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 3o4g_1_D DATA FIRST_RESID 6 DATA SEQUENCE PVEFSRIVRD VERLIAVEKY SLQGVVDGDK LLVVGFSEGS VNAYLYDGGE DATA SEQUENCE TVKLNREPIN SVLDPHYGVG RVILVRDVSK GAEQHALFKV NTSRPGEEQR DATA SEQUENCE LEAVKPMRIL SGVDTGEAVV FTGATEDRVA LYALDGGGLR ELARLPGFGF DATA SEQUENCE VSDIRGDLIA GLGFFGGGRV SLFTSNLSSG GLRVFDSGEG SFSSASISPG DATA SEQUENCE MKVTAGLETA REARLVTVDP RDGSVEDLEL PSKDFSSYRP TAITWLGYLP DATA SEQUENCE DGRLAVVARR EGRSAVFIDG ERVEAPQGNH GRVVLWRGKL VTSHTSLSTP DATA SEQUENCE PRIVSLPSGE PLLEGGLPED LRRSIAGSRL VWVESFDGSR VPTYVLESGR DATA SEQUENCE APTPGPTVVL VHGGPFAEDS DSWDTFAASL AAAGFHVVMP NYRGSTGYGE DATA SEQUENCE EWRLKIIGDP CGGELEDVSA AARWARESGL ASELYIMGYS YGGYMTLCAL DATA SEQUENCE TMKPGLFKAG VAGASVVDWE EMYELSDAAF RNFIEQLTGG SREIMRSRSP DATA SEQUENCE INHVDRIKEP LALIHPQNDS RTPLKPLLRL MGELLARGKT FEAHIIPDAG DATA SEQUENCE HAINTMEDAV KILLPAVFFL ATQRER 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.282 177.300 -0.031 0.000 1.155 6 P CA 0.000 63.082 63.100 -0.030 0.000 0.800 6 P CB 0.000 31.684 31.700 -0.027 0.000 0.726 7 V N 2.677 122.572 119.914 -0.032 0.000 2.458 7 V HA 0.314 4.436 4.120 0.004 0.000 0.287 7 V C 0.982 177.056 176.094 -0.032 0.000 1.009 7 V CA 0.361 62.647 62.300 -0.024 0.000 1.091 7 V CB 0.252 32.063 31.823 -0.020 0.000 0.960 7 V HN 0.440 nan 8.190 nan 0.000 0.476 8 E N 4.471 124.651 120.200 -0.032 0.000 2.250 8 E HA 0.532 4.884 4.350 0.004 0.000 0.269 8 E C 0.934 177.498 176.600 -0.059 0.000 1.018 8 E CA 0.090 56.454 56.400 -0.060 0.000 0.873 8 E CB 0.907 30.575 29.700 -0.053 0.000 1.134 8 E HN 0.944 nan 8.360 nan 0.000 0.403 9 F N 1.495 121.351 119.950 -0.156 0.000 2.161 9 F HA -0.256 4.273 4.527 0.004 0.000 0.300 9 F C 2.582 178.415 175.800 0.055 0.000 1.089 9 F CA 2.207 60.085 58.000 -0.203 0.000 1.282 9 F CB -1.388 37.153 39.000 -0.765 0.000 1.010 9 F HN 0.681 nan 8.300 nan 0.000 0.485 10 S N -0.608 115.102 115.700 0.017 0.000 2.400 10 S HA -0.232 4.240 4.470 0.004 0.000 0.232 10 S C 2.055 176.697 174.600 0.069 0.000 1.025 10 S CA 1.325 59.561 58.200 0.059 0.000 0.993 10 S CB -0.927 62.288 63.200 0.025 0.000 0.808 10 S HN 0.750 nan 8.310 nan 0.000 0.478 11 R N 0.974 121.506 120.500 0.054 0.000 2.066 11 R HA 0.045 4.387 4.340 0.004 0.000 0.232 11 R C 2.286 178.634 176.300 0.080 0.000 1.131 11 R CA 1.585 57.717 56.100 0.053 0.000 0.955 11 R CB -0.481 29.840 30.300 0.034 0.000 0.851 11 R HN 0.493 nan 8.270 nan 0.000 0.432 12 I N 0.330 120.973 120.570 0.122 0.000 2.127 12 I HA -0.300 3.872 4.170 0.004 0.000 0.241 12 I C 2.348 178.542 176.117 0.130 0.000 1.075 12 I CA 1.205 62.600 61.300 0.158 0.000 1.334 12 I CB -0.239 37.931 38.000 0.283 0.000 1.040 12 I HN 0.011 nan 8.210 nan 0.000 0.405 13 V N 0.589 120.606 119.914 0.172 0.000 2.392 13 V HA -0.305 3.817 4.120 0.004 0.000 0.249 13 V C 2.578 178.702 176.094 0.050 0.000 1.059 13 V CA 1.882 64.243 62.300 0.101 0.000 1.051 13 V CB -0.781 31.131 31.823 0.148 0.000 0.658 13 V HN 0.365 nan 8.190 nan 0.000 0.455 14 R N -0.350 120.184 120.500 0.056 0.000 2.075 14 R HA -0.146 4.197 4.340 0.004 0.000 0.232 14 R C 2.145 178.465 176.300 0.032 0.000 1.126 14 R CA 1.712 57.834 56.100 0.037 0.000 0.963 14 R CB -0.436 29.886 30.300 0.037 0.000 0.858 14 R HN 0.538 nan 8.270 nan 0.000 0.435 15 D N 0.182 120.606 120.400 0.041 0.000 2.084 15 D HA -0.127 4.515 4.640 0.004 0.000 0.194 15 D C 1.990 178.308 176.300 0.029 0.000 0.990 15 D CA 1.084 55.109 54.000 0.042 0.000 0.826 15 D CB -0.280 40.551 40.800 0.052 0.000 0.971 15 D HN -0.021 nan 8.370 nan 0.000 0.453 16 V N 1.112 121.032 119.914 0.009 0.000 2.392 16 V HA -0.249 3.873 4.120 0.004 0.000 0.249 16 V C 2.439 178.517 176.094 -0.027 0.000 1.059 16 V CA 1.877 64.159 62.300 -0.031 0.000 1.051 16 V CB -0.434 31.341 31.823 -0.080 0.000 0.658 16 V HN 0.241 nan 8.190 nan 0.000 0.455 17 E N -0.038 120.155 120.200 -0.012 0.000 2.072 17 E HA -0.216 4.136 4.350 0.004 0.000 0.191 17 E C 2.483 179.085 176.600 0.003 0.000 0.985 17 E CA 1.120 57.514 56.400 -0.010 0.000 0.801 17 E CB -0.051 29.648 29.700 -0.002 0.000 0.750 17 E HN 0.518 nan 8.360 nan 0.000 0.452 18 R N 0.103 120.613 120.500 0.017 0.000 2.073 18 R HA -0.122 4.220 4.340 0.004 0.000 0.234 18 R C 2.578 178.904 176.300 0.044 0.000 1.134 18 R CA 1.433 57.548 56.100 0.025 0.000 0.952 18 R CB -0.367 29.953 30.300 0.033 0.000 0.850 18 R HN 0.280 nan 8.270 nan 0.000 0.433 19 L N 0.428 121.695 121.223 0.073 0.000 2.201 19 L HA -0.148 4.194 4.340 0.004 0.000 0.212 19 L C 2.282 179.232 176.870 0.134 0.000 1.105 19 L CA 0.699 55.633 54.840 0.156 0.000 0.775 19 L CB -0.274 41.887 42.059 0.170 0.000 0.913 19 L HN 0.205 nan 8.230 nan 0.000 0.440 20 I N -0.054 120.543 120.570 0.046 0.000 2.500 20 I HA -0.119 4.053 4.170 0.004 0.000 0.252 20 I C 2.509 178.633 176.117 0.012 0.000 1.142 20 I CA 1.197 62.507 61.300 0.016 0.000 1.451 20 I CB -0.808 37.172 38.000 -0.034 0.000 1.093 20 I HN 0.159 nan 8.210 nan 0.000 0.430 21 A N 0.289 123.111 122.820 0.004 0.000 2.195 21 A HA 0.047 4.369 4.320 0.004 0.000 0.210 21 A C 1.271 178.838 177.584 -0.029 0.000 1.165 21 A CA -0.008 52.023 52.037 -0.011 0.000 0.806 21 A CB -0.351 18.643 19.000 -0.009 0.000 0.847 21 A HN 0.118 nan 8.150 nan 0.000 0.482 22 V N 1.557 121.452 119.914 -0.032 0.000 2.584 22 V HA 0.013 4.135 4.120 0.004 0.000 0.303 22 V C 0.363 176.378 176.094 -0.130 0.000 1.035 22 V CA 0.036 62.288 62.300 -0.079 0.000 1.172 22 V CB 0.164 31.919 31.823 -0.113 0.000 0.896 22 V HN 0.620 nan 8.190 nan 0.000 0.486 23 E N 5.978 126.082 120.200 -0.159 0.000 2.344 23 E HA 0.247 4.599 4.350 0.004 0.000 0.270 23 E C -0.416 175.923 176.600 -0.434 0.000 1.021 23 E CA -0.084 56.139 56.400 -0.295 0.000 0.887 23 E CB 0.528 30.013 29.700 -0.359 0.000 0.997 23 E HN 0.729 nan 8.360 nan 0.000 0.429 24 K N 3.616 123.764 120.400 -0.420 0.000 2.244 24 K HA 0.318 4.640 4.320 0.004 0.000 0.260 24 K C -1.379 175.032 176.600 -0.315 0.000 0.951 24 K CA -0.626 55.467 56.287 -0.323 0.000 0.826 24 K CB 1.338 33.710 32.500 -0.213 0.000 1.108 24 K HN 0.411 nan 8.250 nan 0.000 0.433 25 Y N 0.189 120.481 120.300 -0.013 0.000 2.393 25 Y HA 0.324 4.876 4.550 0.004 0.000 0.341 25 Y C 0.266 176.178 175.900 0.020 0.000 0.988 25 Y CA -0.688 57.427 58.100 0.025 0.000 1.078 25 Y CB 2.367 40.776 38.460 -0.085 0.000 1.203 25 Y HN 0.469 nan 8.280 nan 0.000 0.453 26 S N 3.493 119.347 115.700 0.256 0.000 2.482 26 S HA 0.562 5.034 4.470 0.004 0.000 0.303 26 S C -1.450 173.195 174.600 0.076 0.000 1.091 26 S CA -0.660 57.624 58.200 0.140 0.000 1.057 26 S CB 0.727 64.059 63.200 0.220 0.000 1.031 26 S HN 0.600 nan 8.310 nan 0.000 0.485 27 L N 4.841 126.049 121.223 -0.025 0.000 2.290 27 L HA 0.517 4.859 4.340 0.004 0.000 0.284 27 L C 0.832 177.642 176.870 -0.101 0.000 1.078 27 L CA 0.388 55.174 54.840 -0.090 0.000 0.815 27 L CB 1.045 43.013 42.059 -0.152 0.000 1.162 27 L HN 0.752 nan 8.230 nan 0.000 0.435 28 Q N 3.864 123.613 119.800 -0.085 0.000 2.402 28 Q HA 0.475 4.817 4.340 0.004 0.000 0.231 28 Q C 0.595 176.540 176.000 -0.090 0.000 0.888 28 Q CA 0.635 56.400 55.803 -0.063 0.000 0.938 28 Q CB 1.095 29.820 28.738 -0.023 0.000 1.086 28 Q HN 0.932 nan 8.270 nan 0.000 0.543 29 G N -0.363 108.349 108.800 -0.145 0.000 2.362 29 G HA2 0.148 4.110 3.960 0.004 0.000 0.288 29 G HA3 0.148 4.110 3.960 0.004 0.000 0.288 29 G C -1.680 173.059 174.900 -0.269 0.000 1.305 29 G CA -0.671 44.291 45.100 -0.230 0.000 0.910 29 G HN -0.083 nan 8.290 nan 0.000 0.518 30 V N 0.466 120.123 119.914 -0.428 0.000 2.483 30 V HA 0.793 4.915 4.120 0.004 0.000 0.295 30 V C 0.724 176.741 176.094 -0.127 0.000 1.035 30 V CA 0.050 62.195 62.300 -0.257 0.000 0.896 30 V CB 0.925 32.611 31.823 -0.230 0.000 0.986 30 V HN 1.705 nan 8.190 nan 0.000 0.447 31 V N 0.505 120.407 119.914 -0.020 0.000 3.167 31 V HA 0.758 4.880 4.120 0.004 0.000 0.310 31 V C 0.137 176.271 176.094 0.066 0.000 1.207 31 V CA -0.443 61.873 62.300 0.028 0.000 1.059 31 V CB 1.572 33.405 31.823 0.017 0.000 1.079 31 V HN 0.808 nan 8.190 nan 0.000 0.446 32 D N -0.378 120.061 120.400 0.066 0.000 3.076 32 D HA -0.021 4.621 4.640 0.004 0.000 0.218 32 D C 1.072 177.420 176.300 0.080 0.000 1.156 32 D CA 2.494 56.533 54.000 0.066 0.000 0.921 32 D CB -1.177 39.658 40.800 0.059 0.000 1.113 32 D HN 2.278 nan 8.370 nan 0.000 0.418 33 G N -0.099 108.759 108.800 0.097 0.000 5.064 33 G HA2 -0.302 3.660 3.960 0.004 0.000 0.277 33 G HA3 -0.302 3.660 3.960 0.004 0.000 0.277 33 G C 0.150 175.139 174.900 0.147 0.000 1.580 33 G CA 0.240 45.404 45.100 0.107 0.000 1.109 33 G HN 0.438 nan 8.290 nan 0.000 0.695 34 D N 2.007 122.500 120.400 0.155 0.000 2.938 34 D HA 0.450 5.092 4.640 0.004 0.000 0.369 34 D C -0.085 176.467 176.300 0.421 0.000 1.301 34 D CA 0.025 54.165 54.000 0.233 0.000 0.805 34 D CB 0.060 40.900 40.800 0.067 0.000 1.161 34 D HN 0.513 nan 8.370 nan 0.000 0.474 35 K N 0.077 120.681 120.400 0.339 0.000 2.385 35 K HA 0.527 4.850 4.320 0.004 0.000 0.248 35 K C -0.342 176.258 176.600 0.000 0.000 0.955 35 K CA -0.882 55.556 56.287 0.251 0.000 0.816 35 K CB 2.596 35.166 32.500 0.117 0.000 1.250 35 K HN -0.044 nan 8.250 nan 0.000 0.434 36 L N 2.563 123.645 121.223 -0.234 0.000 2.305 36 L HA 0.294 4.636 4.340 0.004 0.000 0.281 36 L C -0.486 176.316 176.870 -0.113 0.000 1.085 36 L CA -0.891 53.772 54.840 -0.295 0.000 0.813 36 L CB 0.574 42.370 42.059 -0.440 0.000 1.157 36 L HN 0.320 nan 8.230 nan 0.000 0.436 37 L N 5.186 126.349 121.223 -0.100 0.000 2.257 37 L HA 0.540 4.882 4.340 0.004 0.000 0.290 37 L C -0.571 176.278 176.870 -0.034 0.000 1.044 37 L CA 0.083 54.899 54.840 -0.040 0.000 0.810 37 L CB 1.318 43.354 42.059 -0.038 0.000 1.193 37 L HN 0.268 nan 8.230 nan 0.000 0.425 38 V N 5.578 125.512 119.914 0.034 0.000 2.789 38 V HA 0.532 4.654 4.120 0.004 0.000 0.311 38 V C -0.608 175.591 176.094 0.175 0.000 1.073 38 V CA -0.738 61.606 62.300 0.073 0.000 0.921 38 V CB 2.410 34.247 31.823 0.024 0.000 1.009 38 V HN 0.469 nan 8.190 nan 0.000 0.426 39 V N 2.896 122.907 119.914 0.161 0.000 2.435 39 V HA 0.757 4.879 4.120 0.004 0.000 0.290 39 V C 0.640 176.824 176.094 0.149 0.000 1.030 39 V CA -0.240 62.105 62.300 0.076 0.000 0.881 39 V CB 1.780 33.577 31.823 -0.044 0.000 0.983 39 V HN 0.986 nan 8.190 nan 0.000 0.445 40 G N 3.486 112.334 108.800 0.080 0.000 2.372 40 G HA2 0.680 4.642 3.960 0.004 0.000 0.323 40 G HA3 0.680 4.642 3.960 0.004 0.000 0.323 40 G C -1.231 173.510 174.900 -0.265 0.000 1.152 40 G CA -0.310 44.774 45.100 -0.028 0.000 0.906 40 G HN 0.439 nan 8.290 nan 0.000 0.460 41 F N 1.242 121.079 119.950 -0.189 0.000 2.482 41 F HA 0.651 5.180 4.527 0.003 0.000 0.331 41 F C 0.536 176.239 175.800 -0.161 0.000 1.115 41 F CA -0.737 57.183 58.000 -0.132 0.000 0.955 41 F CB 2.805 41.739 39.000 -0.110 0.000 1.136 41 F HN 0.448 nan 8.300 nan 0.000 0.452 42 S N 2.583 118.313 115.700 0.050 0.000 2.668 42 S HA 0.286 4.758 4.470 0.004 0.000 0.277 42 S C -0.541 174.069 174.600 0.017 0.000 1.170 42 S CA -0.568 57.636 58.200 0.006 0.000 0.994 42 S CB 0.690 63.869 63.200 -0.034 0.000 1.051 42 S HN 0.786 nan 8.310 nan 0.000 0.484 43 E N 2.756 122.966 120.200 0.018 0.000 2.440 43 E HA -0.252 4.100 4.350 0.004 0.000 0.246 43 E C 0.877 177.492 176.600 0.025 0.000 1.165 43 E CA 0.860 57.267 56.400 0.011 0.000 0.726 43 E CB -1.787 27.911 29.700 -0.004 0.000 1.271 43 E HN 1.667 nan 8.360 nan 0.000 0.397 44 G N 0.059 108.897 108.800 0.063 0.000 2.168 44 G HA2 -0.381 3.581 3.960 0.004 0.000 0.263 44 G HA3 -0.381 3.581 3.960 0.004 0.000 0.263 44 G C 0.159 175.095 174.900 0.060 0.000 0.977 44 G CA 0.699 45.851 45.100 0.087 0.000 0.659 44 G HN 0.578 nan 8.290 nan 0.000 0.533 45 S N -0.257 115.455 115.700 0.021 0.000 2.438 45 S HA 0.628 5.100 4.470 0.004 0.000 0.293 45 S C 0.290 174.824 174.600 -0.111 0.000 1.141 45 S CA -0.331 57.847 58.200 -0.037 0.000 1.080 45 S CB 1.212 64.388 63.200 -0.040 0.000 0.978 45 S HN 0.787 nan 8.310 nan 0.000 0.479 46 V N 6.557 126.354 119.914 -0.195 0.000 2.427 46 V HA 0.562 4.684 4.120 0.004 0.000 0.286 46 V C -0.177 175.706 176.094 -0.351 0.000 1.034 46 V CA -0.867 61.178 62.300 -0.424 0.000 0.893 46 V CB 1.457 32.970 31.823 -0.518 0.000 0.982 46 V HN 0.834 nan 8.190 nan 0.000 0.452 47 N N 2.345 120.807 118.700 -0.398 0.000 2.235 47 N HA 0.710 5.452 4.740 0.004 0.000 0.293 47 N C -0.733 174.452 175.510 -0.542 0.000 1.083 47 N CA -0.370 52.414 53.050 -0.444 0.000 0.801 47 N CB 2.443 40.652 38.487 -0.463 0.000 1.559 47 N HN 0.788 nan 8.380 nan 0.000 0.472 48 A N 1.717 124.207 122.820 -0.550 0.000 2.292 48 A HA 0.748 5.070 4.320 0.004 0.000 0.319 48 A C -1.390 175.904 177.584 -0.482 0.000 1.206 48 A CA -0.313 51.500 52.037 -0.372 0.000 0.835 48 A CB 0.285 19.158 19.000 -0.213 0.000 1.164 48 A HN 0.599 nan 8.150 nan 0.000 0.505 49 Y N 0.552 120.838 120.300 -0.023 0.000 2.576 49 Y HA 0.585 5.137 4.550 0.004 0.000 0.346 49 Y C -0.269 175.630 175.900 -0.001 0.000 1.018 49 Y CA -0.820 57.280 58.100 0.001 0.000 1.050 49 Y CB 1.895 40.377 38.460 0.037 0.000 1.280 49 Y HN 0.529 nan 8.280 nan 0.000 0.474 50 L N 2.390 123.725 121.223 0.186 0.000 2.282 50 L HA 0.369 4.711 4.340 0.004 0.000 0.288 50 L C -1.229 175.719 176.870 0.130 0.000 1.033 50 L CA -0.629 54.275 54.840 0.107 0.000 0.807 50 L CB 0.848 42.945 42.059 0.064 0.000 1.209 50 L HN 0.599 nan 8.230 nan 0.000 0.423 51 Y N 3.869 124.125 120.300 -0.073 0.000 2.364 51 Y HA 0.578 5.130 4.550 0.003 0.000 0.340 51 Y C -1.034 174.811 175.900 -0.092 0.000 0.975 51 Y CA -0.659 57.365 58.100 -0.126 0.000 1.089 51 Y CB 1.392 39.698 38.460 -0.255 0.000 1.192 51 Y HN 0.509 nan 8.280 nan 0.000 0.454 52 D N 3.566 123.533 120.400 -0.722 0.000 2.937 52 D HA 0.324 4.966 4.640 0.004 0.000 0.215 52 D C -0.081 175.847 176.300 -0.620 0.000 1.274 52 D CA 0.429 54.093 54.000 -0.560 0.000 0.869 52 D CB 1.698 42.484 40.800 -0.024 0.000 1.675 52 D HN 1.025 nan 8.370 nan 0.000 0.538 53 G N 2.138 110.664 108.800 -0.456 0.000 2.371 53 G HA2 0.095 4.057 3.960 0.004 0.000 0.299 53 G HA3 0.095 4.057 3.960 0.004 0.000 0.299 53 G C 1.073 175.893 174.900 -0.134 0.000 1.014 53 G CA 1.343 46.348 45.100 -0.159 0.000 1.097 53 G HN 1.490 nan 8.290 nan 0.000 0.512 54 G N -1.475 107.267 108.800 -0.097 0.000 3.586 54 G HA2 0.283 4.246 3.960 0.004 0.000 0.212 54 G HA3 0.283 4.246 3.960 0.004 0.000 0.212 54 G C 0.676 175.615 174.900 0.066 0.000 1.411 54 G CA 1.337 46.479 45.100 0.071 0.000 0.898 54 G HN 2.231 nan 8.290 nan 0.000 0.575 55 E N 1.041 121.227 120.200 -0.023 0.000 2.331 55 E HA 0.650 5.003 4.350 0.004 0.000 0.272 55 E C 0.432 177.034 176.600 0.002 0.000 1.036 55 E CA 0.698 57.097 56.400 -0.002 0.000 0.864 55 E CB 0.801 30.494 29.700 -0.013 0.000 1.035 55 E HN 1.874 nan 8.360 nan 0.000 0.408 56 T N -1.745 112.837 114.554 0.047 0.000 2.861 56 T HA 0.593 4.945 4.350 0.004 0.000 0.287 56 T C -0.716 174.049 174.700 0.109 0.000 1.003 56 T CA -0.551 61.597 62.100 0.079 0.000 0.977 56 T CB 1.084 69.969 68.868 0.028 0.000 0.996 56 T HN 0.561 nan 8.240 nan 0.000 0.448 57 V N 3.648 123.658 119.914 0.159 0.000 2.417 57 V HA 0.506 4.628 4.120 0.004 0.000 0.291 57 V C 0.414 176.652 176.094 0.241 0.000 1.024 57 V CA -1.120 61.276 62.300 0.160 0.000 0.861 57 V CB 1.564 33.436 31.823 0.082 0.000 0.985 57 V HN 1.027 nan 8.190 nan 0.000 0.436 58 K N 3.231 123.753 120.400 0.203 0.000 2.379 58 K HA 0.323 4.645 4.320 0.004 0.000 0.284 58 K C 0.497 177.051 176.600 -0.077 0.000 1.044 58 K CA -0.256 56.025 56.287 -0.009 0.000 0.974 58 K CB 0.763 33.234 32.500 -0.048 0.000 0.962 58 K HN 0.656 nan 8.250 nan 0.000 0.474 59 L N 3.195 124.325 121.223 -0.154 0.000 2.209 59 L HA -0.069 4.274 4.340 0.004 0.000 0.207 59 L C 1.053 177.851 176.870 -0.120 0.000 1.094 59 L CA 0.381 55.159 54.840 -0.103 0.000 0.790 59 L CB -0.196 41.806 42.059 -0.094 0.000 0.932 59 L HN 0.716 nan 8.230 nan 0.000 0.447 60 N N -0.712 117.879 118.700 -0.181 0.000 2.477 60 N HA 0.295 5.038 4.740 0.004 0.000 0.284 60 N C 0.691 176.103 175.510 -0.164 0.000 1.182 60 N CA 0.057 53.001 53.050 -0.177 0.000 0.949 60 N CB 1.227 39.583 38.487 -0.219 0.000 1.204 60 N HN -0.136 nan 8.380 nan 0.000 0.526 61 R N 0.921 121.324 120.500 -0.162 0.000 2.029 61 R HA 0.079 4.421 4.340 0.004 0.000 0.210 61 R C 0.950 177.160 176.300 -0.149 0.000 1.272 61 R CA 0.805 56.822 56.100 -0.137 0.000 0.998 61 R CB -1.450 28.772 30.300 -0.130 0.000 0.823 61 R HN 0.781 nan 8.270 nan 0.000 0.481 62 E N 1.068 121.164 120.200 -0.174 0.000 2.345 62 E HA 0.288 4.640 4.350 0.004 0.000 0.259 62 E C -2.115 174.378 176.600 -0.179 0.000 1.117 62 E CA -2.187 54.117 56.400 -0.160 0.000 0.913 62 E CB 0.515 30.120 29.700 -0.160 0.000 1.057 62 E HN 0.236 nan 8.360 nan 0.000 0.432 63 P HA 0.092 nan 4.420 nan 0.000 0.271 63 P C -0.249 176.958 177.300 -0.155 0.000 1.233 63 P CA 0.260 63.268 63.100 -0.154 0.000 0.789 63 P CB 0.387 32.018 31.700 -0.114 0.000 0.951 64 I N -2.596 117.880 120.570 -0.156 0.000 3.239 64 I HA 0.473 4.645 4.170 0.004 0.000 0.314 64 I C 0.260 176.327 176.117 -0.084 0.000 1.126 64 I CA -0.951 60.276 61.300 -0.121 0.000 0.973 64 I CB 2.114 40.027 38.000 -0.145 0.000 1.252 64 I HN -0.008 nan 8.210 nan 0.000 0.463 65 N N 0.573 119.256 118.700 -0.028 0.000 2.278 65 N HA 0.081 4.823 4.740 0.004 0.000 0.181 65 N C 0.026 175.513 175.510 -0.038 0.000 1.023 65 N CA 1.335 54.384 53.050 -0.001 0.000 0.862 65 N CB 0.231 38.740 38.487 0.037 0.000 1.003 65 N HN 0.858 nan 8.380 nan 0.000 0.431 66 S N -1.826 113.836 115.700 -0.063 0.000 2.694 66 S HA 0.579 5.051 4.470 0.004 0.000 0.273 66 S C -1.298 173.269 174.600 -0.054 0.000 1.180 66 S CA -0.887 57.282 58.200 -0.052 0.000 0.864 66 S CB 0.771 63.973 63.200 0.004 0.000 1.198 66 S HN 0.037 nan 8.310 nan 0.000 0.499 67 V N -0.811 119.085 119.914 -0.029 0.000 2.864 67 V HA 0.715 4.837 4.120 0.004 0.000 0.314 67 V C -0.335 175.766 176.094 0.012 0.000 1.073 67 V CA -1.142 61.147 62.300 -0.019 0.000 0.956 67 V CB 1.149 32.956 31.823 -0.027 0.000 1.023 67 V HN 0.962 nan 8.190 nan 0.000 0.435 68 L N 1.459 122.692 121.223 0.016 0.000 2.436 68 L HA 0.386 4.728 4.340 0.004 0.000 0.265 68 L C -0.070 176.838 176.870 0.064 0.000 1.168 68 L CA -0.326 54.542 54.840 0.047 0.000 0.815 68 L CB 0.587 42.669 42.059 0.039 0.000 1.109 68 L HN 0.699 nan 8.230 nan 0.000 0.462 69 D N 3.458 123.917 120.400 0.099 0.000 2.382 69 D HA 0.140 4.782 4.640 0.004 0.000 0.259 69 D C -2.103 174.271 176.300 0.123 0.000 1.224 69 D CA -0.862 53.208 54.000 0.117 0.000 0.894 69 D CB 0.432 41.331 40.800 0.165 0.000 1.127 69 D HN 0.208 nan 8.370 nan 0.000 0.487 70 P HA 0.108 nan 4.420 nan 0.000 0.279 70 P C -0.435 176.993 177.300 0.213 0.000 1.252 70 P CA -0.352 62.816 63.100 0.114 0.000 0.811 70 P CB 1.095 32.826 31.700 0.051 0.000 1.035 71 H N 0.378 119.503 119.070 0.091 0.000 2.525 71 H HA 0.150 4.708 4.556 0.004 0.000 0.339 71 H C 0.019 175.442 175.328 0.159 0.000 1.109 71 H CA -0.546 55.592 56.048 0.151 0.000 1.352 71 H CB 0.321 30.169 29.762 0.144 0.000 1.461 71 H HN 0.369 nan 8.280 nan 0.000 0.533 72 Y N 1.577 121.925 120.300 0.079 0.000 2.954 72 Y HA -0.201 4.351 4.550 0.003 0.000 0.351 72 Y C 1.593 177.552 175.900 0.099 0.000 1.282 72 Y CA 2.057 60.203 58.100 0.078 0.000 1.614 72 Y CB -0.072 38.413 38.460 0.040 0.000 1.183 72 Y HN 1.069 nan 8.280 nan 0.000 0.566 73 G N 0.832 109.741 108.800 0.181 0.000 2.358 73 G HA2 -0.306 3.657 3.960 0.004 0.000 0.224 73 G HA3 -0.306 3.657 3.960 0.004 0.000 0.224 73 G C 0.050 175.019 174.900 0.115 0.000 1.073 73 G CA -0.310 44.882 45.100 0.153 0.000 0.635 73 G HN 1.278 nan 8.290 nan 0.000 0.509 74 V N 0.968 120.958 119.914 0.126 0.000 2.644 74 V HA 0.387 4.509 4.120 0.004 0.000 0.303 74 V C 1.627 177.763 176.094 0.070 0.000 1.058 74 V CA 0.966 63.327 62.300 0.101 0.000 1.228 74 V CB 0.423 32.309 31.823 0.105 0.000 0.861 74 V HN 1.588 nan 8.190 nan 0.000 0.484 75 G N 5.334 114.170 108.800 0.060 0.000 3.135 75 G HA2 0.173 4.136 3.960 0.004 0.000 0.208 75 G HA3 0.173 4.136 3.960 0.004 0.000 0.208 75 G C 0.597 175.519 174.900 0.037 0.000 1.212 75 G CA 0.309 45.438 45.100 0.047 0.000 0.928 75 G HN 1.216 nan 8.290 nan 0.000 0.500 76 R N -2.500 118.022 120.500 0.037 0.000 2.716 76 R HA 0.622 