 1420 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 1420 D C 0.782 177.055 176.300 -0.045 0.000 0.982 1420 D CA 0.754 54.728 54.000 -0.044 0.000 0.828 1420 D CB 0.022 40.807 40.800 -0.026 0.000 0.967 1420 D HN 0.471 nan 8.370 nan 0.000 0.464 1421 C N -0.098 119.179 119.300 -0.039 0.000 4.619 1421 C HA -0.119 4.341 4.460 -0.000 0.000 0.304 1421 C C 1.150 176.124 174.990 -0.027 0.000 1.281 1421 C CA -0.306 58.691 59.018 -0.034 0.000 2.101 1421 C CB -2.311 25.401 27.740 -0.046 0.000 1.221 1421 C HN 0.426 nan 8.230 nan 0.000 0.760 1422 R N -0.112 120.376 120.500 -0.020 0.000 2.476 1422 R HA 0.265 4.605 4.340 -0.000 0.000 0.276 1422 R C 1.067 177.360 176.300 -0.011 0.000 0.941 1422 R CA 0.597 56.687 56.100 -0.017 0.000 1.088 1422 R CB 0.722 31.012 30.300 -0.018 0.000 1.216 1422 R HN 0.550 nan 8.270 nan 0.000 0.533 1423 G N 0.411 109.206 108.800 -0.008 0.000 2.338 1423 G HA2 0.297 4.257 3.960 -0.000 0.000 0.298 1423 G HA3 0.297 4.257 3.960 -0.000 0.000 0.298 1423 G C 1.152 176.043 174.900 -0.015 0.000 1.140 1423 G CA -0.567 44.529 45.100 -0.006 0.000 0.860 1423 G HN -0.123 nan 8.290 nan 0.000 0.470 1424 V N 2.956 122.854 119.914 -0.026 0.000 2.226 1424 V HA -0.317 3.803 4.120 -0.000 0.000 0.254 1424 V C 3.028 179.106 176.094 -0.027 0.000 1.065 1424 V CA 2.800 65.078 62.300 -0.036 0.000 1.039 1424 V CB -1.082 30.711 31.823 -0.050 0.000 0.653 1424 V HN 0.736 nan 8.190 nan 0.000 0.450 1425 S N -0.312 115.377 115.700 -0.018 0.000 2.368 1425 S HA -0.297 4.173 4.470 -0.000 0.000 0.226 1425 S C 1.829 176.429 174.600 0.001 0.000 1.044 1425 S CA 1.839 60.036 58.200 -0.005 0.000 1.062 1425 S CB -0.596 62.612 63.200 0.012 0.000 0.931 1425 S HN 0.715 nan 8.310 nan 0.000 0.440 1426 E N 1.890 122.093 120.200 0.006 0.000 2.095 1426 E HA -0.227 4.122 4.350 -0.000 0.000 0.212 1426 E C 1.843 178.440 176.600 -0.006 0.000 1.044 1426 E CA 1.378 57.782 56.400 0.006 0.000 0.857 1426 E CB -0.838 28.860 29.700 -0.002 0.000 0.764 1426 E HN 0.565 nan 8.360 nan 0.000 0.462 1427 N N 0.595 119.285 118.700 -0.016 0.000 2.142 1427 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 1427 N C 2.127 177.624 175.510 -0.022 0.000 1.023 1427 N CA 0.877 53.913 53.050 -0.023 0.000 0.852 1427 N CB -0.247 38.221 38.487 -0.032 0.000 0.998 1427 N HN -0.007 nan 8.380 nan 0.000 0.424 1428 V N 2.203 122.105 119.914 -0.021 0.000 2.392 1428 V HA -0.201 3.919 4.120 -0.000 0.000 0.249 1428 V C 2.192 178.278 176.094 -0.013 0.000 1.059 1428 V CA 1.330 63.617 62.300 -0.021 0.000 1.051 1428 V CB -0.331 31.479 31.823 -0.022 0.000 0.658 1428 V HN 0.243 