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 3e1f_1_4 DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETEGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.122 176.300 -0.296 0.000 0.893 13 R CA 0.000 55.987 56.100 -0.188 0.000 0.921 13 R CB 0.000 30.196 30.300 -0.173 0.000 0.687 14 R N 1.573 121.796 120.500 -0.462 0.000 2.976 14 R HA -0.093 4.246 4.340 -0.001 0.000 0.354 14 R C -0.126 175.717 176.300 -0.762 0.000 0.794 14 R CA 0.432 55.926 56.100 -1.011 0.000 1.085 14 R CB 0.196 29.846 30.300 -1.084 0.000 0.896 14 R HN 0.381 nan 8.270 nan 0.000 0.393 15 D N 2.307 122.352 120.400 -0.592 0.000 2.333 15 D HA -0.069 4.570 4.640 -0.001 0.000 0.208 15 D C 1.305 177.511 176.300 -0.156 0.000 0.984 15 D CA 0.665 54.431 54.000 -0.389 0.000 0.873 15 D CB 0.129 40.538 40.800 -0.652 0.000 0.935 15 D HN 0.729 nan 8.370 nan 0.000 0.521 16 W N 1.553 122.847 121.300 -0.011 0.000 3.180 16 W HA 0.228 4.888 4.660 -0.001 0.000 0.254 16 W C 0.543 177.144 176.519 0.137 0.000 1.318 16 W CA -0.164 57.284 57.345 0.170 0.000 1.608 16 W CB -0.132 29.462 29.460 0.225 0.000 1.124 16 W HN -0.214 nan 8.180 nan 0.000 0.694 17 E N 1.046 121.116 120.200 -0.217 0.000 2.995 17 E HA 0.044 4.394 4.350 -0.001 0.000 0.203 17 E C -0.776 175.676 176.600 -0.246 0.000 0.980 17 E CA -0.213 56.085 56.400 -0.171 0.000 1.172 17 E CB -0.142 29.430 29.700 -0.213 0.000 1.088 17 E HN 0.071 nan 8.360 nan 0.000 0.463 18 N N 1.236 119.826 118.700 -0.183 0.000 2.581 18 N HA 0.123 4.862 4.740 -0.001 0.000 0.279 18 N C -2.242 173.133 175.510 -0.226 0.000 1.124 18 N CA -1.910 51.001 53.050 -0.233 0.000 0.833 18 N CB 1.426 39.789 38.487 -0.207 0.000 1.338 18 N HN -0.198 nan 8.380 nan 0.000 0.533 19 P HA 0.032 nan 4.420 nan 0.000 0.236 19 P C 0.942 178.002 177.300 -0.401 0.000 1.172 19 P CA 0.594 63.363 63.100 -0.552 0.000 0.759 19 P CB 0.146 31.000 31.700 -1.410 0.000 0.843 20 G N -0.243 108.375 108.800 -0.304 0.000 2.551 20 G HA2 0.048 4.007 3.960 -0.001 0.000 0.216 20 G HA3 0.048 4.007 3.960 -0.001 0.000 0.216 20 G C 0.407 175.236 174.900 -0.118 0.000 1.137 20 G CA 0.150 45.124 45.100 -0.211 0.000 0.798 20 G HN 0.206 nan 8.290 nan 0.000 0.536 21 V N 1.836 121.702 119.914 -0.080 0.000 2.313 21 V HA 0.330 4.449 4.120 -0.001 0.000 0.278 21 V C 0.840 176.998 176.094 0.107 0.000 1.017 21 V CA 0.197 62.507 62.300 0.017 0.000 0.823 21 V CB 1.257 33.088 31.823 0.013 0.000 1.010 21 V HN 0.339 nan 8.190 nan 0.000 0.443 22 T N 0.716 115.318 114.554 0.080 0.000 3.010 22 T HA 0.371 4.721 4.350 -0.001 0.000 0.257 22 T C 0.219 174.922 174.700 0.006 0.000 1.020 22 T CA -0.009 62.125 62.100 0.057 0.000 0.938 22 T CB 0.348 69.213 68.868 -0.006 0.000 1.049 22 T HN 0.680 nan 8.240 nan 0.000 0.522 23 Q N 0.351 120.209 119.800 0.097 0.000 2.776 23 Q HA 0.670 5.009 4.340 -0.001 0.000 0.289 23 Q C -2.339 173.781 176.000 0.199 0.000 0.912 23 Q CA -1.040 54.805 55.803 0.070 0.000 0.789 23 Q CB 0.787 29.506 28.738 -0.032 0.000 1.498 23 Q HN 0.212 nan 8.270 nan 0.000 0.408 24 L N 1.953 123.318 121.223 0.235 0.000 2.596 24 L HA 0.555 4.895 4.340 -0.001 0.000 0.265 24 L C -0.743 176.257 176.870 0.216 0.000 0.962 24 L CA -0.672 54.329 54.840 0.270 0.000 0.891 24 L CB 1.718 44.055 42.059 0.464 0.000 1.248 24 L HN 0.854 nan 8.230 nan 0.000 0.410 25 N N 0.911 119.698 118.700 0.145 0.000 2.850 25 N HA -0.190 4.549 4.740 -0.001 0.000 0.249 25 N C 0.238 175.776 175.510 0.046 0.000 1.060 25 N CA 0.782 53.899 53.050 0.112 0.000 0.825 25 N CB -0.637 37.900 38.487 0.083 0.000 1.132 25 N HN 0.653 nan 8.380 nan 0.000 0.564 26 R N 1.155 121.586 120.500 -0.114 0.000 2.390 26 R HA 0.380 4.720 4.340 -0.001 0.000 0.291 26 R C 0.629 176.735 176.300 -0.324 0.000 1.070 26 R CA -0.324 55.437 56.100 -0.564 0.000 1.014 26 R CB 0.548 30.545 30.300 -0.505 0.000 1.007 26 R HN 0.114 nan 8.270 nan 0.000 0.466 27 L N 2.815 123.829 121.223 -0.349 0.000 2.475 27 L HA 0.304 4.643 4.340 -0.001 0.000 0.253 27 L C 0.690 177.493 176.870 -0.113 0.000 1.198 27 L CA -0.640 54.111 54.840 -0.147 0.000 0.814 27 L CB 0.570 42.583 42.059 -0.076 0.000 1.134 27 L HN 0.740 nan 8.230 nan 0.000 0.478 28 A N 1.004 123.810 122.820 -0.023 0.000 2.445 28 A HA 0.496 4.815 4.320 -0.001 0.000 0.242 28 A C 0.352 177.925 177.584 -0.019 0.000 1.075 28 A CA -0.029 52.004 52.037 -0.007 0.000 0.777 28 A CB 0.202 19.229 19.000 0.045 0.000 1.013 28 A HN 0.798 nan 8.150 nan 0.000 0.493 29 A N 1.506 124.265 122.820 -0.102 0.000 2.386 29 A HA 0.645 4.965 4.320 -0.001 0.000 0.246 29 A C 0.163 177.626 177.584 -0.202 0.000 1.089 29 A CA 0.692 52.582 52.037 -0.245 0.000 0.790 29 A CB -0.127 18.760 19.000 -0.189 0.000 1.042 29 A HN 2.110 nan 8.150 nan 0.000 0.497 30 H N -3.143 115.788 119.070 -0.232 0.000 2.951 30 H HA 0.540 5.095 4.556 -0.001 0.000 0.292 30 H C -3.475 171.549 175.328 -0.507 0.000 1.412 30 H CA -1.677 54.161 56.048 -0.350 0.000 1.206 30 H CB -0.298 29.203 29.762 -0.435 0.000 1.862 30 H HN 0.379 nan 8.280 nan 0.000 0.502 31 P HA 0.148 nan 4.420 nan 0.000 0.270 31 P C -2.522 174.552 177.300 -0.376 0.000 1.227 31 P CA -0.925 61.942 63.100 -0.388 0.000 0.788 31 P CB -0.190 31.148 31.700 -0.603 0.000 0.926 32 P HA 0.036 nan 4.420 nan 0.000 0.263 32 P C -0.827 176.590 177.300 0.195 0.000 1.195 32 P CA 1.004 64.094 63.100 -0.017 0.000 0.762 32 P CB -0.047 31.695 31.700 0.069 0.000 0.799 33 F N 1.999 122.025 119.950 0.127 0.000 2.541 33 F HA 0.658 5.185 4.527 -0.001 0.000 0.331 33 F C 1.066 176.780 175.800 -0.144 0.000 1.057 33 F CA -1.255 56.759 58.000 0.023 0.000 0.975 33 F CB 1.089 40.069 39.000 -0.033 0.000 1.246 33 F HN 0.295 nan 8.300 nan 0.000 0.484 34 A N -0.232 122.507 122.820 -0.135 0.000 2.644 34 A HA 0.318 4.638 4.320 -0.001 0.000 0.193 34 A C 0.574 177.849 177.584 -0.515 0.000 1.464 34 A CA 0.610 52.335 52.037 -0.520 0.000 1.095 34 A CB -0.449 17.774 19.000 -1.295 0.000 1.405 34 A HN 0.928 nan 8.150 nan 0.000 0.558 35 S N 0.473 115.973 115.700 -0.332 0.000 3.484 35 S HA -0.151 4.319 4.470 -0.001 0.000 0.384 35 S C -0.050 174.457 174.600 -0.155 0.000 0.932 35 S CA 0.482 58.551 58.200 -0.220 0.000 1.293 35 S CB -1.605 61.480 63.200 -0.191 0.000 0.919 35 S HN 0.460 nan 8.310 nan 0.000 0.540 36 W N 2.128 123.401 121.300 -0.045 0.000 2.158 36 W HA 0.282 4.941 4.660 -0.001 0.000 0.339 36 W C 1.364 177.853 176.519 -0.050 0.000 1.294 36 W CA -0.624 56.699 57.345 -0.037 0.000 1.231 36 W CB 0.308 29.746 29.460 -0.036 0.000 1.143 36 W HN 0.372 nan 8.180 nan 0.000 0.571 37 R N 1.569 122.185 120.500 0.195 0.000 2.509 37 R HA 0.083 4.422 4.340 -0.001 0.000 0.300 37 R C -0.233 176.113 176.300 0.077 0.000 0.985 37 R CA -0.093 56.061 56.100 0.090 0.000 1.092 37 R CB -0.121 30.199 30.300 0.034 0.000 1.237 37 R HN 0.481 nan 8.270 nan 0.000 0.546 38 N N -0.180 118.581 118.700 0.100 0.000 2.500 38 N HA 0.086 4.825 4.740 -0.001 0.000 0.291 38 N C -0.143 175.328 175.510 -0.065 0.000 1.092 38 N CA 0.013 53.072 53.050 0.014 0.000 0.890 38 N CB 1.436 39.927 38.487 0.007 0.000 1.466 38 N HN -0.263 nan 8.380 nan 0.000 0.507 39 S N 1.971 117.617 115.700 -0.089 0.000 2.400 39 S HA -0.180 4.290 4.470 -0.001 0.000 0.232 39 S C 1.453 175.876 174.600 -0.295 0.000 1.025 39 S CA 1.187 59.289 58.200 -0.163 0.000 0.993 39 S CB -0.138 62.998 63.200 -0.108 0.000 0.808 39 S HN 0.720 nan 8.310 nan 0.000 0.478 40 E N 1.549 121.594 120.200 -0.259 0.000 2.106 40 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 40 E C 1.922 178.291 176.600 -0.385 0.000 0.984 40 E CA 1.078 57.288 56.400 -0.316 0.000 0.806 40 E CB -0.170 29.402 29.700 -0.213 0.000 0.750 40 E HN 0.299 nan 8.360 nan 0.000 0.458 41 E N 0.104 120.078 120.200 -0.378 0.000 2.106 41 E HA -0.127 4.222 4.350 -0.001 0.000 0.192 41 E C 1.949 177.899 176.600 -1.082 0.000 0.984 41 E CA 1.074 57.180 56.400 -0.490 0.000 0.806 41 E CB -0.442 29.109 29.700 -0.248 0.000 0.750 41 E HN 0.360 nan 8.360 nan 0.000 0.458 42 A N 1.585 123.612 122.820 -1.321 0.000 1.858 42 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 42 A C 2.252 179.251 177.584 -0.975 0.000 1.190 42 A CA 1.725 52.730 52.037 -1.719 0.000 0.617 42 A CB -0.544 17.979 19.000 -0.795 0.000 0.827 42 A HN 0.148 nan 8.150 nan 0.000 0.443 43 R N -0.254 119.848 120.500 -0.664 0.000 2.091 43 R HA -0.147 4.192 4.340 -0.001 0.000 0.238 43 R C 1.981 178.022 176.300 -0.432 0.000 1.136 43 R CA 2.135 57.898 56.100 -0.560 0.000 0.959 43 R CB -0.493 29.330 30.300 -0.795 0.000 0.856 43 R HN 0.637 nan 8.270 nan 0.000 0.437 44 T N -2.556 111.746 114.554 -0.420 0.000 3.129 44 T HA 0.010 4.360 4.350 -0.001 0.000 0.251 44 T C 0.274 174.860 174.700 -0.191 0.000 1.117 44 T CA 0.527 62.468 62.100 -0.264 0.000 1.034 44 T CB -0.068 68.668 68.868 -0.220 0.000 0.968 44 T HN 0.395 nan 8.240 nan 0.000 0.526 45 D N 1.046 121.276 120.400 -0.283 0.000 2.708 45 D HA -0.174 4.465 4.640 -0.001 0.000 0.236 45 D C -0.117 176.256 176.300 0.121 0.000 1.146 45 D CA 0.498 54.463 54.000 -0.058 0.000 0.662 45 D CB -0.950 39.888 40.800 0.063 0.000 1.059 45 D HN 0.591 nan 8.370 nan 0.000 0.428 46 R N 0.088 120.628 120.500 0.067 0.000 2.532 46 R HA 0.513 4.852 4.340 -0.001 0.000 0.272 46 R C -2.092 174.452 176.300 0.406 0.000 1.032 46 R CA -1.696 54.506 56.100 0.170 0.000 1.089 46 R CB 0.413 30.751 30.300 0.063 0.000 1.098 46 R HN 0.075 nan 8.270 nan 0.000 0.526 47 P HA -0.129 nan 4.420 nan 0.000 0.268 47 P C -0.706 176.777 177.300 0.306 0.000 1.189 47 P CA 0.566 63.815 63.100 0.250 0.000 0.771 47 P CB 0.511 32.305 31.700 0.156 0.000 0.822 48 S N 1.044 116.812 115.700 0.115 0.000 2.473 48 S HA 0.152 4.621 4.470 -0.001 0.000 0.307 48 S C 0.867 175.488 174.600 0.036 0.000 1.094 48 S CA -0.579 57.615 58.200 -0.011 0.000 1.070 48 S CB 0.615 63.511 63.200 -0.505 0.000 1.019 48 S HN 0.230 nan 8.310 nan 0.000 0.480 49 Q N 2.609 122.456 119.800 0.078 0.000 2.224 49 Q HA -0.054 4.286 4.340 -0.001 0.000 0.203 49 Q C 0.870 176.967 176.000 0.162 0.000 0.970 49 Q CA 1.352 57.227 55.803 0.120 0.000 0.865 49 Q CB -0.162 28.641 28.738 0.108 0.000 0.922 49 Q HN 0.696 nan 8.270 nan 0.000 0.445 50 Q N -0.147 119.664 119.800 0.018 0.000 2.322 50 Q HA 0.118 4.457 4.340 -0.001 0.000 0.203 50 Q C -0.356 175.674 176.000 0.049 0.000 0.923 50 Q CA 0.135 55.886 55.803 -0.086 0.000 0.949 50 Q CB 0.302 28.902 28.738 -0.231 0.000 1.039 50 Q HN -0.003 nan 8.270 nan 0.000 0.496 51 L N 0.575 121.870 121.223 0.120 0.000 2.454 51 L HA 0.417 4.756 4.340 -0.001 0.000 0.258 51 L C -1.150 175.809 176.870 0.149 0.000 1.025 51 L CA -0.409 54.501 54.840 0.117 0.000 0.901 51 L CB 0.767 42.807 42.059 -0.032 0.000 1.210 51 L HN -0.103 nan 8.230 nan 0.000 0.457 52 R N 1.482 122.111 120.500 0.215 0.000 2.457 52 R HA 0.621 4.960 4.340 -0.001 0.000 0.284 52 R C -0.251 176.070 176.300 0.036 0.000 1.024 52 R CA -0.415 55.744 56.100 0.098 0.000 1.025 52 R CB 1.634 31.946 30.300 0.020 0.000 1.063 52 R HN 0.601 nan 8.270 nan 0.000 0.493 53 S N 2.021 117.729 115.700 0.014 0.000 2.462 53 S HA 0.294 4.763 4.470 -0.001 0.000 0.294 53 S C 0.439 175.029 174.600 -0.015 0.000 1.144 53 S CA -0.735 57.465 58.200 -0.001 0.000 1.088 53 S CB 0.579 63.793 63.200 0.022 0.000 1.009 53 S HN 0.543 nan 8.310 nan 0.000 0.484 54 L N 3.723 124.931 121.223 -0.025 0.000 2.791 54 L HA 0.295 4.635 4.340 -0.001 0.000 0.239 54 L C -0.005 177.010 176.870 0.241 0.000 1.203 54 L CA -0.318 54.524 54.840 0.004 0.000 1.002 54 L CB -0.620 41.376 42.059 -0.105 0.000 1.295 54 L HN 0.529 nan 8.230 nan 0.000 0.504 55 N N 0.710 119.503 118.700 0.155 0.000 2.503 55 N HA 0.574 5.313 4.740 -0.001 0.000 0.267 55 N C 0.641 176.291 175.510 0.234 0.000 1.214 55 N CA 0.905 54.063 53.050 0.179 0.000 0.959 55 N CB 1.229 39.751 38.487 0.059 0.000 1.142 55 N HN 0.254 nan 8.380 nan 0.000 0.455 56 G N 0.047 109.003 108.800 0.260 0.000 2.292 56 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.194 56 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.194 56 G C -1.559 173.552 174.900 0.351 0.000 1.329 56 G CA -0.784 44.461 45.100 0.241 0.000 1.100 56 G HN 0.478 nan 8.290 nan 0.000 0.470 57 E N 0.080 120.468 120.200 0.312 0.000 2.200 57 E HA 0.496 4.845 4.350 -0.001 0.000 0.283 57 E C -1.039 175.832 176.600 0.451 0.000 1.015 57 E CA -0.284 56.312 56.400 0.326 0.000 0.819 57 E CB 1.300 31.108 29.700 0.180 0.000 1.081 57 E HN 0.354 nan 8.360 nan 0.000 0.397 58 W N 1.431 122.827 121.300 0.160 0.000 2.958 58 W HA 0.410 5.069 4.660 -0.001 0.000 0.339 58 W C 0.062 176.716 176.519 0.226 0.000 1.174 58 W CA -0.764 56.709 57.345 0.212 0.000 1.064 58 W CB 0.762 30.404 29.460 0.303 0.000 1.471 58 W HN 0.158 nan 8.180 nan 0.000 0.599 59 R N 1.611 122.411 120.500 0.500 0.000 2.294 59 R HA 0.514 4.854 4.340 -0.001 0.000 0.319 59 R C -1.478 175.075 176.300 0.422 0.000 0.984 59 R CA -0.808 55.512 56.100 0.367 0.000 0.861 59 R CB 0.969 31.431 30.300 0.270 0.000 1.104 59 R HN 0.426 nan 8.270 nan 0.000 0.451 60 F N 0.928 120.925 119.950 0.078 0.000 2.565 60 F HA 0.678 5.204 4.527 -0.001 0.000 0.313 60 F C -1.383 174.262 175.800 -0.260 0.000 1.091 60 F CA -0.741 57.160 58.000 -0.165 0.000 0.915 60 F CB 2.044 40.838 39.000 -0.344 0.000 1.208 60 F HN 0.601 nan 8.300 nan 0.000 0.453 61 A N 4.695 126.662 122.820 -1.421 0.000 2.459 61 A HA 0.511 4.831 4.320 -0.001 0.000 0.296 61 A C -2.283 174.375 177.584 -1.543 0.000 1.039 61 A CA -0.516 50.830 52.037 -1.151 0.000 0.698 61 A CB 0.508 19.176 19.000 -0.553 0.000 1.261 61 A HN 0.952 nan 8.150 nan 0.000 0.405 62 W N 2.487 122.909 121.300 -1.464 0.000 2.381 62 W HA 0.745 5.404 4.660 -0.001 0.000 0.329 62 W C -1.562 174.340 176.519 -1.028 0.000 1.157 62 W CA -0.085 56.591 57.345 -1.114 0.000 1.240 62 W CB 0.922 29.961 29.460 -0.702 0.000 1.199 62 W HN 0.503 nan 8.180 nan 0.000 0.579 63 F N 5.183 124.429 119.950 -1.174 0.000 2.613 63 F HA 0.317 4.843 4.527 -0.001 0.000 0.310 63 F C -1.292 173.623 175.800 -1.475 0.000 1.085 63 F CA -1.965 55.495 58.000 -0.899 0.000 0.945 63 F CB 2.056 40.658 39.000 -0.662 0.000 1.298 63 F HN 0.210 nan 8.300 nan 0.000 0.455 64 P HA 0.113 nan 4.420 nan 0.000 0.229 64 P C -0.314 176.875 177.300 -0.184 0.000 1.160 64 P CA 0.903 63.834 63.100 -0.281 0.000 0.777 64 P CB 0.899 32.666 31.700 0.111 0.000 0.814 65 A N -0.416 122.290 122.820 -0.191 0.000 2.597 65 A HA 0.484 4.803 4.320 -0.001 0.000 0.292 65 A C -2.445 175.021 177.584 -0.197 0.000 1.057 65 A CA -0.932 51.025 52.037 -0.133 0.000 0.674 65 A CB 0.380 19.372 19.000 -0.012 0.000 1.278 65 A HN -0.270 nan 8.150 nan 0.000 0.416 66 P HA -0.146 nan 4.420 nan 0.000 0.218 66 P C 0.604 177.794 177.300 -0.183 0.000 1.149 66 P CA 1.563 64.508 63.100 -0.259 0.000 0.817 66 P CB 0.184 31.692 31.700 -0.321 0.000 0.785 67 E N 0.158 120.316 120.200 -0.070 0.000 2.463 67 E HA -0.036 4.314 4.350 -0.001 0.000 0.201 67 E C 1.887 178.431 176.600 -0.094 0.000 1.045 67 E CA 1.046 57.422 56.400 -0.039 0.000 0.872 67 E CB -0.744 28.973 29.700 0.029 0.000 0.797 67 E HN 0.306 nan 8.360 nan 0.000 0.538 68 A N 0.173 122.899 122.820 -0.157 0.000 2.308 68 A HA 0.143 4.462 4.320 -0.001 0.000 0.217 68 A C 0.595 177.923 177.584 -0.426 0.000 1.216 68 A CA -0.274 51.680 52.037 -0.138 0.000 0.864 68 A CB 0.488 19.511 19.000 0.038 0.000 0.902 68 A HN 0.052 nan 8.150 nan 0.000 0.499 69 V N 3.929 123.442 119.914 -0.668 0.000 2.415 69 V HA 0.166 4.285 4.120 -0.001 0.000 0.267 69 V C -1.941 173.850 176.094 -0.505 0.000 1.042 69 V CA -1.371 60.322 62.300 -1.012 0.000 1.000 69 V CB 0.316 31.599 31.823 -0.899 0.000 1.015 69 V HN 0.406 nan 8.190 nan 0.000 0.478 70 P HA 0.067 nan 4.420 nan 0.000 0.267 70 P C 0.658 177.910 177.300 -0.080 0.000 1.205 70 P CA -0.049 62.963 63.100 -0.147 0.000 0.765 70 P CB 1.244 32.911 31.700 -0.054 0.000 0.828 71 E N 4.234 124.392 120.200 -0.069 0.000 2.086 71 E HA -0.284 4.066 4.350 -0.001 0.000 0.200 71 E C 1.719 178.294 176.600 -0.042 0.000 1.012 71 E CA 2.622 58.982 56.400 -0.067 0.000 0.812 71 E CB -1.144 28.519 29.700 -0.060 0.000 0.743 71 E HN 0.455 nan 8.360 nan 0.000 0.453 72 S N -0.419 115.274 115.700 -0.012 0.000 2.399 72 S HA -0.294 4.175 4.470 -0.001 0.000 0.235 72 S C 1.911 176.520 174.600 0.015 0.000 1.063 72 S CA 1.412 59.612 58.200 -0.000 0.000 1.070 72 S CB -1.552 61.662 63.200 0.023 0.000 0.904 72 S HN 0.634 nan 8.310 nan 0.000 0.456 73 W N 2.410 123.624 121.300 -0.144 0.000 2.325 73 W HA -0.086 4.574 4.660 -0.001 0.000 0.299 73 W C 1.875 178.289 176.519 -0.176 0.000 1.215 73 W CA 1.378 58.635 57.345 -0.147 0.000 1.244 73 W CB -0.549 28.793 29.460 -0.197 0.000 1.140 73 W HN 0.307 nan 8.180 nan 0.000 0.523 74 L N -0.067 120.937 121.223 -0.364 0.000 2.127 74 L HA -0.206 4.134 4.340 -0.001 0.000 0.211 74 L C 2.051 178.670 176.870 -0.419 0.000 1.089 74 L CA 1.881 56.346 54.840 -0.625 0.000 0.757 74 L CB -0.564 41.157 42.059 -0.564 0.000 0.899 74 L HN 0.096 nan 8.230 nan 0.000 0.434 75 E N -2.521 117.526 120.200 -0.255 0.000 2.421 75 E HA 0.063 4.413 4.350 -0.001 0.000 0.209 75 E C 0.088 176.610 176.600 -0.131 0.000 0.871 75 E CA -0.138 56.165 56.400 -0.161 0.000 1.064 75 E CB 0.971 30.613 29.700 -0.095 0.000 1.075 75 E HN 0.260 nan 8.360 nan 0.000 0.513 76 C N 1.784 121.015 119.300 -0.114 0.000 2.441 76 C HA 0.319 4.778 4.460 -0.001 0.000 0.318 76 C C -0.583 174.390 174.990 -0.028 0.000 1.222 76 C CA -0.977 58.005 59.018 -0.060 0.000 1.474 76 C CB 0.520 28.245 27.740 -0.025 0.000 2.125 76 C HN 0.274 nan 8.230 nan 0.000 0.479 77 D N 3.515 123.909 120.400 -0.009 0.000 2.488 77 D HA 0.176 4.815 4.640 -0.001 0.000 0.238 77 D C -0.142 176.225 176.300 0.112 0.000 1.138 77 D CA 0.435 54.472 54.000 0.061 0.000 0.873 77 D CB 0.653 41.484 40.800 0.052 0.000 1.183 77 D HN 0.566 nan 8.370 nan 0.000 0.458 78 L N 5.572 126.914 121.223 0.198 0.000 2.367 78 L HA 0.208 4.548 4.340 -0.001 0.000 0.275 78 L C -1.398 175.528 176.870 0.094 0.000 1.129 78 L CA -1.470 53.461 54.840 0.152 0.000 0.839 78 L CB 1.008 43.174 42.059 0.179 0.000 1.133 78 L HN 0.507 nan 8.230 nan 0.000 0.453 79 P HA -0.120 nan 4.420 nan 0.000 0.220 79 P C 1.070 178.389 177.300 0.032 0.000 1.152 79 P CA 0.643 63.769 63.100 0.044 0.000 0.812 79 P CB 0.182 31.901 31.700 0.032 0.000 0.792 80 E N -0.095 120.118 120.200 0.021 0.000 2.401 80 E HA -0.011 4.338 4.350 -0.001 0.000 0.199 80 E C 0.747 177.333 176.600 -0.024 0.000 1.023 80 E CA 0.094 56.489 56.400 -0.009 0.000 0.859 80 E CB -0.542 29.139 29.700 -0.032 0.000 0.780 80 E HN 0.069 nan 8.360 nan 0.000 0.523 81 A N 1.263 124.083 122.820 -0.000 0.000 2.366 81 A HA 0.196 4.515 4.320 -0.001 0.000 0.250 81 A C -0.551 177.059 177.584 0.044 0.000 1.099 81 A CA -0.074 51.959 52.037 -0.006 0.000 0.794 81 A CB 0.352 19.385 19.000 0.055 0.000 1.056 81 A HN 0.184 nan 8.150 nan 0.000 0.499 82 D N -1.246 119.202 120.400 0.080 0.000 2.423 82 D HA 0.571 5.210 4.640 -0.001 0.000 0.235 82 D C -0.902 175.501 176.300 0.172 0.000 1.011 82 D CA -0.157 53.925 54.000 0.136 0.000 0.963 82 D CB 1.454 42.383 40.800 0.215 0.000 1.349 82 D HN 0.349 nan 8.370 nan 0.000 0.508 83 T N 0.717 115.361 114.554 0.149 0.000 2.749 83 T HA 0.558 4.908 4.350 -0.001 0.000 0.287 83 T C -0.248 174.542 174.700 0.150 0.000 0.970 83 T CA -0.586 61.612 62.100 0.165 0.000 0.980 83 T CB 0.516 69.458 68.868 0.123 0.000 0.924 83 T HN 0.291 nan 8.240 nan 0.000 0.456 84 V N 1.304 121.340 119.914 0.203 0.000 3.141 84 V HA 0.824 4.943 4.120 -0.001 0.000 0.312 84 V C -0.297 175.916 176.094 0.198 0.000 1.157 84 V CA -1.092 61.283 62.300 0.125 0.000 1.041 84 V CB 1.623 33.519 31.823 0.120 0.000 1.071 84 V HN 0.508 nan 8.190 nan 0.000 0.441 85 V N 1.486 121.490 119.914 0.151 0.000 2.607 85 V HA 0.617 4.736 4.120 -0.001 0.000 0.289 85 V C 0.017 176.179 176.094 0.114 0.000 1.053 85 V CA -0.265 62.124 62.300 0.148 0.000 0.996 85 V CB 1.248 33.119 31.823 0.080 0.000 0.995 85 V HN 0.757 nan 8.190 nan 0.000 0.476 86 V N 5.743 125.647 119.914 -0.017 0.000 2.656 86 V HA 0.479 4.599 4.120 -0.001 0.000 0.307 86 V C -2.240 173.736 176.094 -0.196 0.000 1.051 86 V CA -1.656 60.486 62.300 -0.262 0.000 0.893 86 V CB 2.371 33.643 31.823 -0.919 0.000 0.999 86 V HN 0.773 nan 8.190 nan 0.000 0.426 87 P HA 0.455 nan 4.420 nan 0.000 0.274 87 P C -0.632 176.579 177.300 -0.148 0.000 1.246 87 P CA -0.008 62.953 63.100 -0.232 0.000 0.795 87 P CB 1.572 33.146 31.700 -0.211 0.000 1.006 88 S N -0.553 115.071 115.700 -0.127 0.000 2.688 88 S HA 0.295 4.764 4.470 -0.001 0.000 0.269 88 S C -1.538 172.963 174.600 -0.165 0.000 1.060 88 S CA -1.070 57.033 58.200 -0.161 0.000 0.844 88 S CB -0.139 62.945 63.200 -0.193 0.000 1.095 88 S HN 0.453 nan 8.310 nan 0.000 0.466 89 N N 1.030 119.556 118.700 -0.291 0.000 2.417 89 N HA 0.451 5.190 4.740 -0.001 0.000 0.274 89 N C 0.469 175.787 175.510 -0.319 0.000 0.987 89 N CA -0.815 52.046 53.050 -0.315 0.000 0.912 89 N CB 0.741 39.017 38.487 -0.351 0.000 1.177 89 N HN 0.838 nan 8.380 nan 0.000 0.490 90 W N 2.313 123.493 121.300 -0.201 0.000 2.424 90 W HA -0.089 4.570 4.660 -0.001 0.000 0.264 90 W C 0.978 177.521 176.519 0.040 0.000 1.229 90 W CA 0.616 57.903 57.345 -0.096 0.000 1.208 90 W CB -0.368 29.050 29.460 -0.070 0.000 1.127 90 W HN 0.491 nan 8.180 nan 0.000 0.588 91 Q N 0.542 120.333 119.800 -0.016 0.000 2.079 91 Q HA -0.130 4.209 4.340 -0.001 0.000 0.200 91 Q C 2.242 178.216 176.000 -0.043 0.000 0.974 91 Q CA 1.900 57.706 55.803 0.005 0.000 0.840 91 Q CB -0.724 27.907 28.738 -0.178 0.000 0.898 91 Q HN 0.236 nan 8.270 nan 0.000 0.430 92 M N -0.185 119.321 119.600 -0.156 0.000 2.446 92 M HA -0.102 4.378 4.480 -0.001 0.000 0.263 92 M C 0.759 177.067 176.300 0.013 0.000 1.066 92 M CA 1.327 56.547 55.300 -0.134 0.000 1.087 92 M CB -0.556 31.917 32.600 -0.212 0.000 1.406 92 M HN 0.234 nan 8.290 nan 0.000 0.459 93 H N -0.702 118.364 119.070 -0.005 0.000 2.551 93 H HA 0.357 4.912 4.556 -0.001 0.000 0.271 93 H C 1.577 176.716 175.328 -0.315 0.000 0.984 93 H CA 0.462 56.448 56.048 -0.103 0.000 1.164 93 H CB 0.003 29.783 29.762 0.030 0.000 1.437 93 H HN 0.487 nan 8.280 nan 0.000 0.550 94 G N 0.374 109.141 108.800 -0.054 0.000 2.143 94 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.249 94 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.249 94 G C 0.656 175.441 174.900 -0.192 0.000 0.981 94 G CA 0.414 45.442 45.100 -0.120 0.000 0.665 94 G HN 0.411 nan 8.290 nan 0.000 0.528 95 Y N 1.642 122.002 120.300 0.101 0.000 2.421 95 Y HA 0.281 4.831 4.550 -0.001 0.000 0.292 95 Y C 1.515 177.212 175.900 -0.337 0.000 1.136 95 Y CA 1.408 59.462 58.100 -0.076 0.000 1.255 95 Y CB 0.208 38.752 38.460 0.141 0.000 0.991 95 Y HN 0.693 nan 8.280 nan 0.000 0.552 96 D N -2.574 117.894 120.400 0.114 0.000 2.710 96 D HA 0.438 5.077 4.640 -0.001 0.000 0.276 96 D C -1.184 175.226 176.300 0.183 0.000 1.267 96 D CA -0.704 53.349 54.000 0.089 0.000 0.772 96 D CB 0.549 41.499 40.800 0.250 0.000 1.299 96 D HN -0.046 nan 8.370 nan 0.000 0.421 97 A N 0.319 123.249 122.820 0.184 0.000 2.354 97 A HA 0.672 4.991 4.320 -0.001 0.000 0.269 97 A C -2.234 175.440 177.584 0.149 0.000 1.109 97 A CA -1.053 51.102 52.037 0.196 0.000 0.800 97 A CB 0.003 19.160 19.000 0.262 0.000 1.045 97 A HN 0.544 nan 8.150 nan 0.000 0.489 98 P HA 0.411 nan 4.420 nan 0.000 0.285 98 P C -0.877 176.591 177.300 0.279 0.000 1.259 98 P CA 0.056 63.150 63.100 -0.011 0.000 0.794 98 P CB 0.874 32.333 31.700 -0.402 0.000 0.940 99 I N 3.441 124.224 120.570 0.355 0.000 2.392 99 I HA 0.273 4.442 4.170 -0.001 0.000 0.295 99 I C -0.279 176.027 176.117 0.316 0.000 0.985 99 I CA -0.973 60.546 61.300 0.365 0.000 1.221 99 I CB 1.210 39.383 38.000 0.288 0.000 1.366 99 I HN 0.325 nan 8.210 nan 0.000 0.467 100 Y N 5.362 125.635 120.300 -0.045 0.000 2.388 100 Y HA 0.489 5.039 4.550 -0.001 0.000 0.328 100 Y C -0.461 175.300 175.900 -0.231 0.000 0.963 100 Y CA -0.647 57.190 58.100 -0.440 0.000 1.240 100 Y CB 1.292 39.018 38.460 -1.224 0.000 1.118 100 Y HN 0.553 nan 8.280 nan 0.000 0.484 101 T N 5.765 119.833 114.554 -0.811 0.000 2.886 