4.964 4.340 0.004 0.000 0.271 76 R C -2.226 174.089 176.300 0.024 0.000 1.028 76 R CA -0.746 55.370 56.100 0.027 0.000 0.883 76 R CB 1.165 31.480 30.300 0.025 0.000 1.250 76 R HN -0.112 nan 8.270 nan 0.000 0.465 77 V N 1.922 121.845 119.914 0.015 0.000 2.735 77 V HA 0.505 4.628 4.120 0.004 0.000 0.310 77 V C -0.414 175.685 176.094 0.009 0.000 1.061 77 V CA -1.003 61.302 62.300 0.009 0.000 0.913 77 V CB 2.123 33.943 31.823 -0.005 0.000 1.005 77 V HN 0.572 nan 8.190 nan 0.000 0.428 78 I N 4.988 125.562 120.570 0.006 0.000 2.328 78 I HA 0.396 4.568 4.170 0.004 0.000 0.287 78 I C -0.150 175.969 176.117 0.004 0.000 1.012 78 I CA -0.178 61.123 61.300 0.001 0.000 1.195 78 I CB 1.315 39.301 38.000 -0.022 0.000 1.350 78 I HN 0.413 nan 8.210 nan 0.000 0.464 79 L N 6.391 127.637 121.223 0.039 0.000 2.395 79 L HA 0.428 4.770 4.340 0.004 0.000 0.269 79 L C -0.049 176.871 176.870 0.084 0.000 1.133 79 L CA -0.715 54.149 54.840 0.040 0.000 0.812 79 L CB 1.185 43.262 42.059 0.029 0.000 1.125 79 L HN 0.216 nan 8.230 nan 0.000 0.452 80 V N 3.269 123.203 119.914 0.032 0.000 2.313 80 V HA 0.433 4.555 4.120 0.004 0.000 0.278 80 V C -0.053 176.087 176.094 0.077 0.000 1.017 80 V CA -0.566 61.751 62.300 0.028 0.000 0.823 80 V CB 1.105 32.870 31.823 -0.096 0.000 1.010 80 V HN 0.682 nan 8.190 nan 0.000 0.443 81 R N 2.682 123.315 120.500 0.222 0.000 2.494 81 R HA 0.380 4.722 4.340 0.004 0.000 0.305 81 R C -0.752 175.723 176.300 0.291 0.000 0.959 81 R CA -0.700 55.515 56.100 0.191 0.000 0.864 81 R CB 1.424 31.752 30.300 0.046 0.000 1.159 81 R HN 0.742 nan 8.270 nan 0.000 0.446 82 D N 3.253 123.811 120.400 0.263 0.000 2.450 82 D HA -0.035 4.607 4.640 0.004 0.000 0.247 82 D C -0.391 175.943 176.300 0.058 0.000 1.162 82 D CA 0.351 54.409 54.000 0.098 0.000 0.879 82 D CB 1.489 42.307 40.800 0.030 0.000 1.163 82 D HN 0.277 nan 8.370 nan 0.000 0.472 83 V N 3.475 123.411 119.914 0.037 0.000 2.887 83 V HA 0.190 4.313 4.120 0.004 0.000 0.370 83 V C 0.435 176.532 176.094 0.005 0.000 1.322 83 V CA 0.681 63.011 62.300 0.050 0.000 1.267 83 V CB -0.335 31.552 31.823 0.107 0.000 1.344 83 V HN 0.633 nan 8.190 nan 0.000 0.573 84 S N -0.722 114.965 115.700 -0.021 0.000 3.101 84 S HA 0.315 4.787 4.470 0.004 0.000 0.252 84 S C 0.793 175.377 174.600 -0.026 0.000 0.920 84 S CA 0.650 58.834 58.200 -0.027 0.000 1.158 84 S CB 0.595 63.768 63.200 -0.045 0.000 1.125 84 S HN 1.266 nan 8.310 nan 0.000 0.608 85 K N 0.200 120.589 120.400 -0.020 0.000 3.160 85 K HA 0.008 4.330 4.320 0.004 0.000 0.280 85 K C 1.812 178.402 176.600 -0.017 0.000 1.154 85 K CA 1.788 58.065 56.287 -0.016 0.000 0.822 85 K CB -2.751 29.741 32.500 -0.013 0.000 1.239 85 K HN 2.352 nan 8.250 nan 0.000 0.489 86 G N -3.417 105.369 108.800 -0.024 0.000 2.421 86 G HA2 0.375 4.337 3.960 0.004 0.000 0.188 86 G HA3 0.375 4.337 3.960 0.004 0.000 0.188 86 G C 1.240 176.119 174.900 -0.035 0.000 1.001 86 G CA 1.024 46.112 45.100 -0.021 0.000 0.693 86 G HN 1.998 nan 8.290 nan 0.000 0.479 87 A N 0.787 123.577 122.820 -0.049 0.000 2.261 87 A HA 0.475 4.797 4.320 0.004 0.000 0.208 87 A C 1.303 178.829 177.584 -0.097 0.000 1.223 87 A CA 1.533 53.538 52.037 -0.053 0.000 0.833 87 A CB -0.463 18.512 19.000 -0.041 0.000 0.830 87 A HN 0.881 nan 8.150 nan 0.000 0.483 88 E N -0.885 119.217 120.200 -0.163 0.000 2.328 88 E HA -0.163 4.190 4.350 0.004 0.000 0.233 88 E C -0.716 175.617 176.600 -0.444 0.000 1.219 88 E CA 1.110 57.320 56.400 -0.317 0.000 0.717 88 E CB -2.290 27.364 29.700 -0.077 0.000 1.210 88 E HN 0.647 nan 8.360 nan 0.000 0.381 89 Q N 0.060 119.614 119.800 -0.409 0.000 2.456 89 Q HA 0.335 4.677 4.340 0.004 0.000 0.252 89 Q C -0.570 175.288 176.000 -0.237 0.000 1.042 89 Q CA -0.435 55.220 55.803 -0.247 0.000 0.766 89 Q CB 0.876 29.557 28.738 -0.095 0.000 1.196 89 Q HN 0.337 nan 8.270 nan 0.000 0.504 90 H N 0.098 119.187 119.070 0.032 0.000 2.488 90 H HA 0.816 5.374 4.556 0.004 0.000 0.347 90 H C 0.160 175.487 175.328 -0.002 0.000 1.174 90 H CA -0.274 55.796 56.048 0.036 0.000 1.307 90 H CB 1.269 31.055 29.762 0.039 0.000 1.517 90 H HN 0.727 nan 8.280 nan 0.000 0.554 91 A N 1.700 124.608 122.820 0.147 0.000 2.322 91 A HA 0.616 4.938 4.320 0.004 0.000 0.327 91 A C -0.872 176.631 177.584 -0.135 0.000 1.134 91 A CA -0.827 51.159 52.037 -0.085 0.000 0.831 91 A CB 0.835 19.696 19.000 -0.232 0.000 1.288 91 A HN 0.582 nan 8.150 nan 0.000 0.472 92 L N 0.541 121.545 121.223 -0.365 0.000 2.309 92 L HA 0.556 4.898 4.340 0.004 0.000 0.282 92 L C -1.481 175.096 176.870 -0.487 0.000 1.036 92 L CA -0.154 54.507 54.840 -0.298 0.000 0.806 92 L CB 1.149 43.000 42.059 -0.347 0.000 1.220 92 L HN 0.633 nan 8.230 nan 0.000 0.429 93 F N 1.222 121.119 119.950 -0.087 0.000 2.499 93 F HA 0.437 4.966 4.527 0.004 0.000 0.333 93 F C 0.587 176.349 175.800 -0.063 0.000 1.138 93 F CA -0.745 57.215 58.000 -0.067 0.000 0.945 93 F CB 1.430 40.396 39.000 -0.058 0.000 1.181 93 F HN 0.414 nan 8.300 nan 0.000 0.435 94 K N 1.740 122.184 120.400 0.074 0.000 2.270 94 K HA 0.767 5.089 4.320 0.004 0.000 0.276 94 K C -0.903 175.731 176.600 0.056 0.000 1.023 94 K CA -0.405 55.907 56.287 0.041 0.000 0.955 94 K CB 1.084 33.591 32.500 0.011 0.000 0.975 94 K HN 0.520 nan 8.250 nan 0.000 0.471 95 V N 3.498 123.431 119.914 0.032 0.000 2.569 95 V HA 0.251 4.373 4.120 0.004 0.000 0.301 95 V C -0.720 175.382 176.094 0.014 0.000 1.044 95 V CA -1.395 60.916 62.300 0.019 0.000 0.874 95 V CB 1.823 33.647 31.823 0.001 0.000 1.002 95 V HN 0.961 nan 8.190 nan 0.000 0.424 96 N N 2.239 120.947 118.700 0.014 0.000 2.520 96 N HA 0.129 4.871 4.740 0.004 0.000 0.273 96 N C 1.330 176.848 175.510 0.014 0.000 1.155 96 N CA 0.426 53.486 53.050 0.016 0.000 0.967 96 N CB 2.038 40.535 38.487 0.017 0.000 1.092 96 N HN 0.884 nan 8.380 nan 0.000 0.457 97 T N -1.821 112.744 114.554 0.018 0.000 3.035 97 T HA -0.040 4.312 4.350 0.004 0.000 0.268 97 T C 1.569 176.281 174.700 0.019 0.000 1.109 97 T CA 0.742 62.853 62.100 0.019 0.000 1.119 97 T CB 0.050 68.933 68.868 0.026 0.000 0.900 97 T HN 0.277 nan 8.240 nan 0.000 0.503 98 S N 1.192 116.903 115.700 0.018 0.000 2.395 98 S HA 0.210 4.682 4.470 0.004 0.000 0.225 98 S C 1.633 176.240 174.600 0.012 0.000 1.027 98 S CA 0.818 59.028 58.200 0.017 0.000 0.965 98 S CB -0.210 63.000 63.200 0.017 0.000 0.812 98 S HN 0.846 nan 8.310 nan 0.000 0.482 99 R N 2.680 123.186 120.500 0.010 0.000 2.575 99 R HA 0.494 4.836 4.340 0.004 0.000 0.281 99 R C -3.145 173.157 176.300 0.002 0.000 1.272 99 R CA -2.265 53.839 56.100 0.007 0.000 1.417 99 R CB -0.966 29.338 30.300 0.007 0.000 1.121 99 R HN 0.255 nan 8.270 nan 0.000 0.583 100 P HA 0.275 nan 4.420 nan 0.000 0.272 100 P C 0.779 178.069 177.300 -0.017 0.000 1.223 100 P CA 1.355 64.450 63.100 -0.009 0.000 0.784 100 P CB 1.486 33.185 31.700 -0.002 0.000 0.923 101 G N 1.162 109.942 108.800 -0.033 0.000 2.176 101 G HA2 -0.214 3.748 3.960 0.004 0.000 0.253 101 G HA3 -0.214 3.748 3.960 0.004 0.000 0.253 101 G C -0.217 174.663 174.900 -0.034 0.000 0.979 101 G CA -0.148 44.927 45.100 -0.041 0.000 0.641 101 G HN 0.626 nan 8.290 nan 0.000 0.530 102 E N 1.138 121.326 120.200 -0.021 0.000 2.149 102 E HA 0.555 4.908 4.350 0.004 0.000 0.255 102 E C -0.011 176.592 176.600 0.006 0.000 0.888 102 E CA 0.256 56.652 56.400 -0.007 0.000 0.742 102 E CB 1.012 30.712 29.700 0.001 0.000 1.164 102 E HN 0.560 nan 8.360 nan 0.000 0.422 103 E N 3.528 123.736 120.200 0.013 0.000 2.109 103 E HA 0.138 4.490 4.350 0.004 0.000 0.278 103 E C -0.574 176.104 176.600 0.131 0.000 0.954 103 E CA -0.740 55.698 56.400 0.063 0.000 0.779 103 E CB 1.437 31.138 29.700 0.003 0.000 1.093 103 E HN 0.452 nan 8.360 nan 0.000 0.401 104 Q N 2.145 122.017 119.800 0.120 0.000 2.331 104 Q HA 0.315 4.657 4.340 0.004 0.000 0.257 104 Q C -0.041 176.006 176.000 0.078 0.000 0.957 104 Q CA -0.561 55.294 55.803 0.086 0.000 0.923 104 Q CB 0.773 29.531 28.738 0.034 0.000 1.212 104 Q HN 0.647 nan 8.270 nan 0.000 0.443 105 R N 4.194 124.718 120.500 0.039 0.000 2.491 105 R HA 0.181 4.524 4.340 0.004 0.000 0.283 105 R C -0.696 175.462 176.300 -0.237 0.000 1.072 105 R CA -0.167 55.772 56.100 -0.267 0.000 1.048 105 R CB 0.432 30.552 30.300 -0.300 0.000 0.983 105 R HN 0.634 nan 8.270 nan 0.000 0.450 106 L N 5.830 126.858 121.223 -0.324 0.000 2.328 106 L HA 0.166 4.508 4.340 0.004 0.000 0.280 106 L C 0.735 177.482 176.870 -0.204 0.000 1.111 106 L CA -0.015 54.698 54.840 -0.212 0.000 0.909 106 L CB 0.976 42.911 42.059 -0.206 0.000 1.277 106 L HN 0.768 nan 8.230 nan 0.000 0.433 107 E N 1.845 121.959 120.200 -0.143 0.000 2.481 107 E HA -0.041 4.311 4.350 0.004 0.000 0.195 107 E C 1.754 178.303 176.600 -0.085 0.000 1.047 107 E CA 0.540 56.870 56.400 -0.117 0.000 0.867 107 E CB 0.477 30.128 29.700 -0.082 0.000 0.858 107 E HN 0.799 nan 8.360 nan 0.000 0.513 108 A N 1.229 124.005 122.820 -0.072 0.000 2.067 108 A HA -0.001 4.322 4.320 0.004 0.000 0.217 108 A C 1.362 178.914 177.584 -0.054 0.000 1.156 108 A CA 0.365 52.375 52.037 -0.046 0.000 0.683 108 A CB 0.199 19.186 19.000 -0.022 0.000 0.808 108 A HN 0.038 nan 8.150 nan 0.000 0.455 109 V N 2.771 122.633 119.914 -0.087 0.000 2.320 109 V HA 0.150 4.272 4.120 0.004 0.000 0.265 109 V C 0.456 176.481 176.094 -0.115 0.000 1.048 109 V CA -0.805 61.434 62.300 -0.102 0.000 0.865 109 V CB 0.197 31.925 31.823 -0.159 0.000 1.043 109 V HN 0.643 nan 8.190 nan 0.000 0.474 110 K N 5.987 126.333 120.400 -0.091 0.000 2.286 110 K HA 0.288 4.610 4.320 0.004 0.000 0.256 110 K C -2.566 173.998 176.600 -0.061 0.000 0.999 110 K CA -1.148 55.098 56.287 -0.069 0.000 0.908 110 K CB -0.045 32.428 32.500 -0.045 0.000 0.981 110 K HN 0.309 nan 8.250 nan 0.000 0.500 111 P HA 0.045 nan 4.420 nan 0.000 0.271 111 P C -0.719 176.586 177.300 0.008 0.000 1.216 111 P CA 0.011 63.099 63.100 -0.021 0.000 0.776 111 P CB 0.617 32.306 31.700 -0.020 0.000 0.881 112 M N -0.443 119.185 119.600 0.045 0.000 2.895 112 M HA 0.423 4.905 4.480 0.004 0.000 0.271 112 M C -1.150 175.250 176.300 0.168 0.000 1.174 112 M CA -1.159 54.196 55.300 0.091 0.000 0.816 112 M CB 2.105 34.772 32.600 0.110 0.000 1.647 112 M HN -0.067 nan 8.290 nan 0.000 0.506 113 R N 2.095 122.707 120.500 0.187 0.000 2.351 113 R HA 0.359 4.701 4.340 0.004 0.000 0.321 113 R C -0.849 175.630 176.300 0.299 0.000 1.182 113 R CA -0.356 55.906 56.100 0.270 0.000 1.011 113 R CB -0.011 30.403 30.300 0.190 0.000 1.048 113 R HN 0.550 nan 8.270 nan 0.000 0.490 114 I N 6.351 127.133 120.570 0.354 0.000 2.496 114 I HA -0.043 4.129 4.170 0.004 0.000 0.285 114 I C 1.121 177.292 176.117 0.090 0.000 1.080 114 I CA 0.208 61.611 61.300 0.171 0.000 1.404 114 I CB 1.147 39.158 38.000 0.018 0.000 1.403 114 I HN 0.774 nan 8.210 nan 0.000 0.539 115 L N 4.411 125.713 121.223 0.131 0.000 2.577 115 L HA 0.145 4.487 4.340 0.004 0.000 0.225 115 L C 0.509 177.511 176.870 0.219 0.000 1.053 115 L CA 0.300 55.197 54.840 0.096 0.000 0.866 115 L CB 0.251 42.236 42.059 -0.123 0.000 1.132 115 L HN 0.831 nan 8.230 nan 0.000 0.486 116 S N -1.315 114.520 115.700 0.227 0.000 2.633 116 S HA 0.730 5.202 4.470 0.004 0.000 0.271 116 S C -0.789 173.977 174.600 0.277 0.000 1.112 116 S CA -0.161 58.206 58.200 0.279 0.000 0.828 116 S CB 1.585 65.015 63.200 0.382 0.000 1.086 116 S HN 0.139 nan 8.310 nan 0.000 0.461 117 G N -0.191 108.756 108.800 0.246 0.000 2.556 117 G HA2 0.557 4.519 3.960 0.004 0.000 0.294 117 G HA3 0.557 4.519 3.960 0.004 0.000 0.294 117 G C -2.037 172.980 174.900 0.195 0.000 1.516 117 G CA -0.327 44.927 45.100 0.257 0.000 0.824 117 G HN 1.281 nan 8.290 nan 0.000 0.535 118 V N 0.771 120.797 119.914 0.187 0.000 2.604 118 V HA 0.607 4.730 4.120 0.004 0.000 0.305 118 V C -1.086 175.064 176.094 0.094 0.000 1.043 118 V CA -0.631 61.753 62.300 0.140 0.000 0.888 118 V CB 2.065 33.968 31.823 0.132 0.000 0.995 118 V HN 0.799 nan 8.190 nan 0.000 0.429 119 D N 2.134 122.572 120.400 0.062 0.000 2.414 119 D HA 0.290 4.932 4.640 0.004 0.000 0.232 119 D C 1.125 177.389 176.300 -0.060 0.000 1.070 119 D CA -0.021 53.993 54.000 0.024 0.000 0.839 119 D CB 1.917 42.741 40.800 0.041 0.000 1.079 119 D HN 0.681 nan 8.370 nan 0.000 0.521 120 T N 0.798 115.263 114.554 -0.147 0.000 3.118 120 T HA 0.237 4.589 4.350 0.004 0.000 0.260 120 T C 1.553 176.214 174.700 -0.064 0.000 1.139 120 T CA 0.756 62.675 62.100 -0.301 0.000 1.085 120 T CB -0.009 68.708 68.868 -0.252 0.000 0.934 120 T HN 0.613 nan 8.240 nan 0.000 0.518 121 G N 0.155 108.955 108.800 -0.000 0.000 2.383 121 G HA2 -0.332 3.630 3.960 0.004 0.000 0.229 121 G HA3 -0.332 3.630 3.960 0.004 0.000 0.229 121 G C 1.037 175.956 174.900 0.031 0.000 1.089 121 G CA 0.540 45.663 45.100 0.038 0.000 0.640 121 G HN 0.517 nan 8.290 nan 0.000 0.510 122 E N -0.098 120.115 120.200 0.021 0.000 2.201 122 E HA 0.652 5.004 4.350 0.004 0.000 0.193 122 E C 1.104 177.719 176.600 0.025 0.000 0.957 122 E CA 1.432 57.847 56.400 0.024 0.000 0.858 122 E CB 0.748 30.463 29.700 0.026 0.000 0.816 122 E HN 1.683 nan 8.360 nan 0.000 0.475 123 A N -0.373 122.459 122.820 0.019 0.000 2.469 123 A HA 0.716 5.038 4.320 0.004 0.000 0.299 123 A C -1.070 176.546 177.584 0.052 0.000 1.098 123 A CA -0.523 51.538 52.037 0.040 0.000 0.737 123 A CB 2.248 21.274 19.000 0.043 0.000 1.312 123 A HN 0.131 nan 8.150 nan 0.000 0.414 124 V N 1.699 121.675 119.914 0.104 0.000 2.334 124 V HA 0.426 4.549 4.120 0.004 0.000 0.281 124 V C -0.690 175.584 176.094 0.300 0.000 1.016 124 V CA -0.346 62.048 62.300 0.157 0.000 0.832 124 V CB 1.327 33.219 31.823 0.115 0.000 0.999 124 V HN 0.637 nan 8.190 nan 0.000 0.439 125 V N 7.487 127.558 119.914 0.263 0.000 2.357 125 V HA 0.643 4.765 4.120 0.004 0.000 0.284 125 V C -0.393 175.914 176.094 0.355 0.000 1.018 125 V CA -0.450 61.998 62.300 0.248 0.000 0.841 125 V CB 0.969 32.872 31.823 0.134 0.000 0.991 125 V HN 0.776 nan 8.190 nan 0.000 0.437 126 F N 1.853 121.899 119.950 0.159 0.000 2.643 126 F HA 0.904 5.433 4.527 0.004 0.000 0.314 126 F C -0.176 175.757 175.800 0.220 0.000 1.096 126 F CA -0.853 57.252 58.000 0.174 0.000 0.953 126 F CB 1.921 41.006 39.000 0.141 0.000 1.345 126 F HN 0.404 nan 8.300 nan 0.000 0.468 127 T N -0.951 113.779 114.554 0.293 0.000 2.888 127 T HA 0.896 5.248 4.350 0.004 0.000 0.284 127 T C -0.443 174.442 174.700 0.308 0.000 1.017 127 T CA -0.409 61.796 62.100 0.175 0.000 1.022 127 T CB 1.373 70.304 68.868 0.106 0.000 1.013 127 T HN 1.524 nan 8.240 nan 0.000 0.465 128 G N -0.031 108.947 108.800 0.296 0.000 2.703 128 G HA2 0.696 4.659 3.960 0.004 0.000 0.294 128 G HA3 0.696 4.659 3.960 0.004 0.000 0.294 128 G C -1.448 173.626 174.900 0.290 0.000 1.451 128 G CA -0.562 44.743 45.100 0.341 0.000 0.869 128 G HN 1.070 nan 8.290 nan 0.000 0.516 129 A N 0.514 123.486 122.820 0.254 0.000 2.330 129 A HA 0.952 5.274 4.320 0.004 0.000 0.327 129 A C 0.507 178.201 177.584 0.182 0.000 1.155 129 A CA 0.175 52.344 52.037 0.219 0.000 0.803 129 A CB 1.400 20.579 19.000 0.299 0.000 1.208 129 A HN 1.770 nan 8.150 nan 0.000 0.477 130 T N -1.904 112.735 114.554 0.141 0.000 2.762 130 T HA 0.672 5.024 4.350 0.004 0.000 0.272 130 T C 1.256 176.001 174.700 0.075 0.000 0.982 130 T CA 0.475 62.638 62.100 0.106 0.000 1.013 130 T CB 0.664 69.596 68.868 0.107 0.000 1.309 130 T HN 0.959 nan 8.240 nan 0.000 0.572 131 E N 0.325 120.558 120.200 0.055 0.000 2.219 131 E HA -0.146 4.206 4.350 0.004 0.000 0.198 131 E C 1.242 177.858 176.600 0.026 0.000 0.998 131 E CA 1.904 58.327 56.400 0.038 0.000 0.818 131 E CB -1.017 28.700 29.700 0.028 0.000 0.741 131 E HN 0.886 nan 8.360 nan 0.000 0.477 132 D N -2.131 118.282 120.400 0.023 0.000 2.520 132 D HA 0.114 4.756 4.640 0.004 0.000 0.223 132 D C 0.656 176.947 176.300 -0.015 0.000 1.186 132 D CA 0.257 54.259 54.000 0.003 0.000 0.821 132 D CB -0.023 40.779 40.800 0.002 0.000 1.072 132 D HN 0.561 nan 8.370 nan 0.000 0.518 133 R N -1.455 119.040 120.500 -0.007 0.000 2.774 133 R HA 0.528 4.871 4.340 0.004 0.000 0.279 133 R C -2.043 174.243 176.300 -0.023 0.000 1.022 133 R CA -0.899 55.177 56.100 -0.041 0.000 0.855 133 R CB 0.472 30.742 30.300 -0.049 0.000 1.279 133 R HN -0.168 nan 8.270 nan 0.000 0.485 134 V N 0.362 120.229 119.914 -0.078 0.000 2.612 134 V HA 0.883 5.005 4.120 0.004 0.000 0.301 134 V C -0.103 175.915 176.094 -0.128 0.000 1.046 134 V CA -0.100 62.172 62.300 -0.046 0.000 0.946 134 V CB 1.369 33.156 31.823 -0.060 0.000 1.003 134 V HN 0.975 nan 8.190 nan 0.000 0.459 135 A N 3.407 126.125 122.820 -0.171 0.000 2.572 135 A HA 0.814 5.137 4.320 0.004 0.000 0.295 135 A C -1.582 175.668 177.584 -0.557 0.000 1.072 135 A CA -0.587 51.174 52.037 -0.461 0.000 0.691 135 A CB 1.627 20.170 19.000 -0.762 0.000 1.291 135 A HN 0.805 nan 8.150 nan 0.000 0.404 136 L N 1.689 122.578 121.223 -0.557 0.000 2.264 136 L HA 0.701 5.043 4.340 0.004 0.000 0.289 136 L C -1.420 175.090 176.870 -0.601 0.000 1.044 136 L CA -0.017 54.577 54.840 -0.410 0.000 0.807 136 L CB 0.067 42.018 42.059 -0.180 0.000 1.192 136 L HN 0.615 nan 8.230 nan 0.000 0.425 137 Y N 3.481 123.496 120.300 -0.475 0.000 2.528 137 Y HA 0.810 5.362 4.550 0.004 0.000 0.335 137 Y C 0.200 175.864 175.900 -0.393 0.000 1.093 137 Y CA -0.701 57.058 58.100 -0.568 0.000 1.134 137 Y CB 1.988 39.788 38.460 -1.099 0.000 1.253 137 Y HN 0.676 nan 8.280 nan 0.000 0.478 138 A N 1.232 124.055 122.820 0.006 0.000 2.374 138 A HA 0.854 5.176 4.320 0.004 0.000 0.305 138 A C -1.530 176.147 177.584 0.155 0.000 1.053 138 A CA -0.527 51.562 52.037 0.086 0.000 0.726 138 A CB 0.455 19.489 19.000 0.057 0.000 1.229 138 A HN 1.004 nan 8.150 nan 0.000 0.431 139 L N 1.635 122.990 121.223 0.219 0.000 2.356 139 L HA 0.929 5.271 4.340 0.004 0.000 0.277 139 L C -0.460 176.475 176.870 0.107 0.000 0.996 139 L CA -0.151 54.793 54.840 0.173 0.000 0.822 139 L CB 0.798 42.985 42.059 0.213 0.000 1.256 139 L HN 1.111 nan 8.230 nan 0.000 0.413 140 D N 0.593 121.036 120.400 0.072 0.000 2.895 140 D HA 0.609 5.251 4.640 0.004 0.000 0.320 140 D C 1.068 177.389 176.300 0.036 0.000 1.249 140 D CA 0.261 54.291 54.000 0.050 0.000 0.997 140 D CB 0.846 41.674 40.800 0.045 0.000 1.430 140 D HN 0.630 nan 8.370 nan 0.000 0.558 141 G N -0.854 107.963 108.800 0.028 0.000 2.547 141 G HA2 -0.144 3.818 3.960 0.004 0.000 0.221 141 G HA3 -0.144 3.818 3.960 0.004 0.000 0.221 141 G C 1.212 176.124 174.900 0.020 0.000 1.140 141 G CA 0.906 46.019 45.100 0.021 0.000 0.760 141 G HN 0.687 nan 8.290 nan 0.000 0.583 142 G N -0.327 108.486 108.800 0.023 0.000 3.262 142 G HA2 0.517 4.479 3.960 0.004 0.000 0.228 142 G HA3 0.517 4.479 3.960 0.004 0.000 0.228 142 G C 0.774 175.688 174.900 0.024 0.000 1.197 142 G CA 0.537 45.649 45.100 0.021 0.000 0.819 142 G HN 1.402 nan 8.290 nan 0.000 0.531 143 G N -0.740 108.077 108.800 0.028 0.000 2.631 143 G HA2 0.074 4.036 3.960 0.004 0.000 0.504 143 G HA3 0.074 4.036 3.960 0.004 0.000 0.504 143 G C -0.784 174.146 174.900 0.050 0.000 1.306 143 G CA -0.454 44.664 45.100 0.031 0.000 0.897 143 G HN 0.778 nan 8.290 nan 0.000 0.520 144 L N 0.543 121.798 121.223 0.054 0.000 2.371 144 L HA 0.826 5.169 4.340 0.004 0.000 0.272 144 L C 0.756 177.678 176.870 0.087 0.000 1.124 144 L CA -0.163 54.727 54.840 0.083 0.000 0.816 144 L CB 0.772 42.870 42.059 0.064 0.000 1.129 144 L HN 0.698 nan 8.230 nan 0.000 0.448 145 R N 3.295 123.862 120.500 0.112 0.000 2.628 145 R HA 0.343 4.685 4.340 0.004 0.000 0.288 145 R C -1.159 175.210 176.300 0.115 0.000 0.980 145 R CA -0.754 55.400 56.100 0.090 0.000 0.891 145 R CB 1.804 32.133 30.300 0.048 0.000 1.188 145 R HN 0.604 nan 8.270 nan 0.000 0.450 146 E N 3.720 123.960 120.200 0.066 0.000 2.105 146 E HA 0.083 4.435 4.350 0.004 0.000 0.285 146 E C 0.448 176.970 176.600 -0.131 0.000 1.055 146 E CA -0.136 56.204 56.400 -0.100 0.000 0.843 146 E CB 0.689 30.330 29.700 -0.098 0.000 1.067 146 E HN 0.550 nan 8.360 nan 0.000 0.398 147 L N 3.271 124.391 121.223 -0.171 0.000 2.240 147 L HA 0.172 4.514 4.340 0.004 0.000 0.211 147 L C 0.713 177.501 176.870 -0.137 0.000 1.106 147 L CA 0.495 55.266 54.840 -0.115 0.000 0.793 147 L CB -0.079 41.932 42.059 -0.081 0.000 0.927 147 L HN 0.517 nan 8.230 nan 0.000 0.446 148 A N -1.265 121.425 122.820 -0.216 0.000 2.585 148 A HA 0.424 4.746 4.320 0.004 