nan 8.190 nan 0.000 0.455 1429 I N -1.083 119.484 120.570 -0.005 0.000 2.439 1429 I HA -0.176 3.993 4.170 -0.000 0.000 0.251 1429 I C 2.111 178.227 176.117 -0.001 0.000 1.139 1429 I CA 1.269 62.571 61.300 0.002 0.000 1.438 1429 I CB -0.203 37.806 38.000 0.015 0.000 1.085 1429 I HN 0.241 nan 8.210 nan 0.000 0.427 1430 L N 0.365 121.584 121.223 -0.006 0.000 2.270 1430 L HA 0.116 4.455 4.340 -0.000 0.000 0.210 1430 L C 1.488 178.350 176.870 -0.014 0.000 1.104 1430 L CA 0.813 55.647 54.840 -0.010 0.000 0.804 1430 L CB -0.360 41.690 42.059 -0.016 0.000 0.937 1430 L HN 0.508 nan 8.230 nan 0.000 0.450 1431 G N 0.339 109.128 108.800 -0.018 0.000 2.142 1431 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.225 1431 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.225 1431 G C -0.076 174.810 174.900 -0.024 0.000 1.015 1431 G CA -0.320 44.767 45.100 -0.020 0.000 0.716 1431 G HN 0.412 nan 8.290 nan 0.000 0.508 1432 Q N -0.469 119.315 119.800 -0.027 0.000 2.345 1432 Q HA 0.605 4.945 4.340 -0.000 0.000 0.268 1432 Q C 0.337 176.314 176.000 -0.038 0.000 1.054 1432 Q CA -1.129 54.656 55.803 -0.031 0.000 0.835 1432 Q CB 1.946 30.666 28.738 -0.029 0.000 1.339 1432 Q HN 0.384 nan 8.270 nan 0.000 0.447 1433 M N 2.071 121.645 119.600 -0.044 0.000 2.303 1433 M HA 0.188 4.667 4.480 -0.000 0.000 0.350 1433 M C -0.597 175.665 176.300 -0.064 0.000 1.518 1433 M CA 0.128 55.393 55.300 -0.057 0.000 1.070 1433 M CB 0.284 32.846 32.600 -0.064 0.000 1.910 1433 M HN 0.820 nan 8.290 nan 0.000 0.458 1434 A N 7.303 130.083 122.820 -0.066 0.000 2.354 1434 A HA 0.504 4.824 4.320 -0.000 0.000 0.269 1434 A C -2.378 175.155 177.584 -0.085 0.000 1.109 1434 A CA -1.481 50.517 52.037 -0.066 0.000 0.800 1434 A CB -0.235 18.730 19.000 -0.058 0.000 1.045 1434 A HN 0.657 nan 8.150 nan 0.000 0.489 1435 P HA 0.196 nan 4.420 nan 0.000 0.252 1435 P C -1.106 176.140 177.300 -0.090 0.000 1.635 1435 P CA 1.041 64.093 63.100 -0.081 0.000 1.206 1435 P CB -0.513 31.163 31.700 -0.039 0.000 1.911 1436 I N 0.600 121.093 120.570 -0.128 0.000 2.586 1436 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 1436 I C 1.202 177.225 176.117 -0.157 0.000 1.147 1436 I CA -0.471 60.750 61.300 -0.131 0.000 1.047 1436 I CB 1.859 39.794 38.000 -0.108 0.000 1.244 1436 I HN 0.343 nan 8.210 nan 0.000 0.429 1437 G N 4.149 112.858 108.800 -0.152 0.000 2.702 1437 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.342 1437 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.342 1437 G C 1.016 175.804 174.900 -0.188 0.000 1.258 1437 G CA 1.245 46.273 45.100 -0.120 0.000 