101 T HA 0.263 4.613 4.350 -0.001 0.000 0.292 101 T C 0.183 174.465 174.700 -0.696 0.000 1.012 101 T CA -0.588 61.077 62.100 -0.723 0.000 0.982 101 T CB 1.031 69.709 68.868 -0.316 0.000 1.018 101 T HN 0.770 nan 8.240 nan 0.000 0.451 102 N N 2.761 121.076 118.700 -0.641 0.000 2.174 102 N HA -0.006 4.734 4.740 -0.001 0.000 0.191 102 N C 1.635 176.939 175.510 -0.343 0.000 1.059 102 N CA 1.657 54.458 53.050 -0.415 0.000 0.889 102 N CB -0.566 37.674 38.487 -0.412 0.000 1.069 102 N HN 0.430 nan 8.380 nan 0.000 0.461 103 V N 0.483 120.177 119.914 -0.368 0.000 2.341 103 V HA 0.042 4.161 4.120 -0.001 0.000 0.240 103 V C 0.566 176.436 176.094 -0.372 0.000 1.035 103 V CA 0.888 62.968 62.300 -0.366 0.000 1.033 103 V CB -0.971 30.639 31.823 -0.356 0.000 0.678 103 V HN 0.345 nan 8.190 nan 0.000 0.464 104 T N 1.506 115.884 114.554 -0.293 0.000 2.778 104 T HA 0.022 4.372 4.350 -0.001 0.000 0.282 104 T C -0.292 174.303 174.700 -0.175 0.000 0.983 104 T CA 0.369 62.346 62.100 -0.205 0.000 1.193 104 T CB -0.585 68.190 68.868 -0.155 0.000 0.938 104 T HN 0.179 nan 8.240 nan 0.000 0.523 105 Y N 5.664 125.887 120.300 -0.127 0.000 2.890 105 Y HA 0.021 4.570 4.550 -0.001 0.000 0.341 105 Y C -0.559 175.234 175.900 -0.177 0.000 1.269 105 Y CA -1.329 56.685 58.100 -0.143 0.000 1.517 105 Y CB 0.267 38.647 38.460 -0.134 0.000 1.314 105 Y HN 0.506 nan 8.280 nan 0.000 0.622 106 P HA -0.068 nan 4.420 nan 0.000 0.225 106 P C 0.076 177.192 177.300 -0.308 0.000 1.156 106 P CA 1.340 64.366 63.100 -0.124 0.000 0.787 106 P CB 0.244 31.929 31.700 -0.025 0.000 0.802 107 I N -4.246 116.064 120.570 -0.432 0.000 3.436 107 I HA 0.507 4.676 4.170 -0.001 0.000 0.296 107 I C -0.508 175.474 176.117 -0.224 0.000 1.143 107 I CA -1.181 59.835 61.300 -0.472 0.000 1.009 107 I CB 1.135 38.668 38.000 -0.780 0.000 1.301 107 I HN -0.452 nan 8.210 nan 0.000 0.503 108 T N 2.335 116.793 114.554 -0.161 0.000 2.832 108 T HA 0.281 4.630 4.350 -0.001 0.000 0.296 108 T C 0.036 174.720 174.700 -0.027 0.000 0.968 108 T CA -0.369 61.696 62.100 -0.058 0.000 1.107 108 T CB 0.893 69.751 68.868 -0.017 0.000 0.916 108 T HN 0.371 nan 8.240 nan 0.000 0.517 109 V N 4.827 124.741 119.914 0.001 0.000 2.390 109 V HA 0.245 4.365 4.120 -0.001 0.000 0.260 109 V C 0.683 176.808 176.094 0.051 0.000 1.043 109 V CA -0.280 62.037 62.300 0.027 0.000 1.047 109 V CB -0.539 31.299 31.823 0.025 0.000 1.066 109 V HN 0.919 nan 8.190 nan 0.000 0.481 110 N N 5.772 124.546 118.700 0.123 0.000 2.805 110 N HA 0.203 4.942 4.740 -0.001 0.000 0.216 110 N C -2.819 172.762 175.510 0.118 0.000 1.447 110 N CA -0.991 52.130 53.050 0.118 0.000 0.785 110 N CB 1.415 40.008 38.487 0.176 0.000 1.458 110 N HN 0.343 nan 8.380 nan 0.000 0.547 111 P HA 0.166 nan 4.420 nan 0.000 0.266 111 P C -2.200 174.955 177.300 -0.243 0.000 1.195 111 P CA -0.569 62.194 63.100 -0.563 0.000 0.768 111 P CB 0.830 32.019 31.700 -0.851 0.000 0.838 112 P HA 0.212 nan 4.420 nan 0.000 0.259 112 P C -0.453 176.797 177.300 -0.084 0.000 1.530 112 P CA -0.306 62.679 63.100 -0.191 0.000 1.022 112 P CB 0.020 31.554 31.700 -0.278 0.000 1.514 113 F N 1.430 121.521 119.950 0.236 0.000 2.399 113 F HA 0.248 4.774 4.527 -0.001 0.000 0.342 113 F C 1.315 177.253 175.800 0.230 0.000 1.106 113 F CA -0.714 57.405 58.000 0.198 0.000 1.196 113 F CB 0.684 39.746 39.000 0.104 0.000 1.163 113 F HN -0.198 nan 8.300 nan 0.000 0.547 114 V N 0.012 120.164 119.914 0.397 0.000 3.019 114 V HA 0.705 4.824 4.120 -0.001 0.000 0.317 114 V C -2.699 173.543 176.094 0.247 0.000 1.094 114 V CA -3.095 59.359 62.300 0.257 0.000 1.000 114 V CB 1.323 33.351 31.823 0.342 0.000 1.060 114 V HN 0.496 nan 8.190 nan 0.000 0.443 115 P HA 0.122 nan 4.420 nan 0.000 0.265 115 P C 1.115 178.551 177.300 0.226 0.000 1.187 115 P CA 0.711 63.903 63.100 0.152 0.000 0.766 115 P CB 0.457 32.228 31.700 0.117 0.000 0.820 116 T N -1.043 113.618 114.554 0.179 0.000 2.867 116 T HA -0.115 4.234 4.350 -0.001 0.000 0.268 116 T C 0.529 175.336 174.700 0.179 0.000 1.057 116 T CA 0.916 63.126 62.100 0.184 0.000 1.136 116 T CB -0.496 68.448 68.868 0.126 0.000 0.874 116 T HN 0.407 nan 8.240 nan 0.000 0.466 117 E N 2.549 122.853 120.200 0.174 0.000 1.861 117 E HA 0.208 4.557 4.350 -0.001 0.000 0.263 117 E C -0.647 176.098 176.600 0.240 0.000 1.137 117 E CA -0.375 56.131 56.400 0.177 0.000 0.944 117 E CB 0.063 29.872 29.700 0.183 0.000 1.092 117 E HN 0.239 nan 8.360 nan 0.000 0.420 118 N N 3.812 122.623 118.700 0.185 0.000 2.501 118 N HA 0.205 4.944 4.740 -0.001 0.000 0.245 118 N C -2.726 172.785 175.510 0.001 0.000 0.974 118 N CA -2.284 50.892 53.050 0.210 0.000 0.941 118 N CB 1.198 39.774 38.487 0.149 0.000 1.122 118 N HN 0.039 nan 8.380 nan 0.000 0.507 119 P HA -0.011 nan 4.420 nan 0.000 0.255 119 P C -0.867 176.271 177.300 -0.269 0.000 1.173 119 P CA 0.586 63.580 63.100 -0.176 0.000 0.780 119 P CB 0.226 32.111 31.700 0.308 0.000 0.758 120 T N 3.279 117.455 114.554 -0.631 0.000 2.758 120 T HA 0.502 4.852 4.350 -0.001 0.000 0.285 120 T C 0.589 174.824 174.700 -0.775 0.000 0.981 120 T CA -0.531 61.275 62.100 -0.490 0.000 0.965 120 T CB 1.266 69.880 68.868 -0.423 0.000 0.927 120 T HN 0.288 nan 8.240 nan 0.000 0.448 121 G N 1.193 109.596 108.800 -0.660 0.000 2.319 121 G HA2 0.439 4.398 3.960 -0.001 0.000 0.308 121 G HA3 0.439 4.398 3.960 -0.001 0.000 0.308 121 G C -0.201 174.556 174.900 -0.239 0.000 1.117 121 G CA -0.383 44.279 45.100 -0.731 0.000 0.903 121 G HN 0.854 nan 8.290 nan 0.000 0.436 122 C N 3.458 122.400 119.300 -0.596 0.000 2.200 122 C HA 0.413 4.872 4.460 -0.001 0.000 0.328 122 C C -0.495 174.561 174.990 0.109 0.000 1.148 122 C CA -0.900 57.882 59.018 -0.393 0.000 1.624 122 C CB -1.814 25.256 27.740 -1.117 0.000 2.167 122 C HN 0.624 nan 8.230 nan 0.000 0.484 123 Y N 2.160 122.801 120.300 0.568 0.000 2.361 123 Y HA 0.570 5.120 4.550 -0.001 0.000 0.332 123 Y C 0.854 177.225 175.900 0.785 0.000 1.101 123 Y CA -0.078 58.443 58.100 0.702 0.000 1.137 123 Y CB 1.340 40.163 38.460 0.605 0.000 1.207 123 Y HN 0.661 nan 8.280 nan 0.000 0.463 124 S N 2.829 119.024 115.700 0.826 0.000 2.564 124 S HA 0.836 5.305 4.470 -0.001 0.000 0.274 124 S C -1.758 172.977 174.600 0.226 0.000 1.124 124 S CA -0.843 57.633 58.200 0.459 0.000 0.869 124 S CB 2.256 65.617 63.200 0.269 0.000 1.105 124 S HN 0.586 nan 8.310 nan 0.000 0.472 125 L N 1.035 122.209 121.223 -0.082 0.000 2.543 125 L HA 0.659 4.998 4.340 -0.001 0.000 0.265 125 L C -1.200 175.633 176.870 -0.062 0.000 0.945 125 L CA 0.112 54.729 54.840 -0.371 0.000 0.869 125 L CB 2.260 43.536 42.059 -1.306 0.000 1.294 125 L HN 0.903 nan 8.230 nan 0.000 0.405 126 T N 5.645 120.183 114.554 -0.027 0.000 2.758 126 T HA 0.761 5.111 4.350 -0.001 0.000 0.285 126 T C -0.832 173.914 174.700 0.077 0.000 0.981 126 T CA -0.054 62.057 62.100 0.017 0.000 0.965 126 T CB 0.388 69.231 68.868 -0.041 0.000 0.927 126 T HN 0.444 nan 8.240 nan 0.000 0.448 127 F N 0.608 120.460 119.950 -0.164 0.000 2.662 127 F HA 0.785 5.312 4.527 -0.001 0.000 0.312 127 F C -1.204 174.520 175.800 -0.128 0.000 1.113 127 F CA -1.803 56.103 58.000 -0.157 0.000 0.951 127 F CB 0.942 39.826 39.000 -0.194 0.000 1.344 127 F HN 0.425 nan 8.300 nan 0.000 0.462 128 N N -0.265 118.284 118.700 -0.252 0.000 2.292 128 N HA 0.715 5.454 4.740 -0.001 0.000 0.303 128 N C -1.858 173.513 175.510 -0.231 0.000 1.140 128 N CA -0.973 51.873 53.050 -0.339 0.000 0.788 128 N CB 2.304 40.669 38.487 -0.202 0.000 1.361 128 N HN 0.546 nan 8.380 nan 0.000 0.489 129 V N 0.333 120.097 119.914 -0.251 0.000 2.513 129 V HA 0.282 4.401 4.120 -0.001 0.000 0.299 129 V C -0.279 175.695 176.094 -0.200 0.000 1.035 129 V CA -0.955 61.207 62.300 -0.230 0.000 0.889 129 V CB 1.388 33.136 31.823 -0.125 0.000 0.988 129 V HN 0.672 nan 8.190 nan 0.000 0.440 130 D N 2.886 123.105 120.400 -0.302 0.000 2.472 130 D HA -0.038 4.602 4.640 -0.001 0.000 0.237 130 D C 1.044 177.347 176.300 0.005 0.000 1.141 130 D CA 0.301 54.217 54.000 -0.140 0.000 0.875 130 D CB 1.487 42.209 40.800 -0.131 0.000 1.192 130 D HN 0.808 nan 8.370 nan 0.000 0.450 131 E N 1.138 121.359 120.200 0.034 0.000 2.204 131 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 131 E C 1.674 178.351 176.600 0.129 0.000 0.990 131 E CA 1.076 57.517 56.400 0.067 0.000 0.821 131 E CB 0.191 29.915 29.700 0.039 0.000 0.750 131 E HN 0.448 nan 8.360 nan 0.000 0.477 132 S N -0.601 115.195 115.700 0.160 0.000 2.447 132 S HA -0.140 4.330 4.470 -0.001 0.000 0.233 132 S C 1.410 176.150 174.600 0.233 0.000 1.006 132 S CA 0.589 58.890 58.200 0.168 0.000 0.957 132 S CB -0.556 62.728 63.200 0.140 0.000 0.773 132 S HN 0.419 nan 8.310 nan 0.000 0.507 133 W N 1.597 122.901 121.300 0.006 0.000 2.584 133 W HA 0.393 5.053 4.660 -0.001 0.000 0.264 133 W C 1.694 178.339 176.519 0.211 0.000 1.264 133 W CA -0.079 57.331 57.345 0.107 0.000 1.306 133 W CB -0.343 29.210 29.460 0.155 0.000 1.110 133 W HN 0.298 nan 8.180 nan 0.000 0.606 134 L N -0.405 121.022 121.223 0.340 0.000 2.607 134 L HA 0.108 4.448 4.340 -0.001 0.000 0.228 134 L C 1.773 178.737 176.870 0.157 0.000 1.123 134 L CA 0.360 55.335 54.840 0.225 0.000 0.890 134 L CB -0.406 41.751 42.059 0.162 0.000 1.103 134 L HN -0.038 nan 8.230 nan 0.000 0.468 135 Q N 0.816 120.706 119.800 0.151 0.000 2.424 135 Q HA 0.024 4.364 4.340 -0.001 0.000 0.204 135 Q C -0.068 175.990 176.000 0.097 0.000 0.933 135 Q CA 0.427 56.290 55.803 0.101 0.000 0.929 135 Q CB 0.589 29.375 28.738 0.079 0.000 1.037 135 Q HN 0.599 nan 8.270 nan 0.000 0.511 136 E N -2.133 118.151 120.200 0.140 0.000 2.429 136 E HA 0.534 4.884 4.350 -0.001 0.000 0.280 136 E C -0.177 176.515 176.600 0.153 0.000 1.068 136 E CA -0.722 55.749 56.400 0.119 0.000 0.837 136 E CB 0.593 30.350 29.700 0.095 0.000 1.357 136 E HN 0.035 nan 8.360 nan 0.000 0.455 137 G N 0.497 109.322 108.800 0.040 0.000 2.682 137 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.256 137 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.256 137 G C -0.621 174.132 174.900 -0.245 0.000 1.333 137 G CA 0.288 45.310 45.100 -0.129 0.000 0.904 137 G HN 0.721 nan 8.290 nan 0.000 0.569 138 Q N -0.430 119.107 119.800 -0.438 0.000 2.316 138 Q HA 0.603 4.943 4.340 -0.001 0.000 0.264 138 Q C -0.883 174.890 176.000 -0.378 0.000 0.987 138 Q CA -0.374 55.257 55.803 -0.288 0.000 0.852 138 Q CB 1.223 29.854 28.738 -0.178 0.000 1.287 138 Q HN 0.576 nan 8.270 nan 0.000 0.448 139 T N 5.240 119.745 114.554 -0.082 0.000 2.791 139 T HA 0.470 4.819 4.350 -0.001 0.000 0.288 139 T C -0.659 174.134 174.700 0.156 0.000 0.999 139 T CA -0.669 61.502 62.100 0.118 0.000 0.952 139 T CB 0.548 69.639 68.868 0.372 0.000 0.938 139 T HN 0.641 nan 8.240 nan 0.000 0.444 140 R N 2.788 123.377 120.500 0.148 0.000 2.854 140 R HA 0.806 5.146 4.340 -0.001 0.000 0.271 140 R C -1.163 175.227 176.300 0.151 0.000 0.996 140 R CA -1.040 55.146 56.100 0.143 0.000 0.961 140 R CB 1.648 32.009 30.300 0.102 0.000 1.182 140 R HN 0.550 nan 8.270 nan 0.000 0.479 141 I N 2.150 122.809 120.570 0.147 0.000 2.493 141 I HA 0.457 4.627 4.170 -0.001 0.000 0.298 141 I C -1.150 175.009 176.117 0.070 0.000 0.998 141 I CA -1.382 59.959 61.300 0.068 0.000 1.137 141 I CB 1.527 39.564 38.000 0.061 0.000 1.310 141 I HN 0.625 nan 8.210 nan 0.000 0.445 142 I N 7.351 127.860 120.570 -0.102 0.000 2.439 142 I HA 0.274 4.443 4.170 -0.001 0.000 0.285 142 I C -1.276 174.687 176.117 -0.257 0.000 1.021 142 I CA -0.380 60.874 61.300 -0.076 0.000 1.091 142 I CB 1.352 39.320 38.000 -0.054 0.000 1.242 142 I HN 0.391 nan 8.210 nan 0.000 0.439 143 F N 4.620 124.560 119.950 -0.017 0.000 2.313 143 F HA 0.254 4.781 4.527 -0.001 0.000 0.369 143 F C 1.396 177.078 175.800 -0.197 0.000 1.109 143 F CA -0.435 57.479 58.000 -0.144 0.000 1.132 143 F CB 0.576 39.451 39.000 -0.209 0.000 1.291 143 F HN 0.459 nan 8.300 nan 0.000 0.496 144 D N 2.390 122.696 120.400 -0.157 0.000 2.263 144 D HA 0.018 4.657 4.640 -0.001 0.000 0.208 144 D C 1.026 177.140 176.300 -0.310 0.000 0.971 144 D CA 0.904 54.766 54.000 -0.229 0.000 0.867 144 D CB 0.382 40.993 40.800 -0.315 0.000 0.929 144 D HN 0.634 nan 8.370 nan 0.000 0.492 145 G N -0.296 108.253 108.800 -0.418 0.000 2.455 145 G HA2 0.407 4.366 3.960 -0.001 0.000 0.298 145 G HA3 0.407 4.366 3.960 -0.001 0.000 0.298 145 G C -1.409 173.164 174.900 -0.545 0.000 1.349 145 G CA -0.461 44.246 45.100 -0.653 0.000 1.220 145 G HN -0.052 nan 8.290 nan 0.000 0.598 146 V N 2.809 122.635 119.914 -0.148 0.000 2.443 146 V HA 0.490 4.609 4.120 -0.001 0.000 0.293 146 V C -0.636 175.550 176.094 0.154 0.000 1.021 146 V CA -1.264 60.971 62.300 -0.109 0.000 0.848 146 V CB 1.831 33.302 31.823 -0.585 0.000 0.998 146 V HN 0.686 nan 8.190 nan 0.000 0.424 147 N N 2.684 121.479 118.700 0.158 0.000 2.437 147 N HA 0.269 5.009 4.740 -0.001 0.000 0.259 147 N C 0.698 176.162 175.510 -0.077 0.000 0.983 147 N CA 0.272 53.308 53.050 -0.022 0.000 0.937 147 N CB 2.051 40.345 38.487 -0.322 0.000 1.122 147 N HN 0.752 nan 8.380 nan 0.000 0.499 148 S N 1.881 117.579 115.700 -0.002 0.000 2.559 148 S HA 0.543 5.013 4.470 -0.001 0.000 0.226 148 S C 0.250 174.926 174.600 0.125 0.000 1.030 148 S CA -0.095 58.144 58.200 0.066 0.000 0.956 148 S CB 0.417 63.668 63.200 0.085 0.000 0.900 148 S HN 0.622 nan 8.310 nan 0.000 0.510 149 A N 0.887 123.800 122.820 0.156 0.000 2.612 149 A HA 0.789 5.108 4.320 -0.001 0.000 0.293 149 A C -1.378 176.346 177.584 0.232 0.000 1.075 149 A CA -0.872 51.232 52.037 0.112 0.000 0.680 149 A CB 0.924 20.013 19.000 0.148 0.000 1.279 149 A HN 1.157 nan 8.150 nan 0.000 0.411 150 F N -0.809 119.022 119.950 -0.199 0.000 2.744 150 F HA 0.735 5.261 4.527 -0.001 0.000 0.311 150 F C -1.409 174.333 175.800 -0.097 0.000 1.144 150 F CA -0.794 57.162 58.000 -0.074 0.000 0.938 150 F CB 0.933 39.861 39.000 -0.120 0.000 1.292 150 F HN 0.627 nan 8.300 nan 0.000 0.444 151 H N 1.832 120.988 119.070 0.142 0.000 2.492 151 H HA 0.729 5.285 4.556 -0.001 0.000 0.345 151 H C -1.474 173.720 175.328 -0.224 0.000 1.136 151 H CA -0.740 55.248 56.048 -0.099 0.000 1.202 151 H CB 2.454 32.194 29.762 -0.036 0.000 1.524 151 H HN 0.816 nan 8.280 nan 0.000 0.506 152 L N 3.221 124.131 121.223 -0.521 0.000 2.362 152 L HA 0.416 4.756 4.340 -0.001 0.000 0.275 152 L C -1.568 174.927 176.870 -0.625 0.000 0.998 152 L CA -0.478 54.112 54.840 -0.418 0.000 0.820 152 L CB 1.282 42.990 42.059 -0.585 0.000 1.270 152 L HN 0.491 nan 8.230 nan 0.000 0.415 153 W N 4.639 125.891 121.300 -0.080 0.000 2.819 153 W HA 0.518 5.178 4.660 -0.001 0.000 0.337 153 W C -1.182 175.302 176.519 -0.058 0.000 1.077 153 W CA -0.800 56.509 57.345 -0.060 0.000 1.226 153 W CB 2.007 31.471 29.460 0.006 0.000 1.419 153 W HN 0.557 nan 8.180 nan 0.000 0.502 154 C N 5.861 125.278 119.300 0.193 0.000 2.344 154 C HA 0.319 4.779 4.460 -0.001 0.000 0.326 154 C C 0.031 175.175 174.990 0.258 0.000 1.201 154 C CA -0.322 58.808 59.018 0.187 0.000 1.410 154 C CB -1.075 26.724 27.740 0.099 0.000 2.070 154 C HN 0.759 nan 8.230 nan 0.000 0.445 155 N N 4.174 122.966 118.700 0.154 0.000 2.726 155 N HA -0.164 4.575 4.740 -0.001 0.000 0.253 155 N C 0.988 176.566 175.510 0.113 0.000 1.059 155 N CA 1.808 54.916 53.050 0.097 0.000 0.701 155 N CB -1.293 37.254 38.487 0.101 0.000 0.899 155 N HN 1.730 nan 8.380 nan 0.000 0.548 156 G N -0.742 108.104 108.800 0.076 0.000 2.480 156 G HA2 -0.422 3.537 3.960 -0.001 0.000 0.246 156 G HA3 -0.422 3.537 3.960 -0.001 0.000 0.246 156 G C 0.319 175.371 174.900 0.252 0.000 1.073 156 G CA 0.944 46.080 45.100 0.061 0.000 0.643 156 G HN 0.601 nan 8.290 nan 0.000 0.525 157 R N -0.515 120.195 120.500 0.351 0.000 2.441 157 R HA 0.386 4.726 4.340 -0.001 0.000 0.284 157 R C -0.076 176.624 176.300 0.666 0.000 1.070 157 R CA -0.585 55.810 56.100 0.492 0.000 1.047 157 R CB 0.681 31.227 30.300 0.411 0.000 1.016 157 R HN 0.316 nan 8.270 nan 0.000 0.477 158 W N 3.452 125.016 121.300 0.441 0.000 2.266 158 W HA 0.131 4.791 4.660 -0.001 0.000 0.317 158 W C 0.094 176.584 176.519 -0.049 0.000 1.310 158 W CA -0.186 57.141 57.345 -0.030 0.000 1.207 158 W CB 0.694 30.086 29.460 -0.112 0.000 1.199 158 W HN 0.310 nan 8.180 nan 0.000 0.544 159 V N 5.193 124.409 119.914 -1.162 0.000 2.599 159 V HA 0.538 4.657 4.120 -0.001 0.000 0.237 159 V C 1.037 176.171 176.094 -1.600 0.000 1.081 159 V CA 1.067 62.626 62.300 -1.236 0.000 1.107 159 V CB -0.562 30.582 31.823 -1.132 0.000 0.808 159 V HN 0.788 nan 8.190 nan 0.000 0.486 160 G N -1.947 105.699 108.800 -1.923 0.000 2.490 160 G HA2 0.494 4.453 3.960 -0.001 0.000 0.308 160 G HA3 0.494 4.453 3.960 -0.001 0.000 0.308 160 G C -2.432 172.056 174.900 -0.686 0.000 1.286 160 G CA -0.293 44.026 45.100 -1.301 0.000 0.825 160 G HN 0.008 nan 8.290 nan 0.000 0.479 161 Y N -0.491 119.608 120.300 -0.335 0.000 2.553 161 Y HA 0.733 5.283 4.550 -0.001 0.000 0.347 161 Y C -0.044 175.648 175.900 -0.346 0.000 1.019 161 Y CA -0.274 57.571 58.100 -0.425 0.000 1.032 161 Y CB 2.310 40.677 38.460 -0.154 0.000 1.284 161 Y HN 1.178 nan 8.280 nan 0.000 0.466 162 G N 3.501 111.443 108.800 -1.429 0.000 2.733 162 G HA2 0.570 4.530 3.960 -0.001 0.000 0.297 162 G HA3 0.570 4.530 3.960 -0.001 0.000 0.297 162 G C -2.156 172.266 174.900 -0.796 0.000 1.422 162 G CA -0.848 43.715 45.100 -0.895 0.000 0.942 162 G HN 0.617 nan 8.290 nan 0.000 0.510 163 Q N -0.186 119.399 119.800 -0.359 0.000 2.528 163 Q HA 0.597 4.936 4.340 -0.001 0.000 0.289 163 Q C -1.433 174.566 176.000 -0.002 0.000 1.091 163 Q CA -0.794 54.926 55.803 -0.138 0.000 0.797 163 Q CB 2.826 31.515 28.738 -0.082 0.000 1.466 163 Q HN 0.658 nan 8.270 nan 0.000 0.436 164 D N -0.190 120.247 120.400 0.061 0.000 3.943 164 D HA -0.091 4.549 4.640 -0.001 0.000 0.229 164 D C -0.448 175.915 176.300 0.105 0.000 1.096 164 D CA 0.492 54.543 54.000 0.084 0.000 1.008 164 D CB -0.810 40.021 40.800 0.052 0.000 0.746 164 D HN 0.529 nan 8.370 nan 0.000 0.348 165 S N 2.385 118.162 115.700 0.129 0.000 2.493 165 S HA -0.142 4.327 4.470 -0.001 0.000 0.243 165 S C 1.635 176.378 174.600 0.238 0.000 0.991 165 S CA 0.728 59.039 58.200 0.186 0.000 0.957 165 S CB 0.169 63.440 63.200 0.118 0.000 0.756 165 S HN 0.458 nan 8.310 nan 0.000 0.521 166 R N -0.050 120.540 120.500 0.150 0.000 2.397 166 R HA 0.412 4.751 4.340 -0.001 0.000 0.241 166 R C -0.052 176.300 176.300 0.086 0.000 0.914 166 R CA 0.071 56.253 56.100 0.137 0.000 1.071 166 R CB 0.064 30.460 30.300 0.160 0.000 1.116 166 R HN 0.345 nan 8.270 nan 0.000 0.524 167 L N 2.254 123.504 121.223 0.046 0.000 2.341 167 L HA 0.490 4.829 4.340 -0.001 0.000 0.267 167 L C -2.275 174.571 176.870 -0.040 0.000 1.009 167 L CA -2.260 52.577 54.840 -0.005 0.000 0.819 167 L CB 2.769 44.820 42.059 -0.013 0.000 1.323 167 L HN -0.217 nan 8.230 nan 0.000 0.425 168 P HA 0.086 nan 4.420 nan 0.000 0.271 168 P C -0.953 176.317 177.300 -0.051 0.000 1.216 168 P CA -0.219 62.835 63.100 -0.078 0.000 0.776 168 P CB 1.249 32.868 31.700 -0.135 0.000 0.881 169 S N 1.988 117.726 115.700 0.064 0.000 2.449 169 S HA 0.310 4.779 4.470 -0.001 0.000 0.310 169 S C -0.385 174.232 174.600 0.027 0.000 1.096 169 S CA -0.535 57.690 58.200 0.042 0.000 1.095 169 S CB 0.858 64.261 63.200 0.339 0.000 1.007 169 S HN 0.385 nan 8.310 nan 0.000 0.474 170 E N 1.937 121.936 120.200 -0.335 0.000 2.199 170 E HA 0.558 4.908 4.350 -0.001 0.000 0.269 170 E C -1.435 174.788 176.600 -0.627 0.000 0.899 170 E CA -0.504 55.752 56.400 -0.239 0.000 0.772 170 E CB 1.500 31.140 29.700 -0.101 0.000 1.155 170 E HN 0.407 nan 8.360 nan 0.000 0.408 171 F N 0.749 120.738 119.950 0.065 0.000 2.565 171 F HA 0.208 4.734 4.527 -0.001 0.000 0.313 171 F C 0.051 175.853 175.800 0.002 0.000 1.091 171 F CA -1.130 56.867 58.000 -0.005 0.000 0.915 171 F CB 1.442 40.396 39.000 -0.077 0.000 1.208 171 F HN 0.265 nan 8.300 nan 0.000 0.453 172 D N 3.114 123.605 120.400 0.152 0.000 2.352 172 D HA 0.200 4.840 4.640 -0.001 0.000 0.245 172 D C 0.493 176.882 176.300 0.148 0.000 1.224 172 D CA 0.278 54.356 54.000 0.129 0.000 0.879 172 D CB 0.852 41.717 40.800 0.108 0.000 1.057 172 D HN 0.585 nan 8.370 nan 0.000 0.491 173 L N 2.655 123.975 121.223 0.161 0.000 2.567 173 L HA -0.018 4.321 4.340 -0.001 0.000 0.225 173 L C 2.270 179.342 176.870 0.337 0.000 1.119 173 L CA -0.171 54.791 54.840 0.204 0.000 0.871 173 L CB -0.074 42.092 42.059 0.177 0.000 1.036 173 L HN 0.278 nan 8.230 nan 0.000 0.459 174 S N 1.436 117.286 115.700 0.251 0.000 2.406 174 S HA -0.329 4.140 4.470 -0.001 0.000 0.242 174 S C 1.890 176.615 174.600 0.209 0.000 1.079 174 S CA 2.043 60.366 58.200 0.205 0.000 1.133 174 S CB -0.267 63.009 63.200 0.127 0.000 1.005 174 S HN 0.580 nan 8.310 nan 0.000 0.443 175 A N -0.931 122.032 122.820 0.239 0.000 2.302 175 A HA 0.412 4.731 4.320 -0.001 0.000 0.219 175 A C 1.075 178.604 177.584 -0.090 0.000 1.243 175 A CA 0.146 52.216 52.037 0.055 0.000 0.856 175 A CB -0.388 18.578 19.000 -0.058 0.000 0.893 175 A HN 0.462 nan 8.150 nan 0.000 0.491 176 F N -0.995 118.997 119.950 0.070 0.000 2.711 176 F HA 0.361 4.887 4.527 -0.001 0.000 0.296 176 F C 0.689 176.524 175.800 0.059 0.000 1.096 176 F CA -0.340 57.701 58.000 0.068 0.000 1.280 176 F CB -0.007 39.040 39.000 0.077 0.000 1.060 176 F HN -0.040 nan 8.300 nan 0.000 0.608 177 L N 1.797 123.176 121.223 0.260 0.000 2.418 177 L HA 0.433 4.772 4.340 -0.001 0.000 0.265 177 L C 0.225 177.141 176.870 0.077 0.000 1.143 177 L CA -0.457 54.472 54.840 0.148 0.000 0.809 177 L CB 0.858 43.020 42.059 0.171 0.000 1.124 177 L HN 0.088 nan 8.230 nan 0.000 0.456 178 R N 1.565 122.073 120.500 0.013 0.000 2.837 178 R HA 0.804 5.143 4.340 -0.001 0.000 0.271 178 R C -1.018 175.261 176.300 -0.035 0.000 0.993 178 R CA -0.933 55.164 56.100 -0.006 0.000 0.931 178 R CB 1.492 31.777 30.300 -0.024 0.000 1.206 178 R HN 0.545 nan 8.270 nan 0.000 0.474 179 A N 1.403 124.211 122.820 -0.020 0.000 2.520 179 A HA 0.507 4.826 4.320 -0.001 0.000 0.245 179 A C 0.993 178.533 177.584 -0.074 0.000 1.072 179 A CA 0.998 53.015 52.037 -0.035 0.000 0.761 179 A CB -0.767 18.227 19.000 -0.010 0.000 1.004 179 A HN 1.358 nan 8.150 nan 0.000 0.499 180 G N 1.580 110.315 108.800 -0.108 0.000 2.482 180 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.214 180 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.214 180 G C -0.259 174.520 174.900 -0.203 0.000 1.271 180 G CA -0.125 44.898 45.100 -0.128 0.000 0.944 180 G HN 0.984 nan 8.290 nan 0.000 0.568 181 E N 1.134 121.222 120.200 -0.187 0.000 2.502 181 E HA 0.196 4.545 4.350 -0.001 0.000 0.261 181 E C 0.031 176.441 176.600 -0.317 0.000 0.974 181 E CA 0.525 56.777 56.400 -0.247 0.000 0.936 181 E CB 0.212 29.815 29.700 -0.162 0.000 0.926 181 E HN 0.419 nan 8.360 nan 0.000 0.459 182 N N 1.939 120.333 118.700 -0.510 0.000 2.494 182 N HA 0.357 5.096 4.740 -0.001 0.000 0.270 182 N C -1.170 174.098 175.510 -0.402 0.000 1.285 182 N CA -0.655 52.088 53.050 -0.512 0.000 0.812 182 N CB 2.333 40.319 38.487 -0.834 0.000 1.557 182 N HN 0.316 nan 8.380 nan 0.000 0.487 183 R N 1.350 121.778 120.500 -0.121 0.000 2.575 183 R HA 0.541 4.880 4.340 -0.001 0.000 0.293 183 R C -1.367 175.008 176.300 0.124 0.000 0.983 183 R CA -0.499 55.610 56.100 0.016 0.000 0.887 183 R CB 1.135 31.403 30.300 -0.052 0.000 1.184 183 R HN 0.467 nan 8.270 nan 0.000 0.445 184 L N 3.252 124.579 121.223 0.174 0.000 2.309 184 L HA 0.734 5.074 4.340 -0.001 0.000 0.282 184 L C -0.345 176.592 176.870 0.111 0.000 1.036 184 L CA -0.961 53.984 54.840 0.176 0.000 0.806 184 L CB 1.978 44.143 42.059 0.176 0.000 1.220 184 L HN 0.779 nan 8.230 nan 0.000 0.429 185 A N 3.726 126.618 122.820 0.120 0.000 2.311 185 A HA 0.716 5.035 4.320 -0.001 0.000 0.306 185 A C -0.890 176.960 177.584 0.444 0.000 1.189 185 A CA -0.437 51.569 52.037 -0.052 0.000 0.791 185 A CB 1.298 19.939 19.000 -0.598 0.000 1.172 185 A HN 0.392 nan 8.150 nan 0.000 0.481 186 V N 3.913 124.243 119.914 0.693 0.000 2.349 186 V HA 0.371 4.490 4.120 -0.001 0.000 0.284 186 V C -0.037 176.585 176.094 