0.000 0.299 148 A C -0.852 176.564 177.584 -0.281 0.000 1.047 148 A CA -0.593 51.315 52.037 -0.214 0.000 0.723 148 A CB 1.016 19.904 19.000 -0.187 0.000 1.275 148 A HN -0.161 nan 8.150 nan 0.000 0.408 149 R N 0.742 121.097 120.500 -0.242 0.000 2.539 149 R HA 0.732 5.074 4.340 0.004 0.000 0.275 149 R C -0.629 175.492 176.300 -0.298 0.000 1.077 149 R CA -0.008 55.944 56.100 -0.246 0.000 1.097 149 R CB 0.305 30.491 30.300 -0.190 0.000 1.018 149 R HN 0.667 nan 8.270 nan 0.000 0.483 150 L N 4.961 125.998 121.223 -0.310 0.000 2.365 150 L HA 0.447 4.789 4.340 0.004 0.000 0.273 150 L C -1.455 175.160 176.870 -0.426 0.000 1.000 150 L CA -2.323 52.261 54.840 -0.427 0.000 0.819 150 L CB 2.524 44.404 42.059 -0.299 0.000 1.284 150 L HN 0.570 nan 8.230 nan 0.000 0.418 151 P HA -0.044 nan 4.420 nan 0.000 0.222 151 P C 0.486 177.668 177.300 -0.197 0.000 1.147 151 P CA 0.601 63.434 63.100 -0.447 0.000 0.790 151 P CB 0.394 31.738 31.700 -0.593 0.000 0.780 152 G N -2.507 106.277 108.800 -0.027 0.000 2.731 152 G HA2 0.427 4.389 3.960 0.004 0.000 0.309 152 G HA3 0.427 4.389 3.960 0.004 0.000 0.309 152 G C -1.432 173.535 174.900 0.111 0.000 1.273 152 G CA -0.750 44.370 45.100 0.032 0.000 0.798 152 G HN -0.202 nan 8.290 nan 0.000 0.509 153 F N 1.027 121.118 119.950 0.235 0.000 2.608 153 F HA 0.470 4.999 4.527 0.004 0.000 0.380 153 F C 1.174 177.071 175.800 0.162 0.000 1.083 153 F CA 0.755 58.809 58.000 0.090 0.000 1.266 153 F CB 0.801 39.806 39.000 0.010 0.000 1.076 153 F HN 0.524 nan 8.300 nan 0.000 0.574 154 G N 2.820 111.678 108.800 0.097 0.000 2.620 154 G HA2 0.681 4.643 3.960 0.004 0.000 0.301 154 G HA3 0.681 4.643 3.960 0.004 0.000 0.301 154 G C -2.000 172.873 174.900 -0.045 0.000 1.347 154 G CA -0.658 44.547 45.100 0.175 0.000 0.971 154 G HN 0.309 nan 8.290 nan 0.000 0.488 155 F N 0.674 120.895 119.950 0.452 0.000 2.540 155 F HA 0.487 5.017 4.527 0.004 0.000 0.317 155 F C 0.236 176.201 175.800 0.275 0.000 1.104 155 F CA -1.068 57.128 58.000 0.327 0.000 0.913 155 F CB 2.444 41.591 39.000 0.245 0.000 1.170 155 F HN 0.245 nan 8.300 nan 0.000 0.450 156 V N 2.589 122.732 119.914 0.382 0.000 2.488 156 V HA 0.181 4.303 4.120 0.004 0.000 0.277 156 V C 0.318 176.511 176.094 0.166 0.000 1.046 156 V CA 0.269 62.705 62.300 0.227 0.000 0.986 156 V CB 1.087 33.046 31.823 0.228 0.000 0.989 156 V HN 0.996 nan 8.190 nan 0.000 0.475 157 S N 2.461 118.192 115.700 0.053 0.000 2.510 157 S HA 0.152 4.625 4.470 0.004 0.000 0.230 157 S C 0.246 174.892 174.600 0.076 0.000 1.066 157 S CA 0.197 58.427 58.200 0.051 0.000 0.941 157 S CB 0.209 63.380 63.200 -0.049 0.000 0.829 157 S HN 0.900 nan 8.310 nan 0.000 0.530 158 D N -0.928 119.501 120.400 0.048 0.000 2.623 158 D HA 0.496 5.138 4.640 0.004 0.000 0.241 158 D C -1.867 174.494 176.300 0.100 0.000 1.241 158 D CA -0.456 53.605 54.000 0.102 0.000 0.788 158 D CB 1.275 42.119 40.800 0.072 0.000 1.413 158 D HN 0.004 nan 8.370 nan 0.000 0.429 159 I N 1.724 122.400 120.570 0.177 0.000 2.569 159 I HA 0.440 4.612 4.170 0.004 0.000 0.290 159 I C -0.686 175.564 176.117 0.221 0.000 1.088 159 I CA -0.754 60.631 61.300 0.142 0.000 1.047 159 I CB 2.289 40.330 38.000 0.069 0.000 1.237 159 I HN 0.215 nan 8.210 nan 0.000 0.421 160 R N 4.390 124.968 120.500 0.130 0.000 2.510 160 R HA 0.574 4.916 4.340 0.004 0.000 0.294 160 R C 0.246 176.588 176.300 0.071 0.000 1.056 160 R CA 0.344 56.517 56.100 0.122 0.000 0.918 160 R CB 1.804 32.137 30.300 0.055 0.000 1.187 160 R HN 0.927 nan 8.270 nan 0.000 0.437 161 G N 3.583 112.430 108.800 0.079 0.000 2.574 161 G HA2 -0.336 3.626 3.960 0.004 0.000 0.286 161 G HA3 -0.336 3.626 3.960 0.004 0.000 0.286 161 G C 0.101 175.028 174.900 0.044 0.000 1.212 161 G CA 0.424 45.554 45.100 0.050 0.000 0.979 161 G HN 0.689 nan 8.290 nan 0.000 0.557 162 D N 0.266 120.687 120.400 0.034 0.000 2.339 162 D HA 0.165 4.807 4.640 0.004 0.000 0.217 162 D C 1.035 177.358 176.300 0.039 0.000 1.050 162 D CA 0.087 54.107 54.000 0.034 0.000 0.856 162 D CB 0.214 41.031 40.800 0.028 0.000 0.922 162 D HN 0.239 nan 8.370 nan 0.000 0.518 163 L N 1.676 122.921 121.223 0.037 0.000 2.313 163 L HA 0.262 4.604 4.340 0.004 0.000 0.282 163 L C -0.439 176.457 176.870 0.043 0.000 1.092 163 L CA -0.032 54.831 54.840 0.038 0.000 0.831 163 L CB 0.334 42.405 42.059 0.020 0.000 1.159 163 L HN -0.174 nan 8.230 nan 0.000 0.442 164 I N 5.489 126.093 120.570 0.056 0.000 2.354 164 I HA 0.591 4.763 4.170 0.004 0.000 0.292 164 I C 0.123 176.246 176.117 0.011 0.000 0.989 164 I CA -0.351 60.982 61.300 0.056 0.000 1.188 164 I CB 1.520 39.580 38.000 0.100 0.000 1.342 164 I HN 0.778 nan 8.210 nan 0.000 0.457 165 A N 4.494 127.271 122.820 -0.072 0.000 2.330 165 A HA 1.008 5.330 4.320 0.004 0.000 0.329 165 A C -0.117 177.216 177.584 -0.419 0.000 1.135 165 A CA -0.397 51.500 52.037 -0.233 0.000 0.817 165 A CB 1.656 20.542 19.000 -0.189 0.000 1.269 165 A HN 0.842 nan 8.150 nan 0.000 0.469 166 G N -0.997 107.321 108.800 -0.803 0.000 2.488 166 G HA2 0.552 4.514 3.960 0.004 0.000 0.301 166 G HA3 0.552 4.514 3.960 0.004 0.000 0.301 166 G C -1.983 172.461 174.900 -0.760 0.000 1.339 166 G CA -0.677 43.879 45.100 -0.906 0.000 0.803 166 G HN 0.855 nan 8.290 nan 0.000 0.482 167 L N 0.176 121.284 121.223 -0.192 0.000 2.410 167 L HA 0.736 5.078 4.340 0.004 0.000 0.270 167 L C 0.374 177.399 176.870 0.259 0.000 0.983 167 L CA -0.812 54.045 54.840 0.029 0.000 0.822 167 L CB 2.397 44.468 42.059 0.021 0.000 1.285 167 L HN 0.811 nan 8.230 nan 0.000 0.409 168 G N 1.044 109.745 108.800 -0.164 0.000 2.461 168 G HA2 0.588 4.551 3.960 0.004 0.000 0.323 168 G HA3 0.588 4.551 3.960 0.004 0.000 0.323 168 G C -0.979 173.567 174.900 -0.590 0.000 1.229 168 G CA -0.358 44.147 45.100 -0.991 0.000 0.941 168 G HN 0.362 nan 8.290 nan 0.000 0.477 169 F N 2.535 122.415 119.950 -0.116 0.000 2.659 169 F HA 0.290 4.819 4.527 0.003 0.000 0.360 169 F C 0.822 176.792 175.800 0.282 0.000 1.218 169 F CA -0.384 57.703 58.000 0.144 0.000 1.317 169 F CB -0.161 39.035 39.000 0.327 0.000 1.697 169 F HN 0.480 nan 8.300 nan 0.000 0.637 170 F N 0.669 120.752 119.950 0.221 0.000 2.660 170 F HA 0.378 4.907 4.527 0.004 0.000 0.302 170 F C 1.330 177.191 175.800 0.102 0.000 1.103 170 F CA -0.125 57.955 58.000 0.133 0.000 1.340 170 F CB -0.049 39.009 39.000 0.097 0.000 1.048 170 F HN 0.409 nan 8.300 nan 0.000 0.551 171 G N -0.586 108.388 108.800 0.289 0.000 2.479 171 G HA2 0.215 4.177 3.960 0.004 0.000 0.686 171 G HA3 0.215 4.177 3.960 0.004 0.000 0.686 171 G C 0.325 175.308 174.900 0.137 0.000 1.295 171 G CA -0.537 44.676 45.100 0.188 0.000 0.922 171 G HN 0.662 nan 8.290 nan 0.000 0.582 172 G N -1.152 107.709 108.800 0.102 0.000 2.203 172 G HA2 0.329 4.291 3.960 0.004 0.000 0.263 172 G HA3 0.329 4.291 3.960 0.004 0.000 0.263 172 G C 2.121 177.056 174.900 0.058 0.000 1.012 172 G CA 1.186 46.328 45.100 0.069 0.000 0.749 172 G HN 3.061 nan 8.290 nan 0.000 0.512 173 G N -2.485 106.366 108.800 0.085 0.000 2.257 173 G HA2 0.177 4.139 3.960 0.004 0.000 0.267 173 G HA3 0.177 4.139 3.960 0.004 0.000 0.267 173 G C 0.683 175.605 174.900 0.036 0.000 0.984 173 G CA 1.914 47.060 45.100 0.076 0.000 0.626 173 G HN 2.220 nan 8.290 nan 0.000 0.540 174 R N -0.313 120.192 120.500 0.008 0.000 2.668 174 R HA 0.854 5.196 4.340 0.004 0.000 0.279 174 R C -0.027 176.204 176.300 -0.116 0.000 0.976 174 R CA 0.092 56.159 56.100 -0.056 0.000 0.978 174 R CB 1.292 31.566 30.300 -0.044 0.000 1.133 174 R HN 0.913 nan 8.270 nan 0.000 0.484 175 V N 2.470 122.266 119.914 -0.198 0.000 2.385 175 V HA 0.343 4.465 4.120 0.004 0.000 0.269 175 V C 0.265 176.365 176.094 0.011 0.000 1.043 175 V CA -0.450 61.687 62.300 -0.272 0.000 0.906 175 V CB 1.127 32.721 31.823 -0.382 0.000 0.995 175 V HN 0.995 nan 8.190 nan 0.000 0.467 176 S N 4.580 120.301 115.700 0.036 0.000 2.693 176 S HA 0.645 5.117 4.470 0.004 0.000 0.276 176 S C -0.323 174.395 174.600 0.195 0.000 1.192 176 S CA -0.462 57.893 58.200 0.259 0.000 0.994 176 S CB 1.513 64.873 63.200 0.267 0.000 1.012 176 S HN 0.529 nan 8.310 nan 0.000 0.550 177 L N 2.182 123.492 121.223 0.146 0.000 2.343 177 L HA 0.732 5.074 4.340 0.004 0.000 0.275 177 L C -0.944 176.089 176.870 0.272 0.000 1.056 177 L CA -0.246 54.509 54.840 -0.141 0.000 0.804 177 L CB 0.556 42.204 42.059 -0.686 0.000 1.203 177 L HN 0.641 nan 8.230 nan 0.000 0.440 178 F N 0.483 120.527 119.950 0.157 0.000 2.613 178 F HA 0.870 5.399 4.527 0.004 0.000 0.310 178 F C -0.693 175.255 175.800 0.245 0.000 1.085 178 F CA -0.527 57.653 58.000 0.300 0.000 0.945 178 F CB 1.332 40.549 39.000 0.361 0.000 1.298 178 F HN 0.572 nan 8.300 nan 0.000 0.455 179 T N -0.707 114.160 114.554 0.523 0.000 2.924 179 T HA 0.791 5.143 4.350 0.004 0.000 0.291 179 T C -0.884 174.032 174.700 0.360 0.000 1.045 179 T CA -0.664 61.637 62.100 0.335 0.000 1.015 179 T CB 1.641 70.685 68.868 0.293 0.000 1.103 179 T HN 0.999 nan 8.240 nan 0.000 0.496 180 S N 0.346 116.195 115.700 0.248 0.000 2.705 180 S HA 0.605 5.077 4.470 0.004 0.000 0.280 180 S C -1.793 172.871 174.600 0.106 0.000 1.174 180 S CA -0.854 57.447 58.200 0.168 0.000 0.823 180 S CB 1.636 64.940 63.200 0.172 0.000 1.162 180 S HN 0.858 nan 8.310 nan 0.000 0.487 181 N N 1.822 120.564 118.700 0.070 0.000 2.399 181 N HA 0.294 5.036 4.740 0.004 0.000 0.280 181 N C 0.500 176.033 175.510 0.038 0.000 1.008 181 N CA -0.443 52.637 53.050 0.050 0.000 0.894 181 N CB 1.613 40.123 38.487 0.038 0.000 1.273 181 N HN 0.549 nan 8.380 nan 0.000 0.486 182 L N 4.050 125.296 121.223 0.039 0.000 2.042 182 L HA -0.176 4.166 4.340 0.004 0.000 0.210 182 L C 1.948 178.834 176.870 0.026 0.000 1.076 182 L CA 2.098 56.958 54.840 0.034 0.000 0.749 182 L CB -0.593 41.487 42.059 0.034 0.000 0.893 182 L HN 0.687 nan 8.230 nan 0.000 0.432 183 S N -1.466 114.248 115.700 0.023 0.000 2.317 183 S HA -0.098 4.374 4.470 0.004 0.000 0.212 183 S C 1.889 176.497 174.600 0.013 0.000 1.030 183 S CA 0.855 59.066 58.200 0.018 0.000 0.970 183 S CB -1.096 62.115 63.200 0.018 0.000 0.928 183 S HN 0.584 nan 8.310 nan 0.000 0.451 184 S N 1.274 116.981 115.700 0.012 0.000 2.496 184 S HA 0.459 4.932 4.470 0.004 0.000 0.224 184 S C 1.429 176.029 174.600 -0.000 0.000 0.996 184 S CA 0.285 58.488 58.200 0.006 0.000 0.927 184 S CB -1.045 62.159 63.200 0.007 0.000 0.774 184 S HN 1.325 nan 8.310 nan 0.000 0.524 185 G N 0.931 109.733 108.800 0.003 0.000 2.525 185 G HA2 0.317 4.279 3.960 0.004 0.000 0.248 185 G HA3 0.317 4.279 3.960 0.004 0.000 0.248 185 G C 0.361 175.257 174.900 -0.006 0.000 1.238 185 G CA -0.338 44.757 45.100 -0.008 0.000 0.926 185 G HN 2.057 nan 8.290 nan 0.000 0.574 186 G N -2.489 106.294 108.800 -0.028 0.000 2.712 186 G HA2 0.448 4.410 3.960 0.004 0.000 0.683 186 G HA3 0.448 4.410 3.960 0.004 0.000 0.683 186 G C -0.882 174.001 174.900 -0.028 0.000 1.320 186 G CA 0.268 45.347 45.100 -0.034 0.000 0.847 186 G HN 2.260 nan 8.290 nan 0.000 0.553 187 L N -0.416 120.780 121.223 -0.044 0.000 2.431 187 L HA 0.951 5.293 4.340 0.004 0.000 0.266 187 L C -0.345 176.503 176.870 -0.038 0.000 0.978 187 L CA -0.926 53.894 54.840 -0.034 0.000 0.822 187 L CB 2.153 44.130 42.059 -0.137 0.000 1.310 187 L HN 1.134 nan 8.230 nan 0.000 0.409 188 R N 3.508 124.015 120.500 0.013 0.000 2.476 188 R HA 0.776 5.118 4.340 0.004 0.000 0.305 188 R C -2.087 174.113 176.300 -0.165 0.000 0.965 188 R CA -0.498 55.513 56.100 -0.148 0.000 0.867 188 R CB 1.753 31.943 30.300 -0.184 0.000 1.176 188 R HN 0.399 nan 8.270 nan 0.000 0.447 189 V N 6.219 125.980 119.914 -0.255 0.000 2.370 189 V HA 0.496 4.618 4.120 0.004 0.000 0.283 189 V C -0.837 175.118 176.094 -0.231 0.000 1.023 189 V CA -0.454 61.825 62.300 -0.035 0.000 0.857 189 V CB 0.892 32.766 31.823 0.084 0.000 0.985 189 V HN 0.596 nan 8.190 nan 0.000 0.443 190 F N 2.673 122.726 119.950 0.171 0.000 2.411 190 F HA 0.443 4.972 4.527 0.004 0.000 0.352 190 F C 0.524 176.460 175.800 0.227 0.000 1.123 190 F CA -0.764 57.322 58.000 0.144 0.000 1.044 190 F CB 1.054 40.096 39.000 0.070 0.000 1.135 190 F HN 0.471 nan 8.300 nan 0.000 0.461 191 D N 1.080 121.687 120.400 0.346 0.000 2.393 191 D HA 0.437 5.080 4.640 0.004 0.000 0.246 191 D C -0.582 175.908 176.300 0.317 0.000 1.275 191 D CA 0.034 54.202 54.000 0.279 0.000 0.979 191 D CB 0.771 41.668 40.800 0.163 0.000 1.101 191 D HN 0.465 nan 8.370 nan 0.000 0.505 192 S N -0.247 115.528 115.700 0.126 0.000 2.496 192 S HA 0.489 4.962 4.470 0.004 0.000 0.221 192 S C -0.031 174.528 174.600 -0.069 0.000 1.260 192 S CA -0.925 57.229 58.200 -0.075 0.000 1.181 192 S CB 0.959 63.890 63.200 -0.449 0.000 1.136 192 S HN 0.563 nan 8.310 nan 0.000 0.467 193 G N 1.028 109.814 108.800 -0.024 0.000 2.346 193 G HA2 0.424 4.386 3.960 0.004 0.000 0.275 193 G HA3 0.424 4.386 3.960 0.004 0.000 0.275 193 G C 0.561 175.432 174.900 -0.048 0.000 1.190 193 G CA -0.161 44.927 45.100 -0.020 0.000 1.015 193 G HN 1.021 nan 8.290 nan 0.000 0.441 194 E N -0.223 119.946 120.200 -0.053 0.000 3.927 194 E HA -0.177 4.175 4.350 0.004 0.000 0.330 194 E C 1.028 177.571 176.600 -0.096 0.000 0.751 194 E CA 1.402 57.765 56.400 -0.062 0.000 1.254 194 E CB -1.646 28.025 29.700 -0.048 0.000 1.643 194 E HN 1.671 nan 8.360 nan 0.000 0.430 195 G N -1.366 107.350 108.800 -0.140 0.000 2.818 195 G HA2 0.707 4.669 3.960 0.004 0.000 0.286 195 G HA3 0.707 4.669 3.960 0.004 0.000 0.286 195 G C -0.844 173.903 174.900 -0.256 0.000 1.364 195 G CA 0.155 45.130 45.100 -0.208 0.000 0.938 195 G HN 0.558 nan 8.290 nan 0.000 0.490 196 S N -1.064 114.451 115.700 -0.308 0.000 2.603 196 S HA 0.582 5.055 4.470 0.004 0.000 0.274 196 S C -1.272 173.159 174.600 -0.281 0.000 1.168 196 S CA -0.676 57.361 58.200 -0.271 0.000 0.963 196 S CB 0.392 63.496 63.200 -0.160 0.000 1.078 196 S HN 0.372 nan 8.310 nan 0.000 0.477 197 F N 2.902 122.801 119.950 -0.085 0.000 2.429 197 F HA 0.271 4.800 4.527 0.003 0.000 0.348 197 F C 1.873 177.615 175.800 -0.097 0.000 1.109 197 F CA 0.256 58.207 58.000 -0.082 0.000 1.232 197 F CB 1.403 40.355 39.000 -0.080 0.000 1.157 197 F HN 0.726 nan 8.300 nan 0.000 0.564 198 S N -0.250 115.523 115.700 0.121 0.000 2.524 198 S HA 0.277 4.749 4.470 0.004 0.000 0.222 198 S C 0.111 174.731 174.600 0.033 0.000 1.040 198 S CA 0.409 58.636 58.200 0.045 0.000 0.915 198 S CB -0.017 63.207 63.200 0.039 0.000 0.831 198 S HN 0.633 nan 8.310 nan 0.000 0.492 199 S N -0.225 115.489 115.700 0.022 0.000 2.587 199 S HA 0.835 5.308 4.470 0.004 0.000 0.269 199 S C -1.119 173.414 174.600 -0.112 0.000 1.154 199 S CA -0.476 57.693 58.200 -0.051 0.000 0.824 199 S CB 1.132 64.281 63.200 -0.086 0.000 1.118 199 S HN 1.285 nan 8.310 nan 0.000 0.462 200 A N 0.403 123.119 122.820 -0.172 0.000 2.549 200 A HA 0.950 5.272 4.320 0.004 0.000 0.297 200 A C -0.551 176.911 177.584 -0.202 0.000 1.061 200 A CA -0.501 51.414 52.037 -0.202 0.000 0.690 200 A CB 1.624 20.484 19.000 -0.235 0.000 1.287 200 A HN 1.581 nan 8.150 nan 0.000 0.402 201 S N 0.169 115.769 115.700 -0.168 0.000 2.596 201 S HA 0.738 5.210 4.470 0.004 0.000 0.270 201 S C -1.625 173.013 174.600 0.062 0.000 1.155 201 S CA -0.484 57.671 58.200 -0.074 0.000 0.827 201 S CB 0.914 64.003 63.200 -0.185 0.000 1.130 201 S HN 0.697 nan 8.310 nan 0.000 0.467 202 I N 3.407 124.048 120.570 0.119 0.000 2.355 202 I HA 0.317 4.489 4.170 0.004 0.000 0.288 202 I C 0.558 176.583 176.117 -0.153 0.000 0.999 202 I CA -0.570 60.740 61.300 0.017 0.000 1.163 202 I CB 1.796 39.784 38.000 -0.019 0.000 1.316 202 I HN 0.697 nan 8.210 nan 0.000 0.454 203 S N 5.971 121.454 115.700 -0.361 0.000 2.573 203 S HA 0.171 4.644 4.470 0.004 0.000 0.277 203 S C -1.731 172.551 174.600 -0.530 0.000 1.346 203 S CA -0.804 56.852 58.200 -0.908 0.000 1.034 203 S CB 0.609 63.482 63.200 -0.545 0.000 0.879 203 S HN 0.393 nan 8.310 nan 0.000 0.528 204 P HA -0.092 nan 4.420 nan 0.000 0.218 204 P C 1.448 178.633 177.300 -0.191 0.000 1.154 204 P CA 1.935 64.867 63.100 -0.280 0.000 0.872 204 P CB -0.480 31.075 31.700 -0.242 0.000 0.790 205 G N -1.814 106.869 108.800 -0.194 0.000 2.956 205 G HA2 -0.047 3.915 3.960 0.004 0.000 0.207 205 G HA3 -0.047 3.915 3.960 0.004 0.000 0.207 205 G C 0.517 175.352 174.900 -0.108 0.000 1.162 205 G CA 0.031 45.055 45.100 -0.126 0.000 0.796 205 G HN 0.063 nan 8.290 nan 0.000 0.527 206 M N -0.789 118.734 119.600 -0.127 0.000 2.732 206 M HA -0.119 4.364 4.480 0.004 0.000 0.207 206 M C -0.181 176.065 176.300 -0.089 0.000 0.513 206 M CA 0.855 56.099 55.300 -0.093 0.000 0.652 206 M CB -2.040 30.524 32.600 -0.059 0.000 2.410 206 M HN 0.192 nan 8.290 nan 0.000 0.660 207 K N 0.239 120.574 120.400 -0.109 0.000 2.109 207 K HA 0.757 5.080 4.320 0.004 0.000 0.243 207 K C 0.283 176.818 176.600 -0.109 0.000 1.006 207 K CA -0.597 55.628 56.287 -0.104 0.000 0.917 207 K CB 1.572 34.019 32.500 -0.089 0.000 1.081 207 K HN 0.073 nan 8.250 nan 0.000 0.468 208 V N 1.706 121.536 119.914 -0.141 0.000 2.347 208 V HA 0.193 4.316 4.120 0.004 0.000 0.280 208 V C -0.061 175.956 176.094 -0.128 0.000 1.021 208 V CA -0.720 61.487 62.300 -0.156 0.000 0.847 208 V CB 1.219 32.880 31.823 -0.270 0.000 0.990 208 V HN 0.645 nan 8.190 nan 0.000 0.444 209 T N 4.814 119.336 114.554 -0.053 0.000 2.771 209 T HA 0.744 5.097 4.350 0.004 0.000 0.291 209 T C 0.134 174.759 174.700 -0.125 0.000 0.954 209 T CA -0.081 61.986 62.100 -0.056 0.000 1.045 209 T CB 1.373 70.252 68.868 0.018 0.000 0.917 209 T HN 0.996 nan 8.240 nan 0.000 0.484 210 A N 2.248 125.010 122.820 -0.097 0.000 2.587 210 A HA 0.859 5.181 4.320 0.004 0.000 0.293 210 A C -0.017 177.594 177.584 0.045 0.000 1.087 210 A CA -0.872 51.127 52.037 -0.063 0.000 0.692 210 A CB 1.460 20.383 19.000 -0.129 0.000 1.291 210 A HN 0.934 nan 8.150 nan 0.000 0.407 211 G N -0.155 108.690 108.800 0.075 0.000 2.325 211 G HA2 0.544 4.506 3.960 0.004 0.000 0.298 211 G HA3 0.544 4.506 3.960 0.004 0.000 0.298 211 G C -1.051 173.940 174.900 0.152 0.000 1.134 211 G CA -0.202 44.955 45.100 0.095 0.000 0.876 211 G HN 0.896 nan 8.290 nan 0.000 0.452 212 L N 2.309 123.568 121.223 0.061 0.000 2.301 212 L HA 0.426 4.769 4.340 0.004 0.000 0.278 212 L C 0.253 177.058 176.870 -0.108 0.000 1.022 212 L CA -0.636 54.132 54.840 -0.121 0.000 0.854 212 L CB 0.761 42.708 42.059 -0.187 0.000 1.226 212 L HN 0.571 nan 8.230 nan 0.000 0.429 213 E N 2.486 122.619 120.200 -0.112 0.000 2.354 213 E HA 0.497 4.849 4.350 0.004 0.000 0.269 213 E C -0.143 176.390 176.600 -0.110 0.000 1.036 213 E CA -0.072 56.280 56.400 -0.081 0.000 0.876 213 E CB 0.961 30.627 29.700 -0.055 0.000 1.009 213 E HN 0.701 nan 8.360 nan 0.000 0.416 214 T N -2.103 112.403 114.554 -0.080 0.000 2.716 214 T HA 0.503 4.855 4.350 0.004 0.000 0.286 214 T C 0.887 175.554 174.700 -0.056 0.000 1.052 214 T CA -0.321 61.732 62.100 -0.078 0.000 1.024 214 T CB 1.164 69.990 68.868 -0.071 0.000 1.349 214 T HN 0.332 nan 8.240 nan 0.000 0.525 215 A N 0.018 122.809 122.820 -0.048 0.000 2.076 215 A HA 0.123 4.445 4.320 0.004 0.000 0.220 215 A C 2.113 179.689 177.584 -0.014 0.000 1.160 215 A CA 1.385 53.404 52.037 -0.030 0.000 0.653 215 A CB -0.557 18.427 19.000 -0.027 0.000 0.801 215 A HN 0.663 nan 8.150 nan 0.000 0.455 216 R N -2.226 118.259 120.500 -0.025 0.000 2.444 216 R HA 0.542 4.884 4.340 0.004 0.000 0.111 216 R C 0.773 177.050 176.300 -0.039 0.000 1.456 216 R CA 0.348 56.435 56.100 -0.023 0.000 1.242 216 R CB -0.849 29.436 30.300 -0.025 0.000 1.059 216 R HN 0.588 nan 8.270 nan 0.000 0.422 217 E N 0.669 120.838 120.200 -0.050 0.000 2.373 217 E HA 0.682 5.034 4.350 0.004 0.000 0.263 217 E C 0.028 176.594 176.600 -0.057 0.000 1.073 217 E CA 0.028 56.388 56.400 -0.066 0.000 0.894 217 E CB 0.529 30.180 29.700 -0.082 0.000 1.008 217 E HN 0.834 nan 8.360 nan 0.000 0.420 218 A N 1.540 124.329 122.820 -0.052 0.000 2.293 218 A HA 0.732 5.054 4.320 0.004 0.000 0.302 218 A C 0.099 177.678 177.584 -0.008 0.000 1.119 218 A CA -0.492 51.531 52.037 -0.023 0.000 0.823 218 A CB 0.658 19.667 19.000 0.015 0.000 1.097 218 A HN 0.628 nan 8.150 nan 0.000 0.491 219 R N 0.310 120.823 120.500 0.020 0.000 2.534 219 R HA 0.470 4.812 4.340 0.004 0.000 0.301 219 R C -1.584 174.779 176.300 0.105 0.000 0.961 219 R CA -0.811 55.318 56.100 0.048 0.000 0.871 219 R CB 1.841 32.147 