0.990 1437 G HN 0.572 nan 8.290 nan 0.000 0.548 1438 T N 0.849 115.311 114.554 -0.152 0.000 2.684 1438 T HA -0.231 4.119 4.350 -0.000 0.000 0.259 1438 T C 1.970 176.315 174.700 -0.592 0.000 1.086 1438 T CA 2.961 64.927 62.100 -0.225 0.000 1.155 1438 T CB -0.766 68.024 68.868 -0.130 0.000 0.848 1438 T HN 1.728 nan 8.240 nan 0.000 0.464 1439 G N -0.284 108.247 108.800 -0.448 0.000 3.949 1439 G HA2 0.513 4.473 3.960 -0.000 0.000 0.295 1439 G HA3 0.513 4.473 3.960 -0.000 0.000 0.295 1439 G C 0.583 175.230 174.900 -0.421 0.000 1.286 1439 G CA 0.267 45.086 45.100 -0.469 0.000 1.171 1439 G HN 0.593 nan 8.290 nan 0.000 0.586 1440 A N 0.355 122.843 122.820 -0.554 0.000 2.507 1440 A HA 0.689 5.008 4.320 -0.000 0.000 0.270 1440 A C 0.053 177.648 177.584 0.018 0.000 1.318 1440 A CA -0.302 51.602 52.037 -0.220 0.000 0.924 1440 A CB -0.507 18.387 19.000 -0.176 0.000 1.061 1440 A HN 0.800 nan 8.150 nan 0.000 0.516 1441 F N -4.020 115.999 119.950 0.114 0.000 2.978 1441 F HA 0.658 5.185 4.527 -0.000 0.000 0.324 1441 F C -1.603 174.253 175.800 0.092 0.000 1.157 1441 F CA -1.851 56.248 58.000 0.165 0.000 0.879 1441 F CB 0.250 39.415 39.000 0.275 0.000 1.364 1441 F HN -0.163 nan 8.300 nan 0.000 0.465 1442 D N 0.458 121.133 120.400 0.459 0.000 2.374 1442 D HA 0.713 5.353 4.640 -0.000 0.000 0.239 1442 D C -1.223 175.262 176.300 0.309 0.000 0.991 1442 D CA -0.217 53.958 54.000 0.290 0.000 0.960 1442 D CB 2.707 43.598 40.800 0.152 0.000 1.284 1442 D HN 0.652 nan 8.370 nan 0.000 0.512 1443 V N -0.790 119.247 119.914 0.205 0.000 2.588 1443 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 1443 V C -0.367 175.781 176.094 0.090 0.000 1.042 1443 V CA -0.752 61.637 62.300 0.149 0.000 0.877 1443 V CB 1.606 33.527 31.823 0.164 0.000 0.996 1443 V HN 0.461 nan 8.190 nan 0.000 0.425 1444 M N 4.179 123.818 119.600 0.064 0.000 2.550 1444 M HA 0.654 5.134 4.480 -0.000 0.000 0.292 1444 M C -1.405 174.920 176.300 0.042 0.000 1.221 1444 M CA -0.537 54.792 55.300 0.048 0.000 0.873 1444 M CB 2.674 35.298 32.600 0.039 0.000 1.727 1444 M HN 0.607 nan 8.290 nan 0.000 0.459 1445 I N 0.868 121.462 120.570 0.039 0.000 2.322 1445 I HA 0.215 4.385 4.170 -0.000 0.000 0.292 1445 I C -0.130 176.004 176.117 0.027 0.000 1.060 1445 I CA -0.196 61.129 61.300 0.040 0.000 1.309 1445 I CB -0.232 37.792 38.000 0.039 0.000 1.415 1445 I HN 0.437 nan 8.210 nan 0.000 0.492 1446 D N 5.579 125.993 120.400 0.024 0.000 2.374 1446 D HA -0.013 4.627 4.640 -0.000 0.000 0.240 1446 D C 1.219 177.513 176.300 -0.010 0.000 1.229 1446 D CA 0.119 54.120 54.000 0.002 0.000 0.895 