0.879 0.000 1.014 186 V CA -0.232 62.490 62.300 0.703 0.000 0.826 186 V CB 1.315 33.403 31.823 0.441 0.000 1.009 186 V HN 0.969 nan 8.190 nan 0.000 0.431 187 M N 6.066 126.210 119.600 0.907 0.000 2.077 187 M HA 0.496 4.976 4.480 -0.001 0.000 0.348 187 M C -1.244 175.331 176.300 0.459 0.000 1.252 187 M CA -0.253 55.414 55.300 0.612 0.000 1.096 187 M CB 0.910 33.906 32.600 0.661 0.000 1.568 187 M HN 0.450 nan 8.290 nan 0.000 0.456 188 V N 7.162 127.310 119.914 0.389 0.000 2.350 188 V HA 0.352 4.471 4.120 -0.001 0.000 0.276 188 V C -0.110 176.160 176.094 0.293 0.000 1.028 188 V CA -0.636 61.898 62.300 0.390 0.000 0.860 188 V CB 1.255 33.396 31.823 0.530 0.000 0.990 188 V HN 0.784 nan 8.190 nan 0.000 0.453 189 L N 5.150 126.478 121.223 0.176 0.000 2.276 189 L HA 0.508 4.847 4.340 -0.001 0.000 0.286 189 L C 1.574 178.483 176.870 0.065 0.000 1.061 189 L CA -0.344 54.517 54.840 0.035 0.000 0.807 189 L CB 1.020 42.989 42.059 -0.148 0.000 1.177 189 L HN 0.623 nan 8.230 nan 0.000 0.429 190 R N 2.889 123.388 120.500 -0.001 0.000 2.075 190 R HA -0.050 4.289 4.340 -0.001 0.000 0.232 190 R C -0.272 175.763 176.300 -0.442 0.000 1.126 190 R CA 1.247 57.140 56.100 -0.345 0.000 0.963 190 R CB 0.229 30.182 30.300 -0.578 0.000 0.858 190 R HN 0.574 nan 8.270 nan 0.000 0.435 191 W N -0.081 121.274 121.300 0.091 0.000 2.639 191 W HA 0.436 5.095 4.660 -0.001 0.000 0.347 191 W C -0.407 176.195 176.519 0.139 0.000 1.067 191 W CA -0.784 56.613 57.345 0.086 0.000 1.218 191 W CB 1.831 31.343 29.460 0.087 0.000 1.393 191 W HN 0.010 nan 8.180 nan 0.000 0.557 192 S N -1.343 114.624 115.700 0.445 0.000 2.627 192 S HA 0.093 4.563 4.470 -0.001 0.000 0.268 192 S C -0.045 174.758 174.600 0.338 0.000 1.130 192 S CA -0.422 58.042 58.200 0.441 0.000 0.819 192 S CB 1.036 64.481 63.200 0.409 0.000 1.100 192 S HN 0.657 nan 8.310 nan 0.000 0.465 193 D N 0.785 121.406 120.400 0.370 0.000 2.265 193 D HA 0.027 4.667 4.640 -0.001 0.000 0.208 193 D C 1.740 178.331 176.300 0.486 0.000 0.977 193 D CA 1.527 55.797 54.000 0.450 0.000 0.871 193 D CB -0.762 40.209 40.800 0.286 0.000 0.925 193 D HN 0.775 nan 8.370 nan 0.000 0.485 194 G N -0.319 108.686 108.800 0.342 0.000 2.509 194 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.218 194 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.218 194 G C 1.631 176.696 174.900 0.275 0.000 1.124 194 G CA 0.559 45.843 45.100 0.306 0.000 0.776 194 G HN 0.317 nan 8.290 nan 0.000 0.547 195 S N -0.070 115.760 115.700 0.217 0.000 2.447 195 S HA -0.063 4.406 4.470 -0.001 0.000 0.233 195 S C 1.820 176.479 174.600 0.099 0.000 1.006 195 S CA 0.467 58.765 58.200 0.164 0.000 0.957 195 S CB -0.328 62.973 63.200 0.168 0.000 0.773 195 S HN 0.503 nan 8.310 nan 0.000 0.507 196 Y N 1.259 121.656 120.300 0.161 0.000 2.421 196 Y HA 0.111 4.660 4.550 -0.001 0.000 0.292 196 Y C 1.632 177.618 175.900 0.144 0.000 1.136 196 Y CA 0.535 58.647 58.100 0.019 0.000 1.255 196 Y CB -0.258 38.096 38.460 -0.177 0.000 0.991 196 Y HN 0.225 nan 8.280 nan 0.000 0.552 197 L N -0.701 120.706 121.223 0.305 0.000 2.640 197 L HA 0.141 4.480 4.340 -0.001 0.000 0.230 197 L C 0.146 177.152 176.870 0.226 0.000 1.123 197 L CA 0.362 55.342 54.840 0.234 0.000 0.900 197 L CB 0.106 42.305 42.059 0.234 0.000 1.146 197 L HN 0.061 nan 8.230 nan 0.000 0.484 198 E N 0.370 120.719 120.200 0.247 0.000 3.269 198 E HA 0.037 4.386 4.350 -0.001 0.000 0.221 198 E C -0.519 176.205 176.600 0.208 0.000 1.113 198 E CA -0.096 56.439 56.400 0.224 0.000 1.385 198 E CB 0.386 30.209 29.700 0.205 0.000 1.345 198 E HN 0.047 nan 8.360 nan 0.000 0.435 199 D N 1.260 121.748 120.400 0.146 0.000 3.071 199 D HA 0.044 4.683 4.640 -0.001 0.000 0.259 199 D C -0.413 175.870 176.300 -0.030 0.000 1.331 199 D CA -0.224 53.764 54.000 -0.019 0.000 0.861 199 D CB 0.130 40.705 40.800 -0.375 0.000 1.059 199 D HN 0.020 nan 8.370 nan 0.000 0.486 200 Q N 0.283 120.153 119.800 0.116 0.000 2.340 200 Q HA 0.202 4.541 4.340 -0.001 0.000 0.249 200 Q C -0.252 175.839 176.000 0.151 0.000 0.957 200 Q CA -0.298 55.620 55.803 0.192 0.000 0.882 200 Q CB 0.952 29.963 28.738 0.455 0.000 1.235 200 Q HN 0.109 nan 8.270 nan 0.000 0.439 201 D N 2.837 123.332 120.400 0.158 0.000 2.541 201 D HA 0.147 4.787 4.640 -0.001 0.000 0.231 201 D C -0.794 175.632 176.300 0.209 0.000 1.163 201 D CA 0.121 54.197 54.000 0.127 0.000 1.077 201 D CB -0.399 40.452 40.800 0.086 0.000 1.110 201 D HN 0.465 nan 8.370 nan 0.000 0.499 202 M N -0.306 119.389 119.600 0.157 0.000 2.924 202 M HA 0.468 4.947 4.480 -0.001 0.000 0.271 202 M C -1.193 175.198 176.300 0.152 0.000 1.280 202 M CA -1.206 54.126 55.300 0.053 0.000 0.813 202 M CB 1.020 33.578 32.600 -0.070 0.000 1.658 202 M HN -0.117 nan 8.290 nan 0.000 0.467 203 W N 2.127 123.492 121.300 0.107 0.000 2.264 203 W HA 0.285 4.944 4.660 -0.001 0.000 0.331 203 W C 0.201 176.737 176.519 0.029 0.000 1.364 203 W CA -0.044 57.360 57.345 0.099 0.000 1.253 203 W CB 0.365 29.811 29.460 -0.023 0.000 1.215 203 W HN 0.287 nan 8.180 nan 0.000 0.561 204 R N 5.264 125.935 120.500 0.284 0.000 2.235 204 R HA 0.334 4.673 4.340 -0.001 0.000 0.338 204 R C -0.045 176.263 176.300 0.012 0.000 1.087 204 R CA -0.085 56.110 56.100 0.158 0.000 0.948 204 R CB -0.156 30.308 30.300 0.273 0.000 1.099 204 R HN 0.577 nan 8.270 nan 0.000 0.483 205 M N 0.249 119.752 119.600 -0.161 0.000 2.407 205 M HA 0.493 4.973 4.480 -0.001 0.000 0.235 205 M C 0.069 176.026 176.300 -0.572 0.000 0.846 205 M CA -0.675 54.407 55.300 -0.362 0.000 1.540 205 M CB 1.335 33.708 32.600 -0.380 0.000 1.274 205 M HN 0.630 nan 8.290 nan 0.000 0.802 206 S N -1.590 113.652 115.700 -0.764 0.000 2.688 206 S HA 0.720 5.189 4.470 -0.001 0.000 0.269 206 S C -0.642 173.394 174.600 -0.939 0.000 1.060 206 S CA -0.434 57.234 58.200 -0.887 0.000 0.844 206 S CB 0.824 63.369 63.200 -1.092 0.000 1.095 206 S HN 1.629 nan 8.310 nan 0.000 0.466 207 G N 0.102 108.588 108.800 -0.523 0.000 2.422 207 G HA2 0.142 4.101 3.960 -0.001 0.000 0.607 207 G HA3 0.142 4.101 3.960 -0.001 0.000 0.607 207 G C -1.135 173.738 174.900 -0.044 0.000 1.270 207 G CA -0.555 44.543 45.100 -0.003 0.000 0.992 207 G HN 1.428 nan 8.290 nan 0.000 0.499 208 I N 2.079 122.461 120.570 -0.313 0.000 2.241 208 I HA 0.251 4.420 4.170 -0.001 0.000 0.294 208 I C 1.250 177.218 176.117 -0.250 0.000 1.145 208 I CA -0.242 60.797 61.300 -0.436 0.000 1.261 208 I CB -0.252 37.239 38.000 -0.848 0.000 1.475 208 I HN 0.487 nan 8.210 nan 0.000 0.533 209 F N 3.400 123.179 119.950 -0.284 0.000 2.765 209 F HA 0.419 4.946 4.527 -0.001 0.000 0.302 209 F C 0.607 176.314 175.800 -0.155 0.000 1.111 209 F CA -0.608 57.261 58.000 -0.218 0.000 1.359 209 F CB -0.205 38.675 39.000 -0.200 0.000 1.097 209 F HN 0.129 nan 8.300 nan 0.000 0.577 210 R N 0.964 121.051 120.500 -0.688 0.000 2.744 210 R HA 0.192 4.531 4.340 -0.001 0.000 0.279 210 R C -0.735 175.353 176.300 -0.353 0.000 0.977 210 R CA -1.077 54.718 56.100 -0.508 0.000 0.906 210 R CB 1.293 31.183 30.300 -0.683 0.000 1.197 210 R HN 0.015 nan 8.270 nan 0.000 0.463 211 D N 1.297 121.558 120.400 -0.231 0.000 2.749 211 D HA -0.069 4.570 4.640 -0.001 0.000 0.222 211 D C -0.288 175.864 176.300 -0.246 0.000 1.131 211 D CA 0.833 54.721 54.000 -0.186 0.000 0.845 211 D CB 0.505 41.242 40.800 -0.106 0.000 1.196 211 D HN -0.003 nan 8.370 nan 0.000 0.503 212 V N 1.805 121.578 119.914 -0.236 0.000 2.448 212 V HA 0.398 4.517 4.120 -0.001 0.000 0.295 212 V C 0.207 176.162 176.094 -0.231 0.000 1.025 212 V CA -0.473 61.615 62.300 -0.354 0.000 0.859 212 V CB 1.856 33.475 31.823 -0.339 0.000 0.988 212 V HN 0.517 nan 8.190 nan 0.000 0.431 213 S N 4.170 119.721 115.700 -0.249 0.000 2.671 213 S HA 0.836 5.305 4.470 -0.001 0.000 0.299 213 S C -1.231 173.313 174.600 -0.094 0.000 1.116 213 S CA -0.635 57.489 58.200 -0.125 0.000 0.912 213 S CB 2.094 65.256 63.200 -0.063 0.000 1.130 213 S HN 0.465 nan 8.310 nan 0.000 0.501 214 L N 2.254 123.486 121.223 0.015 0.000 2.404 214 L HA 0.641 4.980 4.340 -0.001 0.000 0.272 214 L C -1.547 175.508 176.870 0.308 0.000 0.980 214 L CA -0.398 54.526 54.840 0.140 0.000 0.836 214 L CB 1.424 43.538 42.059 0.092 0.000 1.238 214 L HN 0.598 nan 8.230 nan 0.000 0.408 215 L N 4.496 125.871 121.223 0.254 0.000 2.341 215 L HA 0.544 4.883 4.340 -0.001 0.000 0.278 215 L C -1.114 175.794 176.870 0.063 0.000 1.005 215 L CA -0.137 54.797 54.840 0.157 0.000 0.818 215 L CB 1.268 43.381 42.059 0.089 0.000 1.259 215 L HN 0.594 nan 8.230 nan 0.000 0.418 216 H N 5.219 124.091 119.070 -0.330 0.000 2.511 216 H HA 0.505 5.061 4.556 -0.001 0.000 0.328 216 H C -1.339 173.775 175.328 -0.357 0.000 1.044 216 H CA -0.563 55.164 56.048 -0.534 0.000 1.212 216 H CB 1.160 30.082 29.762 -1.401 0.000 1.428 216 H HN 0.561 nan 8.280 nan 0.000 0.483 217 K N 5.419 125.563 120.400 -0.428 0.000 2.267 217 K HA 0.387 4.707 4.320 -0.001 0.000 0.246 217 K C -2.704 173.730 176.600 -0.277 0.000 0.954 217 K CA -2.057 54.076 56.287 -0.257 0.000 0.824 217 K CB 2.069 34.438 32.500 -0.219 0.000 1.167 217 K HN 0.457 nan 8.250 nan 0.000 0.431 218 P HA 0.113 nan 4.420 nan 0.000 0.272 218 P C 0.618 177.856 177.300 -0.104 0.000 1.240 218 P CA -0.099 62.956 63.100 -0.074 0.000 0.791 218 P CB 0.527 32.205 31.700 -0.037 0.000 0.978 219 T N -0.682 113.831 114.554 -0.068 0.000 2.674 219 T HA -0.061 4.289 4.350 -0.001 0.000 0.265 219 T C 0.592 175.251 174.700 -0.068 0.000 1.039 219 T CA 1.567 63.628 62.100 -0.065 0.000 1.150 219 T CB -0.625 68.222 68.868 -0.034 0.000 0.864 219 T HN 0.413 nan 8.240 nan 0.000 0.427 220 T N 3.904 118.426 114.554 -0.053 0.000 2.739 220 T HA 0.366 4.715 4.350 -0.001 0.000 0.298 220 T C -0.128 174.527 174.700 -0.074 0.000 0.929 220 T CA -0.413 61.646 62.100 -0.069 0.000 1.014 220 T CB 0.275 69.120 68.868 -0.039 0.000 0.914 220 T HN 0.475 nan 8.240 nan 0.000 0.509 221 Q N 2.670 122.407 119.800 -0.105 0.000 2.587 221 Q HA 0.670 5.009 4.340 -0.001 0.000 0.293 221 Q C -0.970 174.953 176.000 -0.129 0.000 1.083 221 Q CA -1.202 54.526 55.803 -0.125 0.000 0.792 221 Q CB 1.536 30.178 28.738 -0.160 0.000 1.484 221 Q HN 0.435 nan 8.270 nan 0.000 0.446 222 I N 2.418 122.882 120.570 -0.177 0.000 2.312 222 I HA 0.079 4.248 4.170 -0.001 0.000 0.291 222 I C 0.537 176.509 176.117 -0.242 0.000 1.031 222 I CA -0.238 60.968 61.300 -0.157 0.000 1.293 222 I CB 1.258 39.131 38.000 -0.212 0.000 1.403 222 I HN 0.893 nan 8.210 nan 0.000 0.484 223 S N 2.711 118.373 115.700 -0.063 0.000 2.517 223 S HA 0.182 4.651 4.470 -0.001 0.000 0.214 223 S C 0.103 174.847 174.600 0.239 0.000 0.991 223 S CA -0.201 58.017 58.200 0.031 0.000 0.906 223 S CB 0.173 63.385 63.200 0.019 0.000 0.789 223 S HN 0.726 nan 8.310 nan 0.000 0.513 224 D N -0.382 120.171 120.400 0.255 0.000 2.751 224 D HA 0.452 5.091 4.640 -0.001 0.000 0.236 224 D C -1.909 174.494 176.300 0.172 0.000 1.196 224 D CA -0.654 53.485 54.000 0.233 0.000 0.741 224 D CB 1.072 41.888 40.800 0.027 0.000 1.474 224 D HN 0.185 nan 8.370 nan 0.000 0.452 225 F N 0.329 120.198 119.950 -0.136 0.000 2.615 225 F HA 0.631 5.157 4.527 -0.001 0.000 0.312 225 F C -1.586 174.062 175.800 -0.254 0.000 1.119 225 F CA -0.774 57.103 58.000 -0.204 0.000 0.979 225 F CB 1.506 40.495 39.000 -0.020 0.000 1.266 225 F HN 0.149 nan 8.300 nan 0.000 0.444 226 H N 2.844 121.951 119.070 0.062 0.000 2.505 226 H HA 0.644 5.200 4.556 -0.001 0.000 0.338 226 H C -0.959 174.392 175.328 0.038 0.000 1.057 226 H CA -1.061 54.969 56.048 -0.030 0.000 1.202 226 H CB 2.366 32.102 29.762 -0.044 0.000 1.466 226 H HN 0.641 nan 8.280 nan 0.000 0.499 227 V N 2.371 122.361 119.914 0.126 0.000 2.394 227 V HA 0.632 4.752 4.120 -0.001 0.000 0.282 227 V C 0.272 176.354 176.094 -0.020 0.000 1.031 227 V CA -0.625 61.711 62.300 0.058 0.000 0.881 227 V CB 1.208 33.060 31.823 0.047 0.000 0.982 227 V HN 0.950 nan 8.190 nan 0.000 0.451 228 A N 3.528 126.313 122.820 -0.059 0.000 2.401 228 A HA 0.941 5.260 4.320 -0.001 0.000 0.310 228 A C -0.166 177.305 177.584 -0.187 0.000 1.075 228 A CA -0.529 51.450 52.037 -0.098 0.000 0.746 228 A CB 2.030 20.992 19.000 -0.063 0.000 1.277 228 A HN 0.906 nan 8.150 nan 0.000 0.425 229 T N -0.053 114.362 114.554 -0.231 0.000 2.965 229 T HA 0.668 5.018 4.350 -0.001 0.000 0.306 229 T C -0.652 173.759 174.700 -0.482 0.000 0.991 229 T CA -0.650 61.206 62.100 -0.407 0.000 1.001 229 T CB 0.734 69.253 68.868 -0.581 0.000 0.984 229 T HN 0.678 nan 8.240 nan 0.000 0.446 230 R N 2.275 122.478 120.500 -0.496 0.000 2.514 230 R HA 0.756 5.095 4.340 -0.001 0.000 0.301 230 R C -1.035 174.938 176.300 -0.545 0.000 0.962 230 R CA -0.743 55.139 56.100 -0.364 0.000 0.882 230 R CB 1.380 31.591 30.300 -0.148 0.000 1.143 230 R HN 0.518 nan 8.270 nan 0.000 0.452 231 F N 0.261 120.158 119.950 -0.089 0.000 2.594 231 F HA 0.380 4.906 4.527 -0.001 0.000 0.335 231 F C 0.614 176.251 175.800 -0.272 0.000 1.058 231 F CA -1.401 56.483 58.000 -0.193 0.000 0.981 231 F CB 0.615 39.388 39.000 -0.378 0.000 1.289 231 F HN 0.493 nan 8.300 nan 0.000 0.490 232 N N -0.617 118.054 118.700 -0.048 0.000 2.405 232 N HA 0.134 4.873 4.740 -0.001 0.000 0.269 232 N C 0.355 175.731 175.510 -0.223 0.000 1.249 232 N CA -0.327 52.667 53.050 -0.094 0.000 0.974 232 N CB 0.117 38.581 38.487 -0.038 0.000 1.204 232 N HN 0.605 nan 8.380 nan 0.000 0.565 233 D N -1.287 119.036 120.400 -0.127 0.000 2.190 233 D HA -0.256 4.383 4.640 -0.001 0.000 0.200 233 D C 0.330 176.604 176.300 -0.043 0.000 0.992 233 D CA 1.577 55.515 54.000 -0.103 0.000 0.854 233 D CB -0.536 40.257 40.800 -0.011 0.000 0.936 233 D HN 0.776 nan 8.370 nan 0.000 0.462 234 D N -1.129 119.283 120.400 0.019 0.000 2.368 234 D HA -0.022 4.618 4.640 -0.001 0.000 0.218 234 D C 0.036 176.537 176.300 0.334 0.000 1.112 234 D CA -0.732 53.387 54.000 0.199 0.000 0.834 234 D CB -0.619 40.262 40.800 0.134 0.000 0.953 234 D HN 0.171 nan 8.370 nan 0.000 0.505 235 F N 1.107 121.092 119.950 0.059 0.000 3.084 235 F HA -0.285 4.241 4.527 -0.001 0.000 0.286 235 F C 1.740 177.594 175.800 0.091 0.000 0.855 235 F CA 0.782 58.821 58.000 0.065 0.000 1.091 235 F CB -2.636 36.298 39.000 -0.108 0.000 1.177 235 F HN 0.141 nan 8.300 nan 0.000 0.542 236 S N -1.732 114.070 115.700 0.169 0.000 2.458 236 S HA 0.199 4.669 4.470 -0.001 0.000 0.223 236 S C 0.840 175.491 174.600 0.086 0.000 1.019 236 S CA 0.141 58.409 58.200 0.113 0.000 0.937 236 S CB 0.450 63.694 63.200 0.075 0.000 0.788 236 S HN 0.455 nan 8.310 nan 0.000 0.511 237 R N 0.399 120.952 120.500 0.088 0.000 2.807 237 R HA 0.827 5.166 4.340 -0.001 0.000 0.276 237 R C -1.381 174.964 176.300 0.075 0.000 0.979 237 R CA -0.359 55.769 56.100 0.046 0.000 0.928 237 R CB 2.243 32.548 30.300 0.009 0.000 1.191 237 R HN 0.307 nan 8.270 nan 0.000 0.471 238 A N 1.295 124.108 122.820 -0.011 0.000 2.574 238 A HA 0.587 4.907 4.320 -0.001 0.000 0.297 238 A C -1.453 176.064 177.584 -0.112 0.000 1.062 238 A CA -0.604 51.357 52.037 -0.128 0.000 0.686 238 A CB 1.906 20.825 19.000 -0.135 0.000 1.285 238 A HN 0.344 nan 8.150 nan 0.000 0.403 239 V N 2.245 122.060 119.914 -0.165 0.000 2.409 239 V HA 0.454 4.574 4.120 -0.001 0.000 0.291 239 V C -0.235 175.795 176.094 -0.107 0.000 1.020 239 V CA -0.375 61.865 62.300 -0.099 0.000 0.848 239 V CB 1.325 33.091 31.823 -0.094 0.000 0.990 239 V HN 0.814 nan 8.190 nan 0.000 0.430 240 L N 4.395 125.593 121.223 -0.042 0.000 2.276 240 L HA 0.576 4.916 4.340 -0.001 0.000 0.286 240 L C 0.051 176.881 176.870 -0.066 0.000 1.061 240 L CA 0.040 54.832 54.840 -0.080 0.000 0.807 240 L CB 1.059 43.100 42.059 -0.030 0.000 1.177 240 L HN 0.754 nan 8.230 nan 0.000 0.429 241 E N 4.092 124.247 120.200 -0.076 0.000 2.165 241 E HA 0.625 4.974 4.350 -0.001 0.000 0.266 241 E C -1.306 175.288 176.600 -0.010 0.000 0.889 241 E CA -0.698 55.677 56.400 -0.041 0.000 0.756 241 E CB 1.673 31.346 29.700 -0.044 0.000 1.131 241 E HN 0.700 nan 8.360 nan 0.000 0.411 242 A N 4.685 127.511 122.820 0.010 0.000 2.310 242 A HA 0.272 4.591 4.320 -0.001 0.000 0.304 242 A C -0.613 177.000 177.584 0.049 0.000 1.231 242 A CA -0.631 51.437 52.037 0.052 0.000 0.799 242 A CB 0.929 19.959 19.000 0.050 0.000 1.162 242 A HN 0.693 nan 8.150 nan 0.000 0.486 243 E N 2.714 122.961 120.200 0.078 0.000 2.200 243 E HA 0.505 4.855 4.350 -0.001 0.000 0.283 243 E C -1.232 175.395 176.600 0.045 0.000 1.015 243 E CA -0.246 56.188 56.400 0.055 0.000 0.819 243 E CB 1.009 30.765 29.700 0.093 0.000 1.081 243 E HN 0.392 nan 8.360 nan 0.000 0.397 244 V N 4.711 124.651 119.914 0.043 0.000 2.604 244 V HA 0.314 4.433 4.120 -0.001 0.000 0.305 244 V C -0.469 175.716 176.094 0.152 0.000 1.043 244 V CA -0.830 61.523 62.300 0.088 0.000 0.888 244 V CB 1.754 33.606 31.823 0.047 0.000 0.995 244 V HN 0.710 nan 8.190 nan 0.000 0.429 245 Q N 4.259 124.145 119.800 0.144 0.000 2.365 245 Q HA 0.833 5.172 4.340 -0.001 0.000 0.269 245 Q C -0.822 175.240 176.000 0.103 0.000 1.061 245 Q CA -0.833 55.047 55.803 0.129 0.000 0.816 245 Q CB 2.804 31.553 28.738 0.018 0.000 1.325 245 Q HN 0.847 nan 8.270 nan 0.000 0.446 246 M N -0.843 118.737 119.600 -0.032 0.000 2.755 246 M HA 0.857 5.337 4.480 -0.001 0.000 0.298 246 M C -1.266 174.919 176.300 -0.192 0.000 1.251 246 M CA -0.368 54.822 55.300 -0.182 0.000 0.817 246 M CB 1.807 34.078 32.600 -0.548 0.000 1.760 246 M HN 0.583 nan 8.290 nan 0.000 0.473 247 C N -0.051 119.143 119.300 -0.178 0.000 3.080 247 C HA 1.020 5.479 4.460 -0.001 0.000 0.307 247 C C 0.573 175.478 174.990 -0.143 0.000 1.311 247 C CA 0.376 59.314 59.018 -0.134 0.000 1.533 247 C CB 1.143 28.834 27.740 -0.082 0.000 1.970 247 C HN 1.452 nan 8.230 nan 0.000 0.467 248 G N 1.502 110.236 108.800 -0.111 0.000 2.472 248 G HA2 0.055 4.014 3.960 -0.001 0.000 0.205 248 G HA3 0.055 4.014 3.960 -0.001 0.000 0.205 248 G C -0.959 173.877 174.900 -0.107 0.000 1.270 248 G CA -0.251 44.792 45.100 -0.095 0.000 0.974 248 G HN 0.886 nan 8.290 nan 0.000 0.542 249 E N 0.005 120.151 120.200 -0.090 0.000 2.299 249 E HA 0.523 4.873 4.350 -0.001 0.000 0.272 249 E C 0.516 177.024 176.600 -0.154 0.000 1.043 249 E CA -0.178 56.167 56.400 -0.093 0.000 0.895 249 E CB 0.467 30.138 29.700 -0.049 0.000 1.011 249 E HN 0.532 nan 8.360 nan 0.000 0.432 250 L N 5.599 126.721 121.223 -0.169 0.000 2.305 250 L HA 0.445 4.784 4.340 -0.001 0.000 0.281 250 L C 0.187 176.919 176.870 -0.231 0.000 1.085 250 L CA -0.361 54.346 54.840 -0.222 0.000 0.813 250 L CB 0.514 42.462 42.059 -0.185 0.000 1.157 250 L HN 0.444 nan 8.230 nan 0.000 0.436 251 R N 1.787 122.085 120.500 -0.337 0.000 2.668 251 R HA 0.200 4.540 4.340 -0.001 0.000 0.272 251 R C -0.257 175.787 176.300 -0.426 0.000 1.019 251 R CA -0.721 55.087 56.100 -0.486 0.000 0.894 251 R CB 1.575 31.244 30.300 -1.051 0.000 1.228 251 R HN 0.567 nan 8.270 nan 0.000 0.460 252 D N 0.619 120.855 120.400 -0.273 0.000 2.178 252 D HA -0.178 4.461 4.640 -0.001 0.000 0.202 252 D C 1.417 177.673 176.300 -0.073 0.000 0.974 252 D CA 1.452 55.385 54.000 -0.113 0.000 0.841 252 D CB -0.256 40.528 40.800 -0.027 0.000 0.953 252 D HN 0.648 nan 8.370 nan 0.000 0.478 253 Y N 0.524 120.838 120.300 0.022 0.000 2.680 253 Y HA 0.135 4.684 4.550 -0.001 0.000 0.303 253 Y C 0.365 176.269 175.900 0.007 0.000 1.166 253 Y CA -0.249 57.861 58.100 0.017 0.000 1.344 253 Y CB -1.127 37.343 38.460 0.017 0.000 1.002 253 Y HN -0.083 nan 8.280 nan 0.000 0.537 254 L N 2.642 123.821 121.223 -0.072 0.000 2.417 254 L HA 0.354 4.694 4.340 -0.001 0.000 0.268 254 L C 0.220 177.076 176.870 -0.023 0.000 1.158 254 L CA -0.173 54.682 54.840 0.025 0.000 0.819 254 L CB 0.652 42.743 42.059 0.053 0.000 1.112 254 L HN 0.189 nan 8.230 nan 0.000 0.458 255 R N 1.989 122.361 120.500 -0.212 0.000 2.739 255 R HA 0.672 5.012 4.340 -0.001 0.000 0.271 255 R C -1.657 174.299 176.300 -0.572 0.000 1.010 255 R CA -0.769 55.057 56.100 -0.456 0.000 0.897 255 R CB 2.271 32.218 30.300 -0.587 0.000 1.236 255 R HN 0.270 nan 8.270 nan 0.000 0.466 256 V N 0.919 120.565 119.914 -0.447 0.000 2.638 256 V HA 0.479 4.599 4.120 -0.001 0.000 0.306 256 V C -0.584 175.470 176.094 -0.067 0.000 1.052 256 V CA -0.582 61.555 62.300 -0.272 0.000 0.885 256 V CB 2.338 33.905 31.823 -0.427 0.000 0.999 256 V HN 0.749 nan 8.190 nan 0.000 0.424 257 T N 4.033 118.636 114.554 0.082 0.000 2.864 257 T HA 0.472 4.821 4.350 -0.001 0.000 0.299 257 T C -0.483 174.235 174.700 0.030 0.000 1.011 257 T CA -0.338 61.813 62.100 0.084 0.000 0.975 257 T CB 1.398 70.347 68.868 0.136 0.000 0.962 257 T HN 0.325 nan 8.240 nan 0.000 0.448 258 V N 4.363 124.277 119.914 -0.000 0.000 2.383 258 V HA 0.571 4.690 4.120 -0.001 0.000 0.275 258 V C 0.256 176.362 176.094 0.020 0.000 1.036 258 V CA -0.670 61.632 62.300 0.003 0.000 0.889 258 V CB 1.178 32.993 31.823 -0.013 0.000 0.985 258 V HN 1.017 nan 8.190 nan 0.000 0.459 259 S N 5.504 121.245 115.700 0.068 0.000 2.500 259 S HA 0.781 5.250 4.470 -0.001 0.000 0.301 259 S C -0.969 173.683 174.600 0.088 0.000 1.092 259 S CA -0.768 57.458 58.200 0.042 0.000 1.030 259 S CB 2.044 65.316 63.200 0.119 0.000 1.031 259 S HN 0.477 nan 8.310 nan 0.000 0.483 260 L N 2.893 124.086 121.223 -0.051 0.000 2.272 260 L HA 0.688 5.027 4.340 -0.001 0.000 0.289 260 L C -1.763 175.081 176.870 -0.044 0.000 1.032 260 L CA -0.439 54.451 54.840 0.082 0.000 0.810 260 L CB 0.284 42.409 42.059 0.110 0.000 1.205 260 L HN 0.841 nan 8.230 nan 0.000 0.422 261 W N 4.060 125.467 121.300 0.178 0.000 2.529 261 W HA 0.548 5.207 4.660 -0.001 0.000 0.321 261 W C -0.445 176.142 176.519 0.114 0.000 1.047 261 W CA -0.541 56.877 57.345 0.121 0.000 1.216 261 W CB 1.405 30.888 29.460 0.039 0.000 1.357 261 W HN 0.407 nan 8.180 nan 0.000 0.489 262 Q N 3.027 122.945 119.800 0.196 0.000 2.506 262 Q HA 0.530 4.869 4.340 -0.001 0.000 0.242 262 Q C 0.582 176.589 176.000 0.012 0.000 1.060 262 Q CA 0.381 56.119 55.803 -0.108 0.000 0.826 262 Q CB 0.563 29.172 28.738 -0.215 0.000 1.169 262 Q HN 0.752 nan 8.270 nan 0.000 0.521 263 G N 3.308 112.129 108.800 0.034 0.000 2.561 263 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.289 263 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.289 263 G C 0.442 175.427 174.900 0.142 0.000 1.169 263 G CA 0.240 45.368 45.100 0.047 0.000 0.980 263 G HN 0.547 nan 8.290 nan 0.000 0.550 264 E N 1.318 121.594 120.200 0.127 0.000 2.442 264 E HA 0.135 4.484 4.350 -0.001 0.000 0.195 264 E C 1.296 178.101 176.600 0.342 0.000 1.030 264 E CA 0.930 57.443 56.400 0.188 0.000 0.869 264 E CB -0.053 29.703 29.700 0.093 0.000 0.857 264 E HN 0.487 nan 8.360 nan 0.000 0.505 265 T N 1.262 115.953 114.554 0.228 0.000 2.904 265 T HA 0.157 4.506 4.350 -0.001 0.000 0.290 265 T C 0.261 174.931 174.700 -0.049 0.000 1.018 265 T CA -0.238 61.921 62.100 0.098 0.000 1.075 265 T CB 1.497 70.377 68.868 0.020 0.000 0.986 265 T HN -0.072 nan 8.240 nan 0.000 0.523 266 Q N 2.479 122.049 119.800 -0.384 0.000 2.506 266 Q HA 0.310 4.650 4.340 -0.001 0.000 0.242 266 Q C 1.122 176.872 176.000 -0.417 0.000 1.060 266 Q CA -0.474 54.809 55.803 -0.866 0.000 0.826 266 Q CB 0.747 28.729 28.738 -1.260 0.000 1.169 266 Q HN 0.707 nan 8.270 nan 0.000 0.521 267 V N 0.765 120.534 119.914 -0.242 0.000 2.490 267 V HA 0.183 4.302 4.120 -0.001 0.000 0.250 267 V C 0.546 176.563 176.094 -0.128 0.000 1.061 267 V CA 1.418 63.655 62.300 -0.105 0.000 1.064 267 V CB -0.573 31.276 31.823 0.044 0.000 0.670 267 V HN 0.568 nan 8.190 nan 0.000 0.461 268 A N -1.364 121.350 122.820 -0.176 0.000 2.601 268 A HA 0.782 5.101 4.320 -0.001 0.000 0.291 268 A C -0.580 176.909 177.584 -0.158 0.000 1.075 268 A CA 0.201 52.157 52.037 -0.136 0.000 0.671 268 A CB 1.432 20.385 19.000 -0.078 0.000 1.277 268 A HN 0.982 nan 8.150 nan 0.000 0.417 269 S N -0.844 114.790 115.700 -0.111 0.000 2.548 269 S HA 0.703 5.172 4.470 -0.001 0.000 0.278 269 S C -0.595 173.973 174.600 -0.054 0.000 1.150 269 S CA 0.271 58.419 58.200 -0.088 0.000 0.907 269 S CB 1.318 64.451 63.200 -0.112 0.000 1.108 269 S HN 2.323 nan 8.310 nan 0.000 0.459 270 G N 1.935 