30.300 0.010 0.000 1.170 219 R HN 0.526 nan 8.270 nan 0.000 0.446 220 L N 4.723 126.046 121.223 0.167 0.000 2.260 220 L HA 0.360 4.702 4.340 0.004 0.000 0.289 220 L C -0.564 176.343 176.870 0.061 0.000 1.057 220 L CA -0.314 54.590 54.840 0.107 0.000 0.811 220 L CB 1.355 43.464 42.059 0.084 0.000 1.184 220 L HN 0.491 nan 8.230 nan 0.000 0.429 221 V N 1.374 121.317 119.914 0.049 0.000 2.960 221 V HA 0.873 4.995 4.120 0.004 0.000 0.315 221 V C -0.090 176.010 176.094 0.009 0.000 1.087 221 V CA -0.339 61.988 62.300 0.045 0.000 0.982 221 V CB 1.728 33.607 31.823 0.093 0.000 1.039 221 V HN 0.795 nan 8.190 nan 0.000 0.437 222 T N 0.042 114.593 114.554 -0.006 0.000 2.794 222 T HA 0.753 5.105 4.350 0.004 0.000 0.280 222 T C -0.500 174.160 174.700 -0.066 0.000 0.987 222 T CA -0.640 61.435 62.100 -0.041 0.000 0.993 222 T CB 1.271 70.119 68.868 -0.034 0.000 0.939 222 T HN 0.978 nan 8.240 nan 0.000 0.449 223 V N 2.908 122.736 119.914 -0.143 0.000 2.313 223 V HA 0.314 4.436 4.120 0.004 0.000 0.278 223 V C 0.125 176.075 176.094 -0.241 0.000 1.017 223 V CA -0.997 61.165 62.300 -0.229 0.000 0.823 223 V CB 0.980 32.539 31.823 -0.440 0.000 1.010 223 V HN 0.970 nan 8.190 nan 0.000 0.443 224 D N 8.075 128.387 120.400 -0.147 0.000 2.382 224 D HA 0.122 4.764 4.640 0.004 0.000 0.259 224 D C -1.147 175.079 176.300 -0.124 0.000 1.224 224 D CA -1.624 52.315 54.000 -0.102 0.000 0.894 224 D CB 2.006 42.785 40.800 -0.036 0.000 1.127 224 D HN 0.287 nan 8.370 nan 0.000 0.487 225 P HA -0.024 nan 4.420 nan 0.000 0.231 225 P C 1.026 178.425 177.300 0.164 0.000 1.168 225 P CA 0.409 63.505 63.100 -0.005 0.000 0.779 225 P CB 0.496 32.193 31.700 -0.006 0.000 0.844 226 R N 0.720 121.270 120.500 0.083 0.000 2.148 226 R HA -0.081 4.261 4.340 0.004 0.000 0.227 226 R C 0.991 177.355 176.300 0.107 0.000 1.103 226 R CA 1.779 57.929 56.100 0.084 0.000 0.983 226 R CB -0.248 30.077 30.300 0.042 0.000 0.874 226 R HN 0.323 nan 8.270 nan 0.000 0.451 227 D N -3.622 116.856 120.400 0.130 0.000 2.523 227 D HA 0.102 4.745 4.640 0.004 0.000 0.269 227 D C 0.807 177.220 176.300 0.189 0.000 1.374 227 D CA 0.414 54.493 54.000 0.132 0.000 0.820 227 D CB 0.086 40.931 40.800 0.074 0.000 1.211 227 D HN 0.066 nan 8.370 nan 0.000 0.502 228 G N 0.991 109.970 108.800 0.298 0.000 2.168 228 G HA2 -0.298 3.664 3.960 0.004 0.000 0.263 228 G HA3 -0.298 3.664 3.960 0.004 0.000 0.263 228 G C 0.423 175.421 174.900 0.163 0.000 0.977 228 G CA 0.573 45.894 45.100 0.368 0.000 0.659 228 G HN 1.096 nan 8.290 nan 0.000 0.533 229 S N -0.664 115.087 115.700 0.085 0.000 2.516 229 S HA 0.556 5.028 4.470 0.004 0.000 0.282 229 S C 0.113 174.728 174.600 0.024 0.000 1.286 229 S CA 0.012 58.243 58.200 0.052 0.000 1.066 229 S CB 2.151 65.370 63.200 0.032 0.000 0.884 229 S HN 1.092 nan 8.310 nan 0.000 0.491 230 V N 4.509 124.448 119.914 0.042 0.000 2.540 230 V HA 0.710 4.832 4.120 0.004 0.000 0.302 230 V C -0.131 175.983 176.094 0.033 0.000 1.035 230 V CA -0.618 61.707 62.300 0.041 0.000 0.873 230 V CB 1.281 33.158 31.823 0.089 0.000 0.992 230 V HN 1.091 nan 8.190 nan 0.000 0.428 231 E N 1.758 121.972 120.200 0.023 0.000 2.407 231 E HA 0.392 4.745 4.350 0.004 0.000 0.279 231 E C -1.783 174.829 176.600 0.020 0.000 1.012 231 E CA -1.017 55.395 56.400 0.019 0.000 0.800 231 E CB 1.779 31.487 29.700 0.012 0.000 1.276 231 E HN 0.412 nan 8.360 nan 0.000 0.452 232 D N 1.365 121.777 120.400 0.020 0.000 2.493 232 D HA 0.070 4.712 4.640 0.004 0.000 0.240 232 D C -0.547 175.766 176.300 0.021 0.000 1.142 232 D CA 0.052 54.067 54.000 0.025 0.000 0.872 232 D CB 0.710 41.524 40.800 0.023 0.000 1.173 232 D HN 0.279 nan 8.370 nan 0.000 0.467 233 L N 4.349 125.586 121.223 0.024 0.000 2.283 233 L HA 0.111 4.453 4.340 0.004 0.000 0.287 233 L C 0.209 177.091 176.870 0.021 0.000 1.073 233 L CA -0.234 54.613 54.840 0.012 0.000 0.822 233 L CB 0.347 42.402 42.059 -0.008 0.000 1.186 233 L HN 0.161 nan 8.230 nan 0.000 0.436 234 E N 5.248 125.459 120.200 0.018 0.000 2.392 234 E HA 0.229 4.582 4.350 0.004 0.000 0.264 234 E C -0.722 175.888 176.600 0.016 0.000 1.024 234 E CA 0.083 56.497 56.400 0.023 0.000 0.903 234 E CB 1.114 30.824 29.700 0.016 0.000 0.963 234 E HN 0.572 nan 8.360 nan 0.000 0.432 235 L N 3.666 124.904 121.223 0.025 0.000 2.333 235 L HA 0.281 4.623 4.340 0.004 0.000 0.269 235 L C -1.499 175.386 176.870 0.026 0.000 1.010 235 L CA -2.061 52.788 54.840 0.014 0.000 0.818 235 L CB 1.389 43.446 42.059 -0.004 0.000 1.306 235 L HN 0.240 nan 8.230 nan 0.000 0.430 236 P HA -0.147 nan 4.420 nan 0.000 0.214 236 P C 0.335 177.658 177.300 0.038 0.000 1.169 236 P CA 1.043 64.159 63.100 0.026 0.000 0.908 236 P CB 0.196 31.910 31.700 0.024 0.000 0.791 237 S N -0.621 115.110 115.700 0.052 0.000 2.554 237 S HA 0.186 4.659 4.470 0.004 0.000 0.278 237 S C 0.744 175.397 174.600 0.089 0.000 1.242 237 S CA -0.599 57.644 58.200 0.072 0.000 1.051 237 S CB 0.130 63.385 63.200 0.092 0.000 0.986 237 S HN -0.118 nan 8.310 nan 0.000 0.502 238 K N 3.077 123.529 120.400 0.085 0.000 2.446 238 K HA 0.134 4.456 4.320 0.004 0.000 0.203 238 K C 0.155 176.815 176.600 0.101 0.000 1.027 238 K CA -0.045 56.290 56.287 0.080 0.000 1.166 238 K CB 0.028 32.559 32.500 0.052 0.000 0.869 238 K HN 0.566 nan 8.250 nan 0.000 0.504 239 D N 0.594 121.093 120.400 0.164 0.000 2.144 239 D HA -0.151 4.491 4.640 0.004 0.000 0.199 239 D C 1.472 177.894 176.300 0.204 0.000 0.984 239 D CA 0.809 54.962 54.000 0.255 0.000 0.834 239 D CB -0.096 40.940 40.800 0.395 0.000 0.955 239 D HN 0.159 nan 8.370 nan 0.000 0.465 240 F N 1.907 121.736 119.950 -0.202 0.000 2.134 240 F HA -0.194 4.335 4.527 0.003 0.000 0.299 240 F C 2.337 177.959 175.800 -0.297 0.000 1.097 240 F CA 1.296 58.855 58.000 -0.734 0.000 1.264 240 F CB -0.274 38.284 39.000 -0.737 0.000 1.001 240 F HN -0.138 nan 8.300 nan 0.000 0.479 241 S N -0.330 115.244 115.700 -0.211 0.000 2.359 241 S HA -0.213 4.259 4.470 0.004 0.000 0.224 241 S C 2.138 176.627 174.600 -0.184 0.000 1.035 241 S CA 1.511 59.576 58.200 -0.225 0.000 1.018 241 S CB -0.946 62.216 63.200 -0.063 0.000 0.876 241 S HN 0.401 nan 8.310 nan 0.000 0.448 242 S N 0.568 116.229 115.700 -0.064 0.000 2.419 242 S HA -0.097 4.375 4.470 0.004 0.000 0.235 242 S C 1.525 176.141 174.600 0.026 0.000 1.019 242 S CA 0.997 59.195 58.200 -0.003 0.000 0.982 242 S CB -0.448 62.790 63.200 0.063 0.000 0.789 242 S HN 0.601 nan 8.310 nan 0.000 0.490 243 Y N 2.296 122.522 120.300 -0.124 0.000 2.352 243 Y HA -0.011 4.541 4.550 0.003 0.000 0.292 243 Y C 0.741 176.571 175.900 -0.116 0.000 1.136 243 Y CA 0.822 58.890 58.100 -0.052 0.000 1.227 243 Y CB -0.133 38.339 38.460 0.019 0.000 0.991 243 Y HN 0.074 nan 8.280 nan 0.000 0.545 244 R N -0.294 120.088 120.500 -0.197 0.000 3.205 244 R HA -0.159 4.184 4.340 0.004 0.000 0.249 244 R C -2.659 173.489 176.300 -0.254 0.000 0.937 244 R CA 0.457 56.419 56.100 -0.231 0.000 0.641 244 R CB -2.362 27.829 30.300 -0.182 0.000 1.114 244 R HN 0.323 nan 8.270 nan 0.000 0.451 245 P HA -0.008 nan 4.420 nan 0.000 0.269 245 P C 0.953 178.209 177.300 -0.072 0.000 1.209 245 P CA 0.283 63.350 63.100 -0.055 0.000 0.776 245 P CB 0.697 32.467 31.700 0.118 0.000 0.876 246 T N -1.444 113.078 114.554 -0.054 0.000 3.044 246 T HA 0.467 4.819 4.350 0.004 0.000 0.250 246 T C 0.643 175.332 174.700 -0.018 0.000 1.081 246 T CA 0.037 62.103 62.100 -0.056 0.000 1.040 246 T CB 0.128 68.936 68.868 -0.101 0.000 0.962 246 T HN 0.612 nan 8.240 nan 0.000 0.506 247 A N 0.578 123.418 122.820 0.033 0.000 2.587 247 A HA 0.779 5.101 4.320 0.004 0.000 0.293 247 A C -1.547 176.110 177.584 0.121 0.000 1.087 247 A CA -0.975 51.094 52.037 0.055 0.000 0.692 247 A CB 1.227 20.249 19.000 0.036 0.000 1.291 247 A HN 0.366 nan 8.150 nan 0.000 0.407 248 I N 1.831 122.469 120.570 0.113 0.000 2.437 248 I HA 0.217 4.389 4.170 0.004 0.000 0.279 248 I C 1.001 177.197 176.117 0.133 0.000 1.028 248 I CA -0.297 61.091 61.300 0.146 0.000 1.142 248 I CB 1.934 40.009 38.000 0.126 0.000 1.266 248 I HN 0.796 nan 8.210 nan 0.000 0.461 249 T N 4.114 118.773 114.554 0.176 0.000 2.708 249 T HA -0.139 4.213 4.350 0.004 0.000 0.266 249 T C -0.185 174.682 174.700 0.278 0.000 1.037 249 T CA 1.536 63.752 62.100 0.194 0.000 1.146 249 T CB 0.015 69.010 68.868 0.210 0.000 0.865 249 T HN 0.642 nan 8.240 nan 0.000 0.435 250 W N 0.524 121.848 121.300 0.039 0.000 3.499 250 W HA 0.440 5.103 4.660 0.004 0.000 0.288 250 W C -2.655 173.856 176.519 -0.013 0.000 1.258 250 W CA -1.443 55.911 57.345 0.015 0.000 1.203 250 W CB 0.749 30.224 29.460 0.025 0.000 1.325 250 W HN 0.103 nan 8.180 nan 0.000 0.564 251 L N 3.199 123.767 121.223 -1.092 0.000 2.506 251 L HA 1.121 5.463 4.340 0.004 0.000 0.257 251 L C -0.534 175.310 176.870 -1.710 0.000 0.964 251 L CA -0.607 53.517 54.840 -1.194 0.000 0.836 251 L CB 1.715 43.402 42.059 -0.620 0.000 1.384 251 L HN 0.868 nan 8.230 nan 0.000 0.410 252 G N 0.080 108.042 108.800 -1.397 0.000 2.667 252 G HA2 0.485 4.447 3.960 0.004 0.000 0.294 252 G HA3 0.485 4.447 3.960 0.004 0.000 0.294 252 G C -2.170 172.407 174.900 -0.537 0.000 1.467 252 G CA -0.692 43.914 45.100 -0.823 0.000 0.852 252 G HN 0.554 nan 8.290 nan 0.000 0.521 253 Y N 0.900 121.111 120.300 -0.149 0.000 2.359 253 Y HA 0.411 4.963 4.550 0.004 0.000 0.334 253 Y C 1.370 177.228 175.900 -0.070 0.000 1.058 253 Y CA -0.282 57.758 58.100 -0.101 0.000 1.244 253 Y CB 0.893 39.287 38.460 -0.111 0.000 1.187 253 Y HN 0.286 nan 8.280 nan 0.000 0.510 254 L N 5.820 127.071 121.223 0.046 0.000 2.472 254 L HA 0.144 4.486 4.340 0.004 0.000 0.260 254 L C -1.328 175.408 176.870 -0.223 0.000 1.209 254 L CA -1.779 52.995 54.840 -0.109 0.000 0.817 254 L CB 0.298 42.334 42.059 -0.038 0.000 1.106 254 L HN 0.481 nan 8.230 nan 0.000 0.479 255 P HA -0.082 nan 4.420 nan 0.000 0.234 255 P C 0.049 177.250 177.300 -0.165 0.000 1.167 255 P CA 0.596 63.489 63.100 -0.345 0.000 0.763 255 P CB -0.054 31.383 31.700 -0.439 0.000 0.835 256 D N -2.299 118.032 120.400 -0.115 0.000 2.342 256 D HA 0.192 4.834 4.640 0.004 0.000 0.221 256 D C 1.445 177.723 176.300 -0.037 0.000 1.101 256 D CA 0.101 54.064 54.000 -0.061 0.000 0.837 256 D CB -0.700 40.076 40.800 -0.041 0.000 0.938 256 D HN 0.149 nan 8.370 nan 0.000 0.508 257 G N 0.354 109.137 108.800 -0.029 0.000 2.195 257 G HA2 -0.321 3.641 3.960 0.004 0.000 0.246 257 G HA3 -0.321 3.641 3.960 0.004 0.000 0.246 257 G C 0.367 175.333 174.900 0.110 0.000 0.984 257 G CA -0.157 44.941 45.100 -0.003 0.000 0.633 257 G HN 0.441 nan 8.290 nan 0.000 0.525 258 R N -0.396 120.158 120.500 0.090 0.000 2.582 258 R HA 0.538 4.880 4.340 0.004 0.000 0.271 258 R C -0.114 176.246 176.300 0.100 0.000 1.078 258 R CA -0.589 55.567 56.100 0.094 0.000 1.127 258 R CB 0.890 31.211 30.300 0.035 0.000 1.038 258 R HN 0.207 nan 8.270 nan 0.000 0.500 259 L N 2.047 123.260 121.223 -0.016 0.000 2.257 259 L HA 0.338 4.680 4.340 0.004 0.000 0.290 259 L C -0.577 176.161 176.870 -0.221 0.000 1.044 259 L CA 0.061 54.703 54.840 -0.329 0.000 0.810 259 L CB 1.080 42.880 42.059 -0.433 0.000 1.193 259 L HN 0.731 nan 8.230 nan 0.000 0.425 260 A N 5.480 128.178 122.820 -0.202 0.000 2.320 260 A HA 0.672 4.994 4.320 0.004 0.000 0.287 260 A C -0.795 176.718 177.584 -0.117 0.000 1.181 260 A CA -0.430 51.588 52.037 -0.031 0.000 0.831 260 A CB 0.493 19.613 19.000 0.201 0.000 1.102 260 A HN 0.531 nan 8.150 nan 0.000 0.513 261 V N 3.652 123.549 119.914 -0.028 0.000 2.531 261 V HA 0.367 4.489 4.120 0.004 0.000 0.301 261 V C -0.360 175.866 176.094 0.221 0.000 1.034 261 V CA -0.574 61.711 62.300 -0.024 0.000 0.865 261 V CB 1.759 33.422 31.823 -0.267 0.000 0.995 261 V HN 0.614 nan 8.190 nan 0.000 0.424 262 V N 4.279 124.376 119.914 0.304 0.000 2.347 262 V HA 0.818 4.940 4.120 0.004 0.000 0.280 262 V C 0.439 176.723 176.094 0.317 0.000 1.021 262 V CA -0.179 62.309 62.300 0.314 0.000 0.847 262 V CB 1.178 33.194 31.823 0.321 0.000 0.990 262 V HN 1.023 nan 8.190 nan 0.000 0.444 263 A N 6.262 129.309 122.820 0.379 0.000 2.386 263 A HA 0.959 5.281 4.320 0.004 0.000 0.308 263 A C -0.324 177.500 177.584 0.401 0.000 1.128 263 A CA -0.907 51.367 52.037 0.395 0.000 0.789 263 A CB 1.650 20.966 19.000 0.526 0.000 1.325 263 A HN 0.756 nan 8.150 nan 0.000 0.437 264 R N -0.202 120.518 120.500 0.368 0.000 2.854 264 R HA 0.795 5.137 4.340 0.004 0.000 0.271 264 R C -0.726 175.730 176.300 0.259 0.000 0.994 264 R CA -0.844 55.448 56.100 0.321 0.000 0.945 264 R CB 2.529 32.922 30.300 0.155 0.000 1.194 264 R HN 0.822 nan 8.270 nan 0.000 0.476 265 R N 0.864 121.459 120.500 0.159 0.000 2.579 265 R HA 0.076 4.419 4.340 0.004 0.000 0.260 265 R C -1.170 175.113 176.300 -0.028 0.000 1.103 265 R CA -0.341 55.722 56.100 -0.061 0.000 0.942 265 R CB 1.303 31.397 30.300 -0.343 0.000 1.251 265 R HN 0.818 nan 8.270 nan 0.000 0.450 266 E N 2.399 122.519 120.200 -0.132 0.000 2.269 266 E HA -0.265 4.087 4.350 0.004 0.000 0.223 266 E C 0.462 177.158 176.600 0.161 0.000 1.244 266 E CA 0.966 57.369 56.400 0.006 0.000 0.713 266 E CB -1.259 28.576 29.700 0.224 0.000 1.178 266 E HN 1.120 nan 8.360 nan 0.000 0.370 267 G N -0.115 108.718 108.800 0.055 0.000 2.168 267 G HA2 -0.371 3.591 3.960 0.004 0.000 0.263 267 G HA3 -0.371 3.591 3.960 0.004 0.000 0.263 267 G C 0.208 175.159 174.900 0.086 0.000 0.977 267 G CA 0.789 45.975 45.100 0.143 0.000 0.659 267 G HN 0.332 nan 8.290 nan 0.000 0.533 268 R N -0.296 120.289 120.500 0.143 0.000 2.771 268 R HA 0.666 5.008 4.340 0.004 0.000 0.274 268 R C 0.000 176.434 176.300 0.222 0.000 0.987 268 R CA -0.005 56.186 56.100 0.151 0.000 0.908 268 R CB 1.945 32.376 30.300 0.218 0.000 1.213 268 R HN 0.453 nan 8.270 nan 0.000 0.468 269 S N 0.222 116.053 115.700 0.219 0.000 2.704 269 S HA 0.909 5.381 4.470 0.004 0.000 0.305 269 S C -0.744 174.067 174.600 0.352 0.000 1.107 269 S CA -0.728 57.666 58.200 0.323 0.000 0.993 269 S CB 2.240 65.623 63.200 0.306 0.000 1.110 269 S HN 0.717 nan 8.310 nan 0.000 0.534 270 A N 0.399 123.316 122.820 0.161 0.000 2.572 270 A HA 0.714 5.036 4.320 0.004 0.000 0.295 270 A C -1.320 176.058 177.584 -0.343 0.000 1.072 270 A CA -0.761 51.140 52.037 -0.227 0.000 0.691 270 A CB 1.576 20.181 19.000 -0.659 0.000 1.291 270 A HN 0.977 nan 8.150 nan 0.000 0.404 271 V N 1.972 121.545 119.914 -0.569 0.000 2.347 271 V HA 0.511 4.633 4.120 0.004 0.000 0.280 271 V C -1.126 174.631 176.094 -0.562 0.000 1.021 271 V CA -0.082 61.980 62.300 -0.397 0.000 0.847 271 V CB 0.272 31.902 31.823 -0.322 0.000 0.990 271 V HN 0.627 nan 8.190 nan 0.000 0.444 272 F N 5.156 125.071 119.950 -0.059 0.000 2.450 272 F HA 0.655 5.184 4.527 0.004 0.000 0.332 272 F C 0.045 175.803 175.800 -0.070 0.000 1.093 272 F CA -1.024 56.942 58.000 -0.057 0.000 1.003 272 F CB 1.596 40.573 39.000 -0.039 0.000 1.151 272 F HN 0.161 nan 8.300 nan 0.000 0.474 273 I N 2.860 123.491 120.570 0.103 0.000 2.466 273 I HA 0.196 4.368 4.170 0.004 0.000 0.279 273 I C -0.428 175.711 176.117 0.036 0.000 1.033 273 I CA -0.643 60.682 61.300 0.041 0.000 1.123 273 I CB 0.883 38.898 38.000 0.024 0.000 1.237 273 I HN 0.612 nan 8.210 nan 0.000 0.460 274 D N 5.322 125.721 120.400 -0.002 0.000 2.772 274 D HA -0.187 4.455 4.640 0.004 0.000 0.233 274 D C 1.335 177.645 176.300 0.017 0.000 1.143 274 D CA 1.696 55.693 54.000 -0.006 0.000 0.700 274 D CB -0.714 40.095 40.800 0.014 0.000 1.076 274 D HN 1.114 nan 8.370 nan 0.000 0.430 275 G N -0.013 108.804 108.800 0.027 0.000 2.217 275 G HA2 -0.352 3.610 3.960 0.004 0.000 0.246 275 G HA3 -0.352 3.610 3.960 0.004 0.000 0.246 275 G C 0.132 175.191 174.900 0.265 0.000 0.990 275 G CA 0.446 45.602 45.100 0.093 0.000 0.627 275 G HN 0.580 nan 8.290 nan 0.000 0.522 276 E N 0.938 121.262 120.200 0.207 0.000 2.130 276 E HA 0.477 4.830 4.350 0.004 0.000 0.284 276 E C 0.697 177.391 176.600 0.157 0.000 1.018 276 E CA -0.839 55.673 56.400 0.186 0.000 0.817 276 E CB 0.399 30.152 29.700 0.088 0.000 1.078 276 E HN 0.398 nan 8.360 nan 0.000 0.396 277 R N 3.181 123.757 120.500 0.127 0.000 2.537 277 R HA 0.153 4.495 4.340 0.004 0.000 0.280 277 R C -0.975 175.197 176.300 -0.213 0.000 1.058 277 R CA -0.237 55.681 56.100 -0.303 0.000 1.057 277 R CB 0.664 30.750 30.300 -0.357 0.000 0.973 277 R HN 0.313 nan 8.270 nan 0.000 0.438 278 V N 3.627 123.363 119.914 -0.296 0.000 2.513 278 V HA 0.155 4.278 4.120 0.004 0.000 0.299 278 V C -0.253 175.714 176.094 -0.212 0.000 1.035 278 V CA -0.835 61.350 62.300 -0.191 0.000 0.889 278 V CB 1.612 33.339 31.823 -0.160 0.000 0.988 278 V HN 0.786 nan 8.190 nan 0.000 0.440 279 E N 2.730 122.849 120.200 -0.135 0.000 2.417 279 E HA 0.448 4.800 4.350 0.004 0.000 0.261 279 E C -0.180 176.340 176.600 -0.134 0.000 1.000 279 E CA 0.434 56.767 56.400 -0.111 0.000 0.919 279 E CB 0.663 30.325 29.700 -0.065 0.000 0.955 279 E HN 0.943 nan 8.360 nan 0.000 0.455 280 A N 5.163 127.903 122.820 -0.134 0.000 2.486 280 A HA 0.598 4.920 4.320 0.004 0.000 0.300 280 A C -2.615 174.948 177.584 -0.035 0.000 1.048 280 A CA -1.672 50.272 52.037 -0.155 0.000 0.696 280 A CB 1.046 19.800 19.000 -0.410 0.000 1.278 280 A HN 0.573 nan 8.150 nan 0.000 0.405 281 P HA 0.090 nan 4.420 nan 0.000 0.265 281 P C -0.363 176.987 177.300 0.082 0.000 1.193 281 P CA 0.081 63.093 63.100 -0.146 0.000 0.765 281 P CB 0.320 31.667 31.700 -0.587 0.000 0.823 282 Q N 1.019 120.904 119.800 0.143 0.000 2.286 282 Q HA 0.319 4.661 4.340 0.004 0.000 0.290 282 Q C 0.860 177.048 176.000 0.312 0.000 1.049 282 Q CA 1.451 57.387 55.803 0.222 0.000 0.923 282 Q CB -0.032 28.810 28.738 0.173 0.000 1.183 282 Q HN 0.830 nan 8.270 nan 0.000 0.383 283 G N 3.317 112.204 108.800 0.146 0.000 2.350 283 G HA2 -0.084 3.878 3.960 0.004 0.000 0.085 283 G HA3 -0.084 3.878 3.960 0.004 0.000 0.085 283 G C -1.271 173.483 174.900 -0.244 0.000 1.159 283 G CA -0.728 44.341 45.100 -0.051 0.000 1.146 283 G HN 0.599 nan 8.290 nan 0.000 0.449 284 N N 0.337 118.761 118.700 -0.460 0.000 2.225 284 N HA 0.607 5.349 4.740 0.004 0.000 0.298 284 N C -1.727 173.447 175.510 -0.560 0.000 1.076 284 N CA -0.379 52.410 53.050 -0.434 0.000 0.792 284 N CB 1.950 40.313 38.487 -0.206 0.000 1.498 284 N HN 0.566 nan 8.380 nan 0.000 0.474 285 H N -0.752 118.342 119.070 0.041 0.000 2.622 285 H HA 0.513 5.071 4.556 0.003 0.000 0.363 285 H C 0.700 176.020 175.328 -0.013 0.000 1.151 285 H CA -0.698 55.366 56.048 0.027 0.000 1.184 285 H CB 1.863 31.651 29.762 0.043 0.000 1.643 285 H HN 0.615 nan 8.280 nan 0.000 0.531 286 G N 0.742 109.563 108.800 0.036 0.000 2.829 286 G HA2 0.196 4.159 3.960 0.004 0.000 0.173 286 G HA3 0.196 4.159 3.960 0.004 0.000 0.173 286 G C -0.225 174.514 174.900 -0.268 0.000 1.476 286 G CA -0.905 44.136 45.100 -0.099 0.000 1.072 286 G HN 0.730 nan 8.290 nan 0.000 0.577 287 R N -1.515 118.632 120.500 -0.588 0.000 2.637 287 R HA 0.527 4.869 4.340 0.004 0.000 0.269 287 R C -1.277 174.572 176.300 -0.752 0.000 1.089 287 R CA -0.426 54.900 56.100 -1.291 0.000 1.177 287 R CB 0.993 30.347 30.300 -1.577 0.000 1.091 287 R HN 0.172 nan 8.270 nan 0.000 0.540 288 V N 2.164 121.589 119.914 -0.816 0.000 2.588 288 V HA 0.465 4.587 4.120 0.004 0.000 0.304 288 V C -0.299 175.801 176.094 0.009 0.000 1.042 288 V CA -0.722 61.466 62.300 -0.186 0.000 0.877 288 V CB 1.559 33.423 31.823 0.069 0.000 0.996 288 V HN 0.747 nan 8.190 nan 0.000 0.425 289 V N 2.910 122.869 119.914 0.076 0.000 2.962 289 V HA 0.763 4.885 4.120 0.004 0.000 0.313 289 V C -1.100 175.163 176.094 0.282 0.000 1.099 289 V CA -1.094 61.357 62.300 0.251 0.000 0.971 289 V CB 2.090 33.976 31.823 0.104 0.000 1.028 289 V HN 0.619 nan 8.190 nan 0.000 0.430 290 L N 3.730 125.191 121.223 0.395 0.000 2.276 290 L HA 0.740 5.082 4.340 0.004 0.000 0.286 290 L C -1.064 176.062 176.870 0.425 0.000 1.061 290 L CA 0.060 55.084 54.840 0.308 0.000 0.807 290 L CB 1.058 43.227 42.059 0.182 0.000 1.177 290 L HN 0.968 nan 8.230 nan 0.000 0.429 291 W N 6.611 127.983 121.300 0.119 0.000 3.132 291 W HA 0.434 5.096 4.660 0.003 0.000 0.337 291 W C -0.069 176.486 176.519 0.060 0.000 1.082 291 W CA -0.705 56.697 57.345 0.096 0.000 1.242 291 W CB 0.796 30.301 29.460 0.075 0.000 1.354 291 W HN 0.553 nan 8.180 nan 0.000 0.461 292 R N 4.147 124.345 120.500 -0.503 0.000 3.641 292 R HA -0.201 4.141 