1446 D CB 0.690 41.485 40.800 -0.008 0.000 1.046 1446 D HN 0.560 nan 8.370 nan 0.000 0.498 1447 E N 3.463 123.658 120.200 -0.008 0.000 2.171 1447 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 1447 E C 0.870 177.446 176.600 -0.041 0.000 0.997 1447 E CA 1.107 57.498 56.400 -0.014 0.000 0.810 1447 E CB 0.360 30.055 29.700 -0.009 0.000 0.738 1447 E HN 0.668 nan 8.360 nan 0.000 0.467 1448 E N 0.155 120.324 120.200 -0.051 0.000 2.005 1448 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 1448 E C 2.142 178.658 176.600 -0.139 0.000 1.010 1448 E CA 1.848 58.202 56.400 -0.077 0.000 0.825 1448 E CB -0.211 29.449 29.700 -0.067 0.000 0.769 1448 E HN 0.310 nan 8.360 nan 0.000 0.456 1449 S N 1.246 116.841 115.700 -0.175 0.000 2.440 1449 S HA -0.176 4.294 4.470 -0.000 0.000 0.240 1449 S C 1.792 176.104 174.600 -0.480 0.000 1.014 1449 S CA 0.765 58.743 58.200 -0.370 0.000 0.980 1449 S CB -0.247 62.781 63.200 -0.286 0.000 0.775 1449 S HN 0.167 nan 8.310 nan 0.000 0.499 1450 L N 1.169 122.285 121.223 -0.179 0.000 2.737 1450 L HA 0.327 4.666 4.340 -0.000 0.000 0.246 1450 L C 1.200 178.039 176.870 -0.051 0.000 1.153 1450 L CA 0.451 55.263 54.840 -0.047 0.000 0.920 1450 L CB -0.178 41.893 42.059 0.020 0.000 1.090 1450 L HN 0.221 nan 8.230 nan 0.000 0.430 1451 V N -2.019 117.817 119.914 -0.130 0.000 3.431 1451 V HA 0.060 4.180 4.120 -0.000 0.000 0.255 1451 V C 1.944 177.984 176.094 -0.090 0.000 1.403 1451 V CA 0.168 62.424 62.300 -0.072 0.000 1.101 1451 V CB 0.172 31.958 31.823 -0.061 0.000 0.891 1451 V HN 0.268 nan 8.190 nan 0.000 0.446 1452 K N -0.025 120.246 120.400 -0.215 0.000 2.504 1452 K HA 0.031 4.351 4.320 -0.000 0.000 0.195 1452 K C 0.073 176.640 176.600 -0.055 0.000 1.036 1452 K CA 0.820 56.992 56.287 -0.192 0.000 0.984 1452 K CB -0.038 32.279 32.500 -0.306 0.000 0.788 1452 K HN 0.537 nan 8.250 nan 0.000 0.488 1453 Y N 1.750 122.049 120.300 -0.001 0.000 2.849 1453 Y HA 0.214 4.764 4.550 -0.000 0.000 0.356 1453 Y C -0.055 175.846 175.900 0.001 0.000 1.236 1453 Y CA -1.032 57.068 58.100 0.000 0.000 1.508 1453 Y CB -0.133 38.328 38.460 0.002 0.000 1.619 1453 Y HN -0.001 nan 8.280 nan 0.000 0.513 1454 M N 0.752 120.435 119.600 0.138 0.000 2.362 1454 M HA 0.465 4.945 4.480 -0.000 0.000 0.242 1454 M C -3.246 173.084 176.300 0.050 0.000 0.995 1454 M CA -1.311 54.035 55.300 0.078 0.000 0.904 1454 M CB 1.082 33.717 32.600 0.058 0.000 2.202 1454 M HN -0.023 nan 8.290 nan 0.000 0.464 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.116 63.100 0.027 0.000 0.800 1455 P CB 0.000 31.715 31.700 0.025 0.000 0.726