110.714 108.800 -0.035 0.000 2.620 270 G HA2 0.689 4.649 3.960 -0.001 0.000 0.301 270 G HA3 0.689 4.649 3.960 -0.001 0.000 0.301 270 G C -1.233 173.657 174.900 -0.016 0.000 1.347 270 G CA -0.477 44.606 45.100 -0.028 0.000 0.971 270 G HN 0.720 nan 8.290 nan 0.000 0.488 271 T N -0.231 114.317 114.554 -0.011 0.000 2.900 271 T HA 0.857 5.207 4.350 -0.001 0.000 0.295 271 T C -0.364 174.317 174.700 -0.031 0.000 1.044 271 T CA -0.075 62.029 62.100 0.006 0.000 0.995 271 T CB 1.875 70.778 68.868 0.059 0.000 1.072 271 T HN 1.586 nan 8.240 nan 0.000 0.473 272 A N 3.192 125.967 122.820 -0.076 0.000 2.599 272 A HA 0.850 5.169 4.320 -0.001 0.000 0.294 272 A C -3.168 174.303 177.584 -0.189 0.000 1.055 272 A CA -1.407 50.567 52.037 -0.105 0.000 0.683 272 A CB 1.229 20.167 19.000 -0.103 0.000 1.278 272 A HN 0.537 nan 8.150 nan 0.000 0.412 273 P HA 0.569 nan 4.420 nan 0.000 0.281 273 P C -0.580 176.612 177.300 -0.180 0.000 1.264 273 P CA -0.295 62.714 63.100 -0.151 0.000 0.824 273 P CB 0.461 32.134 31.700 -0.044 0.000 1.092 274 F N 0.152 120.067 119.950 -0.059 0.000 2.545 274 F HA 0.414 4.940 4.527 -0.001 0.000 0.348 274 F C 1.596 177.383 175.800 -0.023 0.000 1.163 274 F CA 1.784 59.760 58.000 -0.040 0.000 1.331 274 F CB -0.099 38.870 39.000 -0.052 0.000 1.138 274 F HN 0.611 nan 8.300 nan 0.000 0.602 275 G N 1.556 110.480 108.800 0.207 0.000 2.594 275 G HA2 0.350 4.309 3.960 -0.001 0.000 0.422 275 G HA3 0.350 4.309 3.960 -0.001 0.000 0.422 275 G C -0.296 174.660 174.900 0.093 0.000 1.190 275 G CA -0.736 44.438 45.100 0.123 0.000 1.234 275 G HN 1.053 nan 8.290 nan 0.000 0.584 276 G N 0.890 109.766 108.800 0.127 0.000 2.611 276 G HA2 0.626 4.585 3.960 -0.001 0.000 0.273 276 G HA3 0.626 4.585 3.960 -0.001 0.000 0.273 276 G C 0.490 175.439 174.900 0.081 0.000 1.305 276 G CA 0.084 45.250 45.100 0.110 0.000 1.010 276 G HN 0.943 nan 8.290 nan 0.000 0.509 277 E N -0.581 119.661 120.200 0.071 0.000 2.371 277 E HA 0.139 4.488 4.350 -0.001 0.000 0.257 277 E C -0.029 176.604 176.600 0.054 0.000 1.134 277 E CA -0.571 55.858 56.400 0.049 0.000 0.919 277 E CB 1.019 30.740 29.700 0.036 0.000 1.025 277 E HN 0.322 nan 8.360 nan 0.000 0.438 278 I N 2.036 122.625 120.570 0.032 0.000 2.598 278 I HA -0.065 4.104 4.170 -0.001 0.000 0.284 278 I C 1.434 177.568 176.117 0.028 0.000 1.140 278 I CA 0.263 61.575 61.300 0.021 0.000 1.420 278 I CB 0.154 38.159 38.000 0.009 0.000 1.387 278 I HN 0.562 nan 8.210 nan 0.000 0.553 279 I N 1.907 122.494 120.570 0.028 0.000 4.032 279 I HA 0.295 4.465 4.170 -0.001 0.000 0.313 279 I C -0.143 175.984 176.117 0.017 0.000 1.272 279 I CA 0.039 61.362 61.300 0.040 0.000 1.307 279 I CB 0.491 38.544 38.000 0.090 0.000 1.155 279 I HN 0.608 nan 8.210 nan 0.000 0.431 280 D N -0.374 120.024 120.400 -0.004 0.000 2.768 280 D HA 0.158 4.797 4.640 -0.001 0.000 0.327 280 D C 0.181 176.470 176.300 -0.019 0.000 1.302 280 D CA -0.530 53.464 54.000 -0.010 0.000 0.897 280 D CB 0.696 41.489 40.800 -0.011 0.000 1.420 280 D HN -0.120 nan 8.370 nan 0.000 0.494 281 E N -1.011 119.179 120.200 -0.017 0.000 2.273 281 E HA -0.109 4.241 4.350 -0.001 0.000 0.198 281 E C 1.249 177.833 176.600 -0.026 0.000 1.002 281 E CA 1.038 57.428 56.400 -0.018 0.000 0.828 281 E CB -0.044 29.648 29.700 -0.014 0.000 0.747 281 E HN 0.215 nan 8.360 nan 0.000 0.491 282 R N -0.511 119.966 120.500 -0.039 0.000 2.317 282 R HA 0.273 4.612 4.340 -0.001 0.000 0.208 282 R C 0.946 177.209 176.300 -0.062 0.000 0.914 282 R CA 0.713 56.782 56.100 -0.051 0.000 1.060 282 R CB 0.496 30.757 30.300 -0.065 0.000 1.015 282 R HN 0.235 nan 8.270 nan 0.000 0.498 283 G N -0.566 108.202 108.800 -0.054 0.000 2.594 283 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.217 283 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.217 283 G C -0.128 174.734 174.900 -0.063 0.000 1.163 283 G CA -0.548 44.522 45.100 -0.050 0.000 1.074 283 G HN 0.560 nan 8.290 nan 0.000 0.589 284 G N -2.081 106.672 108.800 -0.078 0.000 2.721 284 G HA2 0.633 4.593 3.960 -0.001 0.000 0.296 284 G HA3 0.633 4.593 3.960 -0.001 0.000 0.296 284 G C -1.579 173.242 174.900 -0.132 0.000 1.383 284 G CA -0.532 44.525 45.100 -0.072 0.000 0.788 284 G HN 0.863 nan 8.290 nan 0.000 0.500 285 Y N 1.321 121.636 120.300 0.025 0.000 2.584 285 Y HA 0.388 4.938 4.550 -0.001 0.000 0.351 285 Y C 1.558 177.484 175.900 0.042 0.000 1.030 285 Y CA 0.435 58.553 58.100 0.031 0.000 1.332 285 Y CB 1.397 39.883 38.460 0.044 0.000 1.148 285 Y HN 0.577 nan 8.280 nan 0.000 0.528 286 A N 2.016 124.897 122.820 0.103 0.000 2.119 286 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 286 A C 1.345 178.987 177.584 0.096 0.000 1.153 286 A CA 1.171 53.258 52.037 0.083 0.000 0.692 286 A CB -0.246 18.763 19.000 0.015 0.000 0.799 286 A HN 0.770 nan 8.150 nan 0.000 0.458 287 D N -0.623 119.835 120.400 0.097 0.000 2.587 287 D HA 0.178 4.817 4.640 -0.001 0.000 0.233 287 D C 0.306 176.682 176.300 0.126 0.000 1.213 287 D CA -0.085 53.896 54.000 -0.031 0.000 0.827 287 D CB -0.072 40.692 40.800 -0.059 0.000 1.006 287 D HN 0.370 nan 8.370 nan 0.000 0.490 288 R N -1.101 119.613 120.500 0.356 0.000 2.734 288 R HA 0.702 5.042 4.340 -0.001 0.000 0.271 288 R C -1.825 174.658 176.300 0.304 0.000 1.021 288 R CA -1.096 55.222 56.100 0.364 0.000 0.893 288 R CB 2.743 33.134 30.300 0.152 0.000 1.244 288 R HN -0.009 nan 8.270 nan 0.000 0.464 289 V N 0.311 120.292 119.914 0.112 0.000 3.023 289 V HA 0.503 4.622 4.120 -0.001 0.000 0.294 289 V C -1.661 174.406 176.094 -0.045 0.000 1.324 289 V CA -0.269 62.007 62.300 -0.040 0.000 0.979 289 V CB 2.733 34.386 31.823 -0.282 0.000 1.093 289 V HN 0.823 nan 8.190 nan 0.000 0.434 290 T N 7.311 121.845 114.554 -0.035 0.000 2.812 290 T HA 0.621 4.970 4.350 -0.001 0.000 0.282 290 T C -0.950 173.728 174.700 -0.037 0.000 0.990 290 T CA -0.444 61.642 62.100 -0.023 0.000 0.960 290 T CB 1.147 70.013 68.868 -0.003 0.000 0.948 290 T HN 0.457 nan 8.240 nan 0.000 0.438 291 L N 3.447 124.648 121.223 -0.036 0.000 2.322 291 L HA 0.586 4.926 4.340 -0.001 0.000 0.279 291 L C 0.465 177.318 176.870 -0.028 0.000 1.036 291 L CA -0.454 54.363 54.840 -0.038 0.000 0.807 291 L CB 1.272 43.306 42.059 -0.042 0.000 1.226 291 L HN 0.568 nan 8.230 nan 0.000 0.433 292 R N 4.001 124.483 120.500 -0.030 0.000 2.435 292 R HA 0.623 4.962 4.340 -0.001 0.000 0.308 292 R C -1.104 175.177 176.300 -0.031 0.000 0.975 292 R CA -0.629 55.452 56.100 -0.031 0.000 0.867 292 R CB 1.870 32.151 30.300 -0.032 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.470 293 L N 2.453 123.659 121.223 -0.028 0.000 2.325 293 L HA 0.461 4.800 4.340 -0.001 0.000 0.278 293 L C 0.067 176.920 176.870 -0.028 0.000 1.023 293 L CA -1.147 53.677 54.840 -0.027 0.000 0.811 293 L CB 1.391 43.439 42.059 -0.018 0.000 1.249 293 L HN 0.443 nan 8.230 nan 0.000 0.431 294 N N 1.479 120.156 118.700 -0.038 0.000 2.509 294 N HA 0.516 5.256 4.740 -0.001 0.000 0.287 294 N C -0.937 174.537 175.510 -0.060 0.000 1.121 294 N CA -0.312 52.711 53.050 -0.045 0.000 0.977 294 N CB 2.570 41.031 38.487 -0.043 0.000 1.167 294 N HN 0.189 nan 8.380 nan 0.000 0.476 295 V N 1.598 121.462 119.914 -0.083 0.000 2.567 295 V HA 0.168 4.288 4.120 -0.001 0.000 0.298 295 V C -0.491 175.530 176.094 -0.122 0.000 1.047 295 V CA -0.838 61.373 62.300 -0.148 0.000 0.880 295 V CB 1.951 33.583 31.823 -0.319 0.000 1.009 295 V HN 0.484 nan 8.190 nan 0.000 0.429 296 E N 3.744 123.892 120.200 -0.086 0.000 2.266 296 E HA 0.350 4.699 4.350 -0.001 0.000 0.277 296 E C 0.062 176.635 176.600 -0.044 0.000 1.018 296 E CA -0.445 55.927 56.400 -0.047 0.000 0.840 296 E CB 0.762 30.445 29.700 -0.029 0.000 1.082 296 E HN 0.692 nan 8.360 nan 0.000 0.395 297 N N 1.535 120.230 118.700 -0.008 0.000 2.669 297 N HA -0.127 4.612 4.740 -0.001 0.000 0.266 297 N C -2.260 173.242 175.510 -0.013 0.000 1.024 297 N CA 0.414 53.472 53.050 0.012 0.000 0.766 297 N CB -1.263 37.233 38.487 0.015 0.000 0.898 297 N HN 0.364 nan 8.380 nan 0.000 0.548 298 P HA 0.114 nan 4.420 nan 0.000 0.274 298 P C -0.166 177.142 177.300 0.013 0.000 1.231 298 P CA -0.059 62.929 63.100 -0.186 0.000 0.790 298 P CB 0.985 32.362 31.700 -0.538 0.000 0.951 299 K N 2.356 122.847 120.400 0.151 0.000 2.292 299 K HA 0.278 4.597 4.320 -0.001 0.000 0.290 299 K C 0.246 177.002 176.600 0.260 0.000 1.083 299 K CA -0.348 56.059 56.287 0.200 0.000 0.918 299 K CB -0.041 32.598 32.500 0.232 0.000 1.089 299 K HN 0.406 nan 8.250 nan 0.000 0.473 300 L N 2.379 123.679 121.223 0.128 0.000 2.461 300 L HA 0.167 4.507 4.340 -0.001 0.000 0.272 300 L C 0.212 177.149 176.870 0.113 0.000 1.197 300 L CA -0.462 54.449 54.840 0.118 0.000 0.836 300 L CB 0.214 42.174 42.059 -0.165 0.000 1.105 300 L HN 0.595 nan 8.230 nan 0.000 0.477 301 W N 3.232 124.556 121.300 0.040 0.000 2.438 301 W HA 0.488 5.147 4.660 -0.001 0.000 0.324 301 W C -0.053 176.429 176.519 -0.062 0.000 1.119 301 W CA 0.087 57.450 57.345 0.030 0.000 1.221 301 W CB 1.357 30.890 29.460 0.121 0.000 1.253 301 W HN 0.647 nan 8.180 nan 0.000 0.555 302 S N 2.695 117.777 115.700 -1.031 0.000 2.636 302 S HA 0.607 5.076 4.470 -0.001 0.000 0.268 302 S C -0.063 173.720 174.600 -1.361 0.000 1.159 302 S CA -0.364 57.303 58.200 -0.889 0.000 0.815 302 S CB 1.000 64.000 63.200 -0.333 0.000 1.130 302 S HN 1.039 nan 8.310 nan 0.000 0.471 303 A N 0.222 122.420 122.820 -1.038 0.000 2.119 303 A HA 0.142 4.462 4.320 -0.001 0.000 0.217 303 A C 1.704 178.979 177.584 -0.515 0.000 1.153 303 A CA 1.236 52.710 52.037 -0.940 0.000 0.692 303 A CB -0.843 17.471 19.000 -1.144 0.000 0.799 303 A HN 0.843 nan 8.150 nan 0.000 0.458 304 E N -0.711 119.310 120.200 -0.300 0.000 2.051 304 E HA 0.086 4.435 4.350 -0.001 0.000 0.189 304 E C -0.276 176.191 176.600 -0.221 0.000 0.979 304 E CA 0.716 57.009 56.400 -0.179 0.000 0.803 304 E CB 0.060 29.790 29.700 0.051 0.000 0.761 304 E HN 0.584 nan 8.360 nan 0.000 0.451 305 I N 1.818 122.230 120.570 -0.264 0.000 2.542 305 I HA 0.155 4.324 4.170 -0.001 0.000 0.278 305 I C -2.431 173.466 176.117 -0.367 0.000 1.069 305 I CA -1.855 59.308 61.300 -0.230 0.000 1.100 305 I CB 2.227 40.144 38.000 -0.139 0.000 1.204 305 I HN -0.185 nan 8.210 nan 0.000 0.470 306 P HA 0.024 nan 4.420 nan 0.000 0.232 306 P C -0.584 176.743 177.300 0.044 0.000 1.738 306 P CA -0.160 62.692 63.100 -0.413 0.000 0.948 306 P CB -0.304 31.312 31.700 -0.141 0.000 1.943 307 N N 1.686 120.427 118.700 0.069 0.000 2.440 307 N HA 0.097 4.837 4.740 -0.001 0.000 0.265 307 N C 0.198 175.964 175.510 0.428 0.000 1.239 307 N CA 0.508 53.680 53.050 0.203 0.000 0.909 307 N CB 0.719 39.317 38.487 0.184 0.000 1.066 307 N HN 0.326 nan 8.380 nan 0.000 0.474 308 L N 2.392 123.800 121.223 0.308 0.000 2.323 308 L HA 0.522 4.862 4.340 -0.001 0.000 0.265 308 L C -0.735 176.299 176.870 0.273 0.000 1.012 308 L CA -0.891 54.170 54.840 0.369 0.000 0.820 308 L CB 1.184 43.404 42.059 0.268 0.000 1.334 308 L HN 0.360 nan 8.230 nan 0.000 0.427 309 Y N -0.082 120.363 120.300 0.241 0.000 2.662 309 Y HA 0.634 5.183 4.550 -0.001 0.000 0.335 309 Y C -0.349 175.667 175.900 0.193 0.000 1.066 309 Y CA -0.959 57.288 58.100 0.245 0.000 1.116 309 Y CB 1.738 40.413 38.460 0.357 0.000 1.308 309 Y HN 0.353 nan 8.280 nan 0.000 0.502 310 R N 1.099 121.824 120.500 0.376 0.000 2.439 310 R HA 0.804 5.143 4.340 -0.001 0.000 0.310 310 R C -1.626 174.854 176.300 0.300 0.000 0.955 310 R CA -0.570 55.685 56.100 0.259 0.000 0.853 310 R CB 1.020 31.415 30.300 0.158 0.000 1.171 310 R HN 0.727 nan 8.270 nan 0.000 0.449 311 A N 3.966 126.911 122.820 0.207 0.000 2.260 311 A HA 0.594 4.913 4.320 -0.001 0.000 0.314 311 A C -1.009 176.636 177.584 0.101 0.000 1.257 311 A CA -0.621 51.519 52.037 0.172 0.000 0.871 311 A CB 1.134 20.208 19.000 0.124 0.000 1.166 311 A HN 0.482 nan 8.150 nan 0.000 0.522 312 V N 4.052 124.033 119.914 0.111 0.000 2.378 312 V HA 0.295 4.414 4.120 -0.001 0.000 0.288 312 V C -0.270 175.806 176.094 -0.030 0.000 1.016 312 V CA -0.502 61.806 62.300 0.014 0.000 0.840 312 V CB 1.514 33.348 31.823 0.017 0.000 0.994 312 V HN 0.621 nan 8.190 nan 0.000 0.431 313 V N 5.033 124.857 119.914 -0.150 0.000 2.364 313 V HA 0.384 4.504 4.120 -0.001 0.000 0.272 313 V C 0.096 176.132 176.094 -0.097 0.000 1.036 313 V CA -0.494 61.696 62.300 -0.184 0.000 0.880 313 V CB 1.050 32.607 31.823 -0.444 0.000 0.991 313 V HN 0.907 nan 8.190 nan 0.000 0.460 314 E N 3.988 124.182 120.200 -0.010 0.000 2.145 314 E HA 0.474 4.823 4.350 -0.001 0.000 0.270 314 E C -0.989 175.689 176.600 0.130 0.000 0.906 314 E CA -0.824 55.617 56.400 0.068 0.000 0.761 314 E CB 2.273 32.036 29.700 0.105 0.000 1.116 314 E HN 0.484 nan 8.360 nan 0.000 0.408 315 L N 5.001 126.280 121.223 0.094 0.000 2.255 315 L HA 0.371 4.711 4.340 -0.001 0.000 0.289 315 L C -0.910 176.043 176.870 0.138 0.000 1.046 315 L CA 0.130 55.020 54.840 0.082 0.000 0.816 315 L CB -0.277 41.822 42.059 0.068 0.000 1.197 315 L HN 0.675 nan 8.230 nan 0.000 0.427 316 H N 0.497 119.609 119.070 0.070 0.000 3.015 316 H HA 0.859 5.414 4.556 -0.001 0.000 0.282 316 H C -0.743 174.659 175.328 0.123 0.000 1.508 316 H CA -0.452 55.641 56.048 0.076 0.000 1.209 316 H CB 0.767 30.554 29.762 0.042 0.000 1.869 316 H HN 0.437 nan 8.280 nan 0.000 0.591 317 T N -2.350 112.344 114.554 0.234 0.000 2.943 317 T HA 0.573 4.922 4.350 -0.001 0.000 0.284 317 T C 1.334 176.194 174.700 0.267 0.000 1.015 317 T CA -0.447 61.786 62.100 0.221 0.000 1.042 317 T CB 1.645 70.601 68.868 0.147 0.000 1.055 317 T HN 0.919 nan 8.240 nan 0.000 0.500 318 A N 1.298 124.234 122.820 0.194 0.000 1.978 318 A HA -0.098 4.222 4.320 -0.001 0.000 0.220 318 A C 1.764 179.432 177.584 0.140 0.000 1.170 318 A CA 1.824 53.961 52.037 0.166 0.000 0.636 318 A CB -1.147 17.929 19.000 0.127 0.000 0.810 318 A HN 0.987 nan 8.150 nan 0.000 0.448 319 D N -1.933 118.527 120.400 0.101 0.000 2.371 319 D HA 0.277 4.916 4.640 -0.001 0.000 0.234 319 D C 1.090 177.421 176.300 0.052 0.000 1.049 319 D CA 0.901 54.933 54.000 0.053 0.000 0.907 319 D CB -0.739 40.067 40.800 0.010 0.000 0.891 319 D HN 0.807 nan 8.370 nan 0.000 0.531 320 G N -0.889 107.970 108.800 0.099 0.000 2.157 320 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.239 320 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.239 320 G C 0.254 175.171 174.900 0.027 0.000 0.982 320 G CA 0.218 45.337 45.100 0.031 0.000 0.650 320 G HN 0.445 nan 8.290 nan 0.000 0.527 321 T N 1.687 116.292 114.554 0.086 0.000 2.761 321 T HA 0.494 4.843 4.350 -0.001 0.000 0.296 321 T C 0.381 175.153 174.700 0.120 0.000 0.934 321 T CA -0.243 61.897 62.100 0.066 0.000 1.091 321 T CB 1.875 70.766 68.868 0.039 0.000 0.896 321 T HN 0.593 nan 8.240 nan 0.000 0.515 322 L N 4.713 125.980 121.223 0.074 0.000 2.416 322 L HA 0.312 4.652 4.340 -0.001 0.000 0.272 322 L C 0.709 177.632 176.870 0.087 0.000 1.161 322 L CA 0.427 55.324 54.840 0.096 0.000 0.845 322 L CB 0.040 42.123 42.059 0.040 0.000 1.119 322 L HN 0.712 nan 8.230 nan 0.000 0.464 323 I N 2.388 123.019 120.570 0.103 0.000 3.039 323 I HA 0.209 4.378 4.170 -0.001 0.000 0.270 323 I C 0.291 176.431 176.117 0.039 0.000 1.150 323 I CA 0.310 61.650 61.300 0.067 0.000 1.448 323 I CB 0.296 38.341 38.000 0.075 0.000 1.197 323 I HN 0.813 nan 8.210 nan 0.000 0.450 324 E N 0.464 120.689 120.200 0.042 0.000 2.389 324 E HA 0.592 4.942 4.350 -0.001 0.000 0.281 324 E C -1.955 174.663 176.600 0.029 0.000 1.111 324 E CA -0.802 55.610 56.400 0.021 0.000 0.869 324 E CB 1.485 31.165 29.700 -0.034 0.000 1.259 324 E HN -0.008 nan 8.360 nan 0.000 0.434 325 A N 2.346 125.203 122.820 0.060 0.000 2.449 325 A HA 0.723 5.042 4.320 -0.001 0.000 0.302 325 A C -1.151 176.521 177.584 0.147 0.000 1.048 325 A CA -0.711 51.365 52.037 0.066 0.000 0.708 325 A CB 1.871 20.910 19.000 0.066 0.000 1.274 325 A HN 0.503 nan 8.150 nan 0.000 0.410 326 E N -0.162 120.056 120.200 0.029 0.000 2.336 326 E HA 0.829 5.178 4.350 -0.001 0.000 0.267 326 E C -0.445 176.165 176.600 0.016 0.000 0.906 326 E CA -0.496 55.958 56.400 0.089 0.000 0.781 326 E CB 2.459 32.067 29.700 -0.153 0.000 1.261 326 E HN 1.129 nan 8.360 nan 0.000 0.436 327 A N 0.083 123.043 122.820 0.233 0.000 2.581 327 A HA 0.804 5.123 4.320 -0.001 0.000 0.290 327 A C -1.183 176.586 177.584 0.309 0.000 1.119 327 A CA -0.348 51.772 52.037 0.138 0.000 0.670 327 A CB 0.987 20.011 19.000 0.041 0.000 1.280 327 A HN 0.902 nan 8.150 nan 0.000 0.425 328 C N -0.716 118.723 119.300 0.231 0.000 3.307 328 C HA 0.733 5.193 4.460 -0.001 0.000 0.333 328 C C -1.579 173.501 174.990 0.149 0.000 1.291 328 C CA -0.975 58.175 59.018 0.221 0.000 1.273 328 C CB 0.900 28.798 27.740 0.264 0.000 1.580 328 C HN 0.832 nan 8.230 nan 0.000 0.481 329 D N 1.125 121.593 120.400 0.114 0.000 2.302 329 D HA 0.532 5.171 4.640 -0.001 0.000 0.248 329 D C -0.292 176.053 176.300 0.075 0.000 1.094 329 D CA 0.185 54.254 54.000 0.116 0.000 0.897 329 D CB 1.901 42.771 40.800 0.118 0.000 1.200 329 D HN 0.559 nan 8.370 nan 0.000 0.429 330 V N 0.714 120.696 119.914 0.114 0.000 2.604 330 V HA 0.661 4.780 4.120 -0.001 0.000 0.305 330 V C 0.529 176.667 176.094 0.074 0.000 1.043 330 V CA -0.838 61.469 62.300 0.012 0.000 0.888 330 V CB 2.092 33.886 31.823 -0.049 0.000 0.995 330 V HN 0.640 nan 8.190 nan 0.000 0.429 331 G N 2.922 111.673 108.800 -0.082 0.000 2.605 331 G HA2 0.594 4.554 3.960 -0.001 0.000 0.304 331 G HA3 0.594 4.554 3.960 -0.001 0.000 0.304 331 G C -0.941 174.029 174.900 0.116 0.000 1.333 331 G CA -0.398 44.746 45.100 0.074 0.000 0.973 331 G HN 0.418 nan 8.290 nan 0.000 0.507 332 F N 3.779 123.899 119.950 0.284 0.000 2.487 332 F HA 0.356 4.882 4.527 -0.001 0.000 0.364 332 F C 1.272 177.361 175.800 0.483 0.000 1.126 332 F CA -0.008 58.232 58.000 0.399 0.000 1.135 332 F CB 0.520 39.754 39.000 0.390 0.000 1.127 332 F HN 0.447 nan 8.300 nan 0.000 0.559 333 R N 3.078 123.943 120.500 0.608 0.000 2.643 333 R HA 0.434 4.774 4.340 -0.001 0.000 0.269 333 R C -1.787 174.757 176.300 0.406 0.000 1.037 333 R CA -0.791 55.528 56.100 0.364 0.000 0.894 333 R CB 1.873 32.416 30.300 0.405 0.000 1.238 333 R HN 0.581 nan 8.270 nan 0.000 0.459 334 E N 2.803 123.153 120.200 0.251 0.000 2.165 334 E HA 0.386 4.736 4.350 -0.001 0.000 0.266 334 E C -1.324 175.399 176.600 0.206 0.000 0.889 334 E CA -0.836 55.768 56.400 0.340 0.000 0.756 334 E CB 2.147 32.109 29.700 0.436 0.000 1.131 334 E HN 0.414 nan 8.360 nan 0.000 0.411 335 V N 5.761 125.774 119.914 0.165 0.000 2.384 335 V HA 0.556 4.675 4.120 -0.001 0.000 0.287 335 V C -0.248 175.902 176.094 0.094 0.000 1.020 335 V CA -0.573 61.788 62.300 0.102 0.000 0.850 335 V CB 1.222 33.082 31.823 0.063 0.000 0.987 335 V HN 0.709 nan 8.190 nan 0.000 0.436 336 R N 4.416 124.965 120.500 0.082 0.000 2.594 336 R HA 0.638 4.978 4.340 -0.001 0.000 0.265 336 R C -1.979 174.355 176.300 0.056 0.000 1.070 336 R CA -0.861 55.284 56.100 0.075 0.000 0.909 336 R CB 1.598 31.954 30.300 0.094 0.000 1.243 336 R HN 0.522 nan 8.270 nan 0.000 0.455 337 I N 2.390 122.990 120.570 0.050 0.000 2.304 337 I HA 0.268 4.437 4.170 -0.001 0.000 0.291 337 I C -0.266 175.876 176.117 0.041 0.000 1.018 337 I CA -0.173 61.149 61.300 0.037 0.000 1.260 337 I CB 1.375 39.398 38.000 0.038 0.000 1.390 337 I HN 0.673 nan 8.210 nan 0.000 0.475 338 E N 6.640 126.861 120.200 0.035 0.000 2.246 338 E HA 0.211 4.561 4.350 -0.001 0.000 0.266 338 E C -0.322 176.294 176.600 0.026 0.000 0.880 338 E CA -0.647 55.774 56.400 0.036 0.000 0.762 338 E CB 1.138 30.865 29.700 0.046 0.000 1.180 338 E HN 0.575 nan 8.360 nan 0.000 0.416 339 N N 3.290 122.005 118.700 0.024 0.000 2.740 339 N HA -0.226 4.513 4.740 -0.001 0.000 0.248 339 N C 0.491 176.008 175.510 0.012 0.000 1.062 339 N CA 1.979 55.040 53.050 0.018 0.000 0.704 339 N CB -1.214 37.283 38.487 0.016 0.000 0.968 339 N HN 0.983 nan 8.380 nan 0.000 0.547 340 G N -2.032 106.775 108.800 0.013 0.000 2.179 340 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.260 340 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.260 340 G C -0.016 174.881 174.900 -0.004 0.000 0.977 340 G CA 0.597 45.701 45.100 0.006 0.000 0.641 340 G HN 0.476 nan 8.290 nan 0.000 0.533 341 L N 0.138 121.359 121.223 -0.004 0.000 2.346 341 L HA 0.677 5.017 4.340 -0.001 0.000 0.274 341 L C 0.078 176.940 176.870 -0.014 0.000 1.007 341 L CA -1.317 53.513 54.840 -0.017 0.000 0.818 341 L CB 1.809 43.858 42.059 -0.017 0.000 1.284 341 L HN 0.084 nan 8.230 nan 0.000 0.424 342 L N 4.604 125.807 121.223 -0.034 0.000 2.325 342 L HA 0.369 4.708 4.340 -0.001 0.000 0.284 342 L C -0.685 176.164 176.870 -0.035 0.000 1.089 342 L CA 0.372 55.192 54.840 -0.033 0.000 0.836 342 L CB 0.137 42.161 42.059 -0.059 0.000 1.184 342 L HN 0.368 nan 8.230 nan 0.000 0.444 343 L N 6.021 127.243 121.223 -0.002 0.000 2.307 343 L HA 0.444 4.783 4.340 -0.001 0.000 0.284 343 L C -0.576 176.313 176.870 0.031 0.000 1.023 343 L CA -0.648 54.202 54.840 0.016 0.000 0.810 343 L CB 1.722 43.812 42.059 0.053 0.000 1.231 343 L HN 0.453 nan 8.230 nan 0.000 0.423 344 L N 5.265 126.511 121.223 0.038 0.000 2.316 344 L HA 0.395 4.735 4.340 -0.001 0.000 0.280 344 L C -0.380 176.548 176.870 0.095 0.000 1.006 344 L CA -0.061 54.824 54.840 0.076 0.000 0.836 344 L CB 0.850 42.947 42.059 0.062 0.000 1.221 344 L HN 0.774 nan 8.230 nan 0.000 0.418 345 N N 4.264 122.938 118.700 -0.043 0.000 2.738 345 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 345 N C 1.101 176.338 175.510 -0.454 0.000 1.047 345 N CA 1.192 53.942 53.050 -0.500 0.000 0.707 345 N CB -1.174 36.874 38.487 -0.732 0.000 0.937 345 N HN 1.116 nan 8.380 nan 0.000 0.545 346 G N -1.927 106.877 108.800 0.007 0.000 2.284 346 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.261 346 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.261 346 G C 0.064 174.992 174.900 0.047 0.000 0.997 346 G CA 1.025 46.186 45.100 0.101 0.000 0.621 346 G HN 0.403 nan 8.290 nan 0.000 0.534 347 K N 1.317 121.734 120.400 0.029 0.000 2.138 347 K HA 0.519 4.839 4.320 -0.001 0.000 0.263 347 K C -2.590 173.984 176.600 -0.043 0.000 0.965 347 K CA -2.435 53.834 56.287 -0.030 0.000 0.868 347 K CB 2.046 34.461 32.500 -0.141 0.000 1.083 347 K HN 0.157 nan 8.250 nan 0.000 0.443 348 P HA 0.175 nan 4.420 nan 0.000 0.281 348 P C -0.173 177.060 177.300 -0.112 0.000 1.286 348 P CA -0.187 62.868 63.100 -0.076 0.000 0.772 348 P CB 0.550 32.211 31.700 -0.065 0.000 0.862 349 L N 3.679 124.828 121.223 -0.124 0.000 2.466 349 L HA 0.297 4.636 4.340 -0.001 0.000 0.257 349 L C 0.742 177.515 176.870 -0.163 0.000 1.189 349 L CA -0.569 54.180 54.840 -0.152 0.000 0.813 349 L CB 0.267 42.193 42.059 -0.221 0.000 1.118 349 L HN 0.287 nan 8.230 nan 0.000 0.471 350 L N 3.182 124.316 121.223 -0.149 0.000 2.492 350 L HA 0.383 4.722 4.340 -0.001 0.000 0.258 350 L C -0.511 176.270 176.870 -0.149 0.000 1.028 350 L CA -0.247 54.482 54.840 -0.185 0.000 0.900 350 L CB 0.777 42.757 42.059 -0.131 0.000 1.191 350 L HN 0.241 nan 8.230 nan 0.000 0.459 351 I N 4.313 124.735 120.570 -0.247 0.000 2.576 351 I HA 0.083 4.253 4.170 -0.001 0.000 0.288 351 I C 0.699 176.717 176.117 -0.164 0.000 1.126 351 I CA 0.509 61.671 61.300 -0.230 0.000 1.362 351 I CB -0.163 37.596 38.000 -0.402 0.000 1.419 351 I HN 0.534 nan 8.210 nan 0.000 0.533 352 R N 4.887 125.390 120.500 0.005 0.000 3.171 352 R HA 0.443 4.782 4.340 -0.001 0.000 0.241 352 R C 0.605 176.950 176.300 0.074 0.000 1.421 352 R CA -0.256 55.902 56.100 0.097 0.000 1.444 352 R CB 0.711 30.911 30.300 -0.166 0.000 1.247 352 R HN 0.758 nan 8.270 nan 0.000 0.636 353 G N 0.061 108.854 108.800 -0.012 0.000 2.667 353 G HA2 0.626 4.585 3.960 -0.001 0.000 0.310 353 G HA3 0.626 4.585 3.960 -0.001 0.000 0.310 353 G C -1.326 173.828 174.900 0.423 0.000 1.259 353 G CA -0.466 44.649 45.100 0.025 0.000 1.019 353 G HN 0.224 nan 8.290 nan 0.000 0.496 354 V N -0.413 119.755 119.914 0.423 0.000 3.120 354 V HA 0.475 4.594 4.120 -0.001 0.000 0.303 354 V C -1.335 174.894 176.094 0.224 0.000 1.238 354 