4.340 0.004 0.000 0.286 292 R C 1.001 177.149 176.300 -0.254 0.000 1.153 292 R CA 1.746 57.521 56.100 -0.542 0.000 0.775 292 R CB -1.913 27.803 30.300 -0.974 0.000 1.215 292 R HN 1.748 nan 8.270 nan 0.000 0.474 293 G N -0.915 107.818 108.800 -0.111 0.000 2.268 293 G HA2 -0.361 3.601 3.960 0.004 0.000 0.240 293 G HA3 -0.361 3.601 3.960 0.004 0.000 0.240 293 G C 0.202 175.099 174.900 -0.005 0.000 1.010 293 G CA 0.767 45.837 45.100 -0.049 0.000 0.618 293 G HN 0.378 nan 8.290 nan 0.000 0.516 294 K N 0.025 120.434 120.400 0.015 0.000 2.156 294 K HA 0.725 5.047 4.320 0.004 0.000 0.250 294 K C 0.355 177.033 176.600 0.130 0.000 0.955 294 K CA -0.860 55.464 56.287 0.062 0.000 0.855 294 K CB 1.441 33.978 32.500 0.062 0.000 1.101 294 K HN 0.140 nan 8.250 nan 0.000 0.434 295 L N 2.278 123.558 121.223 0.095 0.000 2.397 295 L HA 0.297 4.639 4.340 0.004 0.000 0.271 295 L C -0.479 176.450 176.870 0.099 0.000 1.148 295 L CA -0.525 54.371 54.840 0.094 0.000 0.825 295 L CB 0.890 42.973 42.059 0.039 0.000 1.117 295 L HN 0.254 nan 8.230 nan 0.000 0.456 296 V N 1.835 121.803 119.914 0.090 0.000 2.789 296 V HA 0.669 4.791 4.120 0.004 0.000 0.311 296 V C -0.204 175.873 176.094 -0.028 0.000 1.073 296 V CA -0.438 61.885 62.300 0.039 0.000 0.921 296 V CB 2.276 34.124 31.823 0.043 0.000 1.009 296 V HN 0.853 nan 8.190 nan 0.000 0.426 297 T N 1.422 115.944 114.554 -0.052 0.000 2.792 297 T HA 0.574 4.926 4.350 0.004 0.000 0.303 297 T C -0.702 173.975 174.700 -0.038 0.000 1.310 297 T CA 0.047 62.109 62.100 -0.064 0.000 1.007 297 T CB 1.965 70.808 68.868 -0.042 0.000 1.335 297 T HN 1.058 nan 8.240 nan 0.000 0.504 298 S N 1.654 117.338 115.700 -0.027 0.000 2.578 298 S HA 0.625 5.098 4.470 0.004 0.000 0.283 298 S C -0.726 173.942 174.600 0.113 0.000 1.195 298 S CA -0.550 57.654 58.200 0.006 0.000 1.050 298 S CB 1.030 64.206 63.200 -0.040 0.000 1.012 298 S HN 0.860 nan 8.310 nan 0.000 0.511 299 H N 0.205 119.263 119.070 -0.020 0.000 2.894 299 H HA 0.590 5.149 4.556 0.004 0.000 0.367 299 H C -1.638 173.642 175.328 -0.079 0.000 1.144 299 H CA -0.311 55.718 56.048 -0.032 0.000 1.180 299 H CB 2.255 32.034 29.762 0.028 0.000 1.758 299 H HN 0.809 nan 8.280 nan 0.000 0.541 300 T N 2.266 116.295 114.554 -0.874 0.000 2.982 300 T HA 0.446 4.798 4.350 0.004 0.000 0.321 300 T C -1.554 172.775 174.700 -0.618 0.000 1.229 300 T CA -0.327 61.426 62.100 -0.578 0.000 1.044 300 T CB 1.026 69.742 68.868 -0.253 0.000 1.184 300 T HN 0.784 nan 8.240 nan 0.000 0.477 301 S N 3.480 119.006 115.700 -0.290 0.000 2.607 301 S HA 0.526 4.998 4.470 0.004 0.000 0.273 301 S C 1.151 175.807 174.600 0.093 0.000 1.148 301 S CA -0.966 57.170 58.200 -0.107 0.000 0.833 301 S CB 0.988 64.178 63.200 -0.017 0.000 1.130 301 S HN 0.661 nan 8.310 nan 0.000 0.470 302 L N 1.457 122.698 121.223 0.029 0.000 2.151 302 L HA -0.147 4.196 4.340 0.004 0.000 0.215 302 L C 2.397 179.376 176.870 0.182 0.000 1.084 302 L CA 1.898 56.764 54.840 0.044 0.000 0.764 302 L CB -0.484 41.571 42.059 -0.007 0.000 0.891 302 L HN 0.952 nan 8.230 nan 0.000 0.435 303 S N -2.694 113.155 115.700 0.249 0.000 2.578 303 S HA 0.119 4.591 4.470 0.004 0.000 0.231 303 S C 0.455 175.266 174.600 0.352 0.000 0.994 303 S CA -0.018 58.373 58.200 0.319 0.000 0.956 303 S CB 0.020 63.341 63.200 0.202 0.000 0.870 303 S HN 0.353 nan 8.310 nan 0.000 0.494 304 T N -0.211 114.527 114.554 0.307 0.000 3.109 304 T HA 0.582 4.934 4.350 0.004 0.000 0.311 304 T C -3.561 170.949 174.700 -0.317 0.000 1.011 304 T CA -1.806 60.282 62.100 -0.019 0.000 1.026 304 T CB 1.705 70.596 68.868 0.038 0.000 1.047 304 T HN -0.148 nan 8.240 nan 0.000 0.448 305 P HA 0.295 nan 4.420 nan 0.000 0.269 305 P C -2.549 174.436 177.300 -0.525 0.000 1.215 305 P CA -1.113 61.231 63.100 -1.259 0.000 0.780 305 P CB -0.615 30.286 31.700 -1.333 0.000 0.898 306 P HA -0.051 nan 4.420 nan 0.000 0.261 306 P C -0.252 176.999 177.300 -0.081 0.000 1.158 306 P CA 1.033 64.016 63.100 -0.195 0.000 0.758 306 P CB 0.101 31.698 31.700 -0.172 0.000 0.763 307 R N 2.100 122.590 120.500 -0.016 0.000 2.716 307 R HA 0.615 4.957 4.340 0.004 0.000 0.271 307 R C -1.336 174.950 176.300 -0.023 0.000 1.028 307 R CA -1.009 55.107 56.100 0.026 0.000 0.883 307 R CB 0.943 31.237 30.300 -0.010 0.000 1.250 307 R HN 0.059 nan 8.270 nan 0.000 0.465 308 I N 2.701 123.184 120.570 -0.144 0.000 2.331 308 I HA 0.390 4.562 4.170 0.004 0.000 0.292 308 I C 0.386 176.401 176.117 -0.170 0.000 0.998 308 I CA -0.731 60.455 61.300 -0.190 0.000 1.267 308 I CB 1.230 39.013 38.000 -0.361 0.000 1.386 308 I HN 0.614 nan 8.210 nan 0.000 0.476 309 V N 2.752 122.609 119.914 -0.094 0.000 3.001 309 V HA 0.674 4.796 4.120 0.004 0.000 0.314 309 V C -0.175 175.892 176.094 -0.045 0.000 1.099 309 V CA -0.702 61.556 62.300 -0.070 0.000 0.989 309 V CB 1.946 33.738 31.823 -0.051 0.000 1.040 309 V HN 0.716 nan 8.190 nan 0.000 0.434 310 S N 2.421 118.112 115.700 -0.015 0.000 2.508 310 S HA 0.738 5.211 4.470 0.004 0.000 0.284 310 S C -0.461 174.134 174.600 -0.009 0.000 1.192 310 S CA -0.652 57.563 58.200 0.025 0.000 1.070 310 S CB 0.234 63.479 63.200 0.076 0.000 1.004 310 S HN 0.694 nan 8.310 nan 0.000 0.493 311 L N 6.162 127.377 121.223 -0.013 0.000 2.360 311 L HA 0.479 4.821 4.340 0.004 0.000 0.271 311 L C -1.303 175.554 176.870 -0.021 0.000 1.057 311 L CA -1.915 52.900 54.840 -0.042 0.000 0.803 311 L CB 1.113 43.127 42.059 -0.075 0.000 1.207 311 L HN 0.540 nan 8.230 nan 0.000 0.445 312 P HA -0.022 nan 4.420 nan 0.000 0.251 312 P C 1.248 178.520 177.300 -0.046 0.000 1.223 312 P CA 0.400 63.469 63.100 -0.051 0.000 0.796 312 P CB 0.399 32.073 31.700 -0.043 0.000 1.068 313 S N 0.032 115.713 115.700 -0.031 0.000 2.382 313 S HA 0.014 4.486 4.470 0.004 0.000 0.228 313 S C 1.939 176.514 174.600 -0.041 0.000 1.027 313 S CA 1.486 59.670 58.200 -0.027 0.000 0.991 313 S CB -1.711 61.481 63.200 -0.013 0.000 0.823 313 S HN 0.307 nan 8.310 nan 0.000 0.469 314 G N 0.388 109.154 108.800 -0.056 0.000 2.176 314 G HA2 -0.218 3.744 3.960 0.004 0.000 0.253 314 G HA3 -0.218 3.744 3.960 0.004 0.000 0.253 314 G C -0.134 174.725 174.900 -0.068 0.000 0.979 314 G CA 0.188 45.237 45.100 -0.086 0.000 0.641 314 G HN 0.536 nan 8.290 nan 0.000 0.530 315 E N 1.947 122.125 120.200 -0.038 0.000 2.465 315 E HA 0.214 4.567 4.350 0.004 0.000 0.260 315 E C -1.884 174.690 176.600 -0.044 0.000 0.980 315 E CA -1.181 55.202 56.400 -0.028 0.000 0.927 315 E CB 0.858 30.555 29.700 -0.005 0.000 0.934 315 E HN 0.320 nan 8.360 nan 0.000 0.459 316 P HA 0.052 nan 4.420 nan 0.000 0.276 316 P C 0.433 177.660 177.300 -0.122 0.000 1.235 316 P CA 0.144 63.187 63.100 -0.095 0.000 0.772 316 P CB 0.817 32.465 31.700 -0.087 0.000 0.871 317 L N 2.349 123.445 121.223 -0.213 0.000 2.286 317 L HA 0.241 4.583 4.340 0.004 0.000 0.203 317 L C 1.067 177.585 176.870 -0.586 0.000 1.068 317 L CA 0.684 55.335 54.840 -0.315 0.000 0.811 317 L CB -0.011 41.829 42.059 -0.366 0.000 0.989 317 L HN 0.300 nan 8.230 nan 0.000 0.467 318 L N 0.403 121.234 121.223 -0.653 0.000 2.406 318 L HA 0.443 4.786 4.340 0.004 0.000 0.272 318 L C -1.010 175.515 176.870 -0.574 0.000 0.980 318 L CA -0.202 54.147 54.840 -0.820 0.000 0.831 318 L CB 2.468 43.739 42.059 -1.313 0.000 1.253 318 L HN 0.015 nan 8.230 nan 0.000 0.406 319 E N 2.268 122.272 120.200 -0.326 0.000 2.343 319 E HA 0.377 4.729 4.350 0.004 0.000 0.288 319 E C -0.550 176.083 176.600 0.056 0.000 0.907 319 E CA -0.615 55.749 56.400 -0.060 0.000 0.792 319 E CB 1.917 31.566 29.700 -0.085 0.000 1.275 319 E HN 0.674 nan 8.360 nan 0.000 0.402 320 G N 2.079 110.960 108.800 0.134 0.000 2.441 320 G HA2 0.393 4.355 3.960 0.004 0.000 0.243 320 G HA3 0.393 4.355 3.960 0.004 0.000 0.243 320 G C 0.321 175.208 174.900 -0.022 0.000 1.281 320 G CA 0.106 45.231 45.100 0.043 0.000 0.854 320 G HN 0.429 nan 8.290 nan 0.000 0.560 321 G N 0.314 109.105 108.800 -0.016 0.000 2.380 321 G HA2 0.488 4.451 3.960 0.004 0.000 0.262 321 G HA3 0.488 4.451 3.960 0.004 0.000 0.262 321 G C -0.295 174.594 174.900 -0.019 0.000 1.243 321 G CA -0.426 44.664 45.100 -0.017 0.000 0.865 321 G HN 0.566 nan 8.290 nan 0.000 0.513 322 L N 3.042 124.258 121.223 -0.012 0.000 2.354 322 L HA 0.406 4.748 4.340 0.004 0.000 0.269 322 L C -2.010 174.869 176.870 0.014 0.000 1.005 322 L CA -2.001 52.842 54.840 0.005 0.000 0.819 322 L CB 2.657 44.725 42.059 0.015 0.000 1.311 322 L HN 0.347 nan 8.230 nan 0.000 0.423 323 P HA 0.139 nan 4.420 nan 0.000 0.269 323 P C 0.642 177.959 177.300 0.028 0.000 1.215 323 P CA 0.017 63.131 63.100 0.023 0.000 0.780 323 P CB 0.625 32.340 31.700 0.025 0.000 0.898 324 E N 1.245 121.460 120.200 0.025 0.000 2.058 324 E HA -0.249 4.103 4.350 0.004 0.000 0.194 324 E C 1.436 178.057 176.600 0.036 0.000 0.997 324 E CA 2.011 58.428 56.400 0.028 0.000 0.801 324 E CB -1.364 28.350 29.700 0.024 0.000 0.746 324 E HN 0.548 nan 8.360 nan 0.000 0.450 325 D N -0.105 120.316 120.400 0.035 0.000 2.219 325 D HA -0.041 4.601 4.640 0.004 0.000 0.205 325 D C 1.968 178.298 176.300 0.049 0.000 0.970 325 D CA 0.561 54.584 54.000 0.038 0.000 0.851 325 D CB -0.080 40.739 40.800 0.032 0.000 0.943 325 D HN 0.393 nan 8.370 nan 0.000 0.488 326 L N 0.430 121.685 121.223 0.053 0.000 2.072 326 L HA -0.078 4.264 4.340 0.004 0.000 0.205 326 L C 2.350 179.272 176.870 0.088 0.000 1.079 326 L CA 0.977 55.859 54.840 0.069 0.000 0.752 326 L CB 0.026 42.126 42.059 0.069 0.000 0.906 326 L HN -0.070 nan 8.230 nan 0.000 0.436 327 R N -0.544 120.003 120.500 0.079 0.000 2.096 327 R HA -0.178 4.164 4.340 0.004 0.000 0.235 327 R C 2.420 178.775 176.300 0.091 0.000 1.127 327 R CA 1.777 57.931 56.100 0.090 0.000 0.968 327 R CB -0.325 30.014 30.300 0.064 0.000 0.861 327 R HN 0.391 nan 8.270 nan 0.000 0.440 328 R N 0.387 120.931 120.500 0.074 0.000 2.236 328 R HA 0.017 4.359 4.340 0.004 0.000 0.208 328 R C 1.967 178.314 176.300 0.078 0.000 1.036 328 R CA 1.424 57.567 56.100 0.071 0.000 1.001 328 R CB -1.159 29.174 30.300 0.056 0.000 0.896 328 R HN 0.432 nan 8.270 nan 0.000 0.464 329 S N 0.412 116.160 115.700 0.079 0.000 2.453 329 S HA 0.144 4.616 4.470 0.004 0.000 0.231 329 S C 1.174 175.836 174.600 0.103 0.000 1.005 329 S CA 0.701 58.950 58.200 0.081 0.000 0.949 329 S CB -0.428 62.815 63.200 0.072 0.000 0.774 329 S HN 0.593 nan 8.310 nan 0.000 0.510 330 I N 2.303 122.944 120.570 0.118 0.000 2.373 330 I HA 0.353 4.525 4.170 0.004 0.000 0.287 330 I C 0.571 176.771 176.117 0.138 0.000 1.124 330 I CA -0.379 61.003 61.300 0.137 0.000 1.273 330 I CB 0.310 38.412 38.000 0.171 0.000 1.578 330 I HN 0.262 nan 8.210 nan 0.000 0.572 331 A N 4.202 127.102 122.820 0.133 0.000 3.118 331 A HA 0.611 4.933 4.320 0.004 0.000 0.256 331 A C 1.037 178.696 177.584 0.125 0.000 1.667 331 A CA 0.222 52.332 52.037 0.122 0.000 1.338 331 A CB -0.966 18.103 19.000 0.116 0.000 1.127 331 A HN 0.782 nan 8.150 nan 0.000 0.634 332 G N 0.236 109.113 108.800 0.129 0.000 2.716 332 G HA2 0.177 4.140 3.960 0.004 0.000 0.686 332 G HA3 0.177 4.140 3.960 0.004 0.000 0.686 332 G C -0.156 174.828 174.900 0.139 0.000 1.337 332 G CA -0.279 44.898 45.100 0.128 0.000 0.829 332 G HN 1.899 nan 8.290 nan 0.000 0.599 333 S N 0.474 116.262 115.700 0.148 0.000 2.648 333 S HA 0.973 5.445 4.470 0.004 0.000 0.305 333 S C -0.002 174.708 174.600 0.184 0.000 1.094 333 S CA -0.085 58.220 58.200 0.175 0.000 0.983 333 S CB 2.420 65.728 63.200 0.180 0.000 1.101 333 S HN 1.609 nan 8.310 nan 0.000 0.514 334 R N -0.287 120.332 120.500 0.198 0.000 2.734 334 R HA 0.687 5.029 4.340 0.004 0.000 0.271 334 R C -2.051 174.247 176.300 -0.003 0.000 1.021 334 R CA -1.104 55.079 56.100 0.139 0.000 0.893 334 R CB 0.719 31.075 30.300 0.093 0.000 1.244 334 R HN 0.507 nan 8.270 nan 0.000 0.464 335 L N 2.031 123.140 121.223 -0.190 0.000 2.264 335 L HA 0.519 4.862 4.340 0.004 0.000 0.289 335 L C -0.680 175.945 176.870 -0.409 0.000 1.044 335 L CA -0.439 54.041 54.840 -0.600 0.000 0.807 335 L CB 1.716 43.389 42.059 -0.643 0.000 1.192 335 L HN 0.599 nan 8.230 nan 0.000 0.425 336 V N 1.637 121.218 119.914 -0.555 0.000 2.769 336 V HA 0.633 4.755 4.120 0.004 0.000 0.312 336 V C -1.252 174.466 176.094 -0.627 0.000 1.061 336 V CA -0.838 61.165 62.300 -0.495 0.000 0.931 336 V CB 1.587 32.990 31.823 -0.700 0.000 1.010 336 V HN 0.805 nan 8.190 nan 0.000 0.433 337 W N 2.575 123.652 121.300 -0.371 0.000 2.278 337 W HA 0.704 5.366 4.660 0.003 0.000 0.317 337 W C -0.423 175.909 176.519 -0.310 0.000 1.030 337 W CA -0.543 56.612 57.345 -0.316 0.000 1.334 337 W CB 1.819 31.142 29.460 -0.228 0.000 1.215 337 W HN 0.524 nan 8.180 nan 0.000 0.405 338 V N 4.475 124.296 119.914 -0.155 0.000 2.407 338 V HA 0.172 4.294 4.120 0.004 0.000 0.278 338 V C 0.415 176.527 176.094 0.030 0.000 1.037 338 V CA -1.070 61.140 62.300 -0.151 0.000 0.900 338 V CB 1.130 32.825 31.823 -0.214 0.000 0.983 338 V HN 0.313 nan 8.190 nan 0.000 0.459 339 E N 2.666 122.914 120.200 0.080 0.000 2.299 339 E HA 0.202 4.554 4.350 0.004 0.000 0.272 339 E C 0.036 176.720 176.600 0.140 0.000 1.043 339 E CA 0.173 56.635 56.400 0.103 0.000 0.895 339 E CB 1.482 31.239 29.700 0.096 0.000 1.011 339 E HN 0.634 nan 8.360 nan 0.000 0.432 340 S N 1.775 117.573 115.700 0.162 0.000 2.718 340 S HA 0.316 4.788 4.470 0.004 0.000 0.292 340 S C 0.951 175.687 174.600 0.227 0.000 1.125 340 S CA -0.691 57.655 58.200 0.243 0.000 1.013 340 S CB 0.338 63.742 63.200 0.341 0.000 1.192 340 S HN 0.539 nan 8.310 nan 0.000 0.535 341 F N 0.014 120.020 119.950 0.093 0.000 2.325 341 F HA 0.234 4.763 4.527 0.003 0.000 0.299 341 F C 1.503 177.342 175.800 0.065 0.000 1.090 341 F CA 1.282 59.323 58.000 0.068 0.000 1.392 341 F CB -0.786 38.248 39.000 0.057 0.000 1.053 341 F HN 0.494 nan 8.300 nan 0.000 0.521 342 D N -0.202 119.691 120.400 -0.845 0.000 2.368 342 D HA 0.424 5.067 4.640 0.004 0.000 0.218 342 D C 1.712 177.838 176.300 -0.290 0.000 1.112 342 D CA 0.382 53.899 54.000 -0.804 0.000 0.834 342 D CB -0.323 39.840 40.800 -1.063 0.000 0.953 342 D HN 0.727 nan 8.370 nan 0.000 0.505 343 G N -0.417 108.298 108.800 -0.141 0.000 2.176 343 G HA2 -0.155 3.807 3.960 0.004 0.000 0.232 343 G HA3 -0.155 3.807 3.960 0.004 0.000 0.232 343 G C 0.738 175.632 174.900 -0.010 0.000 0.986 343 G CA 0.350 45.416 45.100 -0.056 0.000 0.643 343 G HN 0.751 nan 8.290 nan 0.000 0.522 344 S N -0.012 115.708 115.700 0.035 0.000 2.603 344 S HA 0.671 5.144 4.470 0.004 0.000 0.268 344 S C 0.550 175.204 174.600 0.090 0.000 1.317 344 S CA -0.199 58.063 58.200 0.104 0.000 1.012 344 S CB 0.977 64.358 63.200 0.301 0.000 0.926 344 S HN 0.471 nan 8.310 nan 0.000 0.539 345 R N 1.028 121.550 120.500 0.036 0.000 2.437 345 R HA 0.480 4.822 4.340 0.004 0.000 0.310 345 R C -1.436 174.885 176.300 0.035 0.000 0.955 345 R CA -0.542 55.611 56.100 0.089 0.000 0.851 345 R CB 1.467 31.840 30.300 0.122 0.000 1.161 345 R HN 0.328 nan 8.270 nan 0.000 0.446 346 V N 5.490 125.413 119.914 0.013 0.000 2.385 346 V HA 0.246 4.368 4.120 0.004 0.000 0.269 346 V C -1.959 173.875 176.094 -0.434 0.000 1.043 346 V CA -2.050 60.181 62.300 -0.115 0.000 0.906 346 V CB 1.140 33.020 31.823 0.096 0.000 0.995 346 V HN 0.645 nan 8.190 nan 0.000 0.467 347 P HA 0.244 nan 4.420 nan 0.000 0.271 347 P C -0.384 176.459 177.300 -0.762 0.000 1.233 347 P CA 0.109 62.378 63.100 -1.385 0.000 0.764 347 P CB 0.559 31.143 31.700 -1.861 0.000 0.825 348 T N 3.809 117.929 114.554 -0.724 0.000 2.937 348 T HA 0.329 4.681 4.350 0.004 0.000 0.297 348 T C -0.801 173.631 174.700 -0.447 0.000 0.991 348 T CA -0.189 61.663 62.100 -0.412 0.000 0.990 348 T CB 0.366 69.013 68.868 -0.368 0.000 0.991 348 T HN 0.114 nan 8.240 nan 0.000 0.440 349 Y N 1.665 121.884 120.300 -0.135 0.000 2.308 349 Y HA 0.546 5.098 4.550 0.003 0.000 0.329 349 Y C 0.228 176.123 175.900 -0.008 0.000 1.111 349 Y CA -0.545 57.512 58.100 -0.072 0.000 1.179 349 Y CB 1.157 39.603 38.460 -0.024 0.000 1.201 349 Y HN 0.300 nan 8.280 nan 0.000 0.483 350 V N 5.332 125.348 119.914 0.170 0.000 2.444 350 V HA 0.254 4.376 4.120 0.004 0.000 0.294 350 V C -1.008 175.205 176.094 0.200 0.000 1.022 350 V CA -0.817 61.596 62.300 0.187 0.000 0.850 350 V CB 1.665 33.607 31.823 0.198 0.000 0.992 350 V HN 0.455 nan 8.190 nan 0.000 0.426 351 L N 5.142 126.482 121.223 0.196 0.000 2.297 351 L HA 0.512 4.854 4.340 0.004 0.000 0.277 351 L C 0.371 177.367 176.870 0.211 0.000 1.040 351 L CA 0.170 55.115 54.840 0.176 0.000 0.867 351 L CB 0.660 42.800 42.059 0.134 0.000 1.244 351 L HN 0.656 nan 8.230 nan 0.000 0.433 352 E N 1.926 122.243 120.200 0.196 0.000 2.414 352 E HA 0.070 4.422 4.350 0.004 0.000 0.263 352 E C -0.287 176.502 176.600 0.316 0.000 1.000 352 E CA 0.061 56.610 56.400 0.250 0.000 0.914 352 E CB 0.768 30.539 29.700 0.117 0.000 0.948 352 E HN 0.582 nan 8.360 nan 0.000 0.444 353 S N 1.504 117.497 115.700 0.490 0.000 2.499 353 S HA 0.292 4.764 4.470 0.004 0.000 0.279 353 S C 1.022 175.733 174.600 0.184 0.000 1.219 353 S CA -0.395 57.938 58.200 0.221 0.000 1.062 353 S CB 1.151 64.377 63.200 0.043 0.000 0.978 353 S HN 0.627 nan 8.310 nan 0.000 0.489 354 G N 3.620 112.494 108.800 0.123 0.000 2.744 354 G HA2 0.018 3.980 3.960 0.004 0.000 0.211 354 G HA3 0.018 3.980 3.960 0.004 0.000 0.211 354 G C 0.960 175.893 174.900 0.055 0.000 1.143 354 G CA -0.126 45.031 45.100 0.096 0.000 0.788 354 G HN 0.735 nan 8.290 nan 0.000 0.534 355 R N 0.098 120.612 120.500 0.023 0.000 2.515 355 R HA 0.501 4.843 4.340 0.004 0.000 0.294 355 R C 0.030 176.281 176.300 -0.082 0.000 1.021 355 R CA -0.031 56.057 56.100 -0.020 0.000 1.081 355 R CB 0.712 30.999 30.300 -0.021 0.000 1.263 355 R HN 0.215 nan 8.270 nan 0.000 0.557 356 A N 1.717 124.486 122.820 -0.085 0.000 2.393 356 A HA 0.594 4.916 4.320 0.004 0.000 0.306 356 A C -2.497 175.085 177.584 -0.003 0.000 1.050 356 A CA -1.670 50.260 52.037 -0.178 0.000 0.724 356 A CB 1.273 19.917 19.000 -0.593 0.000 1.248 356 A HN -0.075 nan 8.150 nan 0.000 0.424 357 P HA 0.448 nan 4.420 nan 0.000 0.277 357 P C -0.507 176.900 177.300 0.178 0.000 1.276 357 P CA 0.004 63.148 63.100 0.073 0.000 0.788 357 P CB 0.589 32.305 31.700 0.027 0.000 1.114 358 T N 1.058 115.683 114.554 0.118 0.000 2.906 358 T HA 0.382 4.734 4.350 0.004 0.000 0.302 358 T C -2.245 172.475 174.700 0.034 0.000 1.002 358 T CA -0.906 61.251 62.100 0.094 0.000 0.988 358 T CB 0.714 69.605 68.868 0.037 0.000 0.972 358 T HN 0.384 nan 8.240 nan 0.000 0.447 359 P HA 0.585 nan 4.420 nan 0.000 0.271 359 P C 0.011 177.368 177.300 0.094 0.000 1.233 359 P CA -0.170 62.957 63.100 0.045 0.000 0.789 359 P CB 0.737 32.439 31.700 0.003 0.000 0.951 360 G N -0.276 108.616 108.800 0.152 0.000 2.600 360 G HA2 0.510 4.473 3.960 0.004 0.000 0.293 360 G HA3 0.510 4.473 3.960 0.004 0.000 0.293 360 G C -3.374 171.584 174.900 0.097 0.000 1.408 360 G CA -1.137 44.013 45.100 0.083 0.000 0.782 360 G HN 0.234 nan 8.290 nan 0.000 0.482 361 P HA 0.351 nan 4.420 nan 0.000 0.266 361 P C -0.487 176.983 177.300 0.283 0.000 1.195 361 P CA 0.340 63.539 63.100 0.164 0.000 0.768 361 P CB 0.988 32.727 31.700 0.065 0.000 0.838 362 T N 1.871 116.690 114.554 0.441 0.000 2.991 362 T HA 0.339 4.691 4.350 0.004 0.000 0.303 362 T C -0.638 174.347 174.700 0.474 0.000 1.015 362 T CA -0.442 61.921 62.100 0.439 0.000 1.007 362 T CB 0.973 70.044 68.868 0.338 0.000 1.034 362 T HN -0.037 nan 8.240 nan 0.000 0.446 363 V N 3.427 123.581 119.914 0.401 0.000 2.394 363 V HA 0.392 4.514 4.120 0.004 0.000 0.282 363 V C 0.155 176.383 176.094 0.224 0.000 1.031 363 V CA -0.787 61.675 62.300 0.270 0.000 0.881 363 V CB 1.683 33.547 31.823 0.068 0.000 0.982 363 V HN 0.729 nan 8.190 nan 0.000 0.451 364 V N 6.423 126.455 119.914 0.196 0.000 2.389 364 V HA 0.253 4.375 4.120 0.004 0.000 0.264 364 V C -0.083 176.046 176.094 0.059 0.000 1.049 364 V CA -0.238 62.162 62.300 0.165 0.000 0.932 364 V CB 1.108 33.065 31.823 0.224 0.000 1.011 364 V HN 0.639 nan 8.190 nan 0.000 0.475 365 L N 7.742 129.018 121.223 0.090 0.000 2.264 365 L HA 0.499 4.842 4.340 0.004 0.000 0.287 365 L C -0.195 176.726 176.870 0.085 0.000 1.039 365 L CA 0.289 55.165 54.840 0.060 0.000 0.829 365 L CB 1.298 43.406 42.059 0.082 0.000 1.211 365 L HN 0.434 nan 8.230 nan 0.000 0.427 366 V N 4.958 124.897 119.914 0.041 0.000 2.383 366 V HA 0.270 4.392 4.120 0.004 0.000 0.275 366 V C -0.007 176.175 176.094 0.146 0.000 1.036 366 V CA -0.758 61.589 62.300 0.077 0.000 0.889 366 V CB 0.628 32.422 31.823 -0.048 0.000 0.985 366 V HN 0.914 nan 8.190 nan 0.000 0.459 367 H N 2.863 122.108 119.070 0.291 0.000 2.679 367 H HA 0.613 5.171 4.556 0.004 0.000 0.369 367 H C 0.582 176.095 175.328 0.308 0.000 1.178 367 H CA 0.179 56.359 56.048 0.219 0.000 1.419 367 H CB 0.604 30.453 29.762 0.145 0.000 1.458 367 H HN 0.671 nan 8.280 nan 0.000 0.605 368 G N -0.138 108.930 108.800 0.447 0.000 2.489 368 G HA2 0.484 4.446 3.960 0.004 0.000 0.271 368 G HA3 0.484 4.446 3.960 0.004 0.000 0.271 368 G C 0.494 175.671 174.900 0.461 0.000 1.427 368 G CA -0.297 45.039 45.100 0.394 0.000 1.057 368 G HN 1.321 nan 8.290 nan 0.000 0.532 369 G N -0.886 108.084 108.800 0.283 0.000 1.920 369 G HA2 -0.118 3.844 3.960 0.004 0.000 0.210 369 G HA3 -0.118 3.844 3.960 0.004 0.000 0.210 369 G C -1.208 173.701 174.900 0.016 0.000 1.302 369 G CA 0.584 45.778 45.100 0.156 0.000 1.333 369 G HN 0.727 nan 8.290 nan 0.000 0.452 370 P HA 0.154 nan 4.420 nan 0.000 0.229 370 P C 0.605 177.871 177.300 -0.057 0.000 1.160 370 P CA 0.614 63.521 63.100 -0.321 0.000 0.777 370 P CB -0.219 30.958 31.700 -0.872 0.000 0.814 371 F N 0.941 120.938 119.950 0.080 0.000 2.659 371 F HA 0.443 4.972 4.527 0.003 0.000 0.360 371 F C 1.233 177.045 175.800 0.019 0.000 1.218 371 F CA -0.907 57.116 58.000 0.038 0.000 1.317 371 F CB -0.170 38.851 39.000 0.035 0.000 1.697 371 F HN 0.003 nan 8.300 nan 0.000 0.637 372 A N 1.373 124.242 122.820 0.081 0.000 2.504 372 A HA 0.792 5.114 4.320 0.004 0.000 0.285 372 A C -1.214 176.120 177.584 -0.416 0.000 1.261 372 A CA -0.705 51.252 52.037 -0.134 0.000 0.741 372 A CB 2.107 21.019 19.000 -0.146 0.000 1.327 372 A HN 0.415 nan 8.150 nan 0.000 0.441 373 E N -0.005 119.943 120.200 -0.421 0.000 2.331 373 E HA 0.389 4.742 4.350 0.004 0.000 0.275 373 E C -1.883 174.580 176.600 -0.228 0.000 0.895 373 E CA -0.586 55.645 56.400 -0.282 0.000 0.753 373 E CB 1.729 31.399 29.700 -0.050 0.000 1.216 373 E HN 0.510 nan 8.360 nan 0.000 0.434 374 D N 2.614 122.974 120.400 -0.066 0.000 2.443 374 D HA 0.194 4.836 4.640 0.004 0.000 0.221 374 D C -0.392 175.930 176.300 0.036 0.000 1.097 374 D CA 0.087 54.106 54.000 0.033 0.000 0.865 374 D CB 1.231 42.136 40.800 0.175 0.000 1.034 374 D HN 0.407 nan 8.370 nan 0.000 0.511 375 S N 1.132 116.761 115.700 -0.119 0.000 2.758 375 S HA 0.299 4.771 4.470 0.004 0.000 0.292 375 S C 0.093 174.300 174.600 -0.654 0.000 1.131 375 S CA -0.931 57.090 58.200 -0.298 0.000 0.997 375 S CB 1.745 64.851 63.200 -0.157 0.000 1.111 375 S HN 0.148 nan 8.310 nan 0.000 0.552 376 D N 0.890 120.798 120.400 -0.819 0.000 2.508 376 D HA 0.481 5.123 4.640 0.004 0.000 0.224 376 D C -0.897 175.230 176.300 -0.289 0.000 1.171 376 D CA 0.291 53.927 54.000 -0.607 0.000 1.006 376 D CB -0.700 39.842 40.800 -0.431 0.000 1.073 376 D HN 0.438 nan 8.370 nan 0.000 0.513 377 S N 2.241 117.811 115.700 -0.216 0.000 2.579 377 S HA 0.248 4.721 4.470 0.004 0.000 0.272 377 S C -1.120 173.474 174.600 -0.010 0.000 1.141 377 S CA -0.950 57.184 58.200 -0.111 0.000 0.843 377 S CB 1.294 64.429 63.200 -0.107 0.000 1.122 377 S HN 0.424 nan 8.310 nan 0.000 0.468 378 W N 3.432 124.644 121.300 -0.148 0.000 2.308 378 W HA 0.258 4.920 4.660 0.003 0.000 0.324 378 W C -1.031 175.451 176.519 -0.062 0.000 1.387 378 W CA 0.728 58.013 57.345 -0.100 0.000 1.250 378 W CB 0.421 29.815 29.460 -0.110 0.000 1.257 378 W HN 0.637 nan 8.180 nan 0.000 0.554 379 D N 4.666 124.645 120.400 -0.701 0.000 2.476 379 D HA 0.128 4.770 4.640 0.004 0.000 0.251 379 D C 0.889 176.744 176.300 -0.741 0.000 1.291 379 D CA -0.349 53.359 54.000 -0.487 0.000 0.939 379 D CB 1.429 42.109 40.800 -0.201 0.000 1.221 379 D HN 0.307 nan 8.370 nan 0.000 0.567 380 T N 2.531 116.704 114.554 -0.634 0.000 2.685 380 T HA -0.179 4.174 4.350 0.004 0.000 0.268 380 T C 1.679 176.156 174.700 -0.371 0.000 1.034 380 T CA 1.326 63.130 62.100 -0.493 0.000 1.149 380 T CB -0.375 68.293 68.868 -0.333 0.000 0.860 380 T HN 0.424 nan 8.240 nan 0.000 0.449 381 F N 1.803 121.609 119.950 -0.240 0.000 2.095 381 F HA -0.063 4.467 4.527 0.004 0.000 0.298 381 F C 2.773 178.491 175.800 -0.138 0.000 1.104 381 F CA 1.070 58.979 58.000 -0.151 0.000 1.232 381 F CB -0.970 37.971 39.000 -0.097 0.000 0.987 381 F HN 0.149 nan 8.300 nan 0.000 0.475 382 A N -0.079 122.752 122.820 0.018 0.000 1.898 382 A HA -0.042 4.280 4.320 0.004 0.000 0.216 382 A C 2.393 179.932 177.584 -0.075 0.000 1.181 382 A CA 1.731 53.756 52.037 -0.021 0.000 0.620 382 A CB -1.347 17.621 19.000 -0.052 0.000 0.819 382 A HN 0.318 nan 8.150 nan 0.000 0.442 383 A N -0.492 122.183 122.820 -0.242 0.000 1.877 383 A HA -0.082 4.240 4.320 0.004 0.000 0.216 383 A C 2.444 179.981 177.584 -0.078 0.000 1.186 383 A CA 2.114 54.013 52.037 -0.229 0.000 0.620 383 A CB -0.931 17.734 19.000 -0.559 0.000 0.822 383 A HN 0.452 nan 8.150 nan 0.000 0.443 384 S N -0.110 115.529 115.700 -0.102 0.000 2.382 384 S HA -0.103 4.370 4.470 0.004 0.000 0.228 384 S C 1.806 176.425 174.600 0.032 0.000 1.027 384 S CA 1.476 59.649 58.200 -0.045 0.000 0.991 384 S CB -0.453 62.678 63.200 -0.116 0.000 0.823 384 S HN 0.500 nan 8.310 nan 0.000 0.469 385 L N 0.973 122.223 121.223 0.044 0.000 2.056 385 L HA -0.102 4.241 4.340 0.004 0.000 0.207 385 L C 2.779 179.788 176.870 0.232 0.000 1.078 385 L CA 1.129 56.043 54.840 0.123 0.000 0.749 385 L CB -0.665 41.428 42.059 0.058 0.000 0.901 385 L HN 0.320 nan 8.230 nan 0.000 0.433 386 A N 0.091 122.999 122.820 0.146 0.000 1.902 386 A HA -0.165 4.157 4.320 0.004 0.000 0.217 386 A C 2.525 180.177 177.584 0.113 0.000 1.181 386 A CA 1.678 53.799 52.037 0.139 0.000 0.623 386 A CB -0.719 18.350 19.000 0.114 0.000 0.818 386 A HN 0.389 nan 8.150 nan 0.000 0.443 387 A N -0.413 122.466 122.820 0.098 0.000 1.972 387 A HA 0.211 4.533 4.320 0.004 0.000 0.219 387 A C 2.185 179.822 177.584 0.088 0.000 1.169 387 A CA 1.808 53.896 52.037 0.084 0.000 0.635 387 A CB -0.675 18.369 19.000 0.074 0.000 0.810 387 A HN 1.120 nan 8.150 nan 0.000 0.446 388 A N -1.800 121.105 122.820 0.142 0.000 2.307 388 A HA 0.445 4.767 4.320 0.004 0.000 0.218 388 A C 1.522 179.140 177.584 0.058 0.000 1.228 388 A CA 0.999 53.139 52.037 0.172 0.000 0.857 388 A CB -0.895 18.293 19.000 0.314 0.000 0.897 388 A HN 1.877 nan 8.150 nan 0.000 0.495 389 G N -1.499 107.299 108.800 -0.004 0.000 2.142 389 G HA2 -0.212 3.750 3.960 0.004 0.000 0.225 389 G HA3 -0.212 3.750 3.960 0.004 0.000 0.225 389 G C -0.267 174.365 174.900 -0.447 0.000 1.015 389 G CA -0.008 44.960 45.100 -0.220 0.000 0.716 389 G HN 0.330 nan 8.290 nan 0.000 0.508 390 F N 1.317 121.229 119.950 -0.063 0.000 2.469 390 F HA 0.574 5.103 4.527 0.004 0.000 0.332 390 F C 0.969 176.746 175.800 -0.038 0.000 1.103 390 F CA -1.227 56.742 58.000 -0.052 0.000 0.979 390 F CB 1.033 40.055 39.000 0.037 0.000 1.137 390 F HN 0.062 nan 8.300 nan 0.000 0.463 391 H N 1.766 120.995 119.070 0.265 0.000 2.790 391 H HA 0.373 4.930 4.556 0.003 0.000 0.358 391 H C -0.402 175.073 175.328 0.246 0.000 1.103 391 H CA -0.101 56.076 56.048 0.216 0.000 1.426 391 H CB 1.141 31.009 29.762 0.177 0.000 1.424 391 H HN 0.269 nan 8.280 nan 0.000 0.599 392 V N 3.251 123.364 119.914 0.332 0.000 2.540 392 V HA 0.251 4.373 4.120 0.004 0.000 0.302 392 V C -0.003 176.239 176.094 0.246 0.000 1.035 392 V CA -0.783 61.668 62.300 0.252 0.000 0.873 392 V CB 2.033 33.964 31.823 0.180 0.000 0.992 392 V HN 0.434 nan 8.190 nan 0.000 0.428 393 V N 5.871 125.930 119.914 0.241 0.000 2.407 393 V HA 0.507 4.629 4.120 0.004 0.000 0.291 393 V C -0.315 175.895 176.094 0.193 0.000 1.018 393 V CA -0.333 62.111 62.300 0.240 0.000 0.842 393 V CB 1.648 33.660 31.823 0.314 0.000 0.996 393 V HN 0.902 nan 8.190 nan 0.000 0.426 394 M N 8.497 128.199 119.600 0.169 0.000 2.027 394 M HA 0.407 4.889 4.480 0.004 0.000 0.329 394 M C -2.833 173.563 176.300 0.161 0.000 0.971 394 M CA -1.424 53.982 55.300 0.178 0.000 0.933 394 M CB 2.287 35.000 32.600 0.187 0.000 1.392 394 M HN 0.339 nan 8.290 nan 0.000 0.394 395 P HA 0.213 nan 4.420 nan 0.000 0.301 395 P C -1.173 176.261 177.300 0.223 0.000 1.338 395 P CA -0.477 62.709 63.100 0.144 0.000 0.834 395 P CB 0.864 32.668 31.700 0.173 0.000 0.967 396 N N 3.711 122.483 118.700 0.121 0.000 2.895 396 N HA 0.047 4.789 4.740 0.004 0.000 0.277 396 N C 0.244 175.924 175.510 0.284 0.000 1.185 396 N CA -0.047 53.094 53.050 0.152 0.000 1.106 396 N CB -0.406 38.099 38.487 0.031 0.000 1.422 396 N HN 0.481 nan 8.380 nan 0.000 0.521 397 Y N 0.075 120.540 120.300 0.276 0.000 2.550 397 Y HA 0.060 4.612 4.550 0.003 0.000 0.343 397 Y C 1.156 177.106 175.900 0.082 0.000 1.245 397 Y CA -1.295 56.932 58.100 0.211 0.000 1.462 397 Y CB 0.348 38.850 38.460 0.069 0.000 1.340 397 Y HN 0.274 nan 8.280 nan 0.000 0.604 398 R N 1.273 121.663 120.500 -0.182 0.000 2.585 398 R HA 0.375 4.717 4.340 0.004 0.000 0.275 398 R C 0.787 176.882 176.300 -0.342 0.000 1.018 398 R CA 0.516 55.998 56.100 -1.031 0.000 1.072 398 R CB -0.158 29.449 30.300 -1.154 0.000 0.953 398 R HN 1.349 nan 8.270 nan 0.000 0.419 399 G N 1.746 110.334 108.800 -0.354 0.000 2.284 399 G HA2 -0.270 3.692 3.960 0.004 0.000 0.216 399 G HA3 -0.270 3.692 3.960 0.004 0.000 0.216 399 G C -0.060 174.905 174.900 0.108 0.000 1.009 399 G CA 0.065 45.168 45.100 0.005 0.000 0.625 399 G HN 0.674 nan 8.290 nan 0.000 0.501 400 S N 1.474 117.171 115.700 -0.004 0.000 2.576 400 S HA 0.513 4.985 4.470 0.004 0.000 0.272 400 S C 0.892 175.643 174.600 0.250 0.000 1.352 400 S CA 0.654 58.937 58.200 0.138 0.000 1.021 400 S CB 1.083 64.413 63.200 0.216 0.000 0.887 400 S HN 1.258 nan 8.310 nan 0.000 0.542 401 T N -1.726 112.940 114.554 0.187 0.000 2.912 401 T HA 0.656 5.008 4.350 0.004 0.000 0.280 401 T C 1.068 175.886 174.700 0.196 0.000 0.989 401 T CA -0.094 62.104 62.100 0.164 0.000 0.995 401 T CB 1.099 70.017 68.868 0.084 0.000 1.077 401 T HN 1.276 nan 8.240 nan 0.000 0.531 402 G N -0.153 108.698 108.800 0.085 0.000 2.176 402 G HA2 -0.209 3.753 3.960 0.004 0.000 0.232 402 G HA3 -0.209 3.753 3.960 0.004 0.000 0.232 402 G C -0.006 174.621 174.900 -0.455 0.000 0.986 402 G CA 0.181 45.199 45.100 -0.137 0.000 0.643 402 G HN 0.812 nan 8.290 nan 0.000 0.522 403 Y N 0.412 120.767 120.300 0.092 0.000 2.750 403 Y HA 0.492 5.044 4.550 0.003 0.000 0.247 403 Y C 1.131 177.088 175.900 0.097 0.000 1.098 403 Y CA 0.133 58.270 58.100 0.061 0.000 1.120 403 Y CB 1.003 39.438 38.460 -0.042 0.000 1.210 403 Y HN 1.278 nan 8.280 nan 0.000 0.601 404 G N 0.559 109.450 108.800 0.151 0.000 2.690 404 G HA2 -0.236 3.726 3.960 0.004 0.000 0.686 404 G HA3 -0.236 3.726 3.960 0.004 0.000 0.686 404 G C 0.167 175.151 174.900 0.139 0.000 1.277 404 G CA -0.160 45.011 45.100 0.118 0.000 0.799 404 G HN 0.235 nan 8.290 nan 0.000 0.613 405 E N -0.190 120.051 120.200 0.068 0.000 2.152 405 E HA -0.048 4.304 4.350 0.004 0.000 0.192 405 E C 2.155 178.790 176.600 0.058 0.000 0.983 405 E CA 1.957 58.375 56.400 0.029 0.000 0.818 405 E CB -0.079 29.610 29.700 -0.020 0.000 0.758 405 E HN 0.663 nan 8.360 nan 0.000 0.467 406 E N -0.351 119.908 120.200 0.098 0.000 2.058 406 E HA -0.214 4.139 4.350 0.004 0.000 0.194 406 E C 1.736 178.444 176.600 0.180 0.000 0.997 406 E CA 1.272 57.740 56.400 0.113 0.000 0.801 406 E CB -0.428 29.345 29.700 0.121 0.000 0.746 406 E HN 0.537 nan 8.360 nan 0.000 0.450 407 W N 1.685 123.020 121.300 0.057 0.000 2.374 407 W HA -0.159 4.503 4.660 0.004 0.000 0.288 407 W C 2.183 178.754 176.519 0.086 0.000 1.218 407 W CA 1.168 58.563 57.345 0.084 0.000 1.245 407 W CB -0.074 29.458 29.460 0.119 0.000 1.126 407 W HN 0.085 nan 8.180 nan 0.000 0.545 408 R N 0.533 121.093 120.500 0.101 0.000 2.073 408 R HA -0.125 4.217 4.340 0.004 0.000 0.229 408 R C 2.283 178.549 176.300 -0.057 0.000 1.120 408 R CA 1.256 57.354 56.100 -0.003 0.000 0.967 408 R CB -0.654 29.625 30.300 -0.035 0.000 0.862 408 R HN 0.233 nan 8.270 nan 0.000 0.436 409 L N 0.478 121.663 121.223 -0.063 0.000 2.478 409 L HA -0.009 4.333 4.340 0.004 0.000 0.223 409 L C 1.936 178.777 176.870 -0.049 0.000 1.140 409 L CA 0.730 55.529 54.840 -0.068 0.000 0.842 409 L CB -0.099 41.921 42.059 -0.066 0.000 0.953 409 L HN 0.098 nan 8.230 nan 0.000 0.452 410 K N 0.311 120.664 120.400 -0.079 0.000 2.362 410 K HA -0.103 4.219 4.320 0.004 0.000 0.200 410 K C 1.954 178.512 176.600 -0.071 0.000 1.046 410 K CA 0.938 57.173 56.287 -0.087 0.000 0.952 410 K CB 0.053 32.454 32.500 -0.164 0.000 0.753 410 K HN 0.281 nan 8.250 nan 0.000 0.466 411 I N 1.046 121.581 120.570 -0.058 0.000 2.761 411 I HA -0.083 4.089 4.170 0.004 0.000 0.261 411 I C -0.037 176.076 176.117 -0.006 0.000 1.198 411 I CA 0.164 61.459 61.300 -0.009 0.000 1.482 411 I CB 0.393 38.405 38.000 0.020 0.000 1.100 411 I HN -0.016 nan 8.210 nan 0.000 0.445 412 I N 2.329 122.892 120.570 -0.012 0.000 2.587 412 I HA 0.061 4.233 4.170 0.004 0.000 0.284 412 I C 1.448 177.537 176.117 -0.047 0.000 1.134 412 I CA 0.926 62.202 61.300 -0.040 0.000 1.410 412 I CB -0.629 37.343 38.000 -0.047 0.000 1.392 412 I HN 0.463 nan 8.210 nan 0.000 0.545 413 G N 5.288 114.045 108.800 -0.071 0.000 2.136 413 G HA2 -0.247 3.715 3.960 0.004 0.000 0.242 413 G HA3 -0.247 3.715 3.960 0.004 0.000 0.242 413 G C 0.135 175.015 174.900 -0.034 0.000 0.989 413 G CA 0.329 45.392 45.100 -0.061 0.000 0.682 413 G HN 0.668 nan 8.290 nan 0.000 0.522 414 D N -0.136 120.253 120.400 -0.018 0.000 3.407 414 D HA 0.304 4.946 4.640 0.004 0.000 0.291 414 D C -2.444 173.896 176.300 0.068 0.000 1.309 414 D CA -0.769 53.243 54.000 0.020 0.000 0.747 414 D CB 1.279 42.094 40.800 0.025 0.000 1.343 414 D HN 0.236 nan 8.370 nan 0.000 0.631 415 P HA 0.159 nan 4.420 nan 0.000 0.279 415 P C 0.226 177.709 177.300 0.305 0.000 1.239 415 P CA -0.160 63.110 63.100 0.283 0.000 0.789 415 P CB 1.435 33.295 31.700 0.267 0.000 0.933 416 C N 2.350 121.831 119.300 0.303 0.000 4.209 416 C HA -0.060 4.402 4.460 0.004 0.000 0.305 416 C C 1.125 176.121 174.990 0.011 0.000 1.339 416 C CA 1.037 60.104 59.018 0.081 0.000 2.062 416 C CB -2.251 25.539 27.740 0.082 0.000 1.307 416 C HN 0.889 nan 8.230 nan 0.000 0.706 417 G N 0.136 108.928 108.800 -0.013 0.000 3.481 417 G HA2 0.522 4.485 3.960 0.004 0.000 0.180 417 G HA3 0.522 4.485 3.960 0.004 0.000 0.180 417 G C 1.096 175.888 174.900 -0.179 0.000 1.345 417 G CA 0.814 45.863 45.100 -0.085 0.000 1.104 417 G HN 1.153 nan 8.290 nan 0.000 0.749 418 G N 0.903 109.636 108.800 -0.113 0.000 2.446 418 G HA2 -0.161 3.801 3.960 0.004 0.000 0.217 418 G HA3 -0.161 3.801 3.960 0.004 0.000 0.217 418 G C 1.539 176.423 174.900 -0.026 0.000 1.168 418 G CA 1.951 47.004 45.100 -0.079 0.000 0.771 418 G HN 0.616 nan 8.290 nan 0.000 0.551 419 E N 0.773 120.981 120.200 0.013 0.000 2.110 419 E HA -0.126 4.226 4.350 0.004 0.000 0.193 419 E C 2.435 179.020 176.600 -0.026 0.000 0.988 419 E CA 1.063 57.499 56.400 0.059 0.000 0.804 419 E CB -0.640 29.143 29.700 0.139 0.000 0.745 419 E HN 0.377 nan 8.360 nan 0.000 0.458 420 L N 1.514 122.690 121.223 -0.079 0.000 2.093 420 L HA -0.118 4.224 4.340 0.004 0.000 0.208 420 L C 2.286 179.108 176.870 -0.080 0.000 1.085 420 L CA 1.735 56.510 54.840 -0.108 0.000 0.755 420 L CB -0.318 41.660 42.059 -0.134 0.000 0.904 420 L HN -0.060 nan 8.230 nan 0.000 0.435 421 E N 0.012 120.125 120.200 -0.145 0.000 2.110 421 E HA -0.207 4.145 4.350 0.004 0.000 0.193 421 E C 1.849 178.487 176.600 0.064 0.000 0.988 421 E CA 1.352 57.675 56.400 -0.130 0.000 0.804 421 E CB -0.388 29.036 29.700 -0.460 0.000 0.745 421 E HN 0.596 nan 8.360 nan 0.000 0.458 422 D N 0.565 121.044 120.400 0.132 0.000 2.092 422 D HA -0.123 4.519 4.640 0.004 0.000 0.193 422 D C 2.216 178.625 176.300 0.182 0.000 0.994 422 D CA 0.845 54.979 54.000 0.223 0.000 0.828 422 D CB -0.465 40.521 40.800 0.310 0.000 0.963 422 D HN 0.006 nan 8.370 nan 0.000 0.450 423 V N 1.227 121.223 119.914 0.136 0.000 2.282 423 V HA -0.277 3.845 4.120 0.004 0.000 0.249 423 V C 2.541 178.746 176.094 0.185 0.000 1.057 423 V CA 2.044 64.429 62.300 0.141 0.000 1.032 423 V CB -0.664 31.189 31.823 0.050 0.000 0.645 423 V HN 0.153 nan 8.190 nan 0.000 0.447 424 S N 0.197 115.975 115.700 0.130 0.000 2.368 424 S HA -0.174 4.298 4.470 0.004 0.000 0.225 424 S C 2.220 176.875 174.600 0.092 0.000 1.030 424 S CA 1.376 59.625 58.200 0.082 0.000 0.999 424 S CB -0.583 62.626 63.200 0.016 0.000 0.844 424 S HN 0.673 nan 8.310 nan 0.000 0.459 425 A N 1.673 124.571 122.820 0.130 0.000 1.940 425 A HA 0.058 4.381 4.320 0.004 0.000 0.219 425 A C 2.352 180.062 177.584 0.210 0.000 1.176 425 A CA 1.745 53.880 52.037 0.162 0.000 0.631 425 A CB -1.064 18.046 19.000 0.183 0.000 0.814 425 A HN 0.524 nan 8.150 nan 0.000 0.446 426 A N -0.100 122.846 122.820 0.209 0.000 1.877 426 A HA 0.161 4.483 4.320 0.004 0.000 0.216 426 A C 2.540 180.323 177.584 0.332 0.000 1.186 426 A CA 2.147 54.340 52.037 0.260 0.000 0.620 426 A CB -1.119 18.006 19.000 0.209 0.000 0.822 426 A HN 1.069 nan 8.150 nan 0.000 0.443 427 A N -0.409 122.557 122.820 0.242 0.000 1.865 427 A HA -0.217 4.105 4.320 0.004 0.000 0.217 427 A C 2.262 179.891 177.584 0.074 0.000 1.191 427 A CA 1.872 53.998 52.037 0.148 0.000 0.623 427 A CB -0.628 18.341 19.000 -0.051 0.000 0.826 427 A HN 0.530 nan 8.150 nan 0.000 0.444 428 R N -1.761 118.775 120.500 0.061 0.000 2.112 428 R HA -0.266 4.077 4.340 0.004 0.000 0.242 428 R C 2.063 178.418 176.300 0.091 0.000 1.137 428 R CA 2.289 58.419 56.100 0.050 0.000 0.944 428 R CB -0.521 29.824 30.300 0.076 0.000 0.857 428 R HN 0.772 nan 8.270 nan 0.000 0.435 429 W N 0.683 121.997 121.300 0.024 0.000 2.363 429 W HA -0.175 4.487 4.660 0.003 0.000 0.296 429 W C 1.997 178.532 176.519 0.027 0.000 1.212 429 W CA 1.911 59.274 57.345 0.029 0.000 1.260 429 W CB -0.363 29.121 29.460 0.040 0.000 1.131 429 W HN 0.212 nan 8.180 nan 0.000 0.530 430 A N 0.621 123.412 122.820 -0.049 0.000 1.877 430 A HA -0.176 4.146 4.320 0.004 0.000 0.216 430 A C 2.140 179.529 177.584 -0.325 0.000 1.186 430 A CA 1.866 53.733 52.037 -0.282 0.000 0.620 430 A CB -0.917 18.141 19.000 0.096 0.000 0.822 430 A HN 0.417 nan 8.150 nan 0.000 0.443 431 R N -0.566 119.827 120.500 -0.179 0.000 2.062 431 R HA -0.098 4.245 4.340 0.004 0.000 0.229 431 R C 2.162 178.344 176.300 -0.197 0.000 1.128 431 R CA 1.468 57.474 56.100 -0.155 0.000 0.960 431 R CB -0.280 29.959 30.300 -0.102 0.000 0.855 431 R HN 0.675 nan 8.270 nan 0.000 0.432 432 E N -0.003 120.074 120.200 -0.205 0.000 2.070 432 E HA -0.202 4.150 4.350 0.004 0.000 0.197 432 E C 1.771 178.218 176.600 -0.256 0.000 1.004 432 E CA 1.928 58.218 56.400 -0.184 0.000 0.805 432 E CB -0.004 29.625 29.700 -0.118 0.000 0.744 432 E HN 0.418 nan 8.360 nan 0.000 0.451 433 S N -1.472 113.935 115.700 -0.489 0.000 2.522 433 S HA 0.064 4.537 4.470 0.004 0.000 0.227 433 S C 1.505 175.916 174.600 -0.315 0.000 0.986 433 S CA 0.724 58.645 58.200 -0.465 0.000 0.929 433 S CB 0.636 63.315 63.200 -0.868 0.000 0.769 433 S HN 0.427 nan 8.310 nan 0.000 0.529 434 G N 0.385 109.013 108.800 -0.287 0.000 2.179 434 G HA2 -0.215 3.747 3.960 0.004 0.000 0.220 434 G HA3 -0.215 3.747 3.960 0.004 0.000 0.220 434 G C 0.405 175.204 174.900 -0.169 0.000 0.990 434 G CA 0.242 45.236 45.100 -0.176 0.000 0.646 434 G HN 0.549 nan 8.290 nan 0.000 0.517 435 L N 0.964 122.031 121.223 -0.260 0.000 2.095 435 L HA 0.731 5.073 4.340 0.004 0.000 0.204 435 L C 1.621 178.474 176.870 -0.030 0.000 1.080 435 L CA 2.433 57.146 54.840 -0.212 0.000 0.759 435 L CB -0.239 41.639 42.059 -0.303 0.000 0.914 435 L HN 0.905 nan 8.230 nan 0.000 0.439 436 A N -1.599 121.197 122.820 -0.040 0.000 2.303 436 A HA 0.525 4.848 4.320 0.004 0.000 0.320 436 A C 0.937 178.527 177.584 0.010 0.000 1.192 436 A CA 0.138 52.205 52.037 0.050 0.000 0.821 436 A CB 0.799 19.827 19.000 0.046 0.000 1.188 436 A HN 0.374 nan 8.150 nan 0.000 0.492 437 S N 1.339 117.061 115.700 0.036 0.000 2.458 437 S HA 0.148 4.620 4.470 0.004 0.000 0.223 437 S C 0.397 174.986 174.600 -0.020 0.000 1.019 437 S CA 0.678 58.879 58.200 0.003 0.000 0.937 437 S CB -0.275 62.933 63.200 0.012 0.000 0.788 437 S HN 0.912 nan 