V CA -1.201 61.276 62.300 0.294 0.000 1.008 354 V CB 2.284 34.036 31.823 -0.119 0.000 1.064 354 V HN 0.759 nan 8.190 nan 0.000 0.434 355 N N 3.951 122.699 118.700 0.080 0.000 2.518 355 N HA 0.456 5.195 4.740 -0.001 0.000 0.283 355 N C -0.740 174.566 175.510 -0.340 0.000 1.119 355 N CA -0.326 52.631 53.050 -0.155 0.000 0.983 355 N CB 1.538 39.895 38.487 -0.216 0.000 1.139 355 N HN 0.628 nan 8.380 nan 0.000 0.465 356 R N 2.062 122.329 120.500 -0.390 0.000 2.507 356 R HA 0.182 4.521 4.340 -0.001 0.000 0.298 356 R C -1.025 175.040 176.300 -0.391 0.000 1.087 356 R CA -0.545 55.346 56.100 -0.349 0.000 0.917 356 R CB 0.567 30.645 30.300 -0.371 0.000 1.173 356 R HN 0.582 nan 8.270 nan 0.000 0.472 357 H N 2.327 121.236 119.070 -0.269 0.000 2.562 357 H HA 0.099 4.655 4.556 -0.001 0.000 0.352 357 H C -0.398 174.924 175.328 -0.011 0.000 1.125 357 H CA 0.267 56.254 56.048 -0.103 0.000 1.379 357 H CB 1.335 31.083 29.762 -0.023 0.000 1.464 357 H HN 0.563 nan 8.280 nan 0.000 0.563 358 E N 2.782 123.145 120.200 0.272 0.000 1.932 358 E HA 0.063 4.413 4.350 -0.001 0.000 0.275 358 E C -0.522 176.216 176.600 0.230 0.000 1.159 358 E CA 0.016 56.510 56.400 0.156 0.000 0.905 358 E CB 0.250 30.050 29.700 0.167 0.000 1.059 358 E HN 0.411 nan 8.360 nan 0.000 0.400 359 H N 1.704 120.819 119.070 0.075 0.000 2.759 359 H HA 0.240 4.796 4.556 -0.001 0.000 0.354 359 H C -1.526 173.825 175.328 0.039 0.000 1.074 359 H CA -0.657 55.425 56.048 0.057 0.000 1.226 359 H CB 1.122 30.906 29.762 0.035 0.000 1.648 359 H HN 0.386 nan 8.280 nan 0.000 0.529 360 H N 6.379 125.094 119.070 -0.591 0.000 2.609 360 H HA 0.209 4.764 4.556 -0.001 0.000 0.344 360 H C -2.199 172.769 175.328 -0.601 0.000 1.040 360 H CA -2.433 53.361 56.048 -0.423 0.000 1.216 360 H CB 2.651 32.272 29.762 -0.236 0.000 1.529 360 H HN 0.572 nan 8.280 nan 0.000 0.519 361 P HA -0.084 nan 4.420 nan 0.000 0.223 361 P C 0.860 178.096 177.300 -0.107 0.000 1.144 361 P CA 0.896 63.858 63.100 -0.230 0.000 0.783 361 P CB 0.822 32.407 31.700 -0.192 0.000 0.771 362 L N -2.507 118.799 121.223 0.138 0.000 2.730 362 L HA 0.208 4.547 4.340 -0.001 0.000 0.236 362 L C 2.077 179.000 176.870 0.088 0.000 1.061 362 L CA 0.159 55.038 54.840 0.065 0.000 0.898 362 L CB -0.364 41.714 42.059 0.031 0.000 1.270 362 L HN -0.036 nan 8.230 nan 0.000 0.500 363 H N -0.096 118.909 119.070 -0.109 0.000 2.529 363 H HA 0.279 4.834 4.556 -0.001 0.000 0.277 363 H C 1.437 176.640 175.328 -0.208 0.000 1.004 363 H CA 0.055 55.945 56.048 -0.263 0.000 1.167 363 H CB 0.589 30.044 29.762 -0.512 0.000 1.445 363 H HN 0.388 nan 8.280 nan 0.000 0.554 364 G N 1.845 110.568 108.800 -0.129 0.000 2.557 364 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.292 364 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.292 364 G C 0.427 175.219 174.900 -0.179 0.000 1.162 364 G CA 0.259 45.218 45.100 -0.235 0.000 0.964 364 G HN 0.481 nan 8.290 nan 0.000 0.541 365 Q N 0.033 119.761 119.800 -0.121 0.000 2.206 365 Q HA 0.519 4.859 4.340 -0.001 0.000 0.265 365 Q C -0.346 175.721 176.000 0.111 0.000 0.866 365 Q CA -0.215 55.567 55.803 -0.036 0.000 1.073 365 Q CB 1.608 30.248 28.738 -0.164 0.000 1.165 365 Q HN 0.356 nan 8.270 nan 0.000 0.465 366 V N 1.825 121.793 119.914 0.091 0.000 2.350 366 V HA 0.292 4.411 4.120 -0.001 0.000 0.276 366 V C 0.096 176.252 176.094 0.104 0.000 1.028 366 V CA -0.378 61.995 62.300 0.122 0.000 0.860 366 V CB 1.084 32.918 31.823 0.017 0.000 0.990 366 V HN 0.413 nan 8.190 nan 0.000 0.453 367 M N 5.027 124.695 119.600 0.113 0.000 2.342 367 M HA 0.503 4.983 4.480 -0.001 0.000 0.332 367 M C -0.280 176.011 176.300 -0.015 0.000 1.166 367 M CA -0.234 55.094 55.300 0.048 0.000 1.086 367 M CB 1.506 34.098 32.600 -0.014 0.000 1.541 367 M HN 0.838 nan 8.290 nan 0.000 0.462 368 D N -0.149 120.247 120.400 -0.007 0.000 2.661 368 D HA 0.184 4.823 4.640 -0.001 0.000 0.228 368 D C 0.065 176.368 176.300 0.005 0.000 1.183 368 D CA -0.480 53.520 54.000 -0.000 0.000 0.844 368 D CB 1.607 42.449 40.800 0.070 0.000 1.555 368 D HN 0.692 nan 8.370 nan 0.000 0.453 369 E N 0.566 120.775 120.200 0.015 0.000 2.070 369 E HA -0.311 4.038 4.350 -0.001 0.000 0.197 369 E C 1.685 178.332 176.600 0.078 0.000 1.004 369 E CA 1.687 58.117 56.400 0.051 0.000 0.805 369 E CB 0.186 29.931 29.700 0.075 0.000 0.744 369 E HN 0.532 nan 8.360 nan 0.000 0.451 370 Q N -0.578 119.272 119.800 0.084 0.000 2.061 370 Q HA -0.167 4.172 4.340 -0.001 0.000 0.204 370 Q C 2.143 178.201 176.000 0.097 0.000 0.984 370 Q CA 2.331 58.188 55.803 0.090 0.000 0.846 370 Q CB -0.034 28.760 28.738 0.094 0.000 0.902 370 Q HN 0.290 nan 8.270 nan 0.000 0.421 371 T N 0.641 115.265 114.554 0.116 0.000 2.788 371 T HA -0.160 4.190 4.350 -0.001 0.000 0.268 371 T C 1.766 176.546 174.700 0.134 0.000 1.044 371 T CA 1.419 63.594 62.100 0.124 0.000 1.139 371 T CB -0.124 68.842 68.868 0.163 0.000 0.867 371 T HN 0.282 nan 8.240 nan 0.000 0.454 372 M N 0.551 120.240 119.600 0.148 0.000 2.059 372 M HA -0.105 4.374 4.480 -0.001 0.000 0.259 372 M C 2.512 178.911 176.300 0.165 0.000 1.072 372 M CA 1.481 56.934 55.300 0.256 0.000 1.117 372 M CB -0.805 31.971 32.600 0.294 0.000 1.320 372 M HN 0.082 nan 8.290 nan 0.000 0.408 373 V N 0.536 120.480 119.914 0.050 0.000 2.324 373 V HA -0.334 3.785 4.120 -0.001 0.000 0.250 373 V C 2.357 178.408 176.094 -0.071 0.000 1.060 373 V CA 2.309 64.553 62.300 -0.092 0.000 1.042 373 V CB -1.126 30.683 31.823 -0.022 0.000 0.650 373 V HN 0.583 nan 8.190 nan 0.000 0.450 374 Q N 0.043 119.864 119.800 0.035 0.000 1.975 374 Q HA -0.284 4.055 4.340 -0.001 0.000 0.205 374 Q C 2.085 178.151 176.000 0.110 0.000 0.990 374 Q CA 2.378 58.224 55.803 0.071 0.000 0.845 374 Q CB -0.268 28.526 28.738 0.094 0.000 0.913 374 Q HN 0.621 nan 8.270 nan 0.000 0.420 375 D N 0.525 121.030 120.400 0.176 0.000 2.106 375 D HA -0.203 4.437 4.640 -0.001 0.000 0.191 375 D C 1.999 178.298 176.300 -0.003 0.000 0.997 375 D CA 1.551 55.702 54.000 0.253 0.000 0.834 375 D CB -0.371 40.591 40.800 0.269 0.000 0.956 375 D HN 0.400 nan 8.370 nan 0.000 0.448 376 I N 0.647 121.175 120.570 -0.070 0.000 2.194 376 I HA -0.268 3.901 4.170 -0.001 0.000 0.246 376 I C 2.493 178.480 176.117 -0.217 0.000 1.093 376 I CA 0.768 61.915 61.300 -0.256 0.000 1.355 376 I CB -0.229 37.481 38.000 -0.483 0.000 1.046 376 I HN 0.029 nan 8.210 nan 0.000 0.413 377 L N 0.061 121.203 121.223 -0.134 0.000 2.027 377 L HA -0.218 4.121 4.340 -0.001 0.000 0.206 377 L C 2.605 179.540 176.870 0.107 0.000 1.074 377 L CA 1.347 56.199 54.840 0.021 0.000 0.745 377 L CB -0.592 41.502 42.059 0.059 0.000 0.898 377 L HN 0.274 nan 8.230 nan 0.000 0.433 378 L N -0.810 120.499 121.223 0.143 0.000 2.012 378 L HA -0.287 4.052 4.340 -0.001 0.000 0.210 378 L C 2.731 179.738 176.870 0.227 0.000 1.073 378 L CA 1.546 56.545 54.840 0.266 0.000 0.748 378 L CB -0.366 41.972 42.059 0.465 0.000 0.891 378 L HN 0.288 nan 8.230 nan 0.000 0.431 379 M N -0.530 119.035 119.600 -0.058 0.000 2.082 379 M HA -0.274 4.205 4.480 -0.001 0.000 0.258 379 M C 2.306 178.653 176.300 0.078 0.000 1.071 379 M CA 1.968 57.132 55.300 -0.227 0.000 1.103 379 M CB -0.406 31.849 32.600 -0.574 0.000 1.307 379 M HN 0.067 nan 8.290 nan 0.000 0.409 380 K N -0.162 120.193 120.400 -0.075 0.000 2.147 380 K HA -0.195 4.124 4.320 -0.001 0.000 0.205 380 K C 1.988 178.530 176.600 -0.097 0.000 1.049 380 K CA 1.333 57.467 56.287 -0.255 0.000 0.936 380 K CB -0.253 31.872 32.500 -0.625 0.000 0.722 380 K HN 0.476 nan 8.250 nan 0.000 0.446 381 Q N 0.340 120.251 119.800 0.184 0.000 2.224 381 Q HA -0.039 4.300 4.340 -0.001 0.000 0.203 381 Q C 0.737 177.004 176.000 0.445 0.000 0.970 381 Q CA 0.739 56.755 55.803 0.355 0.000 0.865 381 Q CB 0.164 29.080 28.738 0.296 0.000 0.922 381 Q HN 0.261 nan 8.270 nan 0.000 0.445 382 N N 1.030 119.962 118.700 0.387 0.000 2.380 382 N HA 0.048 4.788 4.740 -0.001 0.000 0.255 382 N C -0.836 174.824 175.510 0.250 0.000 1.158 382 N CA 0.028 53.318 53.050 0.400 0.000 0.878 382 N CB 0.596 39.394 38.487 0.518 0.000 1.138 382 N HN 0.146 nan 8.380 nan 0.000 0.509 383 N N 0.393 119.227 118.700 0.222 0.000 2.738 383 N HA -0.207 4.532 4.740 -0.001 0.000 0.249 383 N C -1.001 174.482 175.510 -0.045 0.000 1.047 383 N CA 0.936 54.087 53.050 0.169 0.000 0.707 383 N CB -1.755 36.799 38.487 0.112 0.000 0.937 383 N HN 0.281 nan 8.380 nan 0.000 0.545 384 F N 0.608 120.572 119.950 0.023 0.000 2.425 384 F HA 0.395 4.921 4.527 -0.001 0.000 0.331 384 F C 1.615 177.394 175.800 -0.033 0.000 1.085 384 F CA -0.764 57.227 58.000 -0.015 0.000 1.028 384 F CB 1.207 40.156 39.000 -0.086 0.000 1.177 384 F HN 0.075 nan 8.300 nan 0.000 0.487 385 N N 0.417 119.217 118.700 0.168 0.000 2.118 385 N HA 0.436 5.175 4.740 -0.001 0.000 0.226 385 N C -0.909 174.650 175.510 0.081 0.000 1.305 385 N CA -0.015 53.069 53.050 0.057 0.000 0.890 385 N CB 0.774 39.346 38.487 0.142 0.000 1.118 385 N HN 0.468 nan 8.380 nan 0.000 0.511 386 A N -0.427 122.494 122.820 0.168 0.000 2.587 386 A HA 0.806 5.125 4.320 -0.001 0.000 0.293 386 A C -1.676 176.091 177.584 0.305 0.000 1.087 386 A CA -0.710 51.479 52.037 0.252 0.000 0.692 386 A CB 1.897 21.041 19.000 0.239 0.000 1.291 386 A HN 0.279 nan 8.150 nan 0.000 0.407 387 V N 0.912 121.090 119.914 0.440 0.000 2.971 387 V HA 0.789 4.908 4.120 -0.001 0.000 0.309 387 V C -0.947 175.327 176.094 0.300 0.000 1.130 387 V CA -0.737 61.788 62.300 0.374 0.000 0.964 387 V CB 2.006 33.962 31.823 0.223 0.000 1.029 387 V HN 1.070 nan 8.190 nan 0.000 0.427 388 R N 4.592 125.120 120.500 0.047 0.000 2.437 388 R HA 0.460 4.799 4.340 -0.001 0.000 0.310 388 R C -0.742 175.410 176.300 -0.246 0.000 0.955 388 R CA -0.514 55.425 56.100 -0.268 0.000 0.851 388 R CB 1.181 31.097 30.300 -0.641 0.000 1.161 388 R HN 0.849 nan 8.270 nan 0.000 0.446 389 C N 4.013 123.188 119.300 -0.208 0.000 3.585 389 C HA 0.078 4.538 4.460 -0.001 0.000 0.575 389 C C 0.806 175.499 174.990 -0.495 0.000 1.068 389 C CA -0.452 58.386 59.018 -0.301 0.000 1.113 389 C CB -2.258 25.410 27.740 -0.120 0.000 1.381 389 C HN 0.664 nan 8.230 nan 0.000 0.635 390 S N 1.031 116.319 115.700 -0.686 0.000 2.481 390 S HA 0.142 4.611 4.470 -0.001 0.000 0.282 390 S C -0.082 173.603 174.600 -1.526 0.000 1.243 390 S CA 0.235 57.753 58.200 -1.137 0.000 1.078 390 S CB 0.095 62.590 63.200 -1.175 0.000 0.916 390 S HN 0.722 nan 8.310 nan 0.000 0.495 391 H N 3.722 122.082 119.070 -1.183 0.000 2.511 391 H HA 0.307 4.862 4.556 -0.001 0.000 0.228 391 H C -1.188 173.981 175.328 -0.264 0.000 1.424 391 H CA -0.333 55.457 56.048 -0.430 0.000 1.321 391 H CB -0.071 29.654 29.762 -0.063 0.000 1.720 391 H HN 0.891 nan 8.280 nan 0.000 0.512 392 Y N -3.153 117.231 120.300 0.141 0.000 2.717 392 Y HA 0.370 4.919 4.550 -0.001 0.000 0.345 392 Y C -3.372 172.623 175.900 0.158 0.000 1.187 392 Y CA -3.119 55.077 58.100 0.161 0.000 1.128 392 Y CB -0.051 38.512 38.460 0.171 0.000 1.360 392 Y HN -0.093 nan 8.280 nan 0.000 0.467 393 P HA 0.137 nan 4.420 nan 0.000 0.265 393 P C -0.648 176.939 177.300 0.478 0.000 1.193 393 P CA 0.415 63.770 63.100 0.425 0.000 0.765 393 P CB 0.537 32.418 31.700 0.302 0.000 0.823 394 N N 1.093 120.086 118.700 0.488 0.000 2.408 394 N HA 0.073 4.812 4.740 -0.001 0.000 0.260 394 N C 0.046 175.836 175.510 0.467 0.000 1.242 394 N CA -0.282 52.975 53.050 0.345 0.000 0.959 394 N CB 0.070 38.531 38.487 -0.044 0.000 1.201 394 N HN 0.482 nan 8.380 nan 0.000 0.511 395 H N 2.488 121.695 119.070 0.228 0.000 3.064 395 H HA -0.016 4.539 4.556 -0.001 0.000 0.329 395 H C -1.514 174.022 175.328 0.347 0.000 1.020 395 H CA -0.885 55.286 56.048 0.204 0.000 1.402 395 H CB 0.769 30.612 29.762 0.135 0.000 1.379 395 H HN 0.459 nan 8.280 nan 0.000 0.594 396 P HA -0.247 nan 4.420 nan 0.000 0.217 396 P C 1.801 179.419 177.300 0.529 0.000 1.151 396 P CA 0.948 64.252 63.100 0.341 0.000 0.849 396 P CB 0.266 31.998 31.700 0.053 0.000 0.787 397 L N -0.701 120.951 121.223 0.715 0.000 2.083 397 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 397 L C 2.544 179.622 176.870 0.346 0.000 1.083 397 L CA 1.516 56.631 54.840 0.458 0.000 0.752 397 L CB -1.664 40.593 42.059 0.331 0.000 0.899 397 L HN 0.033 nan 8.230 nan 0.000 0.433 398 W N -0.291 121.110 121.300 0.167 0.000 2.302 398 W HA -0.360 4.299 4.660 -0.001 0.000 0.320 398 W C 2.234 178.691 176.519 -0.105 0.000 1.241 398 W CA 2.275 59.597 57.345 -0.037 0.000 1.264 398 W CB -0.561 28.800 29.460 -0.165 0.000 1.154 398 W HN 0.282 nan 8.180 nan 0.000 0.483 399 Y N 0.879 121.128 120.300 -0.085 0.000 2.224 399 Y HA -0.226 4.323 4.550 -0.001 0.000 0.289 399 Y C 2.874 178.560 175.900 -0.357 0.000 1.146 399 Y CA 2.262 60.090 58.100 -0.453 0.000 1.182 399 Y CB -1.351 36.505 38.460 -1.008 0.000 0.983 399 Y HN -0.188 nan 8.280 nan 0.000 0.524 400 T N 0.578 115.182 114.554 0.084 0.000 2.746 400 T HA -0.156 4.193 4.350 -0.001 0.000 0.267 400 T C 2.024 176.788 174.700 0.106 0.000 1.039 400 T CA 1.384 63.613 62.100 0.215 0.000 1.142 400 T CB -0.521 68.509 68.868 0.269 0.000 0.866 400 T HN 0.232 nan 8.240 nan 0.000 0.444 401 L N 0.333 121.561 121.223 0.007 0.000 2.027 401 L HA -0.086 4.254 4.340 -0.001 0.000 0.206 401 L C 2.886 179.734 176.870 -0.038 0.000 1.074 401 L CA 0.967 55.820 54.840 0.022 0.000 0.745 401 L CB -0.732 41.263 42.059 -0.107 0.000 0.898 401 L HN 0.341 nan 8.230 nan 0.000 0.433 402 C N -0.165 118.933 119.300 -0.337 0.000 2.410 402 C HA -0.163 4.296 4.460 -0.001 0.000 0.281 402 C C 2.352 177.378 174.990 0.060 0.000 1.318 402 C CA 0.527 59.383 59.018 -0.270 0.000 1.776 402 C CB -0.927 26.533 27.740 -0.467 0.000 1.942 402 C HN 0.535 nan 8.230 nan 0.000 0.508 403 D N 0.387 120.840 120.400 0.088 0.000 2.084 403 D HA -0.077 4.563 4.640 -0.001 0.000 0.196 403 D C 2.463 178.974 176.300 0.351 0.000 0.985 403 D CA 1.166 55.291 54.000 0.207 0.000 0.826 403 D CB -0.257 40.637 40.800 0.158 0.000 0.978 403 D HN 0.489 nan 8.370 nan 0.000 0.456 404 R N -0.968 119.652 120.500 0.199 0.000 2.093 404 R HA -0.019 4.321 4.340 -0.001 0.000 0.224 404 R C 2.102 178.399 176.300 -0.005 0.000 1.101 404 R CA 0.645 56.806 56.100 0.102 0.000 0.979 404 R CB -0.245 30.059 30.300 0.007 0.000 0.877 404 R HN 0.280 nan 8.270 nan 0.000 0.441 405 Y N 0.158 120.474 120.300 0.026 0.000 2.475 405 Y HA 0.139 4.688 4.550 -0.001 0.000 0.289 405 Y C 1.008 176.842 175.900 -0.110 0.000 1.121 405 Y CA 0.992 59.078 58.100 -0.023 0.000 1.257 405 Y CB 0.531 38.945 38.460 -0.076 0.000 1.026 405 Y HN 0.265 nan 8.280 nan 0.000 0.555 406 G N 1.065 109.894 108.800 0.048 0.000 2.830 406 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.298 406 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.298 406 G C -1.180 173.567 174.900 -0.255 0.000 1.031 406 G CA -0.508 44.486 45.100 -0.176 0.000 1.179 406 G HN 0.160 nan 8.290 nan 0.000 0.527 407 L N 1.370 122.511 121.223 -0.136 0.000 2.526 407 L HA 0.402 4.741 4.340 -0.001 0.000 0.263 407 L C -0.573 176.309 176.870 0.020 0.000 0.943 407 L CA -1.261 53.477 54.840 -0.171 0.000 0.859 407 L CB 1.865 43.839 42.059 -0.143 0.000 1.313 407 L HN 0.382 nan 8.230 nan 0.000 0.406 408 Y N 2.442 122.867 120.300 0.208 0.000 2.402 408 Y HA 0.366 4.915 4.550 -0.001 0.000 0.333 408 Y C 0.317 176.345 175.900 0.212 0.000 1.076 408 Y CA -0.505 57.749 58.100 0.256 0.000 1.299 408 Y CB 0.940 39.527 38.460 0.211 0.000 1.197 408 Y HN 0.109 nan 8.280 nan 0.000 0.517 409 V N 4.211 124.310 119.914 0.310 0.000 2.628 409 V HA 0.440 4.559 4.120 -0.001 0.000 0.306 409 V C -0.474 175.702 176.094 0.136 0.000 1.045 409 V CA -1.100 61.320 62.300 0.200 0.000 0.905 409 V CB 1.957 33.844 31.823 0.107 0.000 0.997 409 V HN 0.436 nan 8.190 nan 0.000 0.436 410 V N 2.895 122.864 119.914 0.091 0.000 2.311 410 V HA 0.317 4.437 4.120 -0.001 0.000 0.275 410 V C -0.357 175.770 176.094 0.055 0.000 1.022 410 V CA -0.379 61.926 62.300 0.009 0.000 0.830 410 V CB 1.335 33.058 31.823 -0.167 0.000 1.012 410 V HN 0.875 nan 8.190 nan 0.000 0.452 411 D N 4.170 124.645 120.400 0.124 0.000 2.316 411 D HA 0.241 4.880 4.640 -0.001 0.000 0.245 411 D C -0.103 176.403 176.300 0.344 0.000 1.171 411 D CA 0.072 54.254 54.000 0.304 0.000 0.856 411 D CB 1.067 42.125 40.800 0.430 0.000 1.090 411 D HN 0.668 nan 8.370 nan 0.000 0.476 412 E N 2.107 122.459 120.200 0.253 0.000 2.176 412 E HA 0.578 4.927 4.350 -0.001 0.000 0.267 412 E C -0.799 175.938 176.600 0.228 0.000 0.893 412 E CA -1.036 55.497 56.400 0.221 0.000 0.761 412 E CB 1.215 30.993 29.700 0.130 0.000 1.133 412 E HN 0.484 nan 8.360 nan 0.000 0.409 413 A N 4.047 126.994 122.820 0.212 0.000 2.507 413 A HA -0.016 4.304 4.320 -0.001 0.000 0.235 413 A C 0.361 178.065 177.584 0.199 0.000 1.070 413 A CA -0.114 52.025 52.037 0.170 0.000 0.768 413 A CB 0.109 19.169 19.000 0.100 0.000 1.011 413 A HN 0.728 nan 8.150 nan 0.000 0.502 414 N N 0.866 119.689 118.700 0.205 0.000 2.895 414 N HA 0.319 5.058 4.740 -0.001 0.000 0.277 414 N C -1.039 174.593 175.510 0.203 0.000 1.185 414 N CA 0.196 53.399 53.050 0.254 0.000 1.106 414 N CB -0.742 37.897 38.487 0.253 0.000 1.422 414 N HN 0.457 nan 8.380 nan 0.000 0.521 415 I N 1.028 121.714 120.570 0.194 0.000 2.540 415 I HA 0.239 4.408 4.170 -0.001 0.000 0.280 415 I C -0.640 175.572 176.117 0.157 0.000 1.083 415 I CA -0.506 60.891 61.300 0.161 0.000 1.080 415 I CB 1.504 39.576 38.000 0.120 0.000 1.205 415 I HN 0.246 nan 8.210 nan 0.000 0.459 416 E N 4.099 124.383 120.200 0.140 0.000 2.263 416 E HA 0.457 4.807 4.350 -0.001 0.000 0.268 416 E C -0.404 176.235 176.600 0.065 0.000 0.884 416 E CA -0.370 56.077 56.400 0.078 0.000 0.766 416 E CB 1.952 31.663 29.700 0.018 0.000 1.196 416 E HN 0.593 nan 8.360 nan 0.000 0.416 417 T N 0.523 115.098 114.554 0.035 0.000 3.442 417 T HA 0.133 4.482 4.350 -0.001 0.000 0.295 417 T C 0.866 175.527 174.700 -0.065 0.000 1.007 417 T CA -0.422 61.708 62.100 0.050 0.000 0.962 417 T CB 0.290 69.200 68.868 0.071 0.000 1.187 417 T HN 0.574 nan 8.240 nan 0.000 0.490 418 E N 1.246 121.348 120.200 -0.163 0.000 2.333 418 E HA -0.115 4.234 4.350 -0.001 0.000 0.200 418 E C 1.997 178.445 176.600 -0.254 0.000 1.010 418 E CA 1.468 57.746 56.400 -0.204 0.000 0.841 418 E CB -0.709 28.841 29.700 -0.250 0.000 0.757 418 E HN 0.710 nan 8.360 nan 0.000 0.508 419 G N 0.406 108.957 108.800 -0.414 0.000 2.511 419 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.217 419 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.217 419 G C 0.818 175.743 174.900 0.041 0.000 1.133 419 G CA -0.074 44.802 45.100 -0.373 0.000 0.792 419 G HN 0.091 nan 8.290 nan 0.000 0.539 420 M N 0.285 119.970 119.600 0.141 0.000 2.167 420 M HA 0.342 4.822 4.480 -0.001 0.000 0.300 420 M C -0.374 175.926 176.300 0.000 0.000 1.171 420 M CA -0.093 55.268 55.300 0.102 0.000 1.171 420 M CB 1.158 33.776 32.600 0.031 0.000 1.396 420 M HN -0.161 nan 8.290 nan 0.000 0.466 421 V N 2.541 122.443 119.914 -0.020 0.000 2.577 421 V HA 0.322 4.441 4.120 -0.001 0.000 0.294 421 V C -2.073 173.997 176.094 -0.041 0.000 1.052 421 V CA -1.301 60.977 62.300 -0.037 0.000 0.891 421 V CB 1.767 33.568 31.823 -0.037 0.000 1.017 421 V HN 0.741 nan 8.190 nan 0.000 0.436 422 P HA 0.216 nan 4.420 nan 0.000 0.273 422 P C 1.017 178.295 177.300 -0.036 0.000 1.250 422 P CA -0.490 62.586 63.100 -0.040 0.000 0.793 422 P CB 1.127 32.809 31.700 -0.030 0.000 1.011 423 M N 0.989 120.567 119.600 -0.035 0.000 2.337 423 M HA -0.193 4.287 4.480 -0.001 0.000 0.261 423 M C 1.086 177.391 176.300 0.009 0.000 1.067 423 M CA 1.820 57.105 55.300 -0.024 0.000 1.074 423 M CB -0.425 32.156 32.600 -0.031 0.000 1.395 423 M HN 0.369 nan 8.290 nan 0.000 0.431 424 N N -0.359 118.350 118.700 0.015 0.000 2.273 424 N HA -0.029 4.711 4.740 -0.001 0.000 0.231 424 N C 1.034 176.521 175.510 -0.039 0.000 1.134 424 N CA -0.041 53.026 53.050 0.029 0.000 0.856 424 N CB -0.628 37.906 38.487 0.078 0.000 1.068 424 N HN 0.383 nan 8.380 nan 0.000 0.510 425 R N 0.303 120.760 120.500 -0.071 0.000 2.127 425 R HA 0.034 4.373 4.340 -0.001 0.000 0.238 425 R C 1.248 177.437 176.300 -0.185 0.000 1.134 425 R CA 1.139 57.173 56.100 -0.110 0.000 0.975 425 R CB 0.077 30.307 30.300 -0.116 0.000 0.865 425 R HN 0.274 nan 8.270 nan 0.000 0.447 426 L N -0.841 120.218 121.223 -0.273 0.000 2.200 426 L HA 0.002 4.341 4.340 -0.001 0.000 0.200 426 L C 2.438 179.167 176.870 -0.235 0.000 1.072 426 L CA 1.203 55.762 54.840 -0.468 0.000 0.787 426 L CB -0.546 41.018 42.059 -0.826 0.000 0.957 426 L HN 0.313 nan 8.230 nan 0.000 0.459 427 T N -3.797 110.651 114.554 -0.178 0.000 2.996 427 T HA -0.215 4.134 4.350 -0.001 0.000 0.271 427 T C 1.169 175.788 174.700 -0.135 0.000 1.126 427 T CA 1.631 63.614 62.100 -0.196 0.000 1.103 427 T CB -0.288 68.411 68.868 -0.281 0.000 0.870 427 T HN 0.206 nan 8.240 nan 0.000 0.528 428 D N 0.642 120.997 120.400 -0.075 0.000 2.398 428 D HA 0.087 4.727 4.640 -0.001 0.000 0.210 428 D C -0.182 176.104 176.300 -0.024 0.000 1.094 428 D CA -0.337 53.633 54.000 -0.050 0.000 0.839 428 D CB 0.034 40.808 40.800 -0.045 0.000 0.963 428 D HN 0.294 nan 8.370 nan 0.000 0.506 429 D N 0.420 120.819 120.400 -0.002 0.000 2.313 429 D HA 0.094 4.733 4.640 -0.001 0.000 0.239 429 D C -1.480 174.875 176.300 0.092 0.000 1.142 429 D CA -2.225 51.810 54.000 0.058 0.000 0.847 429 D CB 1.790 42.659 40.800 0.116 0.000 1.082 429 D HN 0.008 nan 8.370 nan 0.000 0.480 430 P HA -0.188 nan 4.420 nan 0.000 0.221 430 P C 1.305 178.617 177.300 0.019 0.000 1.145 430 P CA 0.585 63.699 63.100 0.024 0.000 0.795 430 P CB 0.306 32.009 31.700 0.005 0.000 0.775 431 R N -0.862 119.661 120.500 0.037 0.000 2.189 431 R HA -0.113 4.227 4.340 -0.001 0.000 0.223 431 R C 1.157 177.346 176.300 -0.185 0.000 1.092 431 R CA 1.136 57.197 56.100 -0.066 0.000 0.989 431 R CB -0.371 29.895 30.300 -0.056 0.000 0.876 431 R HN 0.224 nan 8.270 nan 0.000 0.457 432 W N -0.209 121.041 121.300 -0.084 0.000 3.220 432 W HA 0.114 4.774 4.660 -0.001 0.000 0.328 432 W C 1.349 177.814 176.519 -0.090 0.000 1.205 432 W CA -0.600 56.694 57.345 -0.085 0.000 1.773 432 W CB 0.070 29.476 29.460 -0.089 0.000 1.086 432 W HN 0.059 nan 8.180 nan 0.000 0.622 433 L N 2.088 123.344 121.223 0.055 0.000 2.079 433 L HA -0.045 4.294 4.340 -0.001 0.000 0.210 433 L C -0.725 176.116 176.870 -0.048 0.000 1.081 433 L CA 2.229 57.064 54.840 -0.009 0.000 0.752 433 L CB -1.560 40.482 42.059 -0.027 0.000 0.896 433 L HN -0.215 nan 8.230 nan 0.000 0.433 434 P HA -0.133 nan 4.420 nan 0.000 0.213 434 P C 1.667 178.918 177.300 -0.083 0.000 1.170 434 P CA 2.101 65.144 63.100 -0.096 0.000 0.893 434 P CB -0.208 31.420 31.700 -0.119 0.000 0.784 435 A N -0.825 121.956 122.820 -0.065 0.000 1.892 435 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 435 A C 2.245 179.844 177.584 0.024 0.000 1.188 435 A CA 2.359 54.392 52.037 -0.005 0.000 0.631 435 A CB -1.617 17.417 19.000 0.057 0.000 0.822 435 A HN 0.095 nan 8.150 nan 0.000 0.447 436 M N -0.886 118.740 119.600 0.043 0.000 2.065 436 M HA -0.164 4.315 4.480 -0.001 0.000 0.259 436 M C 2.566 178.812 176.300 -0.090 0.000 1.069 436 M CA 1.829 57.126 55.300 -0.005 0.000 1.110 436 M CB -0.511 32.069 32.600 -0.034 0.000 1.328 436 M HN 0.575 nan 8.290 nan 0.000 0.405 437 S N 0.525 116.144 115.700 -0.135 0.000 2.390 437 S HA -0.261 4.208 4.470 -0.001 0.000 0.234 437 S C 1.676 176.107 174.600 -0.281 0.000 1.063 437 S CA 2.126 60.178 58.200 -0.246 0.000 1.108 437 S CB -0.407 62.653 63.200 -0.233 0.000 0.975 437 S HN 0.521 nan 8.310 nan 0.000 0.442 438 E N -0.082 120.005 120.200 -0.188 0.000 2.204 438 E HA -0.083 4.266 4.350 -0.001 0.000 0.194 438 E C 2.354 178.870 176.600 -0.139 0.000 0.989 438 E CA 0.758 57.057 56.400 -0.169 0.000 0.824 438 E CB -0.094 29.540 29.700 -0.111 0.000 0.756 438 E HN 0.549 nan 8.360 nan 0.000 0.477 439 R N -0.052 120.390 120.500 -0.096 0.000 2.240 439 R HA 0.004 4.343 4.340 -0.001 0.000 0.203 439 R C 1.991 178.247 176.300 -0.073 0.000 1.011 439 R CA 0.259 56.333 56.100 -0.043 0.000 1.007 