8.310 nan 0.000 0.511 438 E N -0.168 120.023 120.200 -0.015 0.000 2.375 438 E HA 0.613 4.966 4.350 0.004 0.000 0.280 438 E C -1.838 174.670 176.600 -0.154 0.000 0.972 438 E CA -1.052 55.285 56.400 -0.106 0.000 0.782 438 E CB 1.013 30.637 29.700 -0.126 0.000 1.229 438 E HN 0.182 nan 8.360 nan 0.000 0.439 439 L N 2.399 123.463 121.223 -0.265 0.000 2.341 439 L HA 0.555 4.897 4.340 0.004 0.000 0.278 439 L C -1.293 175.507 176.870 -0.117 0.000 1.005 439 L CA -0.726 54.075 54.840 -0.066 0.000 0.818 439 L CB 1.109 43.165 42.059 -0.005 0.000 1.259 439 L HN 0.583 nan 8.230 nan 0.000 0.418 440 Y N 3.033 123.560 120.300 0.378 0.000 2.562 440 Y HA 0.644 5.196 4.550 0.003 0.000 0.343 440 Y C -0.316 175.542 175.900 -0.071 0.000 1.025 440 Y CA -0.779 57.446 58.100 0.208 0.000 1.082 440 Y CB 2.435 40.950 38.460 0.092 0.000 1.264 440 Y HN 0.369 nan 8.280 nan 0.000 0.478 441 I N 3.457 123.824 120.570 -0.339 0.000 2.509 441 I HA 0.611 4.783 4.170 0.004 0.000 0.293 441 I C -1.354 174.580 176.117 -0.304 0.000 1.020 441 I CA -0.821 60.085 61.300 -0.656 0.000 1.088 441 I CB 1.444 38.574 38.000 -1.450 0.000 1.267 441 I HN 0.817 nan 8.210 nan 0.000 0.430 442 M N 6.827 126.291 119.600 -0.226 0.000 2.470 442 M HA 0.786 5.268 4.480 0.004 0.000 0.285 442 M C -1.456 174.733 176.300 -0.185 0.000 1.213 442 M CA -0.258 54.928 55.300 -0.189 0.000 0.901 442 M CB 2.362 34.895 32.600 -0.112 0.000 1.718 442 M HN 0.724 nan 8.290 nan 0.000 0.469 443 G N 2.348 110.973 108.800 -0.291 0.000 2.473 443 G HA2 0.473 4.435 3.960 0.004 0.000 0.298 443 G HA3 0.473 4.435 3.960 0.004 0.000 0.298 443 G C -2.665 171.987 174.900 -0.413 0.000 1.575 443 G CA -0.571 44.395 45.100 -0.225 0.000 0.846 443 G HN 0.672 nan 8.290 nan 0.000 0.585 444 Y N 1.075 121.295 120.300 -0.133 0.000 2.509 444 Y HA 0.669 5.221 4.550 0.003 0.000 0.341 444 Y C 1.321 177.201 175.900 -0.034 0.000 1.038 444 Y CA 0.639 58.671 58.100 -0.112 0.000 1.089 444 Y CB 2.270 40.613 38.460 -0.195 0.000 1.241 444 Y HN 1.547 nan 8.280 nan 0.000 0.468 445 S N 1.267 117.042 115.700 0.126 0.000 4.139 445 S HA -0.457 4.015 4.470 0.004 0.000 0.603 445 S C 1.117 175.800 174.600 0.138 0.000 1.897 445 S CA 1.816 60.086 58.200 0.116 0.000 4.241 445 S CB -1.566 61.719 63.200 0.141 0.000 0.221 445 S HN 0.858 nan 8.310 nan 0.000 0.488 446 Y N 2.797 123.163 120.300 0.110 0.000 2.274 446 Y HA 0.143 4.695 4.550 0.003 0.000 0.290 446 Y C 2.597 178.564 175.900 0.112 0.000 1.145 446 Y CA 2.480 60.672 58.100 0.153 0.000 1.203 446 Y CB -1.050 37.527 38.460 0.194 0.000 0.984 446 Y HN 0.646 nan 8.280 nan 0.000 0.533 447 G N -0.803 108.097 108.800 0.167 0.000 2.418 447 G HA2 -0.252 3.710 3.960 0.004 0.000 0.217 447 G HA3 -0.252 3.710 3.960 0.004 0.000 0.217 447 G C 1.942 176.768 174.900 -0.125 0.000 1.158 447 G CA 0.773 45.879 45.100 0.009 0.000 0.771 447 G HN 0.558 nan 8.290 nan 0.000 0.545 448 G N -0.030 108.702 108.800 -0.114 0.000 2.421 448 G HA2 -0.290 3.672 3.960 0.004 0.000 0.216 448 G HA3 -0.290 3.672 3.960 0.004 0.000 0.216 448 G C 1.649 176.445 174.900 -0.173 0.000 1.171 448 G CA 1.147 46.141 45.100 -0.178 0.000 0.775 448 G HN 0.445 nan 8.290 nan 0.000 0.543 449 Y N 0.810 120.927 120.300 -0.304 0.000 2.207 449 Y HA -0.153 4.399 4.550 0.004 0.000 0.287 449 Y C 2.756 178.429 175.900 -0.378 0.000 1.156 449 Y CA 1.768 59.634 58.100 -0.391 0.000 1.182 449 Y CB -0.067 38.057 38.460 -0.560 0.000 0.979 449 Y HN 0.081 nan 8.280 nan 0.000 0.521 450 M N -0.560 118.773 119.600 -0.445 0.000 2.117 450 M HA -0.196 4.286 4.480 0.004 0.000 0.262 450 M C 2.056 178.133 176.300 -0.372 0.000 1.065 450 M CA 1.990 57.017 55.300 -0.454 0.000 1.114 450 M CB -1.442 30.945 32.600 -0.354 0.000 1.361 450 M HN 0.250 nan 8.290 nan 0.000 0.408 451 T N 1.556 115.919 114.554 -0.319 0.000 2.684 451 T HA -0.110 4.242 4.350 0.004 0.000 0.267 451 T C 2.013 176.560 174.700 -0.255 0.000 1.036 451 T CA 1.143 63.069 62.100 -0.290 0.000 1.148 451 T CB -0.319 68.384 68.868 -0.274 0.000 0.863 451 T HN 0.317 nan 8.240 nan 0.000 0.436 452 L N 0.244 121.300 121.223 -0.279 0.000 2.141 452 L HA -0.095 4.247 4.340 0.004 0.000 0.209 452 L C 2.820 179.527 176.870 -0.272 0.000 1.094 452 L CA 0.791 55.483 54.840 -0.248 0.000 0.763 452 L CB -0.617 41.294 42.059 -0.246 0.000 0.908 452 L HN 0.406 nan 8.230 nan 0.000 0.437 453 C N -0.425 118.630 119.300 -0.409 0.000 2.457 453 C HA -0.053 4.409 4.460 0.004 0.000 0.278 453 C C 3.106 177.965 174.990 -0.219 0.000 1.309 453 C CA 0.689 59.477 59.018 -0.384 0.000 1.735 453 C CB -0.791 26.595 27.740 -0.590 0.000 1.992 453 C HN 0.605 nan 8.230 nan 0.000 0.493 454 A N 0.229 122.948 122.820 -0.168 0.000 1.898 454 A HA -0.027 4.295 4.320 0.004 0.000 0.216 454 A C 2.089 179.690 177.584 0.029 0.000 1.181 454 A CA 1.236 53.264 52.037 -0.015 0.000 0.620 454 A CB -0.517 18.541 19.000 0.096 0.000 0.819 454 A HN 0.579 nan 8.150 nan 0.000 0.442 455 L N 0.065 121.281 121.223 -0.011 0.000 2.217 455 L HA -0.105 4.238 4.340 0.004 0.000 0.211 455 L C 2.824 179.688 176.870 -0.011 0.000 1.107 455 L CA 1.836 56.688 54.840 0.020 0.000 0.783 455 L CB -1.067 40.996 42.059 0.006 0.000 0.919 455 L HN 0.679 nan 8.230 nan 0.000 0.442 456 T N -3.396 111.126 114.554 -0.052 0.000 2.814 456 T HA -0.047 4.305 4.350 0.004 0.000 0.254 456 T C 1.836 176.485 174.700 -0.086 0.000 1.037 456 T CA 0.459 62.528 62.100 -0.052 0.000 1.143 456 T CB -0.021 68.821 68.868 -0.043 0.000 0.866 456 T HN -0.016 nan 8.240 nan 0.000 0.431 457 M N 0.944 120.471 119.600 -0.122 0.000 2.435 457 M HA 0.282 4.764 4.480 0.004 0.000 0.265 457 M C 0.766 177.009 176.300 -0.096 0.000 1.104 457 M CA 0.925 56.137 55.300 -0.148 0.000 1.140 457 M CB -0.473 32.021 32.600 -0.176 0.000 1.372 457 M HN 0.197 nan 8.290 nan 0.000 0.456 458 K N 1.097 121.461 120.400 -0.060 0.000 3.163 458 K HA 0.329 4.651 4.320 0.004 0.000 0.186 458 K C -2.560 174.027 176.600 -0.023 0.000 1.111 458 K CA -1.218 55.042 56.287 -0.046 0.000 0.918 458 K CB 1.076 33.551 32.500 -0.042 0.000 1.059 458 K HN 0.108 nan 8.250 nan 0.000 0.558 459 P HA 0.000 nan 4.420 nan 0.000 0.272 459 P C 0.808 178.096 177.300 -0.020 0.000 1.223 459 P CA 0.826 63.925 63.100 -0.001 0.000 0.784 459 P CB 0.844 32.543 31.700 -0.002 0.000 0.923 460 G N 0.585 109.377 108.800 -0.013 0.000 2.179 460 G HA2 -0.302 3.661 3.960 0.004 0.000 0.260 460 G HA3 -0.302 3.661 3.960 0.004 0.000 0.260 460 G C 0.489 175.335 174.900 -0.091 0.000 0.977 460 G CA 0.366 45.443 45.100 -0.039 0.000 0.641 460 G HN 0.560 nan 8.290 nan 0.000 0.533 461 L N -0.398 120.747 121.223 -0.131 0.000 2.071 461 L HA 0.594 4.936 4.340 0.004 0.000 0.201 461 L C 0.997 177.595 176.870 -0.453 0.000 1.076 461 L CA 1.134 55.777 54.840 -0.328 0.000 0.755 461 L CB -0.296 41.502 42.059 -0.436 0.000 0.915 461 L HN 0.165 nan 8.230 nan 0.000 0.445 462 F N -0.169 119.758 119.950 -0.040 0.000 2.422 462 F HA 0.299 4.828 4.527 0.003 0.000 0.333 462 F C 1.500 177.266 175.800 -0.057 0.000 1.095 462 F CA -0.463 57.504 58.000 -0.056 0.000 1.038 462 F CB 1.113 40.110 39.000 -0.005 0.000 1.156 462 F HN -0.122 nan 8.300 nan 0.000 0.483 463 K N 1.762 122.181 120.400 0.032 0.000 2.147 463 K HA 0.187 4.509 4.320 0.004 0.000 0.205 463 K C 0.081 176.793 176.600 0.187 0.000 1.049 463 K CA 1.189 57.478 56.287 0.004 0.000 0.936 463 K CB 0.156 32.519 32.500 -0.228 0.000 0.722 463 K HN 0.778 nan 8.250 nan 0.000 0.446 464 A N -1.111 121.908 122.820 0.332 0.000 2.566 464 A HA 0.613 4.935 4.320 0.004 0.000 0.290 464 A C -1.126 176.680 177.584 0.370 0.000 1.071 464 A CA -0.431 51.841 52.037 0.392 0.000 0.658 464 A CB 1.325 20.555 19.000 0.384 0.000 1.285 464 A HN 0.185 nan 8.150 nan 0.000 0.427 465 G N -0.719 108.279 108.800 0.331 0.000 2.719 465 G HA2 0.624 4.586 3.960 0.004 0.000 0.298 465 G HA3 0.624 4.586 3.960 0.004 0.000 0.298 465 G C -1.700 173.194 174.900 -0.011 0.000 1.411 465 G CA -0.420 44.735 45.100 0.091 0.000 0.991 465 G HN 1.213 nan 8.290 nan 0.000 0.509 466 V N 1.188 121.027 119.914 -0.125 0.000 2.357 466 V HA 0.698 4.821 4.120 0.004 0.000 0.284 466 V C 0.335 176.241 176.094 -0.313 0.000 1.018 466 V CA -0.672 61.470 62.300 -0.263 0.000 0.841 466 V CB 1.333 33.019 31.823 -0.228 0.000 0.991 466 V HN 1.120 nan 8.190 nan 0.000 0.437 467 A N 4.037 126.677 122.820 -0.301 0.000 2.277 467 A HA 0.798 5.121 4.320 0.004 0.000 0.318 467 A C 0.358 177.768 177.584 -0.291 0.000 1.339 467 A CA -0.166 51.696 52.037 -0.292 0.000 0.875 467 A CB 0.720 19.591 19.000 -0.214 0.000 1.158 467 A HN 0.973 nan 8.150 nan 0.000 0.514 468 G N 1.074 109.593 108.800 -0.468 0.000 2.379 468 G HA2 0.633 4.596 3.960 0.004 0.000 0.327 468 G HA3 0.633 4.596 3.960 0.004 0.000 0.327 468 G C 0.668 175.527 174.900 -0.069 0.000 1.145 468 G CA 0.095 44.985 45.100 -0.350 0.000 0.905 468 G HN 2.263 nan 8.290 nan 0.000 0.466 469 A N 1.083 123.912 122.820 0.015 0.000 2.511 469 A HA -0.027 4.295 4.320 0.004 0.000 0.297 469 A C 1.191 178.773 177.584 -0.003 0.000 1.476 469 A CA 0.989 52.952 52.037 -0.124 0.000 0.757 469 A CB -2.079 16.886 19.000 -0.059 0.000 1.072 469 A HN 2.184 nan 8.150 nan 0.000 0.413 470 S N -1.375 114.386 115.700 0.102 0.000 2.669 470 S HA 0.739 5.211 4.470 0.004 0.000 0.270 470 S C 0.071 174.673 174.600 0.004 0.000 1.225 470 S CA -0.297 57.914 58.200 0.018 0.000 0.991 470 S CB 1.940 65.111 63.200 -0.048 0.000 0.987 470 S HN 1.226 nan 8.310 nan 0.000 0.552 471 V N 2.060 121.904 119.914 -0.116 0.000 2.398 471 V HA 0.284 4.406 4.120 0.004 0.000 0.286 471 V C 0.696 176.633 176.094 -0.262 0.000 1.026 471 V CA -0.626 61.499 62.300 -0.292 0.000 0.868 471 V CB 1.177 32.590 31.823 -0.682 0.000 0.982 471 V HN 0.885 nan 8.190 nan 0.000 0.443 472 V N 1.780 121.540 119.914 -0.256 0.000 2.795 472 V HA 0.203 4.325 4.120 0.004 0.000 0.243 472 V C 0.372 176.337 176.094 -0.215 0.000 1.069 472 V CA 0.920 63.097 62.300 -0.204 0.000 1.089 472 V CB 0.131 31.839 31.823 -0.192 0.000 0.756 472 V HN 0.925 nan 8.190 nan 0.000 0.471 473 D N -2.000 118.246 120.400 -0.257 0.000 2.736 473 D HA 0.174 4.817 4.640 0.004 0.000 0.243 473 D C -0.040 176.181 176.300 -0.131 0.000 1.304 473 D CA -0.639 53.266 54.000 -0.159 0.000 0.934 473 D CB 1.198 41.957 40.800 -0.069 0.000 1.382 473 D HN 0.109 nan 8.370 nan 0.000 0.571 474 W N 2.288 123.627 121.300 0.066 0.000 2.388 474 W HA -0.012 4.650 4.660 0.004 0.000 0.294 474 W C 2.096 178.683 176.519 0.115 0.000 1.212 474 W CA 0.198 57.594 57.345 0.085 0.000 1.271 474 W CB 0.267 29.766 29.460 0.064 0.000 1.126 474 W HN 0.494 nan 8.180 nan 0.000 0.535 475 E N 0.479 120.854 120.200 0.291 0.000 2.031 475 E HA -0.283 4.069 4.350 0.004 0.000 0.193 475 E C 1.947 178.664 176.600 0.195 0.000 0.994 475 E CA 1.667 58.183 56.400 0.193 0.000 0.800 475 E CB -0.287 29.478 29.700 0.109 0.000 0.752 475 E HN 0.380 nan 8.360 nan 0.000 0.447 476 E N 0.522 120.798 120.200 0.126 0.000 2.058 476 E HA -0.227 4.125 4.350 0.004 0.000 0.194 476 E C 2.147 178.817 176.600 0.117 0.000 0.997 476 E CA 1.201 57.654 56.400 0.089 0.000 0.801 476 E CB -0.068 29.647 29.700 0.025 0.000 0.746 476 E HN 0.154 nan 8.360 nan 0.000 0.450 477 M N -0.377 119.302 119.600 0.132 0.000 2.175 477 M HA -0.175 4.307 4.480 0.004 0.000 0.264 477 M C 2.073 178.509 176.300 0.228 0.000 1.063 477 M CA 1.467 56.845 55.300 0.130 0.000 1.119 477 M CB -0.208 32.465 32.600 0.122 0.000 1.377 477 M HN 0.281 nan 8.290 nan 0.000 0.415 478 Y N 1.167 121.593 120.300 0.209 0.000 2.114 478 Y HA -0.313 4.239 4.550 0.004 0.000 0.282 478 Y C 2.120 178.102 175.900 0.137 0.000 1.165 478 Y CA 2.044 60.268 58.100 0.207 0.000 1.148 478 Y CB -0.063 38.507 38.460 0.184 0.000 0.972 478 Y HN 0.257 nan 8.280 nan 0.000 0.504 479 E N 0.434 120.795 120.200 0.269 0.000 2.072 479 E HA -0.076 4.276 4.350 0.004 0.000 0.190 479 E C 0.829 177.452 176.600 0.038 0.000 0.982 479 E CA 0.989 57.483 56.400 0.157 0.000 0.803 479 E CB -0.445 29.361 29.700 0.176 0.000 0.755 479 E HN 0.512 nan 8.360 nan 0.000 0.453 480 L N -0.651 120.591 121.223 0.033 0.000 2.598 480 L HA 0.485 4.828 4.340 0.004 0.000 0.241 480 L C -0.381 176.468 176.870 -0.036 0.000 1.244 480 L CA -0.523 54.313 54.840 -0.006 0.000 1.198 480 L CB 0.687 42.741 42.059 -0.008 0.000 1.448 480 L HN -0.303 nan 8.230 nan 0.000 0.406 481 S N -0.026 115.646 115.700 -0.046 0.000 2.565 481 S HA 0.451 4.923 4.470 0.004 0.000 0.269 481 S C -1.391 173.193 174.600 -0.027 0.000 1.153 481 S CA -0.914 57.257 58.200 -0.049 0.000 0.835 481 S CB 1.785 64.981 63.200 -0.007 0.000 1.122 481 S HN 0.711 nan 8.310 nan 0.000 0.462 482 D N 1.054 121.459 120.400 0.008 0.000 2.372 482 D HA 0.418 5.060 4.640 0.004 0.000 0.243 482 D C 1.282 177.616 176.300 0.057 0.000 1.121 482 D CA -0.127 53.891 54.000 0.030 0.000 0.898 482 D CB 0.786 41.609 40.800 0.040 0.000 1.202 482 D HN 0.475 nan 8.370 nan 0.000 0.428 483 A N 2.942 125.780 122.820 0.030 0.000 1.915 483 A HA -0.208 4.115 4.320 0.004 0.000 0.220 483 A C 2.247 179.874 177.584 0.072 0.000 1.198 483 A CA 3.283 55.337 52.037 0.029 0.000 0.647 483 A CB -1.308 17.711 19.000 0.030 0.000 0.825 483 A HN 0.877 nan 8.150 nan 0.000 0.456 484 A N -1.605 121.276 122.820 0.101 0.000 1.896 484 A HA -0.207 4.115 4.320 0.004 0.000 0.220 484 A C 2.122 179.805 177.584 0.166 0.000 1.206 484 A CA 2.052 54.170 52.037 0.134 0.000 0.647 484 A CB -0.828 18.263 19.000 0.151 0.000 0.828 484 A HN 0.712 nan 8.150 nan 0.000 0.455 485 F N -0.157 119.819 119.950 0.044 0.000 2.234 485 F HA -0.005 4.524 4.527 0.004 0.000 0.296 485 F C 2.493 178.339 175.800 0.078 0.000 1.089 485 F CA 1.185 59.216 58.000 0.050 0.000 1.343 485 F CB -0.124 38.868 39.000 -0.012 0.000 1.040 485 F HN 0.094 nan 8.300 nan 0.000 0.498 486 R N 0.115 120.697 120.500 0.138 0.000 2.119 486 R HA -0.263 4.080 4.340 0.004 0.000 0.246 486 R C 2.136 178.492 176.300 0.092 0.000 1.146 486 R CA 1.728 57.795 56.100 -0.054 0.000 0.962 486 R CB -0.989 29.139 30.300 -0.288 0.000 0.863 486 R HN 0.412 nan 8.270 nan 0.000 0.442 487 N N 0.161 118.912 118.700 0.086 0.000 2.058 487 N HA -0.189 4.553 4.740 0.004 0.000 0.191 487 N C 1.791 177.353 175.510 0.085 0.000 1.037 487 N CA 1.231 54.336 53.050 0.092 0.000 0.848 487 N CB -0.123 38.410 38.487 0.076 0.000 1.021 487 N HN 0.046 nan 8.380 nan 0.000 0.422 488 F N 2.369 122.244 119.950 -0.125 0.000 2.065 488 F HA -0.177 4.352 4.527 0.004 0.000 0.298 488 F C 2.279 177.949 175.800 -0.217 0.000 1.112 488 F CA 1.356 59.231 58.000 -0.208 0.000 1.212 488 F CB -0.639 38.098 39.000 -0.439 0.000 0.975 488 F HN 0.031 nan 8.300 nan 0.000 0.476 489 I N 0.462 121.163 120.570 0.219 0.000 2.163 489 I HA -0.309 3.864 4.170 0.004 0.000 0.243 489 I C 2.799 178.921 176.117 0.008 0.000 1.085 489 I CA 1.799 63.177 61.300 0.130 0.000 1.347 489 I CB -1.338 36.854 38.000 0.320 0.000 1.044 489 I HN 0.388 nan 8.210 nan 0.000 0.408 490 E N 0.721 120.988 120.200 0.110 0.000 2.085 490 E HA -0.319 4.033 4.350 0.004 0.000 0.194 490 E C 1.983 178.552 176.600 -0.052 0.000 0.994 490 E CA 1.858 58.290 56.400 0.053 0.000 0.801 490 E CB -0.860 28.921 29.700 0.134 0.000 0.743 490 E HN 0.663 nan 8.360 nan 0.000 0.453 491 Q N -0.785 118.964 119.800 -0.086 0.000 2.083 491 Q HA 0.150 4.492 4.340 0.004 0.000 0.198 491 Q C 2.481 178.368 176.000 -0.188 0.000 0.969 491 Q CA 1.075 56.798 55.803 -0.134 0.000 0.838 491 Q CB -0.080 28.562 28.738 -0.160 0.000 0.900 491 Q HN 0.570 nan 8.270 nan 0.000 0.436 492 L N 0.594 121.652 121.223 -0.275 0.000 2.042 492 L HA -0.159 4.183 4.340 0.004 0.000 0.210 492 L C 1.967 178.669 176.870 -0.280 0.000 1.076 492 L CA 1.747 56.401 54.840 -0.310 0.000 0.749 492 L CB -0.232 41.595 42.059 -0.385 0.000 0.893 492 L HN 0.400 nan 8.230 nan 0.000 0.432 493 T N -4.168 110.205 114.554 -0.302 0.000 3.122 493 T HA 0.243 4.595 4.350 0.004 0.000 0.250 493 T C 1.175 175.784 174.700 -0.152 0.000 1.067 493 T CA 0.274 62.214 62.100 -0.266 0.000 0.966 493 T CB 0.307 68.969 68.868 -0.343 0.000 1.002 493 T HN 0.505 nan 8.240 nan 0.000 0.542 494 G N 1.282 110.007 108.800 -0.125 0.000 2.249 494 G HA2 0.064 4.026 3.960 0.004 0.000 0.273 494 G HA3 0.064 4.026 3.960 0.004 0.000 0.273 494 G C 0.979 175.837 174.900 -0.070 0.000 1.036 494 G CA 0.084 45.135 45.100 -0.083 0.000 0.824 494 G HN 1.727 nan 8.290 nan 0.000 0.504 495 G N -1.536 107.218 108.800 -0.077 0.000 2.341 495 G HA2 0.058 4.020 3.960 0.004 0.000 0.292 495 G HA3 0.058 4.020 3.960 0.004 0.000 0.292 495 G C 0.363 175.218 174.900 -0.076 0.000 1.021 495 G CA 1.340 46.398 45.100 -0.070 0.000 0.905 495 G HN 2.167 nan 8.290 nan 0.000 0.508 496 S N -1.240 114.408 115.700 -0.086 0.000 2.519 496 S HA 0.600 5.072 4.470 0.004 0.000 0.309 496 S C 1.447 176.003 174.600 -0.073 0.000 1.100 496 S CA -0.663 57.496 58.200 -0.067 0.000 1.059 496 S CB 1.062 64.233 63.200 -0.048 0.000 1.008 496 S HN 0.338 nan 8.310 nan 0.000 0.478 497 R N 2.364 122.825 120.500 -0.065 0.000 2.148 497 R HA -0.013 4.330 4.340 0.004 0.000 0.223 497 R C 2.394 178.686 176.300 -0.013 0.000 1.088 497 R CA 1.370 57.438 56.100 -0.053 0.000 0.985 497 R CB -0.466 29.802 30.300 -0.054 0.000 0.880 497 R HN 0.872 nan 8.270 nan 0.000 0.451 498 E N 1.519 121.714 120.200 -0.008 0.000 2.051 498 E HA -0.147 4.205 4.350 0.004 0.000 0.192 498 E C 1.829 178.447 176.600 0.030 0.000 0.991 498 E CA 1.313 57.720 56.400 0.012 0.000 0.799 498 E CB -0.402 29.303 29.700 0.009 0.000 0.748 498 E HN 0.072 nan 8.360 nan 0.000 0.449 499 I N 0.285 120.862 120.570 0.011 0.000 2.179 499 I HA -0.207 3.965 4.170 0.004 0.000 0.242 499 I C 2.823 178.973 176.117 0.054 0.000 1.088 499 I CA 1.568 62.880 61.300 0.019 0.000 1.357 499 I CB -1.012 36.969 38.000 -0.031 0.000 1.051 499 I HN 0.350 nan 8.210 nan 0.000 0.409 500 M N 0.195 119.811 119.600 0.028 0.000 2.108 500 M HA -0.263 4.219 4.480 0.004 0.000 0.261 500 M C 2.810 179.240 176.300 0.216 0.000 1.066 500 M CA 2.655 58.026 55.300 0.118 0.000 1.107 500 M CB -0.619 32.015 32.600 0.057 0.000 1.356 500 M HN 0.321 nan 8.290 nan 0.000 0.406 501 R N 0.330 120.904 120.500 0.123 0.000 2.057 501 R HA -0.077 4.266 4.340 0.004 0.000 0.229 501 R C 2.104 178.484 176.300 0.132 0.000 1.136 501 R CA 2.028 58.190 56.100 0.104 0.000 0.952 501 R CB -1.914 28.415 30.300 0.049 0.000 0.848 501 R HN 0.656 nan 8.270 nan 0.000 0.430 502 S N 0.206 115.993 115.700 0.145 0.000 2.428 502 S HA -0.055 4.417 4.470 0.004 0.000 0.230 502 S C 1.650 176.417 174.600 0.279 0.000 1.014 502 S CA 0.752 59.073 58.200 0.202 0.000 0.957 502 S CB 0.042 63.331 63.200 0.148 0.000 0.784 502 S HN 0.507 nan 8.310 nan 0.000 0.499 503 R N 1.685 122.351 120.500 0.277 0.000 2.334 503 R HA 0.362 4.704 4.340 0.004 0.000 0.220 503 R C -0.190 176.390 176.300 0.468 0.000 0.917 503 R CA 0.009 56.319 56.100 0.350 0.000 1.073 503 R CB -0.627 29.902 30.300 0.382 0.000 1.056 503 R HN 0.314 nan 8.270 nan 0.000 0.506 504 S N 2.650 118.565 115.700 0.359 0.000 2.411 504 S HA 0.221 4.693 4.470 0.004 0.000 0.294 504 S C -1.770 172.910 174.600 0.133 0.000 1.115 504 S CA -1.149 57.177 58.200 0.211 0.000 1.071 504 S CB 1.677 64.954 63.200 0.128 0.000 0.967 504 S HN -0.029 nan 8.310 nan 0.000 0.488 505 P HA -0.003 nan 4.420 nan 0.000 0.228 505 P C 1.144 178.437 177.300 -0.011 0.000 1.151 505 P CA 0.334 63.456 63.100 0.036 0.000 0.770 505 P CB 0.082 31.719 31.700 -0.105 0.000 0.786 506 I N -0.512 120.023 120.570 -0.059 0.000 2.614 506 I HA -0.140 4.032 4.170 0.004 0.000 0.258 506 I C 1.064 177.110 176.117 -0.117 0.000 1.189 506 I CA 1.172 62.415 61.300 -0.095 0.000 1.462 506 I CB -0.076 37.861 38.000 -0.104 0.000 1.092 506 I HN -0.111 nan 8.210 nan 0.000 0.442 507 N N 0.246 118.846 118.700 -0.166 0.000 2.434 507 N HA -0.001 4.741 4.740 0.004 0.000 0.196 507 N C 0.072 175.209 175.510 -0.622 0.000 1.183 507 N CA 0.569 53.413 53.050 -0.344 0.000 0.849 507 N CB -0.035 38.229 38.487 -0.372 0.000 0.992 507 N HN 0.523 nan 8.380 nan 0.000 0.460 508 H N -1.082 117.963 119.070 -0.042 0.000 2.904 508 H HA 0.183 4.741 4.556 0.004 0.000 0.242 508 H C 1.361 176.659 175.328 -0.051 0.000 1.193 508 H CA -0.147 55.877 56.048 -0.041 0.000 0.946 508 H CB 0.251 29.988 29.762 -0.042 0.000 2.135 508 H HN -0.103 nan 8.280 nan 0.000 0.652 509 V N 1.354 121.269 119.914 0.002 0.000 2.407 509 V HA -0.274 3.849 4.120 0.004 0.000 0.248 509 V C 2.198 178.288 176.094 -0.007 0.000 1.055 509 V CA 2.284 64.569 62.300 -0.024 0.000 1.049 509 V CB -0.198 31.584 31.823 -0.068 0.000 0.662 509 V HN 0.547 nan 8.190 nan 0.000 0.455 510 D N 0.984 121.384 120.400 0.001 0.000 2.170 510 D HA -0.313 4.330 4.640 0.004 0.000 0.193 510 D C 2.026 178.336 176.300 0.018 0.000 1.004 510 D CA 1.729 55.734 54.000 0.009 0.000 0.860 510 D CB -0.489 40.318 40.800 0.012 0.000 0.931 510 D HN 0.438 nan 8.370 nan 0.000 0.448 511 R N 0.211 120.730 120.500 0.031 0.000 2.280 511 R HA 0.171 4.514 4.340 0.004 0.000 0.207 511 R C 0.928 177.236 176.300 0.013 0.000 1.043 511 R CA -0.108 56.005 56.100 0.020 0.000 1.006 511 R CB -0.099 30.211 30.300 0.017 0.000 0.885 511 R HN 0.268 nan 8.270 nan 0.000 0.467 512 I N 1.895 122.472 120.570 0.013 0.000 2.668 512 I HA -0.123 4.050 4.170 0.004 0.000 0.285 512 I C 1.130 177.263 176.117 0.028 0.000 1.168 512 I CA 0.613 61.922 61.300 0.016 0.000 1.424 512 I CB 0.613 38.618 38.000 0.008 0.000 1.377 512 I HN -0.037 nan 8.210 nan 0.000 0.560 513 K N 4.298 124.719 120.400 0.036 0.000 2.464 513 K HA 0.250 4.572 4.320 0.004 0.000 0.206 513 K C -0.017 176.618 176.600 0.059 0.000 1.186 513 K CA 0.293 56.604 56.287 0.040 0.000 0.990 513 K CB 0.521 33.038 32.500 0.028 0.000 1.003 513 K HN 0.536 nan 8.250 nan 0.000 0.562 514 E N 0.637 120.883 120.200 0.078 0.000 2.235 514 E HA 0.344 4.696 4.350 0.004 0.000 0.265 514 E C -2.680 174.008 176.600 0.146 0.000 0.940 514 E CA -2.280 54.185 56.400 0.109 0.000 0.819 514 E CB 0.996 30.771 29.700 0.125 0.000 1.206 514 E HN -0.212 nan 8.360 nan 0.000 0.409 515 P HA 0.011 nan 4.420 nan 0.000 0.265 515 P C -1.225 176.288 177.300 0.356 0.000 1.193 515 P CA -0.143 63.123 63.100 0.277 0.000 0.765 515 P CB 0.335 32.213 31.700 0.296 0.000 0.823 516 L N 3.456 124.831 121.223 0.254 0.000 2.333 516 L HA 0.699 5.041 4.340 0.004 0.000 0.280 516 L C -0.696 176.073 176.870 -0.169 0.000 1.004 516 L CA -0.860 54.024 54.840 0.073 0.000 0.820 516 L CB 1.229 43.308 42.059 0.034 0.000 1.247 516 L HN 0.379 nan 8.230 nan 0.000 0.416 517 A N 6.335 128.767 122.820 -0.647 0.000 2.276 517 A HA 0.716 5.038 4.320 0.004 0.000 0.316 517 A C -1.003 176.366 177.584 -0.359 0.000 1.229 517 A CA -0.488 51.066 52.037 -0.806 0.000 0.851 517 A CB 0.290 18.326 19.000 -1.606 0.000 1.165 517 A HN 0.724 nan 8.150 nan 0.000 0.513 518 L N 3.425 124.542 121.223 -0.177 0.000 2.296 518 L HA 0.553 4.896 4.340 0.004 0.000 0.286 518 L C -0.715 176.151 176.870 -0.007 0.000 1.023 518 L CA -0.219 54.562 54.840 -0.097 0.000 0.812 518 L CB 1.449 43.465 42.059 -0.072 0.000 1.223 518 L HN 0.578 nan 8.230 nan 0.000 0.421 519 I N 2.479 123.058 120.570 0.016 0.000 2.439 519 I HA 0.377 4.549 4.170 0.004 0.000 0.285 519 I C -1.011 175.204 176.117 0.164 0.000 1.021 519 I CA -0.511 60.855 61.300 0.109 0.000 1.091 519 I CB 1.702 39.760 38.000 0.095 0.000 1.242 519 I HN 0.580 nan 8.210 nan 0.000 0.439 520 H N 6.888 125.981 119.070 0.038 0.000 2.894 520 H HA 0.488 5.046 4.556 0.004 0.000 0.367 520 H C -2.730 172.611 175.328 0.022 0.000 1.144 520 H CA -1.305 54.752 56.048 0.015 0.000 1.180 520 H CB 3.042 32.792 29.762 -0.021 0.000 1.758 520 H HN 0.245 nan 8.280 nan 0.000 0.541 521 P HA 0.002 nan 4.420 nan 0.000 0.272 521 P C 0.010 177.325 177.300 0.025 0.000 1.223 521 P CA -0.100 62.950 63.100 -0.084 0.000 0.784 521 P CB 1.338 32.941 31.700 -0.160 0.000 0.923 522 Q N 1.686 121.503 119.800 0.028 0.000 2.339 522 Q HA -0.022 4.321 4.340 0.004 0.000 0.205 522 Q C -0.034 175.979 176.000 0.022 0.000 0.925 522 Q CA 1.032 56.861 55.803 0.044 0.000 0.898 522 Q CB 0.182 28.939 28.738 0.031 0.000 1.013 522 Q HN 0.539 nan 8.270 nan 0.000 0.504 523 N N 0.297 118.995 118.700 -0.002 0.000 2.636 523 N HA 0.106 4.849 4.740 0.004 0.000 0.287 523 N C -1.800 173.691 175.510 -0.032 0.000 1.817 523 N CA -0.384 52.658 53.050 -0.014 0.000 0.842 523 N CB 0.191 38.672 38.487 -0.010 0.000 1.353 523 N HN -0.121 nan 8.380 nan 0.000 0.500 524 D N -0.479 119.891 120.400 -0.050 0.000 2.481 524 D HA 0.360 5.002 4.640 0.004 0.000 0.246 524 D C 0.225 176.468 176.300 -0.096 0.000 1.109 524 D CA -0.401 53.554 54.000 -0.076 0.000 0.845 524 D CB 1.903 42.641 40.800 -0.102 0.000 1.160 524 D HN 0.068 nan 8.370 nan 0.000 0.534 525 S N 2.450 118.090 115.700 -0.100 0.000 2.481 525 S HA -0.067 4.405 4.470 0.004 0.000 0.231 525 S C 2.108 176.570 174.600 -0.230 0.000 0.996 525 S CA 1.084 59.206 58.200 -0.130 0.000 0.942 525 S CB 0.050 63.190 63.200 -0.101 0.000 0.768 525 S HN 0.631 nan 8.310 nan 0.000 0.520 526 R N 1.080 121.434 120.500 -0.243 0.000 2.275 526 R HA 0.150 4.492 4.340 0.004 0.000 0.199 526 R C 1.374 177.448 176.300 -0.376 0.000 0.989 526 R CA 1.319 57.185 56.100 -0.391 0.000 1.016 526 R CB -0.849 29.320 30.300 -0.219 0.000 0.918 526 R HN 0.382 nan 8.270 nan 0.000 0.473 527 T N -0.257 114.154 114.554 -0.237 0.000 3.686 527 T HA 0.304 4.656 4.350 0.004 0.000 0.248 527 T C -3.231 171.450 174.700 -0.031 0.000 1.090 527 T CA -1.554 60.450 62.100 -0.161 0.000 1.659 527 T CB 1.182 69.916 68.868 -0.223 0.000 0.780 527 T HN 0.152 nan 8.240 nan 0.000 0.632 528 P HA 0.151 nan 4.420 nan 0.000 0.269 528 P C 0.839 178.199 177.300 0.100 0.000 1.215 528 P CA -0.575 62.528 63.100 0.005 0.000 0.780 528 P CB 1.083 32.752 31.700 -0.051 0.000 0.898 529 L N 2.475 123.738 121.223 0.067 0.000 2.209 529 L HA 0.015 4.358 4.340 0.004 0.000 0.207 529 L C 2.500 179.324 176.870 -0.077 0.000 1.094 529 L CA 1.655 56.512 54.840 0.028 0.000 0.790 529 L CB -0.876 41.214 42.059 0.053 0.000 0.932 529 L HN 0.295 nan 8.230 nan 0.000 0.447 530 K N -0.040 120.329 120.400 -0.053 0.000 2.020 530 K HA -0.163 4.159 4.320 0.004 0.000 0.212 530 K C -0.653 175.892 176.600 -0.092 0.000 1.050 530 K CA 2.133 58.383 56.287 -0.062 0.000 0.929 530 K CB -0.996 31.478 32.500 -0.043 0.000 0.714 530 K HN 0.292 nan 8.250 nan 0.000 0.443 531 P HA -0.118 nan 4.420 nan 0.000 0.221 531 P C 1.136 178.329 177.300 -0.179 0.000 1.150 531 P CA 0.781 63.808 63.100 -0.122 0.000 0.800 531 P CB 0.082 31.714 31.700 -0.114 0.000 0.787 532 L N -1.141 119.934 121.223 -0.247 0.000 2.156 532 L HA -0.056 4.286 4.340 0.004 0.000 0.208 532 L C 2.181 178.901 176.870 -0.249 0.000 1.095 532 L CA 1.401 56.040 54.840 -0.335 0.000 0.770 532 L CB -0.931 40.759 42.059 -0.615 0.000 0.914 532 L HN -0.143 nan 8.230 nan 0.000 0.439 533 L N -1.206 119.908 121.223 -0.181 0.000 2.056 533 L HA -0.195 4.147 4.340 0.004 0.000 0.207 533 L C 2.718 179.506 176.870 -0.137 0.000 1.078 533 L CA 1.103 55.863 54.840 -0.134 0.000 0.749 533 L CB -0.510 41.496 42.059 -0.088 0.000 0.901 533 L HN 0.201 nan 8.230 nan 0.000 0.433 534 R N -0.236 120.186 120.500 -0.130 0.000 2.096 534 R HA -0.231 4.111 4.340 0.004 0.000 0.240 534 R C 2.241 178.445 176.300 -0.160 0.000 1.139 534 R CA 1.606 57.633 56.100 -0.122 0.000 0.952 534 R CB -0.608 29.630 30.300 -0.104 0.000 0.854 534 R HN 0.163 nan 8.270 nan 0.000 0.436 535 L N 0.880 121.985 121.223 -0.197 0.000 1.989 535 L HA -0.206 4.136 4.340 0.004 0.000 0.211 535 L C 2.194 178.862 176.870 -0.336 0.000 1.071 535 L CA 1.820 56.514 54.840 -0.243 0.000 0.749 535 L CB -0.373 41.530 42.059 -0.259 0.000 0.890 535 L HN 0.203 nan 8.230 nan 0.000 0.431 536 M N -1.065 118.312 119.600 -0.372 0.000 2.106 536 M HA -0.192 4.290 4.480 0.004 0.000 0.259 536 M C 2.123 178.214 176.300 -0.349 0.000 1.068 536 M CA 1.890 56.877 55.300 -0.522 0.000 1.100 536 M CB -1.066 31.367 32.600 -0.279 0.000 1.351 536 M HN 0.511 nan 8.290 nan 0.000 0.404 537 G N -0.224 108.461 108.800 -0.192 0.000 2.421 537 G HA2 -0.192 3.770 3.960 0.004 0.000 0.216 537 G HA3 -0.192 3.770 3.960 0.004 0.000 0.216 537 G C 1.426 176.257 174.900 -0.114 0.000 1.171 537 G CA 0.664 45.697 45.100 -0.110 0.000 0.775 537 G HN 0.381 nan 8.290 nan 0.000 0.543 538 E N 0.415 120.527 120.200 -0.146 0.000 2.072 538 E HA -0.040 4.312 4.350 0.004 0.000 0.191 538 E C 2.744 179.263 176.600 -0.135 0.000 0.985 538 E CA 0.428 56.754 56.400 -0.124 0.000 0.801 538 E CB -0.332 29.292 29.700 -0.127 0.000 0.750 538 E HN 0.426 nan 8.360 nan 0.000 0.452 539 L N 0.498 121.576 121.223 -0.241 0.000 1.990 539 L HA -0.242 4.100 4.340 0.004 0.000 0.213 539 L C 2.705 179.543 176.870 -0.053 0.000 1.072 539 L CA 1.023 55.716 54.840 -0.245 0.000 0.755 539 L CB -0.559 41.093 42.059 -0.679 0.000 0.889 539 L HN 0.144 nan 8.230 nan 0.000 0.432 540 L N -0.063 121.149 121.223 -0.017 0.000 2.017 540 L HA -0.140 4.202 4.340 0.004 0.000 0.208 540 L C 2.663 179.572 176.870 0.064 0.000 1.073 540 L CA 1.952 56.880 54.840 0.145 0.000 0.745 540 L CB -0.646 41.511 42.059 0.163 0.000 0.894 540 L HN 0.158 nan 8.230 nan 0.000 0.432 541 A N -0.159 122.670 122.820 0.014 0.000 1.917 541 A HA -0.235 4.087 4.320 0.004 0.000 0.219 541 A C 2.231 179.820 177.584 0.008 0.000 1.182 541 A CA 2.023 54.063 52.037 0.005 0.000 0.633 541 A CB -0.610 18.381 19.000 -0.015 0.000 0.819 541 A HN 0.573 nan 8.150 nan 0.000 0.448 542 R N -1.205 119.298 120.500 0.004 0.000 2.356 542 R HA 0.285 4.627 4.340 0.004 0.000 0.234 542 R C 1.040 177.357 176.300 0.028 0.000 0.929 542 R CA 0.419 56.524 56.100 0.008 0.000 1.084 542 R CB -0.170 30.126 30.300 -0.007 0.000 1.105 542 R HN 0.645 nan 8.270 nan 0.000 0.515 543 G N 1.939 110.767 108.800 0.048 0.000 2.225 543 G HA2 -0.282 3.680 3.960 0.004 0.000 0.267 543 G HA3 -0.282 3.680 3.960 0.004 0.000 0.267 543 G C -0.235 174.714 174.900 0.080 0.000 1.024 543 G CA 0.113 45.249 45.100 0.060 0.000 0.784 543 G HN 0.097 nan 8.290 nan 0.000 0.507 544 K N 0.568 121.034 120.400 0.111 0.000 2.144 544 K HA 0.451 4.774 4.320 0.004 0.000 0.270 544 K C 0.575 177.308 176.600 0.221 0.000 1.005 544 K CA -0.269 56.098 56.287 0.133 0.000 0.932 544 K CB 0.858 33.416 32.500 0.097 0.000 1.021 544 K HN 0.107 nan 8.250 nan 0.000 0.462 545 T N 4.138 118.795 114.554 0.172 0.000 2.779 545 T HA 0.383 4.735 4.350 0.004 0.000 0.296 545 T C -0.115 174.743 174.700 0.263 0.000 0.938 545 T CA -0.101 62.093 62.100 0.156 0.000 1.119 545 T CB -0.493 68.444 68.868 0.114 0.000 0.891 545 T HN 0.443 nan 8.240 nan 0.000 0.526 546 F N 0.637 120.604 119.950 0.028 0.000 2.631 546 F HA 0.763 5.293 4.527 0.004 0.000 0.308 546 F C -0.743 175.045 175.800 -0.021 0.000 1.097 546 F CA -1.377 56.622 58.000 -0.002 0.000 0.952 546 F CB 1.573 40.541 39.000 -0.053 0.000 1.307 546 F HN 0.403 nan 8.300 nan 0.000 0.450 547 E N 1.746 121.924 120.200 -0.037 0.000 2.207 547 E HA 0.810 5.162 4.350 0.004 0.000 0.270 547 E C -1.625 174.922 176.600 -0.088 0.000 0.927 547 E CA -1.257 55.045 56.400 -0.163 0.000 0.799 547 E CB 2.030 31.680 29.700 -0.082 0.000 1.172 547 E HN 1.066 nan 8.360 nan 0.000 0.404 548 A N 4.107 126.791 122.820 -0.227 0.000 2.427 548 A HA 0.468 4.790 4.320 0.004 0.000 0.298 548 A C -1.639 175.693 177.584 -0.420 0.000 1.036 548 A CA -0.686 51.262 52.037 -0.148 0.000 0.701 548 A CB 1.093 20.133 19.000 0.067 0.000 1.250 548 A HN 0.704 nan 8.150 nan 0.000 0.412 549 H N 2.819 121.902 119.070 0.021 0.000 2.860 549 H HA 0.381 4.940 4.556 0.004 0.000 0.312 549 H C -1.183 174.173 175.328 0.047 0.000 0.995 549 H CA -0.198 55.868 56.048 0.030 0.000 1.311 549 H CB 1.274 31.050 29.762 0.024 0.000 1.478 549 H HN 0.531 nan 8.280 nan 0.000 0.508 550 I N 5.127 125.774 120.570 0.127 0.000 2.312 550 I HA 0.229 4.401 4.170 0.004 0.000 0.290 550 I C -0.352 175.820 176.117 0.091 0.000 1.008 550 I CA -0.441 60.924 61.300 0.108 0.000 1.226 550 I CB 0.799 38.841 38.000 0.071 0.000 1.371 550 I HN 0.293 nan 8.210 nan 0.000 0.468 551 I N 8.482 129.100 120.570 0.080 0.000 2.608 551 I HA 0.466 4.639 4.170 0.004 0.000 0.295 551 I C -2.510 173.625 176.117 0.030 0.000 1.049 551 I CA -2.041 59.291 61.300 0.052 0.000 1.063 551 I CB 1.922 39.949 38.000 0.045 0.000 1.248 551 I HN 0.282 nan 8.210 nan 0.000 0.424 552 P HA 0.367 nan 4.420 nan 0.000 0.284 552 P C 0.019 177.319 177.300 -0.001 0.000 1.253 552 P CA 0.294 63.398 63.100 0.007 0.000 0.800 552 P CB 0.491 32.196 31.700 0.007 0.000 0.961 553 D N 0.160 120.555 120.400 -0.010 0.000 2.981 553 D HA -0.159 4.483 4.640 0.004 0.000 0.223 553 D C 0.608 176.898 176.300 -0.018 0.000 1.151 553 D CA 0.848 54.840 54.000 -0.014 0.000 0.827 553 D CB -2.069 38.724 40.800 -0.011 0.000 1.101 553 D HN 0.607 nan 8.370 nan 0.000 0.426 554 A N -0.824 121.983 122.820 -0.021 0.000 2.640 554 A HA 0.690 5.012 4.320 0.004 0.000 0.282 554 A C 2.266 179.827 177.584 -0.038 0.000 1.357 554 A CA 1.524 53.548 52.037 -0.021 0.000 0.946 554 A CB -0.292 18.704 19.000 -0.006 0.000 1.065 554 A HN 1.459 nan 8.150 nan 0.000 0.541 555 G N -1.207 107.568 108.800 -0.041 0.000 2.486 555 G HA2 0.335 4.297 3.960 0.004 0.000 0.210 555 G HA3 0.335 4.297 3.960 0.004 0.000 0.210 555 G C 0.837 175.715 174.900 -0.036 0.000 1.168 555 G CA 0.814 45.884 45.100 -0.050 0.000 0.820 555 G HN 0.880 nan 8.290 nan 0.000 0.544 556 H N -0.093 118.961 119.070 -0.026 0.000 2.703 556 H HA 0.725 5.283 4.556 0.004 0.000 0.377 556 H C 1.029 176.346 175.328 -0.019 0.000 1.392 556 H CA -0.215 55.823 56.048 -0.017 0.000 1.458 556 H CB -0.058 29.698 29.762 -0.010 0.000 1.529 556 H HN 0.611 nan 8.280 nan 0.000 0.619 557 A N -0.083 122.731 122.820 -0.011 0.000 2.366 557 A HA 0.431 4.753 4.320 0.004 0.000 0.250 557 A C 0.931 178.510 177.584 -0.008 0.000 1.099 557 A CA 0.446 52.481 52.037 -0.004 0.000 0.794 557 A CB -0.172 18.831 19.000 0.005 0.000 1.056 557 A HN 1.545 nan 8.150 nan 0.000 0.499 558 I N 1.534 122.101 120.570 -0.005 0.000 2.322 558 I HA 0.217 4.389 4.170 0.004 0.000 0.292 558 I C 0.561 176.647 176.117 -0.052 0.000 1.060 558 I CA -0.020 61.245 61.300 -0.059 0.000 1.309 558 I CB -1.078 36.825 38.000 -0.161 0.000 1.415 558 I HN 0.878 nan 8.210 nan 0.000 0.492 559 N N 2.972 121.650 118.700 -0.037 0.000 2.742 559 N HA 0.093 4.835 4.740 0.004 0.000 0.233 559 N C 0.628 176.125 175.510 -0.023 0.000 1.033 559 N CA 0.583 53.623 53.050 -0.016 0.000 0.993 559 N CB 0.274 38.767 38.487 0.009 0.000 1.544 559 N HN 0.783 nan 8.380 nan 0.000 0.459 560 T N -1.179 113.358 114.554 -0.027 0.000 2.847 560 T HA 0.174 4.526 4.350 0.004 0.000 0.279 560 T C 1.106 175.777 174.700 -0.048 0.000 0.984 560 T CA -0.495 61.588 62.100 -0.029 0.000 0.988 560 T CB 1.333 70.188 68.868 -0.022 0.000 1.040 560 T HN -0.103 nan 8.240 nan 0.000 0.528 561 M N 1.469 121.043 119.600 -0.043 0.000 2.117 561 M HA 0.063 4.545 4.480 0.004 0.000 0.262 561 M C 2.548 178.812 176.300 -0.061 0.000 1.065 561 M CA 2.467 57.735 55.300 -0.055 0.000 1.114 561 M CB -1.626 30.951 32.600 -0.038 0.000 1.361 561 M HN 0.978 nan 8.290 nan 0.000 0.408 562 E N 0.259 120.432 120.200 -0.045 0.000 2.070 562 E HA -0.266 4.086 4.350 0.004 0.000 0.197 562 E C 1.714 178.281 176.600 -0.055 0.000 1.004 562 E CA 2.061 58.436 56.400 -0.042 0.000 0.805 562 E CB -1.549 28.134 29.700 -0.028 0.000 0.744 562 E HN 0.739 nan 8.360 nan 0.000 0.451 563 D N 0.016 120.381 120.400 -0.058 0.000 2.104 563 D HA -0.078 4.564 4.640 0.004 0.000 0.194 563 D C 2.323 178.562 176.300 -0.103 0.000 0.994 563 D CA 1.760 55.720 54.000 -0.067 0.000 0.830 563 D CB -0.511 40.251 40.800 -0.062 0.000 0.959 563 D HN 0.513 nan 8.370 nan 0.000 0.452 564 A N 1.107 123.847 122.820 -0.133 0.000 1.883 564 A HA -0.172 4.151 4.320 0.004 0.000 0.217 564 A C 2.501 179.976 177.584 -0.182 0.000 1.186 564 A CA 2.213 54.134 52.037 -0.194 0.000 0.624 564 A CB -0.957 17.927 19.000 -0.194 0.000 0.822 564 A HN 0.245 nan 8.150 nan 0.000 0.444 565 V N -1.411 118.416 119.914 -0.144 0.000 2.626 565 V HA -0.018 4.104 4.120 0.004 0.000 0.252 565 V C 2.422 178.437 176.094 -0.133 0.000 1.067 565 V CA 2.786 64.995 62.300 -0.153 0.000 1.081 565 V CB -1.119 30.642 31.823 -0.102 0.000 0.686 565 V HN 0.627 nan 8.190 nan 0.000 0.468 566 K N -0.024 120.322 120.400 -0.091 0.000 2.103 566 K HA 0.120 4.442 4.320 0.004 0.000 0.204 566 K C 1.848 178.420 176.600 -0.047 0.000 1.052 566 K CA 1.918 58.170 56.287 -0.058 0.000 0.945 566 K CB -0.551 31.930 32.500 -0.032 0.000 0.722 566 K HN 0.557 nan 8.250 nan 0.000 0.443 567 I N -1.241 119.301 120.570 -0.048 0.000 3.883 567 I HA 0.203 4.375 4.170 0.004 0.000 0.305 567 I C 1.831 177.992 176.117 0.074 0.000 1.247 567 I CA -0.057 61.263 61.300 0.034 0.000 1.350 567 I CB 1.151 39.159 38.000 0.014 0.000 1.194 567 I HN 0.274 nan 8.210 nan 0.000 0.441 568 L N -0.901 120.273 121.223 -0.082 0.000 2.349 568 L HA 0.196 4.538 4.340 0.004 0.000 0.200 568 L C 1.945 178.699 176.870 -0.193 0.000 1.064 568 L CA 1.413 56.180 54.840 -0.122 0.000 0.821 568 L CB -0.737 41.089 42.059 -0.388 0.000 1.027 568 L HN 0.022 nan 8.230 nan 0.000 0.476 569 L N 0.782 121.814 121.223 -0.318 0.000 2.081 569 L HA -0.110 4.232 4.340 0.004 0.000 0.212 569 L C -0.512 175.989 176.870 -0.616 0.000 1.080 569 L CA 2.222 56.710 54.840 -0.586 0.000 0.754 569 L CB -1.916 39.746 42.059 -0.662 0.000 0.893 569 L HN 0.207 nan 8.230 nan 0.000 0.433 570 P HA -0.115 nan 4.420 nan 0.000 0.217 570 P C 1.560 178.824 177.300 -0.059 0.000 1.150 570 P CA 1.707 64.623 63.100 -0.307 0.000 0.832 570 P CB -0.048 31.301 31.700 -0.586 0.000 0.787 571 A N -0.401 122.395 122.820 -0.040 0.000 1.858 571 A HA -0.173 4.149 4.320 0.004 0.000 0.216 571 A C 2.319 179.936 177.584 0.055 0.000 1.190 571 A CA 2.103 54.166 52.037 0.043 0.000 0.617 571 A CB -1.763 17.286 19.000 0.082 0.000 0.827 571 A HN 0.020 nan 8.150 nan 0.000 0.443 572 V N -0.752 119.143 119.914 -0.032 0.000 2.407 572 V HA -0.227 3.895 4.120 0.004 0.000 0.248 572 V C 2.384 178.588 176.094 0.183 0.000 1.055 572 V CA 1.859 64.153 62.300 -0.009 0.000 1.049 572 V CB -1.047 30.751 31.823 -0.042 0.000 0.662 572 V HN 0.502 nan 8.190 nan 0.000 0.455 573 F N -0.335 119.641 119.950 0.044 0.000 2.113 573 F HA -0.086 4.442 4.527 0.003 0.000 0.297 573 F C 2.247 178.094 175.800 0.078 0.000 1.103 573 F CA 0.954 58.988 58.000 0.057 0.000 1.248 573 F CB -1.355 37.675 39.000 0.051 0.000 0.999 573 F HN 0.234 nan 8.300 nan 0.000 0.475 574 F N 0.619 120.676 119.950 0.179 0.000 2.126 574 F HA -0.213 4.317 4.527 0.004 0.000 0.299 574 F C 2.044 177.844 175.800 -0.001 0.000 1.096 574 F CA 1.627 59.678 58.000 0.085 0.000 1.255 574 F CB -0.563 38.476 39.000 0.066 0.000 0.997 574 F HN -0.114 nan 8.300 nan 0.000 0.479 575 L N -0.279 120.889 121.223 -0.092 0.000 2.072 575 L HA -0.088 4.254 4.340 0.004 0.000 0.205 575 L C 2.800 179.601 176.870 -0.115 0.000 1.079 575 L CA 0.973 55.583 54.840 -0.383 0.000 0.752 575 L CB -1.112 40.568 42.059 -0.631 0.000 0.906 575 L HN 0.220 nan 8.230 nan 0.000 0.436 576 A N -0.651 122.246 122.820 0.128 0.000 1.972 576 A HA -0.199 4.123 4.320 0.004 0.000 0.219 576 A C 2.357 179.959 177.584 0.031 0.000 1.169 576 A CA 2.330 54.488 52.037 0.201 0.000 0.635 576 A CB -0.783 18.347 19.000 0.218 0.000 0.810 576 A HN 0.357 nan 8.150 nan 0.000 0.446 577 T N -0.438 114.091 114.554 -0.042 0.000 2.857 577 T HA -0.082 4.270 4.350 0.004 0.000 0.266 577 T C 2.044 176.668 174.700 -0.127 0.000 1.048 577 T CA 1.295 63.343 62.100 -0.086 0.000 1.139 577 T CB -0.162 68.655 68.868 -0.085 0.000 0.874 577 T HN 0.436 nan 8.240 nan 0.000 0.455 578 Q N 0.839 120.497 119.800 -0.237 0.000 2.224 578 Q HA 0.019 4.361 4.340 0.004 0.000 0.203 578 Q C 2.279 178.297 176.000 0.031 0.000 0.970 578 Q CA 0.889 56.591 55.803 -0.169 0.000 0.865 578 Q CB -0.305 28.245 28.738 -0.313 0.000 0.922 578 Q HN 0.462 nan 8.270 nan 0.000 0.445 579 R N 1.766 122.288 120.500 0.036 0.000 2.193 579 R HA -0.114 4.228 4.340 0.004 0.000 0.229 579 R C 0.536 176.873 176.300 0.061 0.000 1.110 579 R CA 1.023 57.197 56.100 0.125 0.000 0.988 579 R CB 0.167 30.492 30.300 0.041 0.000 0.871 579 R HN 0.289 nan 8.270 nan 0.000 0.458 580 E N 1.361 121.570 120.200 0.016 0.000 2.364 580 E HA 0.077 4.429 4.350 0.004 0.000 0.270 580 E C -0.466 176.137 176.600 0.005 0.000 1.398 580 E CA -0.520 55.880 56.400 0.000 0.000 1.721 580 E CB 0.066 29.755 29.700 -0.019 0.000 1.525 580 E HN 0.331 nan 8.360 nan 0.000 0.446 581 R N 0.000 120.514 120.500 0.023 0.000 2.786 581 R HA 0.000 4.342 4.340 0.004 0.000 0.208 581 R CA 0.000 56.111 56.100 0.018 0.000 0.921 581 R CB 0.000 30.310 30.300 0.016 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535