439 R CB 0.330 30.643 30.300 0.022 0.000 0.911 439 R HN 0.005 nan 8.270 nan 0.000 0.468 440 V N -0.065 119.751 119.914 -0.164 0.000 2.490 440 V HA -0.148 3.972 4.120 -0.001 0.000 0.238 440 V C 2.404 178.297 176.094 -0.336 0.000 1.056 440 V CA 1.989 64.162 62.300 -0.212 0.000 1.075 440 V CB -0.091 31.587 31.823 -0.242 0.000 0.746 440 V HN 0.428 nan 8.190 nan 0.000 0.479 441 T N -0.368 113.861 114.554 -0.542 0.000 2.720 441 T HA -0.263 4.086 4.350 -0.001 0.000 0.268 441 T C 1.909 176.456 174.700 -0.255 0.000 1.037 441 T CA 1.573 63.288 62.100 -0.643 0.000 1.144 441 T CB -0.444 67.914 68.868 -0.851 0.000 0.864 441 T HN 0.384 nan 8.240 nan 0.000 0.444 442 R N 0.334 120.709 120.500 -0.208 0.000 2.189 442 R HA 0.202 4.541 4.340 -0.001 0.000 0.223 442 R C 2.621 178.849 176.300 -0.120 0.000 1.092 442 R CA 1.291 57.306 56.100 -0.141 0.000 0.989 442 R CB -0.447 29.777 30.300 -0.128 0.000 0.876 442 R HN 0.517 nan 8.270 nan 0.000 0.457 443 M N 0.547 120.078 119.600 -0.115 0.000 2.123 443 M HA -0.117 4.362 4.480 -0.001 0.000 0.263 443 M C 1.834 178.065 176.300 -0.114 0.000 1.069 443 M CA 1.582 56.846 55.300 -0.059 0.000 1.133 443 M CB 0.124 32.727 32.600 0.005 0.000 1.356 443 M HN -0.051 nan 8.290 nan 0.000 0.415 444 V N 1.301 121.031 119.914 -0.307 0.000 2.295 444 V HA -0.291 3.828 4.120 -0.001 0.000 0.246 444 V C 2.387 178.410 176.094 -0.118 0.000 1.049 444 V CA 2.022 64.031 62.300 -0.484 0.000 1.024 444 V CB -1.077 30.462 31.823 -0.473 0.000 0.648 444 V HN 0.579 nan 8.190 nan 0.000 0.447 445 Q N -0.590 119.178 119.800 -0.053 0.000 2.226 445 Q HA -0.228 4.111 4.340 -0.001 0.000 0.204 445 Q C 2.419 178.382 176.000 -0.062 0.000 0.975 445 Q CA 1.421 57.219 55.803 -0.009 0.000 0.866 445 Q CB -0.172 28.571 28.738 0.009 0.000 0.915 445 Q HN 0.575 nan 8.270 nan 0.000 0.440 446 R N 0.545 120.988 120.500 -0.095 0.000 2.057 446 R HA -0.084 4.255 4.340 -0.001 0.000 0.224 446 R C 0.812 177.061 176.300 -0.085 0.000 1.136 446 R CA 1.333 57.346 56.100 -0.145 0.000 0.968 446 R CB 0.343 30.543 30.300 -0.166 0.000 0.863 446 R HN 0.139 nan 8.270 nan 0.000 0.433 447 D N 0.315 120.728 120.400 0.021 0.000 2.360 447 D HA -0.037 4.602 4.640 -0.001 0.000 0.210 447 D C 1.513 177.973 176.300 0.266 0.000 1.047 447 D CA 0.199 54.266 54.000 0.112 0.000 0.854 447 D CB 0.051 40.824 40.800 -0.044 0.000 0.936 447 D HN 0.388 nan 8.370 nan 0.000 0.514 448 R N 0.968 121.670 120.500 0.336 0.000 2.261 448 R HA -0.092 4.247 4.340 -0.001 0.000 0.236 448 R C 0.958 177.327 176.300 0.115 0.000 1.141 448 R CA 1.041 57.359 56.100 0.364 0.000 1.001 448 R CB -0.359 30.087 30.300 0.244 0.000 0.866 448 R HN -0.032 nan 8.270 nan 0.000 0.468 449 N N 0.082 118.773 118.700 -0.014 0.000 2.373 449 N HA -0.011 4.728 4.740 -0.001 0.000 0.181 449 N C -0.338 175.087 175.510 -0.142 0.000 1.082 449 N CA 0.303 53.291 53.050 -0.103 0.000 0.885 449 N CB 0.034 38.410 38.487 -0.186 0.000 0.977 449 N HN 0.302 nan 8.380 nan 0.000 0.462 450 H N 1.657 120.687 119.070 -0.067 0.000 2.899 450 H HA 0.052 4.607 4.556 -0.001 0.000 0.303 450 H C -1.161 174.036 175.328 -0.218 0.000 1.042 450 H CA -0.854 55.134 56.048 -0.099 0.000 1.479 450 H CB 1.360 31.110 29.762 -0.019 0.000 1.493 450 H HN 0.129 nan 8.280 nan 0.000 0.534 451 P HA -0.132 nan 4.420 nan 0.000 0.221 451 P C 1.381 178.211 177.300 -0.782 0.000 1.150 451 P CA 0.977 63.735 63.100 -0.570 0.000 0.800 451 P CB 0.309 31.487 31.700 -0.870 0.000 0.787 452 S N -0.689 114.644 115.700 -0.612 0.000 2.442 452 S HA -0.033 4.436 4.470 -0.001 0.000 0.236 452 S C 1.109 175.688 174.600 -0.035 0.000 1.007 452 S CA 0.289 58.323 58.200 -0.277 0.000 0.965 452 S CB -1.425 61.761 63.200 -0.024 0.000 0.773 452 S HN -0.062 nan 8.310 nan 0.000 0.504 453 V N 3.722 123.585 119.914 -0.085 0.000 2.415 453 V HA 0.245 4.364 4.120 -0.001 0.000 0.267 453 V C 1.113 177.084 176.094 -0.205 0.000 1.042 453 V CA -0.057 62.163 62.300 -0.133 0.000 1.000 453 V CB 0.385 32.052 31.823 -0.260 0.000 1.015 453 V HN 0.640 nan 8.190 nan 0.000 0.478 454 I N 2.887 123.396 120.570 -0.101 0.000 4.187 454 I HA 0.488 4.657 4.170 -0.001 0.000 0.326 454 I C 0.388 176.417 176.117 -0.148 0.000 1.302 454 I CA 0.529 61.784 61.300 -0.075 0.000 1.196 454 I CB 0.513 38.559 38.000 0.076 0.000 1.095 454 I HN 0.309 nan 8.210 nan 0.000 0.411 455 I N 0.076 120.533 120.570 -0.188 0.000 2.722 455 I HA 0.361 4.531 4.170 -0.001 0.000 0.295 455 I C -1.646 174.387 176.117 -0.141 0.000 1.161 455 I CA -0.472 60.753 61.300 -0.125 0.000 1.032 455 I CB 2.230 40.240 38.000 0.017 0.000 1.244 455 I HN 0.018 nan 8.210 nan 0.000 0.421 456 W N 3.714 125.067 121.300 0.089 0.000 2.478 456 W HA 0.587 5.246 4.660 -0.001 0.000 0.318 456 W C 0.308 176.889 176.519 0.104 0.000 1.062 456 W CA -0.684 56.719 57.345 0.096 0.000 1.210 456 W CB 1.845 31.357 29.460 0.088 0.000 1.325 456 W HN 0.307 nan 8.180 nan 0.000 0.496 457 S N 3.199 119.124 115.700 0.375 0.000 2.472 457 S HA 0.419 4.888 4.470 -0.001 0.000 0.303 457 S C 0.284 175.035 174.600 0.253 0.000 1.099 457 S CA -0.691 57.673 58.200 0.273 0.000 1.077 457 S CB 0.804 64.122 63.200 0.197 0.000 1.031 457 S HN 0.583 nan 8.310 nan 0.000 0.487 458 L N 4.250 125.605 121.223 0.220 0.000 2.627 458 L HA 0.358 4.697 4.340 -0.001 0.000 0.233 458 L C 1.343 178.264 176.870 0.085 0.000 1.144 458 L CA 0.392 55.288 54.840 0.093 0.000 0.892 458 L CB -1.157 40.866 42.059 -0.060 0.000 1.039 458 L HN 0.996 nan 8.230 nan 0.000 0.442 459 G N -0.014 108.914 108.800 0.214 0.000 2.280 459 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.277 459 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.277 459 G C -1.627 173.458 174.900 0.309 0.000 1.288 459 G CA -0.602 44.640 45.100 0.235 0.000 1.075 459 G HN 0.170 nan 8.290 nan 0.000 0.480 460 N N 0.124 118.955 118.700 0.218 0.000 2.329 460 N HA 0.488 5.228 4.740 -0.001 0.000 0.282 460 N C -0.528 174.985 175.510 0.004 0.000 1.198 460 N CA 0.001 53.064 53.050 0.023 0.000 0.790 460 N CB 1.633 39.855 38.487 -0.442 0.000 1.579 460 N HN 0.860 nan 8.380 nan 0.000 0.475 461 E N 0.491 120.629 120.200 -0.103 0.000 2.012 461 E HA -0.180 4.169 4.350 -0.001 0.000 0.171 461 E C -0.887 175.722 176.600 0.015 0.000 1.512 461 E CA 0.746 57.085 56.400 -0.101 0.000 0.577 461 E CB -1.109 28.473 29.700 -0.196 0.000 1.034 461 E HN 0.395 nan 8.360 nan 0.000 0.293 462 S N 0.591 116.390 115.700 0.166 0.000 2.949 462 S HA 0.367 4.836 4.470 -0.001 0.000 0.246 462 S C 0.564 175.359 174.600 0.326 0.000 0.899 462 S CA -0.248 58.097 58.200 0.242 0.000 1.091 462 S CB 1.279 64.684 63.200 0.341 0.000 1.199 462 S HN 0.882 nan 8.310 nan 0.000 0.507 463 G N 2.010 110.921 108.800 0.185 0.000 2.581 463 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.289 463 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.289 463 G C -0.396 174.723 174.900 0.366 0.000 1.303 463 G CA 0.251 45.461 45.100 0.183 0.000 0.931 463 G HN 0.709 nan 8.290 nan 0.000 0.555 464 H N 0.376 119.574 119.070 0.213 0.000 3.036 464 H HA 0.538 5.093 4.556 -0.001 0.000 0.295 464 H C 0.529 176.013 175.328 0.261 0.000 1.124 464 H CA -0.148 56.073 56.048 0.288 0.000 1.507 464 H CB 0.033 29.895 29.762 0.167 0.000 1.591 464 H HN 0.917 nan 8.280 nan 0.000 0.510 465 G N 1.251 110.234 108.800 0.306 0.000 2.521 465 G HA2 0.430 4.389 3.960 -0.001 0.000 0.323 465 G HA3 0.430 4.389 3.960 -0.001 0.000 0.323 465 G C 0.825 175.687 174.900 -0.064 0.000 1.211 465 G CA -0.093 45.001 45.100 -0.011 0.000 0.979 465 G HN 0.651 nan 8.290 nan 0.000 0.490 466 A N 0.349 123.119 122.820 -0.084 0.000 1.940 466 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 466 A C 2.251 179.842 177.584 0.012 0.000 1.176 466 A CA 2.015 54.032 52.037 -0.034 0.000 0.631 466 A CB -0.589 18.395 19.000 -0.025 0.000 0.814 466 A HN 0.563 nan 8.150 nan 0.000 0.446 467 N N -0.209 118.465 118.700 -0.044 0.000 2.137 467 N HA -0.199 4.540 4.740 -0.001 0.000 0.190 467 N C 1.424 176.906 175.510 -0.048 0.000 1.017 467 N CA 1.953 54.957 53.050 -0.076 0.000 0.859 467 N CB -0.782 37.612 38.487 -0.156 0.000 1.002 467 N HN 0.803 nan 8.380 nan 0.000 0.428 468 H N 0.239 119.329 119.070 0.033 0.000 2.353 468 H HA -0.040 4.515 4.556 -0.001 0.000 0.300 468 H C 1.352 176.762 175.328 0.137 0.000 1.090 468 H CA 1.319 57.385 56.048 0.029 0.000 1.327 468 H CB 0.139 29.937 29.762 0.059 0.000 1.383 468 H HN 0.250 nan 8.280 nan 0.000 0.508 469 D N 0.277 120.864 120.400 0.310 0.000 2.117 469 D HA -0.119 4.520 4.640 -0.001 0.000 0.198 469 D C 2.313 178.771 176.300 0.263 0.000 0.982 469 D CA 1.085 55.251 54.000 0.277 0.000 0.828 469 D CB -0.256 40.675 40.800 0.218 0.000 0.967 469 D HN 0.422 nan 8.370 nan 0.000 0.464 470 A N 1.197 124.121 122.820 0.173 0.000 1.877 470 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 470 A C 2.419 180.105 177.584 0.171 0.000 1.186 470 A CA 0.968 53.091 52.037 0.144 0.000 0.620 470 A CB -0.838 18.207 19.000 0.073 0.000 0.822 470 A HN 0.180 nan 8.150 nan 0.000 0.443 471 L N -1.959 119.342 121.223 0.130 0.000 2.141 471 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 471 L C 2.564 179.557 176.870 0.204 0.000 1.094 471 L CA 1.508 56.412 54.840 0.106 0.000 0.763 471 L CB -0.662 41.397 42.059 -0.001 0.000 0.908 471 L HN 0.641 nan 8.230 nan 0.000 0.437 472 Y N 1.376 121.754 120.300 0.129 0.000 2.089 472 Y HA -0.329 4.220 4.550 -0.001 0.000 0.282 472 Y C 2.839 178.826 175.900 0.145 0.000 1.139 472 Y CA 1.821 60.002 58.100 0.135 0.000 1.123 472 Y CB -0.196 38.341 38.460 0.128 0.000 0.980 472 Y HN -0.040 nan 8.280 nan 0.000 0.493 473 R N -0.012 120.604 120.500 0.193 0.000 2.127 473 R HA -0.218 4.121 4.340 -0.001 0.000 0.238 473 R C 2.013 178.329 176.300 0.026 0.000 1.134 473 R CA 1.918 58.064 56.100 0.077 0.000 0.975 473 R CB -1.422 29.001 30.300 0.206 0.000 0.865 473 R HN 0.688 nan 8.270 nan 0.000 0.447 474 W N 0.392 121.642 121.300 -0.083 0.000 2.354 474 W HA -0.118 4.542 4.660 -0.001 0.000 0.315 474 W C 1.689 178.110 176.519 -0.162 0.000 1.206 474 W CA 1.973 59.257 57.345 -0.102 0.000 1.290 474 W CB -0.329 29.077 29.460 -0.090 0.000 1.152 474 W HN 0.060 nan 8.180 nan 0.000 0.489 475 I N 1.083 121.729 120.570 0.127 0.000 2.208 475 I HA -0.386 3.783 4.170 -0.001 0.000 0.245 475 I C 2.416 178.362 176.117 -0.286 0.000 1.097 475 I CA 1.447 62.658 61.300 -0.148 0.000 1.363 475 I CB -0.734 37.215 38.000 -0.085 0.000 1.051 475 I HN -0.051 nan 8.210 nan 0.000 0.413 476 K N 0.511 120.740 120.400 -0.285 0.000 2.103 476 K HA -0.102 4.217 4.320 -0.001 0.000 0.207 476 K C 2.259 178.727 176.600 -0.220 0.000 1.048 476 K CA 1.310 57.448 56.287 -0.248 0.000 0.930 476 K CB -0.457 31.861 32.500 -0.303 0.000 0.716 476 K HN 0.260 nan 8.250 nan 0.000 0.444 477 S N 0.689 116.222 115.700 -0.278 0.000 2.362 477 S HA -0.048 4.421 4.470 -0.001 0.000 0.221 477 S C 2.207 176.578 174.600 -0.381 0.000 1.032 477 S CA 0.823 58.853 58.200 -0.283 0.000 0.973 477 S CB -0.069 62.962 63.200 -0.283 0.000 0.849 477 S HN 0.002 nan 8.310 nan 0.000 0.465 478 V N 1.274 120.812 119.914 -0.628 0.000 2.358 478 V HA -0.039 4.080 4.120 -0.001 0.000 0.246 478 V C 0.634 176.464 176.094 -0.440 0.000 1.047 478 V CA 1.404 63.288 62.300 -0.693 0.000 1.035 478 V CB -0.358 30.707 31.823 -1.263 0.000 0.658 478 V HN 0.432 nan 8.190 nan 0.000 0.452 479 D N -1.404 118.804 120.400 -0.321 0.000 2.330 479 D HA 0.293 4.933 4.640 -0.001 0.000 0.249 479 D C -2.242 174.038 176.300 -0.033 0.000 1.306 479 D CA -1.626 52.299 54.000 -0.126 0.000 0.956 479 D CB 1.819 42.631 40.800 0.020 0.000 1.261 479 D HN 0.026 nan 8.370 nan 0.000 0.544 480 P HA -0.066 nan 4.420 nan 0.000 0.226 480 P C 1.345 178.661 177.300 0.027 0.000 1.153 480 P CA 0.596 63.685 63.100 -0.018 0.000 0.777 480 P CB 0.254 31.935 31.700 -0.032 0.000 0.794 481 S N -1.033 114.691 115.700 0.039 0.000 2.442 481 S HA -0.057 4.413 4.470 -0.001 0.000 0.236 481 S C 0.945 175.579 174.600 0.057 0.000 1.007 481 S CA 0.498 58.730 58.200 0.053 0.000 0.965 481 S CB -0.477 62.747 63.200 0.041 0.000 0.773 481 S HN 0.068 nan 8.310 nan 0.000 0.504 482 R N 1.236 121.785 120.500 0.083 0.000 2.670 482 R HA 0.564 4.903 4.340 -0.001 0.000 0.289 482 R C -3.189 173.177 176.300 0.111 0.000 0.965 482 R CA -2.385 53.741 56.100 0.043 0.000 0.899 482 R CB 1.405 31.620 30.300 -0.141 0.000 1.173 482 R HN 0.176 nan 8.270 nan 0.000 0.456 483 P HA 0.141 nan 4.420 nan 0.000 0.274 483 P C -0.788 176.618 177.300 0.177 0.000 1.231 483 P CA -0.426 62.743 63.100 0.114 0.000 0.790 483 P CB 0.832 32.582 31.700 0.084 0.000 0.951 484 V N 2.801 122.843 119.914 0.214 0.000 2.581 484 V HA 0.511 4.631 4.120 -0.001 0.000 0.303 484 V C 0.115 176.386 176.094 0.295 0.000 1.041 484 V CA -0.265 62.204 62.300 0.282 0.000 0.907 484 V CB 1.365 33.320 31.823 0.221 0.000 0.994 484 V HN 0.644 nan 8.190 nan 0.000 0.442 485 Q N 3.160 123.119 119.800 0.264 0.000 2.456 485 Q HA 0.778 5.117 4.340 -0.001 0.000 0.284 485 Q C -1.933 174.219 176.000 0.253 0.000 1.061 485 Q CA -0.933 54.990 55.803 0.201 0.000 0.799 485 Q CB 2.817 31.621 28.738 0.110 0.000 1.445 485 Q HN 0.632 nan 8.270 nan 0.000 0.411 486 Y N 0.458 120.755 120.300 -0.004 0.000 2.357 486 Y HA 0.175 4.725 4.550 -0.001 0.000 0.319 486 Y C -0.571 175.261 175.900 -0.113 0.000 1.225 486 Y CA -0.803 57.259 58.100 -0.063 0.000 1.095 486 Y CB 2.124 40.519 38.460 -0.107 0.000 1.302 486 Y HN 0.961 nan 8.280 nan 0.000 0.429 487 E N 3.388 123.183 120.200 -0.674 0.000 2.385 487 E HA 0.133 4.482 4.350 -0.001 0.000 0.194 487 E C 0.611 176.777 176.600 -0.724 0.000 1.013 487 E CA 0.675 56.749 56.400 -0.544 0.000 0.866 487 E CB 0.234 29.741 29.700 -0.321 0.000 0.832 487 E HN 0.882 nan 8.360 nan 0.000 0.500 488 G N -0.149 107.737 108.800 -1.524 0.000 2.559 488 G HA2 0.234 4.193 3.960 -0.001 0.000 0.235 488 G HA3 0.234 4.193 3.960 -0.001 0.000 0.235 488 G C 0.852 175.545 174.900 -0.344 0.000 1.266 488 G CA 0.264 44.833 45.100 -0.885 0.000 0.847 488 G HN 0.333 nan 8.290 nan 0.000 0.583 489 G N -0.500 108.252 108.800 -0.080 0.000 2.155 489 G HA2 0.209 4.169 3.960 -0.001 0.000 0.257 489 G HA3 0.209 4.169 3.960 -0.001 0.000 0.257 489 G C 1.272 176.189 174.900 0.029 0.000 0.983 489 G CA 1.078 46.207 45.100 0.049 0.000 0.676 489 G HN 2.627 nan 8.290 nan 0.000 0.528 490 G N -1.559 107.241 108.800 -0.001 0.000 2.183 490 G HA2 0.449 4.408 3.960 -0.001 0.000 0.168 490 G HA3 0.449 4.408 3.960 -0.001 0.000 0.168 490 G C 1.049 176.063 174.900 0.189 0.000 1.008 490 G CA 1.203 46.369 45.100 0.110 0.000 0.677 490 G HN 2.303 nan 8.290 nan 0.000 0.498 491 A N -0.258 122.557 122.820 -0.009 0.000 3.721 491 A HA -0.197 4.123 4.320 -0.001 0.000 0.270 491 A C 1.221 178.749 177.584 -0.094 0.000 1.036 491 A CA 2.832 54.809 52.037 -0.099 0.000 1.102 491 A CB -1.734 17.185 19.000 -0.135 0.000 1.100 491 A HN 2.056 nan 8.150 nan 0.000 0.887 492 D N -0.938 119.496 120.400 0.056 0.000 2.620 492 D HA 0.326 4.965 4.640 -0.001 0.000 0.260 492 D C 0.568 176.881 176.300 0.021 0.000 1.367 492 D CA 0.803 54.838 54.000 0.059 0.000 0.805 492 D CB -1.060 39.908 40.800 0.281 0.000 1.096 492 D HN 0.815 nan 8.370 nan 0.000 0.488 493 T N -2.183 112.327 114.554 -0.073 0.000 2.640 493 T HA 0.097 4.447 4.350 -0.001 0.000 0.316 493 T C 1.575 176.169 174.700 -0.176 0.000 1.036 493 T CA 0.488 62.493 62.100 -0.159 0.000 1.009 493 T CB 0.734 69.295 68.868 -0.512 0.000 1.017 493 T HN 0.145 nan 8.240 nan 0.000 0.530 494 T N -2.692 111.772 114.554 -0.150 0.000 3.160 494 T HA 0.276 4.625 4.350 -0.001 0.000 0.257 494 T C 1.417 175.872 174.700 -0.409 0.000 1.147 494 T CA 0.152 62.153 62.100 -0.165 0.000 1.064 494 T CB -0.446 68.408 68.868 -0.024 0.000 0.949 494 T HN 0.847 nan 8.240 nan 0.000 0.526 495 A N 0.455 123.026 122.820 -0.415 0.000 2.460 495 A HA 0.529 4.849 4.320 -0.001 0.000 0.258 495 A C 0.786 178.200 177.584 -0.284 0.000 1.300 495 A CA -0.302 51.464 52.037 -0.452 0.000 0.913 495 A CB 0.122 19.046 19.000 -0.126 0.000 1.031 495 A HN 0.443 nan 8.150 nan 0.000 0.512 496 T N -1.483 112.913 114.554 -0.263 0.000 2.993 496 T HA 0.333 4.683 4.350 -0.001 0.000 0.312 496 T C -0.709 174.009 174.700 0.031 0.000 1.115 496 T CA -0.452 61.649 62.100 0.001 0.000 1.027 496 T CB 1.244 70.106 68.868 -0.010 0.000 1.116 496 T HN 0.104 nan 8.240 nan 0.000 0.464 497 D N 2.961 123.459 120.400 0.163 0.000 2.348 497 D HA 0.237 4.876 4.640 -0.001 0.000 0.211 497 D C 0.433 176.765 176.300 0.054 0.000 0.998 497 D CA 0.664 54.745 54.000 0.135 0.000 0.873 497 D CB 0.585 41.498 40.800 0.187 0.000 0.925 497 D HN 0.540 nan 8.370 nan 0.000 0.524 498 I N 0.994 121.578 120.570 0.023 0.000 2.545 498 I HA 0.261 4.430 4.170 -0.001 0.000 0.292 498 I C -0.148 175.907 176.117 -0.103 0.000 1.040 498 I CA -0.887 60.392 61.300 -0.035 0.000 1.068 498 I CB 2.922 40.909 38.000 -0.020 0.000 1.251 498 I HN -0.359 nan 8.210 nan 0.000 0.424 499 I N 5.559 126.023 120.570 -0.177 0.000 2.406 499 I HA 0.064 4.233 4.170 -0.001 0.000 0.293 499 I C 0.149 176.061 176.117 -0.342 0.000 1.101 499 I CA -0.081 61.019 61.300 -0.333 0.000 1.334 499 I CB 0.102 37.800 38.000 -0.503 0.000 1.421 499 I HN 0.663 nan 8.210 nan 0.000 0.513 500 C N 6.149 125.274 119.300 -0.292 0.000 3.075 500 C HA 0.487 4.947 4.460 -0.001 0.000 0.262 500 C C -1.813 173.038 174.990 -0.231 0.000 1.371 500 C CA -2.323 56.565 59.018 -0.218 0.000 1.594 500 C CB -0.985 26.681 27.740 -0.123 0.000 1.849 500 C HN 0.431 nan 8.230 nan 0.000 0.475 501 P HA 0.334 nan 4.420 nan 0.000 0.275 501 P C -0.599 176.647 177.300 -0.090 0.000 1.270 501 P CA 0.138 63.135 63.100 -0.172 0.000 0.791 501 P CB 0.826 32.420 31.700 -0.176 0.000 1.089 502 M N -1.016 118.571 119.600 -0.022 0.000 2.106 502 M HA 0.438 4.918 4.480 -0.001 0.000 0.288 502 M C -1.241 175.051 176.300 -0.013 0.000 0.941 502 M CA -0.676 54.519 55.300 -0.176 0.000 0.934 502 M CB 1.484 33.996 32.600 -0.147 0.000 1.551 502 M HN 0.258 nan 8.290 nan 0.000 0.437 503 Y N -0.289 120.171 120.300 0.266 0.000 4.786 503 Y HA -0.179 4.370 4.550 -0.001 0.000 0.243 503 Y C 0.461 176.524 175.900 0.272 0.000 1.027 503 Y CA 0.542 58.802 58.100 0.267 0.000 2.052 503 Y CB -2.273 36.329 38.460 0.236 0.000 1.578 503 Y HN 0.999 nan 8.280 nan 0.000 0.655 504 A N 1.372 124.400 122.820 0.348 0.000 2.454 504 A HA 0.546 4.865 4.320 -0.001 0.000 0.260 504 A C 0.805 178.591 177.584 0.337 0.000 1.106 504 A CA -0.452 51.792 52.037 0.345 0.000 0.780 504 A CB 0.298 19.545 19.000 0.411 0.000 1.044 504 A HN 0.365 nan 8.150 nan 0.000 0.498 505 R N 1.760 122.394 120.500 0.223 0.000 2.707 505 R HA 0.230 4.570 4.340 -0.001 0.000 0.270 505 R C 1.073 177.329 176.300 -0.073 0.000 1.083 505 R CA -0.544 55.612 56.100 0.094 0.000 1.182 505 R CB 0.387 30.712 30.300 0.041 0.000 1.084 505 R HN 0.504 nan 8.270 nan 0.000 0.528 506 V N 0.810 120.514 119.914 -0.350 0.000 2.270 506 V HA -0.215 3.904 4.120 -0.001 0.000 0.245 506 V C 1.023 176.991 176.094 -0.211 0.000 1.043 506 V CA 1.939 63.999 62.300 -0.400 0.000 1.014 506 V CB -0.286 31.182 31.823 -0.592 0.000 0.645 506 V HN 0.773 nan 8.190 nan 0.000 0.447 507 D N -1.512 118.801 120.400 -0.145 0.000 2.473 507 D HA 0.094 4.734 4.640 -0.001 0.000 0.230 507 D C 0.902 177.183 176.300 -0.031 0.000 1.097 507 D CA 0.008 53.961 54.000 -0.079 0.000 0.861 507 D CB 0.751 41.510 40.800 -0.069 0.000 1.114 507 D HN 0.524 nan 8.370 nan 0.000 0.500 508 E N 1.911 122.094 120.200 -0.028 0.000 2.227 508 E HA 0.145 4.494 4.350 -0.001 0.000 0.282 508 E C -0.922 175.672 176.600 -0.009 0.000 1.015 508 E CA -0.550 55.841 56.400 -0.015 0.000 0.823 508 E CB 1.034 30.724 29.700 -0.018 0.000 1.081 508 E HN -0.241 nan 8.360 nan 0.000 0.396 509 D N 3.414 123.809 120.400 -0.008 0.000 2.283 509 D HA 0.151 4.790 4.640 -0.001 0.000 0.248 509 D C -0.592 175.588 176.300 -0.199 0.000 1.072 509 D CA 0.079 54.061 54.000 -0.029 0.000 0.929 509 D CB 1.223 42.087 40.800 0.106 0.000 1.182 509 D HN 0.394 nan 8.370 nan 0.000 0.433 510 Q N 1.446 121.009 119.800 -0.395 0.000 3.064 510 Q HA 0.217 4.557 4.340 -0.001 0.000 0.258 510 Q C -2.173 173.243 176.000 -0.973 0.000 0.972 510 Q CA -1.486 53.893 55.803 -0.707 0.000 0.761 510 Q CB 1.981 30.293 28.738 -0.710 0.000 1.281 510 Q HN 0.224 nan 8.270 nan 0.000 0.455 511 P HA -0.095 nan 4.420 nan 0.000 0.248 511 P C -0.623 176.417 177.300 -0.432 0.000 1.553 511 P CA 0.216 62.943 63.100 -0.621 0.000 0.901 511 P CB -0.609 30.914 31.700 -0.296 0.000 1.816 512 F N 2.944 122.714 119.950 -0.299 0.000 2.553 512 F HA 0.152 4.678 4.527 -0.001 0.000 0.356 512 F C -0.993 174.700 175.800 -0.179 0.000 1.142 512 F CA -2.371 55.514 58.000 -0.193 0.000 1.322 512 F CB -0.821 38.080 39.000 -0.165 0.000 1.126 512 F HN 0.116 nan 8.300 nan 0.000 0.599 513 P HA 0.215 nan 4.420 nan 0.000 0.271 513 P C 0.182 177.495 177.300 0.021 0.000 1.216 513 P CA 0.891 64.008 63.100 0.029 0.000 0.776 513 P CB 1.505 33.220 31.700 0.024 0.000 0.881 514 A N 3.011 125.840 122.820 0.016 0.000 1.693 514 A HA -0.251 4.068 4.320 -0.001 0.000 0.227 514 A C 0.762 178.359 177.584 0.022 0.000 0.457 514 A CA 1.955 54.006 52.037 0.023 0.000 1.106 514 A CB -2.772 16.237 19.000 0.015 0.000 1.453 514 A HN 0.694 nan 8.150 nan 0.000 0.714 515 V N -2.504 117.414 119.914 0.006 0.000 2.361 515 V HA 0.587 4.706 4.120 -0.001 0.000 0.252 515 V C -2.040 174.048 176.094 -0.010 0.000 0.986 515 V CA -1.147 61.157 62.300 0.006 0.000 1.033 515 V CB 0.570 32.394 31.823 0.002 0.000 1.282 515 V HN 0.609 nan 8.190 nan 0.000 0.514 516 P HA 0.318 nan 4.420 nan 0.000 0.272 516 P C -0.737 176.211 177.300 -0.587 0.000 1.240 516 P CA -0.134 62.664 63.100 -0.502 0.000 0.791 516 P CB 1.235 32.245 31.700 -1.150 0.000 0.978 517 K N 1.596 121.670 120.400 -0.543 0.000 2.473 517 K HA 0.225 4.544 4.320 -0.001 0.000 0.246 517 K C -0.548 175.795 176.600 -0.428 0.000 1.011 517 K CA -0.275 55.871 56.287 -0.235 0.000 0.984 517 K CB 0.524 33.117 32.500 0.155 0.000 1.250 517 K HN 0.464 nan 8.250 nan 0.000 0.454 518 W N 1.312 122.336 121.300 -0.461 0.000 2.126 518 W HA 0.075 4.734 4.660 -0.001 0.000 0.346 518 W C 1.286 177.827 176.519 0.035 0.000 1.279 518 W CA -0.501 56.645 57.345 -0.331 0.000 1.259 518 W CB 0.531 29.585 29.460 -0.677 0.000 1.133 518 W HN 0.374 nan 8.180 nan 0.000 0.592 519 S N 3.253 119.116 115.700 0.273 0.000 2.546 519 S HA -0.065 4.404 4.470 -0.001 0.000 0.290 519 S C 1.241 175.991 174.600 0.250 0.000 1.290 519 S CA -0.255 58.045 58.200 0.168 0.000 1.069 519 S CB 0.041 63.283 63.200 0.070 0.000 0.846 519 S HN 0.515 nan 8.310 nan 0.000 0.495 520 I N 2.369 123.059 120.570 0.200 0.000 2.315 520 I HA -0.216 3.954 4.170 -0.001 0.000 0.251 520 I C 1.951 178.118 176.117 0.083 0.000 1.125 520 I CA 1.464 62.883 61.300 0.198 0.000 1.392 520 I CB -0.430 37.618 38.000 0.081 0.000 1.065 520 I HN 0.587 nan 8.210 nan 0.000 0.424 521 K N 1.462 121.817 120.400 -0.075 0.000 2.103 521 K HA -0.117 4.202 4.320 -0.001 0.000 0.204 521 K C 2.270 178.890 176.600 0.033 0.000 1.052 521 K CA 1.450 57.623 56.287 -0.190 0.000 0.945 521 K CB -0.176 32.082 32.500 -0.404 0.000 0.722 521 K HN 0.391 nan 8.250 nan 0.000 0.443 522 K N 0.119 120.557 120.400 0.063 0.000 2.155 522 K HA -0.150 4.169 4.320 -0.001 0.000 0.203 522 K C 1.793 178.431 176.600 0.063 0.000 1.052 522 K CA 0.708 57.016 56.287 0.035 0.000 0.948 522 K CB -0.025 32.465 32.500 -0.016 0.000 0.728 522 K HN 0.198 nan 8.250 nan 0.000 0.448 523 W N 2.068 123.367 121.300 -0.001 0.000 2.335 523 W HA -0.178 4.482 4.660 -0.001 0.000 0.311 523 W C 1.607 178.119 176.519 -0.012 0.000 1.213 523 W CA 1.163 58.515 57.345 0.013 0.000 1.274 523 W CB -0.646 28.890 29.460 0.126 0.000 1.148 523 W HN 0.078 nan 8.180 nan 0.000 0.498 524 L N 0.858 122.251 121.223 0.283 0.000 2.081 524 L HA -0.258 4.081 4.340 -0.001 0.000 0.212 524 L C 2.348 179.291 176.870 0.122 0.000 1.080 524 L CA 2.022 56.960 54.840 0.163 0.000 0.754 524 L CB -1.081 41.060 42.059 0.137 0.000 0.893 524 L HN -0.007 nan 8.230 nan 0.000 0.433 525 S N -1.285 114.473 115.700 0.096 0.000 2.577 525 S HA 0.197 4.666 4.470 -0.001 0.000 0.219 525 S C 0.626 175.220 174.600 -0.010 0.000 0.962 525 S CA -0.493 57.732 58.200 0.041 0.000 0.921 525 S CB -0.474 62.747 63.200 0.034 0.000 0.789 525 S HN 0.176 nan 8.310 nan 0.000 0.497 526 L N 2.341 123.550 121.223 -0.022 0.000 2.525 526 L HA 0.200 4.539 4.340 -0.001 0.000 0.278 526 L C -2.192 174.647 176.870 -0.052 0.000 1.218 526 L CA -1.661 53.114 54.840 -0.109 0.000 0.878 526 L CB -0.189 41.774 42.059 -0.160 0.000 1.127 526 L HN 0.050 nan 8.230 nan 0.000 0.492 527 P HA -0.080 nan 4.420 nan 0.000 0.257 527 P C 0.772 178.064 177.300 -0.013 0.000 1.162 527 P CA 1.336 64.412 63.100 -0.040 0.000 0.762 527 P CB 0.472 32.141 31.700 -0.052 0.000 0.753 528 G N 2.076 110.877 108.800 0.001 0.000 2.363 528 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.238 528 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.238 528 G C 0.391 175.309 174.900 0.030 0.000 1.062 528 G CA 0.191 45.300 45.100 0.015 0.000 0.629 528 G HN 0.634 nan 8.290 nan 0.000 0.514 529 E N 1.436 121.661 120.200 0.042 0.000 2.413 529 E HA 0.489 4.838 4.350 -0.001 0.000 0.263 529 E C 1.419 178.048 176.600 0.048 0.000 1.015 529 E CA 1.252 57.691 56.400 0.065 0.000 0.916 529 E CB 0.663 30.432 29.700 0.115 0.000 0.947 529 E HN 0.767 nan 8.360 nan 0.000 0.440 530 T N 0.414 114.993 114.554 0.042 0.000 3.191 530 T HA 0.286 4.635 4.350 -0.001 0.000 0.285 530 T C 0.599 175.311 174.700 0.020 0.000 0.887 530 T CA -0.491 61.627 62.100 0.029 0.000 0.881 530 T CB 0.015 68.899 68.868 0.026 0.000 1.217 530 T HN 0.275 nan 8.240 nan 0.000 0.591 531 R N 2.505 123.014 120.500 0.014 0.000 2.801 531 R HA 0.411 4.750 4.340 -0.001 0.000 0.273 531 R C -2.450 173.835 176.300 -0.026 0.000 1.080 531 R CA -1.473 54.624 56.100 -0.005 0.000 1.197 531 R CB 0.070 30.360 30.300 -0.016 0.000 1.109 531 R HN 0.273 nan 8.270 nan 0.000 0.535 532 P HA 0.132 nan 4.420 nan 0.000 0.286 532 P C -1.191 176.044 177.300 -0.109 0.000 1.261 532 P CA -0.203 62.860 63.100 -0.062 0.000 0.821 532 P CB 0.935 32.601 31.700 -0.057 0.000 1.013 533 L N 3.941 125.082 121.223 -0.136 0.000 2.319 533 L HA 0.551 4.890 4.340 -0.001 0.000 0.281 533 L C -0.852 175.883 176.870 -0.224 0.000 1.005 533 L CA -0.772 53.949 54.840 -0.200 0.000 0.828 533 L CB 0.422 42.355 42.059 -0.210 0.000 1.227 533 L HN 0.267 nan 8.230 nan 0.000 0.415 534 I N 5.810 126.251 120.570 -0.215 0.000 2.468 534 I HA 0.238 4.408 4.170 -0.001 0.000 0.284 534 I C -0.690 175.338 176.117 -0.149 0.000 1.038 534 I CA -0.610 60.553 61.300 -0.228 0.000 1.083 534 I CB 1.910 39.831 38.000 -0.132 0.000 1.223 534 I HN 0.470 nan 8.210 nan 0.000 0.443 535 L N 5.597 126.703 121.223 -0.194 0.000 2.513 535 L HA 0.000 4.339 4.340 -0.001 0.000 0.272 535 L C 1.473 178.399 176.870 0.095 0.000 1.187 535 L CA -0.071 54.709 54.840 -0.100 0.000 0.895 535 L CB 0.459 42.422 42.059 -0.160 0.000 1.147 535 L HN 0.847 nan 8.230 nan 0.000 0.483 536 C N 0.067 119.402 119.300 0.057 0.000 2.500 536 C HA 0.215 4.674 4.460 -0.001 0.000 0.273 536 C C 0.553 175.652 174.990 0.180 0.000 1.428 536 C CA -0.335 58.739 59.018 0.093 0.000 1.766 536 C CB -1.266 26.456 27.740 -0.030 0.000 1.817 536 C HN 0.840 nan 8.230 nan 0.000 0.543 537 E N -0.624 119.637 120.200 0.101 0.000 2.397 537 E HA 0.535 4.884 4.350 -0.001 0.000 0.293 537 E C -1.485 174.988 176.600 -0.212 0.000 0.930 537 E CA -0.344 56.084 56.400 0.046 0.000 0.793 537 E CB 1.877 31.478 29.700 -0.165 0.000 1.259 537 E HN 0.547 nan 8.360 nan 0.000 0.406 538 Y N -0.574 119.636 120.300 -0.150 0.000 2.677 538 Y HA 0.628 5.177 4.550 -0.001 0.000 0.334 538 Y C -0.722 175.287 175.900 0.182 0.000 1.196 538 Y CA -0.797 57.224 58.100 -0.131 0.000 1.059 538 Y CB 0.672 38.935 38.460 -0.328 0.000 1.315 538 Y HN 0.707 nan 8.280 nan 0.000 0.455 539 A N 1.984 124.818 122.820 0.023 0.000 2.546 539 A HA -0.234 4.085 4.320 -0.001 0.000 0.295 539 A C -0.272 177.433 177.584 0.202 0.000 1.455 539 A CA 0.905 52.971 52.037 0.047 0.000 0.730 539 A CB -2.635 16.281 19.000 -0.140 0.000 1.111 539 A HN 1.245 nan 8.150 nan 0.000 0.411 540 H N 0.431 119.663 119.070 0.270 0.000 3.226 540 H HA 0.216 4.772 4.556 -0.001 0.000 0.260 540 H C 1.146 176.539 175.328 0.108 0.000 0.967 540 H CA 0.958 57.176 56.048 0.283 0.000 1.435 540 H CB 0.414 30.226 29.762 0.084 0.000 1.533 540 H HN 0.855 nan 8.280 nan 0.000 0.525 541 A N 6.725 129.490 122.820 -0.091 0.000 3.019 541 A HA 0.064 4.383 4.320 -0.001 0.000 0.262 541 A C 0.877 178.324 177.584 -0.228 0.000 1.509 541 A CA -0.413 51.526 52.037 -0.163 0.000 1.159 541 A CB -0.617 18.261 19.000 -0.204 0.000 1.042 541 A HN 0.799 nan 8.150 nan 0.000 0.641 542 M N 1.532 121.009 119.600 -0.205 0.000 2.193 542 M HA 0.449 4.929 4.480 -0.001 0.000 0.342 542 M C 0.923 177.069 176.300 -0.256 0.000 1.413 542 M CA 1.243 56.417 55.300 -0.210 0.000 1.191 542 M CB -0.358 32.183 32.600 -0.098 0.000 1.633 542 M HN 0.843 nan 8.290 nan 0.000 0.458 543 G N 4.512 113.120 108.800 -0.321 0.000 2.531 543 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.274 543 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.274 543 G C -0.209 174.105 174.900 -0.978 0.000 1.159 543 G CA 0.195 44.886 45.100 -0.681 0.000 0.969 543 G HN 0.817 nan 8.290 nan 0.000 0.554 544 N N 1.354 119.426 118.700 -1.047 0.000 2.807 544 N HA 0.530 5.269 4.740 -0.001 0.000 0.259 544 N C 0.156 175.440 175.510 -0.377 0.000 1.149 544 N CA 1.037 53.689 53.050 -0.663 0.000 1.042 544 N CB 0.411 38.606 38.487 -0.487 0.000 1.367 544 N HN 0.763 nan 8.380 nan 0.000 0.516 545 S N 1.666 117.208 115.700 -0.264 0.000 3.137 545 S HA 0.555 5.024 4.470 -0.001 0.000 0.292 545 S C 0.051 174.585 174.600 -0.110 0.000 1.041 545 S CA -0.354 57.746 58.200 -0.166 0.000 0.956 545 S CB 0.028 63.154 63.200 -0.124 0.000 1.360 545 S HN 0.336 nan 8.310 nan 0.000 0.690 546 L N 0.180 121.369 121.223 -0.056 0.000 4.291 546 L HA -0.065 4.274 4.340 -0.001 0.000 0.413 546 L C 0.347 177.251 176.870 0.057 0.000 1.162 546 L CA 0.949 55.779 54.840 -0.018 0.000 0.961 546 L CB -1.716 40.244 42.059 -0.166 0.000 2.095 546 L HN 0.663 nan 8.230 nan 0.000 0.838 547 G N -1.085 107.722 108.800 0.013 0.000 2.390 547 G HA2 0.526 4.485 3.960 -0.001 0.000 0.270 547 G HA3 0.526 4.485 3.960 -0.001 0.000 0.270 547 G C 1.150 176.070 174.900 0.033 0.000 1.211 547 G CA 0.043 45.124 45.100 -0.032 0.000 0.842 547 G HN 1.358 nan 8.290 nan 0.000 0.519 548 G N 1.341 110.151 108.800 0.018 0.000 2.157 548 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.248 548 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.248 548 G C 0.958 176.013 174.900 0.258 0.000 0.979 548 G CA 0.726 45.877 45.100 0.085 0.000 0.650 548 G HN 0.804 nan 8.290 nan 0.000 0.529 549 F N 1.770 121.824 119.950 0.173 0.000 2.134 549 F HA 0.199 4.725 4.527 -0.001 0.000 0.299 549 F C 2.624 178.630 175.800 0.343 0.000 1.097 549 F CA 2.392 60.570 58.000 0.297 0.000 1.264 549 F CB -0.358 38.761 39.000 0.198 0.000 1.001 549 F HN 0.325 nan 8.300 nan 0.000 0.479 550 A N -0.093 122.909 122.820 0.302 0.000 2.019 550 A HA -0.246 4.074 4.320 -0.001 0.000 0.219 550 A C 2.292 179.913 177.584 0.062 0.000 1.164 550 A CA 1.798 53.944 52.037 0.182 0.000 0.644 550 A CB -0.827 18.279 19.000 0.176 0.000 0.805 550 A HN 0.472 nan 8.150 nan 0.000 0.449 551 K N -1.746 118.665 120.400 0.019 0.000 2.097 551 K HA -0.174 4.145 4.320 -0.001 0.000 0.206 551 K C 1.715 178.112 176.600 -0.338 0.000 1.049 551 K CA 1.509 57.724 56.287 -0.120 0.000 0.933 551 K CB -0.316 32.106 32.500 -0.131 0.000 0.717 551 K HN 0.513 nan 8.250 nan 0.000 0.442 552 Y N -0.588 119.442 120.300 -0.450 0.000 2.145 552 Y HA -0.231 4.319 4.550 -0.001 0.000 0.286 552 Y C 1.925 176.880 175.900 -1.575 0.000 1.145 552 Y CA 1.752 59.244 58.100 -1.013 0.000 1.148 552 Y CB -0.370 37.499 38.460 -0.985 0.000 0.981 552 Y HN 0.180 nan 8.280 nan 0.000 0.507 553 W N -0.240 120.652 121.300 -0.679 0.000 2.388 553 W HA -0.171 4.488 4.660 -0.001 0.000 0.294 553 W C 2.596 178.959 176.519 -0.261 0.000 1.212 553 W CA 1.286 58.367 57.345 -0.439 0.000 1.271 553 W CB -0.601 28.686 29.460 -0.289 0.000 1.126 553 W HN 0.013 nan 8.180 nan 0.000 0.535 554 Q N 0.952 120.695 119.800 -0.095 0.000 2.061 554 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 554 Q C 2.204 178.157 176.000 -0.080 0.000 0.984 554 Q CA 2.330 58.103 55.803 -0.049 0.000 0.846 554 Q CB -0.736 27.973 28.738 -0.049 0.000 0.902 554 Q HN 0.282 nan 8.270 nan 0.000 0.421 555 A N -0.114 122.564 122.820 -0.237 0.000 1.930 555 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 555 A C 1.859 179.399 177.584 -0.073 0.000 1.175 555 A CA 1.133 53.033 52.037 -0.228 0.000 0.627 555 A CB -0.743 17.988 19.000 -0.448 0.000 0.815 555 A HN 0.359 nan 8.150 nan 0.000 0.443 556 F N 0.293 120.088 119.950 -0.259 0.000 2.134 556 F HA -0.106 4.421 4.527 -0.001 0.000 0.299 556 F C 2.527 178.248 175.800 -0.131 0.000 1.097 556 F CA 1.186 59.007 58.000 -0.298 0.000 1.264 556 F CB -0.761 37.875 39.000 -0.607 0.000 1.001 556 F HN 0.185 nan 8.300 nan 0.000 0.479 557 R N -0.225 120.354 120.500 0.132 0.000 2.115 557 R HA -0.145 4.195 4.340 -0.001 0.000 0.226 557 R C 2.129 178.475 176.300 0.076 0.000 1.100 557 R CA 1.154 57.303 56.100 0.083 0.000 0.980 557 R CB -0.477 29.863 30.300 0.068 0.000 0.875 557 R HN 0.390 nan 8.270 nan 0.000 0.445 558 Q N -0.133 119.744 119.800 0.128 0.000 2.137 558 Q HA -0.068 4.271 4.340 -0.001 0.000 0.198 558 Q C -0.396 175.675 176.000 0.118 0.000 0.960 558 Q CA 0.947 56.830 55.803 0.133 0.000 0.847 558 Q CB 0.312 29.174 28.738 0.205 0.000 0.915 558 Q HN 0.175 nan 8.270 nan 0.000 0.448 559 Y N 0.520 120.809 120.300 -0.019 0.000 2.404 559 Y HA 0.260 4.810 4.550 -0.001 0.000 0.344 559 Y C -1.777 174.103 175.900 -0.034 0.000 0.970 559 Y CA -2.857 55.230 58.100 -0.021 0.000 1.180 559 Y CB 1.234 39.687 38.460 -0.012 0.000 1.138 559 Y HN 0.152 nan 8.280 nan 0.000 0.510 560 P HA -0.208 nan 4.420 nan 0.000 0.216 560 P C 1.065 178.365 177.300 -0.000 0.000 1.157 560 P CA 2.004 65.103 63.100 -0.002 0.000 0.880 560 P CB 0.290 31.973 31.700 -0.028 0.000 0.791 561 R N -1.326 119.193 120.500 0.031 0.000 2.313 561 R HA 0.144 4.483 4.340 -0.001 0.000 0.199 561 R C 0.411 176.700 176.300 -0.020 0.000 0.958 561 R CA 0.010 56.112 56.100 0.005 0.000 1.047 561 R CB -0.344 29.968 30.300 0.021 0.000 0.955 561 R HN 0.235 nan 8.270 nan 0.000 0.481 562 L N 1.878 123.108 121.223 0.012 0.000 2.315 562 L HA 0.154 4.493 4.340 -0.001 0.000 0.278 562 L C 0.462 177.202 176.870 -0.218 0.000 1.088 562 L CA 0.098 54.906 54.840 -0.052 0.000 0.899 562 L CB 1.060 43.167 42.059 0.080 0.000 1.277 562 L HN 0.090 nan 8.230 nan 0.000 0.431 563 Q N 2.334 121.936 119.800 -0.331 0.000 2.228 563 Q HA 0.273 4.613 4.340 -0.001 0.000 0.211 563 Q C 0.874 176.455 176.000 -0.697 0.000 0.890 563 Q CA 0.138 55.695 55.803 -0.410 0.000 0.953 563 Q CB 0.743 29.328 28.738 -0.255 0.000 1.053 563 Q HN 0.909 nan 8.270 nan 0.000 0.471 564 G N -0.744 107.243 108.800 -1.355 0.000 2.428 564 G HA2 0.107 4.066 3.960 -0.001 0.000 0.202 564 G HA3 0.107 4.066 3.960 -0.001 0.000 0.202 564 G C -0.292 173.792 174.900 -1.360 0.000 1.247 564 G CA -0.785 43.189 45.100 -1.877 0.000 1.020 564 G HN 0.540 nan 8.290 nan 0.000 0.529 565 G N -2.346 105.924 108.800 -0.883 0.000 2.428 565 G HA2 0.664 4.623 3.960 -0.001 0.000 0.304 565 G HA3 0.664 4.623 3.960 -0.001 0.000 0.304 565 G C -1.980 172.838 174.900 -0.137 0.000 1.303 565 G CA -0.248 44.582 45.100 -0.450 0.000 0.825 565 G HN 1.178 nan 8.290 nan 0.000 0.484 566 F N 0.657 120.811 119.950 0.340 0.000 2.496 566 F HA 0.523 5.049 4.527 -0.001 0.000 0.341 566 F C 0.648 176.735 175.800 0.478 0.000 1.134 566 F CA -0.753 57.492 58.000 0.409 0.000 0.968 566 F CB 2.047 41.186 39.000 0.232 0.000 1.205 566 F HN 0.267 nan 8.300 nan 0.000 0.436 567 V N 3.062 123.285 119.914 0.514 0.000 2.872 567 V HA -0.112 4.007 4.120 -0.001 0.000 0.307 567 V C -0.327 175.925 176.094 0.263 0.000 1.072 567 V CA -0.192 62.213 62.300 0.175 0.000 1.148 567 V CB 0.752 32.698 31.823 0.205 0.000 0.954 567 V HN 0.781 nan 8.190 nan 0.000 0.490 568 W N 6.252 127.611 121.300 0.099 0.000 2.393 568 W HA 0.466 5.125 4.660 -0.001 0.000 0.315 568 W C -0.870 175.635 176.519 -0.024 0.000 1.009 568 W CA -0.675 56.755 57.345 0.142 0.000 1.313 568 W CB 1.457 31.141 29.460 0.372 0.000 1.269 568 W HN 0.927 nan 8.180 nan 0.000 0.420 569 D N 2.728 122.850 120.400 -0.464 0.000 2.895 569 D HA 0.078 4.717 4.640 -0.001 0.000 0.320 569 D C 0.568 176.665 176.300 -0.339 0.000 1.249 569 D CA -0.464 53.149 54.000 -0.646 0.000 0.997 569 D CB 0.346 40.175 40.800 -1.618 0.000 1.430 569 D HN 0.431 nan 8.370 nan 0.000 0.558 570 W N 0.476 121.463 121.300 -0.522 0.000 2.381 570 W HA 0.080 4.740 4.660 -0.001 0.000 0.323 570 W C 0.227 176.508 176.519 -0.396 0.000 1.194 570 W CA 1.139 58.227 57.345 -0.430 0.000 1.296 570 W CB 0.210 29.445 29.460 -0.375 0.000 1.175 570 W HN 0.122 nan 8.180 nan 0.000 0.465 571 V N 2.375 122.022 119.914 -0.446 0.000 2.769 571 V HA 0.240 4.360 4.120 -0.001 0.000 0.312 571 V C -0.760 175.113 176.094 -0.370 0.000 1.061 571 V CA -0.819 61.160 62.300 -0.534 0.000 0.931 571 V CB 1.535 33.124 31.823 -0.390 0.000 1.010 571 V HN -0.058 nan 8.190 nan 0.000 0.433 572 D N 3.991 124.187 120.400 -0.340 0.000 2.458 572 D HA 0.107 4.747 4.640 -0.001 0.000 0.243 572 D C 0.128 176.256 176.300 -0.287 0.000 1.146 572 D CA 0.615 54.474 54.000 -0.234 0.000 0.877 572 D CB 0.950 41.712 40.800 -0.063 0.000 1.176 572 D HN 0.593 nan 8.370 nan 0.000 0.461 573 Q N 1.297 120.853 119.800 -0.406 0.000 3.207 573 Q HA 0.141 4.481 4.340 -0.001 0.000 0.335 573 Q C -0.249 175.693 176.000 -0.096 0.000 1.374 573 Q CA -0.314 55.002 55.803 -0.811 0.000 1.023 573 Q CB 0.130 28.518 28.738 -0.583 0.000 1.576 573 Q HN 0.335 nan 8.270 nan 0.000 0.515 574 S N 0.137 115.903 115.700 0.110 0.000 2.565 574 S HA 0.661 5.131 4.470 -0.001 0.000 0.290 574 S C -0.192 174.554 174.600 0.243 0.000 1.150 574 S CA -0.844 57.528 58.200 0.286 0.000 1.058 574 S CB 1.560 64.899 63.200 0.231 0.000 1.032 574 S HN 0.324 nan 8.310 nan 0.000 0.510 575 L N 2.080 123.347 121.223 0.074 0.000 2.330 575 L HA 0.544 4.883 4.340 -0.001 0.000 0.271 575 L C -0.371 176.393 176.870 -0.176 0.000 1.013 575 L CA -1.223 53.529 54.840 -0.146 0.000 0.816 575 L CB 1.176 42.952 42.059 -0.472 0.000 1.287 575 L HN 0.526 nan 8.230 nan 0.000 0.435 576 I N 2.404 122.822 120.570 -0.254 0.000 2.371 576 I HA 0.284 4.454 4.170 -0.001 0.000 0.290 576 I C 0.176 175.898 176.117 -0.658 0.000 1.028 576 I CA -0.006 61.013 61.300 -0.469 0.000 1.345 576 I CB 1.060 38.819 38.000 -0.402 0.000 1.407 576 I HN 0.608 nan 8.210 nan 0.000 0.501 577 K N 5.566 125.278 120.400 -1.147 0.000 2.313 577 K HA 0.618 4.938 4.320 -0.001 0.000 0.235 577 K C -1.587 174.280 176.600 -1.223 0.000 1.035 577 K CA -0.728 54.875 56.287 -1.141 0.000 0.868 577 K CB 2.209 33.784 32.500 -1.541 0.000 1.232 577 K HN 0.227 nan 8.250 nan 0.000 0.459 578 Y N 0.628 120.761 120.300 -0.278 0.000 2.442 578 Y HA 0.132 4.682 4.550 -0.001 0.000 0.344 578 Y C -0.055 175.996 175.900 0.252 0.000 0.976 578 Y CA -1.255 56.865 58.100 0.034 0.000 1.040 578 Y CB 1.375 39.830 38.460 -0.009 0.000 1.228 578 Y HN 0.643 nan 8.280 nan 0.000 0.451 579 D N 1.486 122.170 120.400 0.474 0.000 2.433 579 D HA -0.001 4.638 4.640 -0.001 0.000 0.255 579 D C 0.923 177.328 176.300 0.176 0.000 1.226 579 D CA -0.291 53.880 54.000 0.284 0.000 1.015 579 D CB 0.743 41.637 40.800 0.156 0.000 1.091 579 D HN 0.687 nan 8.370 nan 0.000 0.527 580 E N 0.725 120.984 120.200 0.098 0.000 2.114 580 E HA -0.271 4.079 4.350 -0.001 0.000 0.199 580 E C 1.042 177.677 176.600 0.058 0.000 1.008 580 E CA 1.225 57.662 56.400 0.061 0.000 0.810 580 E CB -0.751 28.967 29.700 0.030 0.000 0.739 580 E HN 0.466 nan 8.360 nan 0.000 0.456 581 N N 0.974 119.714 118.700 0.067 0.000 2.512 581 N HA -0.010 4.729 4.740 -0.001 0.000 0.183 581 N C 1.125 176.680 175.510 0.076 0.000 1.073 581 N CA 1.234 54.320 53.050 0.060 0.000 0.911 581 N CB 0.284 38.806 38.487 0.057 0.000 0.964 581 N HN 0.493 nan 8.380 nan 0.000 0.447 582 G N 0.773 109.643 108.800 0.117 0.000 2.142 582 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.225 582 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.225 582 G C -0.562 174.483 174.900 0.242 0.000 1.015 582 G CA -0.367 44.807 45.100 0.124 0.000 0.716 582 G HN 0.376 nan 8.290 nan 0.000 0.508 583 N N 1.585 120.455 118.700 0.283 0.000 2.456 583 N HA 0.609 5.349 4.740 -0.001 0.000 0.288 583 N C -2.246 173.449 175.510 0.308 0.000 1.059 583 N CA -1.404 51.811 53.050 0.276 0.000 0.946 583 N CB 2.210 40.807 38.487 0.184 0.000 1.150 583 N HN 0.149 nan 8.380 nan 0.000 0.479 584 P HA 0.240 nan 4.420 nan 0.000 0.282 584 P C -1.006 176.253 177.300 -0.067 0.000 1.249 584 P CA -0.397 62.537 63.100 -0.278 0.000 0.806 584 P CB 0.720 32.264 31.700 -0.260 0.000 0.984 585 W N -0.321 120.748 121.300 -0.386 0.000 3.296 585 W HA 0.360 5.020 4.660 -0.001 0.000 0.314 585 W C -1.493 174.838 176.519 -0.314 0.000 1.238 585 W CA -1.005 56.121 57.345 -0.365 0.000 1.193 585 W CB 0.292 29.356 29.460 -0.660 0.000 1.383 585 W HN 0.128 nan 8.180 nan 0.000 0.545 586 S N 1.780 117.488 115.700 0.013 0.000 2.481 586 S HA 0.553 5.022 4.470 -0.001 0.000 0.276 586 S C 0.222 174.909 174.600 0.144 0.000 1.247 586 S CA -0.071 58.140 58.200 0.019 0.000 1.053 586 S CB 0.780 64.061 63.200 0.136 0.000 0.925 586 S HN 0.617 nan 8.310 nan 0.000 0.491 587 A N 2.911 125.708 122.820 -0.038 0.000 2.354 587 A HA 0.910 5.229 4.320 -0.001 0.000 0.321 587 A C -0.717 177.099 177.584 0.387 0.000 1.125 587 A CA -0.758 51.327 52.037 0.080 0.000 0.799 587 A CB 0.810 19.613 19.000 -0.329 0.000 1.293 587 A HN 0.843 nan 8.150 nan 0.000 0.452 588 Y N -0.867 119.779 120.300 0.576 0.000 3.265 588 Y HA 0.758 5.307 4.550 -0.001 0.000 0.285 588 Y C 0.714 176.970 175.900 0.594 0.000 1.889 588 Y CA -1.366 57.072 58.100 0.564 0.000 1.021 588 Y CB -0.208 38.378 38.460 0.210 0.000 1.513 588 Y HN 0.988 nan 8.280 nan 0.000 0.543 589 G N 0.114 109.343 108.800 0.716 0.000 2.138 589 G HA2 0.351 4.310 3.960 -0.001 0.000 0.244 589 G HA3 0.351 4.310 3.960 -0.001 0.000 0.244 589 G C 1.037 176.288 174.900 0.586 0.000 1.166 589 G CA 0.721 46.172 45.100 0.585 0.000 0.902 589 G HN 1.996 nan 8.290 nan 0.000 0.460 590 G N 2.459 111.553 108.800 0.490 0.000 2.347 590 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.247 590 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.247 590 G C 1.004 176.143 174.900 0.398 0.000 1.037 590 G CA 0.706 46.043 45.100 0.395 0.000 0.622 590 G HN 0.673 nan 8.290 nan 0.000 0.521 591 D N -0.024 120.647 120.400 0.453 0.000 2.411 591 D HA 0.051 4.690 4.640 -0.001 0.000 0.226 591 D C 1.062 177.366 176.300 0.006 0.000 0.988 591 D CA 0.742 54.892 54.000 0.250 0.000 0.938 591 D CB -0.232 40.691 40.800 0.204 0.000 0.883 591 D HN 0.481 nan 8.370 nan 0.000 0.525 592 F N -1.193 118.894 119.950 0.228 0.000 2.775 592 F HA 0.301 4.828 4.527 -0.001 0.000 0.313 592 F C 1.739 177.633 175.800 0.157 0.000 1.121 592 F CA -0.221 57.874 58.000 0.158 0.000 1.206 592 F CB 0.806 39.896 39.000 0.150 0.000 1.052 592 F HN -0.053 nan 8.300 nan 0.000 0.524 593 G N 0.390 109.355 108.800 0.276 0.000 2.179 593 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.260 593 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.260 593 G C -0.056 174.987 174.900 0.238 0.000 0.977 593 G CA 0.222 45.449 45.100 0.211 0.000 0.641 593 G HN 0.416 nan 8.290 nan 0.000 0.533 594 D N 0.396 120.987 120.400 0.319 0.000 2.425 594 D HA 0.486 5.126 4.640 -0.001 0.000 0.247 594 D C 0.138 176.567 176.300 0.215 0.000 1.147 594 D CA 1.056 55.229 54.000 0.289 0.000 0.879 594 D CB 1.569 42.593 40.800 0.373 0.000 1.179 594 D HN 0.541 nan 8.370 nan 0.000 0.456 595 T N 0.972 115.623 114.554 0.162 0.000 3.225 595 T HA 0.375 4.725 4.350 -0.001 0.000 0.356 595 T C -2.905 171.842 174.700 0.079 0.000 1.460 595 T CA -1.130 61.035 62.100 0.109 0.000 1.126 595 T CB 0.920 69.852 68.868 0.107 0.000 1.321 595 T HN 0.218 nan 8.240 nan 0.000 0.478 596 P HA 0.451 nan 4.420 nan 0.000 0.272 596 P C -0.913 176.380 177.300 -0.013 0.000 1.223 596 P CA -0.266 62.839 63.100 0.010 0.000 0.784 596 P CB 0.368 32.052 31.700 -0.026 0.000 0.923 597 N N -1.001 117.691 118.700 -0.013 0.000 2.405 597 N HA 0.317 5.056 4.740 -0.001 0.000 0.285 597 N C -1.242 174.207 175.510 -0.102 0.000 1.262 597 N CA -0.805 52.213 53.050 -0.054 0.000 0.773 597 N CB 1.166 39.717 38.487 0.107 0.000 1.490 597 N HN 0.079 nan 8.380 nan 0.000 0.486 598 D N 0.917 121.185 120.400 -0.221 0.000 3.088 598 D HA 0.212 4.852 4.640 -0.001 0.000 0.310 598 D C 0.255 176.663 176.300 0.181 0.000 1.351 598 D CA -0.245 53.671 54.000 -0.140 0.000 0.921 598 D CB 0.175 40.738 40.800 -0.396 0.000 1.045 598 D HN 0.411 nan 8.370 nan 0.000 0.504 599 R N 1.069 121.676 120.500 0.179 0.000 3.587 599 R HA -0.247 4.092 4.340 -0.001 0.000 0.556 599 R C 1.306 177.599 176.300 -0.011 0.000 0.241 599 R CA 1.371 57.558 56.100 0.145 0.000 1.724 599 R CB -1.338 28.979 30.300 0.028 0.000 0.885 599 R HN 0.393 nan 8.270 nan 0.000 0.613 600 Q N 1.183 120.723 119.800 -0.433 0.000 2.204 600 Q HA 0.118 4.457 4.340 -0.001 0.000 0.209 600 Q C 1.239 176.999 176.000 -0.400 0.000 0.861 600 Q CA 0.447 55.782 55.803 -0.780 0.000 0.971 600 Q CB 0.012 28.028 28.738 -1.203 0.000 1.095 600 Q HN 0.500 nan 8.270 nan 0.000 0.486 601 F N 1.375 121.256 119.950 -0.116 0.000 2.771 601 F HA -0.042 4.485 4.527 -0.001 0.000 0.299 601 F C 1.669 177.465 175.800 -0.006 0.000 1.177 601 F CA 0.473 58.480 58.000 0.012 0.000 1.450 601 F CB 0.071 39.119 39.000 0.080 0.000 1.114 601 F HN 0.427 nan 8.300 nan 0.000 0.587 602 C N -1.670 117.451 119.300 -0.299 0.000 2.791 602 C HA 0.360 4.820 4.460 -0.001 0.000 0.270 602 C C 0.830 175.639 174.990 -0.302 0.000 1.257 602 C CA -0.537 58.152 59.018 -0.548 0.000 1.699 602 C CB -1.575 25.263 27.740 -1.504 0.000 1.904 602 C HN 0.167 nan 8.230 nan 0.000 0.603 603 M N 2.567 122.033 119.600 -0.223 0.000 2.065 603 M HA 0.291 4.770 4.480 -0.001 0.000 0.332 603 M C -0.423 175.770 176.300 -0.179 0.000 0.988 603 M CA 0.330 55.526 55.300 -0.172 0.000 0.944 603 M CB -0.041 32.497 32.600 -0.103 0.000 1.357 603 M HN 0.345 nan 8.290 nan 0.000 0.388 604 N N 0.754 119.340 118.700 -0.191 0.000 2.241 604 N HA 0.190 4.929 4.740 -0.001 0.000 0.238 604 N C 0.512 175.807 175.510 -0.358 0.000 1.244 604 N CA -0.569 52.328 53.050 -0.255 0.000 0.880 604 N CB 1.238 39.643 38.487 -0.136 0.000 1.179 604 N HN 0.642 nan 8.380 nan 0.000 0.513 605 G N 0.091 108.635 108.800 -0.427 0.000 2.562 605 G HA2 0.331 4.290 3.960 -0.001 0.000 0.275 605 G HA3 0.331 4.290 3.960 -0.001 0.000 0.275 605 G C 0.639 175.035 174.900 -0.841 0.000 1.196 605 G CA -0.503 44.238 45.100 -0.599 0.000 0.908 605 G HN 0.113 nan 8.290 nan 0.000 0.524 606 L N -0.379 120.367 121.223 -0.795 0.000 2.558 606 L HA 0.198 4.538 4.340 -0.001 0.000 0.225 606 L C 0.536 176.798 176.870 -1.014 0.000 1.128 606 L CA 0.126 54.526 54.840 -0.733 0.000 0.868 606 L CB -0.117 41.709 42.059 -0.389 0.000 1.006 606 L HN 0.376 nan 8.230 nan 0.000 0.454 607 V N -5.382 113.795 119.914 -1.230 0.000 3.049 607 V HA 0.505 4.624 4.120 -0.001 0.000 0.309 607 V C -0.448 175.195 176.094 -0.750 0.000 1.148 607 V CA -1.195 60.551 62.300 -0.924 0.000 0.990 607 V CB 1.727 33.024 31.823 -0.876 0.000 1.039 607 V HN -0.145 nan 8.190 nan 0.000 0.430 608 F N 1.592 121.454 119.950 -0.147 0.000 2.403 608 F HA 0.641 5.168 4.527 -0.001 0.000 0.320 608 F C 1.958 177.677 175.800 -0.135 0.000 1.176 608 F CA 0.492 58.478 58.000 -0.023 0.000 1.206 608 F CB 0.895 39.915 39.000 0.034 0.000 1.235 608 F HN 0.819 nan 8.300 nan 0.000 0.565 609 A N 0.808 123.708 122.820 0.134 0.000 1.997 609 A HA -0.234 4.085 4.320 -0.001 0.000 0.221 609 A C 1.579 179.128 177.584 -0.058 0.000 1.172 609 A CA 2.055 54.116 52.037 0.040 0.000 0.645 609 A CB -1.047 18.009 19.000 0.093 0.000 0.813 609 A HN 0.789 nan 8.150 nan 0.000 0.454 610 D N -2.482 117.905 120.400 -0.021 0.000 2.370 610 D HA 0.158 4.797 4.640 -0.001 0.000 0.230 610 D C 0.265 176.538 176.300 -0.045 0.000 1.143 610 D CA -0.198 53.758 54.000 -0.072 0.000 0.834 610 D CB -0.171 40.596 40.800 -0.056 0.000 0.944 610 D HN 0.140 nan 8.370 nan 0.000 0.504 611 R N -0.943 119.515 120.500 -0.069 0.000 3.875 611 R HA -0.132 4.207 4.340 -0.001 0.000 0.321 611 R C -0.474 175.803 176.300 -0.038 0.000 1.196 611 R CA 0.867 56.907 56.100 -0.100 0.000 0.868 611 R CB -3.225 27.052 30.300 -0.037 0.000 1.333 611 R HN 0.232 nan 8.270 nan 0.000 0.522 612 T N 1.750 116.345 114.554 0.068 0.000 2.780 612 T HA 0.384 4.733 4.350 -0.001 0.000 0.294 612 T C -2.257 172.548 174.700 0.175 0.000 0.949 612 T CA -1.227 60.960 62.100 0.146 0.000 1.074 612 T CB 1.363 70.352 68.868 0.201 0.000 0.910 612 T HN -0.106 nan 8.240 nan 0.000 0.501 613 P HA 0.070 nan 4.420 nan 0.000 0.267 613 P C 0.000 177.350 177.300 0.083 0.000 1.200 613 P CA 0.054 63.154 63.100 0.001 0.000 0.772 613 P CB 0.412 32.127 31.700 0.025 0.000 0.855 614 H N 2.619 121.542 119.070 -0.246 0.000 2.517 614 H HA 0.148 4.703 4.556 -0.001 0.000 0.346 614 H C -1.368 173.890 175.328 -0.117 0.000 1.222 614 H CA -2.058 53.835 56.048 -0.258 0.000 1.314 614 H CB 0.714 30.277 29.762 -0.330 0.000 1.609 614 H HN 0.326 nan 8.280 nan 0.000 0.571 615 P HA -0.154 nan 4.420 nan 0.000 0.215 615 P C 1.184 178.495 177.300 0.019 0.000 1.153 615 P CA 1.651 64.753 63.100 0.004 0.000 0.853 615 P CB 0.001 31.698 31.700 -0.005 0.000 0.788 616 A N -0.476 122.359 122.820 0.025 0.000 2.032 616 A HA -0.217 4.102 4.320 -0.001 0.000 0.221 616 A C 2.090 179.630 177.584 -0.072 0.000 1.165 616 A CA 1.486 53.495 52.037 -0.046 0.000 0.645 616 A CB -1.689 17.257 19.000 -0.090 0.000 0.807 616 A HN 0.170 nan 8.150 nan 0.000 0.453 617 L N -0.585 120.619 121.223 -0.033 0.000 2.079 617 L HA -0.134 4.206 4.340 -0.001 0.000 0.210 617 L C 2.493 179.415 176.870 0.088 0.000 1.081 617 L CA 2.791 57.645 54.840 0.024 0.000 0.752 617 L CB -1.136 40.936 42.059 0.021 0.000 0.896 617 L HN 0.391 nan 8.230 nan 0.000 0.433 618 T N -1.461 113.145 114.554 0.087 0.000 2.746 618 T HA -0.219 4.130 4.350 -0.001 0.000 0.267 618 T C 1.817 176.630 174.700 0.190 0.000 1.039 618 T CA 1.527 63.727 62.100 0.167 0.000 1.142 618 T CB -0.123 68.816 68.868 0.117 0.000 0.866 618 T HN 0.522 nan 8.240 nan 0.000 0.444 619 E N 0.795 121.046 120.200 0.085 0.000 2.051 619 E HA 0.001 4.351 4.350 -0.001 0.000 0.192 619 E C 2.205 178.808 176.600 0.005 0.000 0.991 619 E CA 1.492 57.940 56.400 0.079 0.000 0.799 619 E CB -0.673 29.029 29.700 0.004 0.000 0.748 619 E HN 0.519 nan 8.360 nan 0.000 0.449 620 A N 1.132 123.850 122.820 -0.171 0.000 1.865 620 A HA -0.283 4.037 4.320 -0.001 0.000 0.217 620 A C 2.199 179.687 177.584 -0.161 0.000 1.191 620 A CA 2.130 54.020 52.037 -0.244 0.000 0.623 620 A CB -0.760 18.122 19.000 -0.198 0.000 0.826 620 A HN 0.298 nan 8.150 nan 0.000 0.444 621 K N -1.353 119.035 120.400 -0.020 0.000 2.020 621 K HA -0.314 4.005 4.320 -0.001 0.000 0.212 621 K C 2.093 178.607 176.600 -0.144 0.000 1.050 621 K CA 2.170 58.457 56.287 0.001 0.000 0.929 621 K CB -0.381 32.263 32.500 0.240 0.000 0.714 621 K HN 0.668 nan 8.250 nan 0.000 0.443 622 H N 0.506 119.408 119.070 -0.281 0.000 2.290 622 H HA -0.077 4.479 4.556 -0.001 0.000 0.298 622 H C 2.001 177.054 175.328 -0.459 0.000 1.087 622 H CA 2.029 57.705 56.048 -0.620 0.000 1.291 622 H CB -0.073 29.339 29.762 -0.582 0.000 1.369 622 H HN 0.246 nan 8.280 nan 0.000 0.492 623 Q N 0.179 119.691 119.800 -0.481 0.000 2.291 623 Q HA -0.097 4.243 4.340 -0.001 0.000 0.206 623 Q C 1.320 176.777 176.000 -0.904 0.000 0.976 623 Q CA 1.222 56.669 55.803 -0.592 0.000 0.875 623 Q CB 0.033 28.595 28.738 -0.294 0.000 0.927 623 Q HN 0.729 nan 8.270 nan 0.000 0.450 624 Q N 0.236 119.478 119.800 -0.930 0.000 2.212 624 Q HA 0.112 4.451 4.340 -0.001 0.000 0.213 624 Q C -0.173 175.313 176.000 -0.858 0.000 0.874 624 Q CA -0.225 54.889 55.803 -1.148 0.000 0.965 624 Q CB 0.388 28.459 28.738 -1.111 0.000 1.074 624 Q HN 0.372 nan 8.270 nan 0.000 0.473 625 Q N -0.476 118.954 119.800 -0.616 0.000 2.479 625 Q HA 0.002 4.342 4.340 -0.001 0.000 0.267 625 Q C -0.151 175.504 176.000 -0.576 0.000 1.071 625 Q CA 0.440 56.021 55.803 -0.370 0.000 0.935 625 Q CB 0.453 29.063 28.738 -0.213 0.000 1.295 625 Q HN 0.296 nan 8.270 nan 0.000 0.476 626 F N -0.205 119.483 119.950 -0.435 0.000 2.653 626 F HA 0.273 4.800 4.527 -0.001 0.000 0.304 626 F C -0.425 174.821 175.800 -0.924 0.000 1.092 626 F CA -0.096 57.410 58.000 -0.822 0.000 1.279 626 F CB 0.613 38.752 39.000 -1.435 0.000 1.044 626 F HN 0.270 nan 8.300 nan 0.000 0.564 627 F N 0.788 120.667 119.950 -0.118 0.000 2.536 627 F HA 0.469 4.996 4.527 -0.001 0.000 0.322 627 F C -0.219 175.265 175.800 -0.526 0.000 1.144 627 F CA -1.272 56.556 58.000 -0.287 0.000 0.924 627 F CB 1.345 40.239 39.000 -0.177 0.000 1.181 627 F HN -0.272 nan 8.300 nan 0.000 0.438 628 Q N 3.613 123.175 119.800 -0.397 0.000 2.282 628 Q HA 0.559 4.898 4.340 -0.001 0.000 0.260 628 Q C -1.304 174.400 176.000 -0.492 0.000 0.964 628 Q CA -0.505 55.105 55.803 -0.320 0.000 0.880 628 Q CB 2.648 31.308 28.738 -0.130 0.000 1.286 628 Q HN 0.486 nan 8.270 nan 0.000 0.445 629 F N 0.481 120.559 119.950 0.214 0.000 2.546 629 F HA 0.608 5.134 4.527 -0.001 0.000 0.320 629 F C 0.390 176.453 175.800 0.439 0.000 1.076 629 F CA -0.860 57.348 58.000 0.347 0.000 0.928 629 F CB 1.833 41.167 39.000 0.557 0.000 1.189 629 F HN 0.161 nan 8.300 nan 0.000 0.465 630 R N 1.497 122.312 120.500 0.524 0.000 2.725 630 R HA 0.706 5.046 4.340 -0.001 0.000 0.277 630 R C -2.022 174.327 176.300 0.082 0.000 0.987 630 R CA -1.194 55.131 56.100 0.375 0.000 0.901 630 R CB 2.950 33.364 30.300 0.190 0.000 1.207 630 R HN 0.553 nan 8.270 nan 0.000 0.463 631 L N 0.734 121.878 121.223 -0.130 0.000 2.346 631 L HA 0.522 4.861 4.340 -0.001 0.000 0.276 631 L C -0.888 175.827 176.870 -0.259 0.000 1.006 631 L CA 0.031 54.568 54.840 -0.504 0.000 0.817 631 L CB 2.150 43.433 42.059 -1.292 0.000 1.272 631 L HN 0.549 nan 8.230 nan 0.000 0.421 632 S N 3.636 119.201 115.700 -0.225 0.000 2.524 632 S HA 0.622 5.092 4.470 -0.001 0.000 0.227 632 S C 0.462 174.972 174.600 -0.150 0.000 1.304 632 S CA 0.221 58.337 58.200 -0.141 0.000 1.185 632 S CB -0.132 63.015 63.200 -0.089 0.000 1.104 632 S HN 1.491 nan 8.310 nan 0.000 0.475 633 G N 4.408 113.116 108.800 -0.154 0.000 3.181 633 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.322 633 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.322 633 G C 0.666 175.462 174.900 -0.175 0.000 1.246 633 G CA 0.767 45.784 45.100 -0.139 0.000 0.989 633 G HN 0.596 nan 8.290 nan 0.000 0.607 634 Q N 1.083 120.787 119.800 -0.160 0.000 2.352 634 Q HA 0.221 4.560 4.340 -0.001 0.000 0.212 634 Q C 0.736 176.609 176.000 -0.211 0.000 0.888 634 Q CA 0.971 56.663 55.803 -0.185 0.000 0.934 634 Q CB 0.649 29.300 28.738 -0.145 0.000 1.093 634 Q HN 0.561 nan 8.270 nan 0.000 0.523 635 T N 1.374 115.816 114.554 -0.187 0.000 2.795 635 T HA 0.519 4.868 4.350 -0.001 0.000 0.282 635 T C 0.260 174.838 174.700 -0.204 0.000 0.980 635 T CA -0.283 61.714 62.100 -0.171 0.000 1.012 635 T CB 1.151 69.953 68.868 -0.111 0.000 0.936 635 T HN -0.023 nan 8.240 nan 0.000 0.457 636 I N 2.790 123.250 120.570 -0.183 0.000 2.336 636 I HA 0.324 4.493 4.170 -0.001 0.000 0.292 636 I C 0.507 176.618 176.117 -0.010 0.000 0.991 636 I CA -0.564 60.644 61.300 -0.153 0.000 1.227 636 I CB 1.289 39.219 38.000 -0.117 0.000 1.366 636 I HN 0.554 nan 8.210 nan 0.000 0.466 637 E N 6.560 126.790 120.200 0.049 0.000 2.145 637 E HA 0.435 4.784 4.350 -0.001 0.000 0.270 637 E C -1.559 175.116 176.600 0.125 0.000 0.906 637 E CA -0.610 55.832 56.400 0.070 0.000 0.761 637 E CB 1.778 31.503 29.700 0.042 0.000 1.116 637 E HN 0.343 nan 8.360 nan 0.000 0.408 638 V N 4.110 124.072 119.914 0.080 0.000 2.398 638 V HA 0.337 4.457 4.120 -0.001 0.000 0.286 638 V C -0.054 176.016 176.094 -0.040 0.000 1.026 638 V CA -0.547 61.736 62.300 -0.028 0.000 0.868 638 V CB 1.626 33.456 31.823 0.012 0.000 0.982 638 V HN 0.696 nan 8.190 nan 0.000 0.443 639 T N 3.098 117.598 114.554 -0.092 0.000 2.829 639 T HA 0.385 4.735 4.350 -0.001 0.000 0.280 639 T C -0.054 174.660 174.700 0.023 0.000 0.999 639 T CA -0.366 61.719 62.100 -0.025 0.000 0.983 639 T CB 1.650 70.492 68.868 -0.043 0.000 0.968 639 T HN 0.652 nan 8.240 nan 0.000 0.446 640 S N 1.300 117.041 115.700 0.068 0.000 2.525 640 S HA 0.232 4.701 4.470 -0.001 0.000 0.278 640 S C 0.668 175.199 174.600 -0.115 0.000 1.234 640 S CA -0.599 57.628 58.200 0.044 0.000 1.058 640 S CB 0.579 63.875 63.200 0.159 0.000 0.983 640 S HN 0.716 nan 8.310 nan 0.000 0.495 641 E N 2.680 122.705 120.200 -0.292 0.000 2.501 641 E HA 0.099 4.448 4.350 -0.001 0.000 0.200 641 E C -0.843 175.599 176.600 -0.263 0.000 1.016 641 E CA -0.096 56.139 56.400 -0.276 0.000 0.921 641 E CB 0.334 29.823 29.700 -0.350 0.000 1.034 641 E HN 0.628 nan 8.360 nan 0.000 0.468 642 Y N 0.310 120.530 120.300 -0.134 0.000 2.326 642 Y HA 0.070 4.620 4.550 -0.001 0.000 0.333 642 Y C 1.376 177.136 175.900 -0.233 0.000 1.240 642 Y CA 0.230 58.246 58.100 -0.139 0.000 1.365 642 Y CB 0.728 39.090 38.460 -0.163 0.000 1.289 642 Y HN -0.067 nan 8.280 nan 0.000 0.548 643 L N 0.563 121.636 121.223 -0.250 0.000 2.575 643 L HA 0.096 4.435 4.340 -0.001 0.000 0.228 643 L C 0.393 176.819 176.870 -0.740 0.000 1.075 643 L CA 0.379 54.821 54.840 -0.664 0.000 0.867 643 L CB 0.111 41.451 42.059 -1.199 0.000 1.097 643 L HN 0.546 nan 8.230 nan 0.000 0.485 644 F N -0.702 119.277 119.950 0.048 0.000 2.347 644 F HA 0.223 4.750 4.527 -0.001 0.000 0.266 644 F C 1.392 177.187 175.800 -0.008 0.000 0.884 644 F CA -0.848 57.149 58.000 -0.006 0.000 1.123 644 F CB -0.460 38.511 39.000 -0.048 0.000 1.098 644 F HN -0.198 nan 8.300 nan 0.000 0.803 645 R N 0.939 121.507 120.500 0.112 0.000 2.863 645 R HA 0.200 4.539 4.340 -0.001 0.000 0.273 645 R C -0.875 175.450 176.300 0.041 0.000 1.057 645 R CA -0.210 55.884 56.100 -0.011 0.000 1.191 645 R CB 0.084 30.237 30.300 -0.245 0.000 1.104 645 R HN 0.245 nan 8.270 nan 0.000 0.519 646 H N -0.519 118.532 119.070 -0.032 0.000 2.567 646 H HA 0.178 4.733 4.556 -0.001 0.000 0.345 646 H C -0.344 175.012 175.328 0.047 0.000 1.169 646 H CA -0.248 55.821 56.048 0.036 0.000 1.227 646 H CB 1.635 31.420 29.762 0.037 0.000 1.607 646 H HN 0.728 nan 8.280 nan 0.000 0.534 647 S N 1.574 117.254 115.700 -0.034 0.000 4.085 647 S HA -0.021 4.449 4.470 -0.001 0.000 0.189 647 S C 0.043 174.725 174.600 0.137 0.000 1.392 647 S CA -0.128 58.155 58.200 0.138 0.000 0.972 647 S CB -0.982 62.313 63.200 0.157 0.000 1.482 647 S HN 0.692 nan 8.310 nan 0.000 0.446 648 D N 0.388 120.879 120.400 0.152 0.000 2.328 648 D HA 0.021 4.660 4.640 -0.001 0.000 0.226 648 D C 0.522 176.875 176.300 0.089 0.000 1.066 648 D CA -0.067 54.014 54.000 0.136 0.000 0.861 648 D CB -0.240 40.632 40.800 0.119 0.000 0.912 648 D HN 0.515 nan 8.370 nan 0.000 0.521 649 N N -0.202 118.554 118.700 0.094 0.000 2.598 649 N HA 0.158 4.897 4.740 -0.001 0.000 0.295 649 N C -1.518 174.058 175.510 0.109 0.000 1.729 649 N CA -0.292 52.807 53.050 0.081 0.000 0.877 649 N CB 0.364 38.888 38.487 0.061 0.000 1.405 649 N HN 0.003 nan 8.380 nan 0.000 0.491 650 E N -0.143 120.118 120.200 0.102 0.000 2.390 650 E HA 0.556 4.905 4.350 -0.001 0.000 0.277 650 E C -1.354 175.282 176.600 0.059 0.000 0.939 650 E CA -0.810 55.648 56.400 0.096 0.000 0.769 650 E CB 2.300 32.059 29.700 0.098 0.000 1.251 650 E HN 0.262 nan 8.360 nan 0.000 0.450 651 L N -0.221 121.043 121.223 0.069 0.000 2.482 651 L HA 0.651 4.990 4.340 -0.001 0.000 0.263 651 L C -1.582 175.352 176.870 0.107 0.000 0.957 651 L CA -1.316 53.568 54.840 0.073 0.000 0.836 651 L CB 1.223 43.327 42.059 0.076 0.000 1.324 651 L HN 0.488 nan 8.230 nan 0.000 0.406 652 L N 3.440 124.733 121.223 0.117 0.000 2.380 652 L HA 0.434 4.773 4.340 -0.001 0.000 0.273 652 L C -0.588 176.418 176.870 0.227 0.000 1.138 652 L CA 0.644 55.593 54.840 0.182 0.000 0.832 652 L CB 0.310 42.489 42.059 0.199 0.000 1.124 652 L HN 0.694 nan 8.230 nan 0.000 0.454 653 H N 6.573 125.725 119.070 0.137 0.000 2.708 653 H HA 0.287 4.842 4.556 -0.001 0.000 0.320 653 H C -1.342 174.070 175.328 0.141 0.000 0.991 653 H CA -0.641 55.456 56.048 0.082 0.000 1.243 653 H CB 0.621 30.399 29.762 0.027 0.000 1.446 653 H HN 0.750 nan 8.280 nan 0.000 0.502 654 W N 5.400 126.801 121.300 0.169 0.000 2.655 654 W HA 0.676 5.335 4.660 -0.001 0.000 0.358 654 W C -1.529 175.087 176.519 0.162 0.000 1.100 654 W CA -1.333 56.110 57.345 0.163 0.000 1.195 654 W CB 1.702 31.218 29.460 0.093 0.000 1.403 654 W HN 0.463 nan 8.180 nan 0.000 0.589 655 M N 2.745 122.599 119.600 0.423 0.000 2.346 655 M HA 0.304 4.784 4.480 -0.001 0.000 0.287 655 M C -2.471 174.043 176.300 0.356 0.000 1.100 655 M CA -0.311 55.101 55.300 0.187 0.000 0.950 655 M CB 1.907 34.533 32.600 0.042 0.000 1.815 655 M HN 0.278 nan 8.290 nan 0.000 0.497 656 V N 3.573 123.698 119.914 0.351 0.000 2.472 656 V HA 0.955 5.074 4.120 -0.001 0.000 0.290 656 V C -0.097 176.114 176.094 0.196 0.000 1.037 656 V CA -0.345 62.139 62.300 0.306 0.000 0.908 656 V CB 1.422 33.434 31.823 0.315 0.000 0.985 656 V HN 0.898 nan 8.190 nan 0.000 0.454 657 A N 4.496 127.441 122.820 0.209 0.000 2.455 657 A HA 0.769 5.088 4.320 -0.001 0.000 0.300 657 A C -1.378 176.331 177.584 0.208 0.000 1.040 657 A CA -0.579 51.548 52.037 0.149 0.000 0.697 657 A CB 1.521 20.565 19.000 0.072 0.000 1.265 657 A HN 0.790 nan 8.150 nan 0.000 0.407 658 L N 2.182 123.493 121.223 0.147 0.000 2.261 658 L HA 0.426 4.765 4.340 -0.001 0.000 0.289 658 L C -0.294 176.673 176.870 0.161 0.000 1.059 658 L CA 0.361 55.304 54.840 0.171 0.000 0.816 658 L CB -0.171 41.954 42.059 0.110 0.000 1.191 658 L HN 0.751 nan 8.230 nan 0.000 0.431 659 D N 5.118 125.684 120.400 0.278 0.000 2.720 659 D HA -0.226 4.414 4.640 -0.001 0.000 0.229 659 D C 1.194 177.484 176.300 -0.016 0.000 1.198 659 D CA 1.341 55.478 54.000 0.229 0.000 0.639 659 D CB -0.899 40.026 40.800 0.208 0.000 1.003 659 D HN 1.132 nan 8.370 nan 0.000 0.411 660 G N -0.307 108.428 108.800 -0.108 0.000 2.358 660 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.224 660 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.224 660 G C 0.231 175.032 174.900 -0.164 0.000 1.073 660 G CA 0.271 45.214 45.100 -0.261 0.000 0.635 660 G HN 0.492 nan 8.290 nan 0.000 0.509 661 K N 3.239 123.595 120.400 -0.074 0.000 2.363 661 K HA 0.410 4.729 4.320 -0.001 0.000 0.289 661 K C -2.307 174.281 176.600 -0.019 0.000 1.063 661 K CA -1.132 55.127 56.287 -0.047 0.000 0.967 661 K CB 1.188 33.679 32.500 -0.014 0.000 0.987 661 K HN 0.309 nan 8.250 nan 0.000 0.473 662 P HA 0.006 nan 4.420 nan 0.000 0.272 662 P C -0.142 177.162 177.300 0.007 0.000 1.223 662 P CA -0.074 63.017 63.100 -0.015 0.000 0.784 662 P CB 1.053 32.724 31.700 -0.048 0.000 0.923 663 L N 0.236 121.479 121.223 0.033 0.000 2.678 663 L HA 0.428 4.768 4.340 -0.001 0.000 0.187 663 L C 1.103 177.998 176.870 0.041 0.000 1.073 663 L CA 0.206 55.072 54.840 0.043 0.000 0.883 663 L CB -0.276 41.827 42.059 0.073 0.000 1.501 663 L HN 0.364 nan 8.230 nan 0.000 0.488 664 A N -0.076 122.787 122.820 0.072 0.000 2.485 664 A HA 0.858 5.178 4.320 -0.001 0.000 0.292 664 A C -0.667 176.807 177.584 -0.184 0.000 1.147 664 A CA 0.156 52.223 52.037 0.049 0.000 0.750 664 A CB 1.850 21.011 19.000 0.269 0.000 1.331 664 A HN 0.234 nan 8.150 nan 0.000 0.419 665 S N -1.572 113.749 115.700 -0.631 0.000 2.643 665 S HA 0.874 5.343 4.470 -0.001 0.000 0.266 665 S C -0.277 173.382 174.600 -1.569 0.000 1.130 665 S CA 0.137 57.529 58.200 -1.346 0.000 0.817 665 S CB 0.695 63.534 63.200 -0.602 0.000 1.107 665 S HN 2.654 nan 8.310 nan 0.000 0.471 666 G N -0.140 107.617 108.800 -1.738 0.000 2.348 666 G HA2 0.622 4.581 3.960 -0.001 0.000 0.296 666 G HA3 0.622 4.581 3.960 -0.001 0.000 0.296 666 G C -2.219 172.241 174.900 -0.734 0.000 1.258 666 G CA -0.078 44.488 45.100 -0.889 0.000 0.868 666 G HN 1.594 nan 8.290 nan 0.000 0.488 667 E N -1.526 118.562 120.200 -0.185 0.000 2.597 667 E HA 0.493 4.842 4.350 -0.001 0.000 0.310 667 E C -1.758 174.890 176.600 0.081 0.000 0.970 667 E CA -0.930 55.425 56.400 -0.075 0.000 0.819 667 E CB 1.650 31.192 29.700 -0.264 0.000 1.267 667 E HN 0.554 nan 8.360 nan 0.000 0.411 668 V N 3.132 123.136 119.914 0.149 0.000 2.513 668 V HA 0.559 4.678 4.120 -0.001 0.000 0.299 668 V C -1.982 174.163 176.094 0.085 0.000 1.035 668 V CA -1.919 60.450 62.300 0.113 0.000 0.889 668 V CB 1.505 33.401 31.823 0.121 0.000 0.988 668 V HN 0.691 nan 8.190 nan 0.000 0.440 669 P HA 0.223 nan 4.420 nan 0.000 0.271 669 P C -0.921 176.408 177.300 0.049 0.000 1.218 669 P CA -0.199 62.934 63.100 0.055 0.000 0.780 669 P CB 1.207 32.938 31.700 0.051 0.000 0.901 670 L N 2.630 123.872 121.223 0.031 0.000 2.264 670 L HA 0.282 4.621 4.340 -0.001 0.000 0.289 670 L C 0.450 177.330 176.870 0.017 0.000 1.044 670 L CA 0.076 54.914 54.840 -0.004 0.000 0.807 670 L CB 0.722 42.722 42.059 -0.099 0.000 1.192 670 L HN 0.352 nan 8.230 nan 0.000 0.425 671 D N 3.235 123.648 120.400 0.021 0.000 2.502 671 D HA 0.316 4.955 4.640 -0.001 0.000 0.301 671 D C -1.126 175.150 176.300 -0.041 0.000 1.202 671 D CA -0.154 53.878 54.000 0.054 0.000 0.878 671 D CB 0.840 41.715 40.800 0.125 0.000 1.062 671 D HN 0.037 nan 8.370 nan 0.000 0.499 672 V N 1.277 121.071 119.914 -0.199 0.000 2.417 672 V HA 0.821 4.941 4.120 -0.001 0.000 0.291 672 V C 0.719 176.529 176.094 -0.472 0.000 1.024 672 V CA -1.242 60.950 62.300 -0.181 0.000 0.861 672 V CB 1.299 33.138 31.823 0.027 0.000 0.985 672 V HN 0.487 nan 8.190 nan 0.000 0.436 673 A N 6.943 129.615 122.820 -0.246 0.000 2.322 673 A HA 0.725 5.045 4.320 -0.001 0.000 0.269 673 A C -2.197 175.399 177.584 0.021 0.000 1.094 673 A CA -1.647 50.355 52.037 -0.058 0.000 0.807 673 A CB 0.064 19.176 19.000 0.186 0.000 1.047 673 A HN 0.696 nan 8.150 nan 0.000 0.487 674 P HA -0.038 nan 4.420 nan 0.000 0.262 674 P C -0.392 176.919 177.300 0.018 0.000 1.182 674 P CA 0.761 63.894 63.100 0.056 0.000 0.761 674 P CB 0.744 32.467 31.700 0.039 0.000 0.795 675 Q N -1.085 118.711 119.800 -0.006 0.000 2.301 675 Q HA -0.159 4.181 4.340 -0.001 0.000 0.163 675 Q C 0.894 176.893 176.000 -0.002 0.000 0.576 675 Q CA 1.975 57.764 55.803 -0.024 0.000 1.368 675 Q CB -2.585 26.134 28.738 -0.032 0.000 1.325 675 Q HN 0.760 nan 8.270 nan 0.000 0.946 676 G N 0.720 109.531 108.800 0.018 0.000 2.621 676 G HA2 0.451 4.411 3.960 -0.001 0.000 0.271 676 G HA3 0.451 4.411 3.960 -0.001 0.000 0.271 676 G C -0.147 174.767 174.900 0.024 0.000 1.236 676 G CA -0.342 44.773 45.100 0.024 0.000 0.958 676 G HN 0.011 nan 8.290 nan 0.000 0.512 677 K N -0.696 119.718 120.400 0.023 0.000 2.395 677 K HA 0.479 4.798 4.320 -0.001 0.000 0.247 677 K C -0.922 175.692 176.600 0.024 0.000 0.973 677 K CA -0.650 55.649 56.287 0.021 0.000 0.828 677 K CB 2.555 35.063 32.500 0.015 0.000 1.272 677 K HN 0.529 nan 8.250 nan 0.000 0.439 678 Q N 2.481 122.295 119.800 0.024 0.000 2.289 678 Q HA 0.380 4.720 4.340 -0.001 0.000 0.270 678 Q C -1.699 174.317 176.000 0.026 0.000 1.038 678 Q CA -0.617 55.201 55.803 0.026 0.000 0.812 678 Q CB 1.565 30.318 28.738 0.025 0.000 1.300 678 Q HN 0.539 nan 8.270 nan 0.000 0.427 679 L N 4.793 126.026 121.223 0.017 0.000 2.309 679 L HA 0.574 4.913 4.340 -0.001 0.000 0.282 679 L C -0.458 176.411 176.870 -0.003 0.000 1.036 679 L CA -0.679 54.164 54.840 0.004 0.000 0.806 679 L CB 1.377 43.431 42.059 -0.008 0.000 1.220 679 L HN 0.585 nan 8.230 nan 0.000 0.429 680 I N 2.593 123.153 120.570 -0.018 0.000 2.418 680 I HA 0.204 4.374 4.170 -0.001 0.000 0.287 680 I C -0.399 175.659 176.117 -0.100 0.000 1.008 680 I CA -0.544 60.733 61.300 -0.039 0.000 1.104 680 I CB 2.150 40.140 38.000 -0.016 0.000 1.264 680 I HN 0.531 nan 8.210 nan 0.000 0.438 681 E N 7.293 127.434 120.200 -0.098 0.000 2.044 681 E HA 0.372 4.721 4.350 -0.001 0.000 0.282 681 E C -0.995 175.494 176.600 -0.185 0.000 1.031 681 E CA -0.324 55.999 56.400 -0.128 0.000 0.824 681 E CB 0.669 30.320 29.700 -0.083 0.000 1.076 681 E HN 0.451 nan 8.360 nan 0.000 0.395 682 L N 6.733 127.781 121.223 -0.292 0.000 2.426 682 L HA 0.321 4.661 4.340 -0.001 0.000 0.271 682 L C -1.592 175.112 176.870 -0.276 0.000 1.169 682 L CA -1.809 52.762 54.840 -0.448 0.000 0.836 682 L CB 0.379 42.031 42.059 -0.678 0.000 1.112 682 L HN 0.544 nan 8.230 nan 0.000 0.465 683 P HA -0.056 nan 4.420 nan 0.000 0.272 683 P C -0.540 176.709 177.300 -0.084 0.000 1.230 683 P CA -0.460 62.595 63.100 -0.075 0.000 0.788 683 P CB 0.444 32.163 31.700 0.032 0.000 0.949 684 E N 2.036 122.210 120.200 -0.044 0.000 2.558 684 E HA -0.046 4.303 4.350 -0.001 0.000 0.235 684 E C -0.055 176.536 176.600 -0.016 0.000 1.217 684 E CA -0.104 56.274 56.400 -0.037 0.000 0.955 684 E CB -0.585 29.105 29.700 -0.017 0.000 1.027 684 E HN 0.285 nan 8.360 nan 0.000 0.491 685 L N 5.970 127.168 121.223 -0.042 0.000 2.536 685 L HA 0.001 4.341 4.340 -0.001 0.000 0.294 685 L C -1.424 175.470 176.870 0.039 0.000 1.257 685 L CA -1.178 53.666 54.840 0.005 0.000 0.850 685 L CB -0.368 41.673 42.059 -0.029 0.000 1.105 685 L HN 0.539 nan 8.230 nan 0.000 0.517 686 P HA -0.049 nan 4.420 nan 0.000 0.264 686 P C -0.963 176.364 177.300 0.044 0.000 1.193 686 P CA -0.296 62.842 63.100 0.064 0.000 0.763 686 P CB 0.780 32.530 31.700 0.084 0.000 0.810 687 Q N 5.310 125.129 119.800 0.031 0.000 2.344 687 Q HA 0.228 4.567 4.340 -0.001 0.000 0.253 687 Q C -1.793 174.223 176.000 0.027 0.000 1.050 687 Q CA -1.875 53.941 55.803 0.022 0.000 0.912 687 Q CB -0.183 28.564 28.738 0.014 0.000 1.258 687 Q HN 0.379 nan 8.270 nan 0.000 0.443 688 P HA 0.003 nan 4.420 nan 0.000 0.271 688 P C -0.602 176.714 177.300 0.027 0.000 1.233 688 P CA 0.160 63.281 63.100 0.035 0.000 0.789 688 P CB 1.113 32.837 31.700 0.039 0.000 0.951 689 E N -0.983 119.235 120.200 0.030 0.000 3.441 689 E HA 0.056 4.406 4.350 -0.001 0.000 0.195 689 E C 0.783 177.400 176.600 0.028 0.000 1.172 689 E CA -0.343 56.072 56.400 0.025 0.000 1.457 689 E CB -0.629 29.085 29.700 0.023 0.000 1.388 689 E HN 0.346 nan 8.360 nan 0.000 0.551 690 S N 0.837 116.557 115.700 0.032 0.000 2.563 690 S HA 0.283 4.752 4.470 -0.001 0.000 0.269 690 S C 0.360 174.985 174.600 0.042 0.000 1.364 690 S CA 0.178 58.400 58.200 0.036 0.000 1.010 690 S CB 0.393 63.616 63.200 0.039 0.000 0.877 690 S HN 0.468 nan 8.310 nan 0.000 0.549 691 A N 2.048 124.895 122.820 0.044 0.000 2.407 691 A HA 0.676 4.995 4.320 -0.001 0.000 0.248 691 A C 0.884 178.507 177.584 0.065 0.000 1.082 691 A CA 0.352 52.419 52.037 0.049 0.000 0.785 691 A CB -0.492 18.538 19.000 0.049 0.000 1.020 691 A HN 1.821 nan 8.150 nan 0.000 0.489 692 G N -0.344 108.498 108.800 0.070 0.000 2.356 692 G HA2 0.448 4.408 3.960 -0.001 0.000 0.288 692 G HA3 0.448 4.408 3.960 -0.001 0.000 0.288 692 G C -1.474 173.484 174.900 0.096 0.000 1.302 692 G CA -0.348 44.813 45.100 0.102 0.000 0.887 692 G HN 1.043 nan 8.290 nan 0.000 0.521 693 Q N 0.065 119.960 119.800 0.159 0.000 2.341 693 Q HA 0.697 5.036 4.340 -0.001 0.000 0.268 693 Q C -0.555 175.554 176.000 0.182 0.000 1.013 693 Q CA -0.553 55.314 55.803 0.108 0.000 0.798 693 Q CB 1.308 30.134 28.738 0.148 0.000 1.253 693 Q HN 0.568 nan 8.270 nan 0.000 0.457 694 L N 4.349 125.583 121.223 0.018 0.000 2.360 694 L HA 0.343 4.682 4.340 -0.001 0.000 0.276 694 L C -0.829 176.028 176.870 -0.022 0.000 1.121 694 L CA -0.176 54.712 54.840 0.081 0.000 0.845 694 L CB 0.508 42.588 42.059 0.034 0.000 1.143 694 L HN 0.680 nan 8.230 nan 0.000 0.452 695 W N 5.343 126.722 121.300 0.132 0.000 2.362 695 W HA 0.384 5.043 4.660 -0.001 0.000 0.316 695 W C -0.416 176.222 176.519 0.200 0.000 1.024 695 W CA -0.591 56.855 57.345 0.169 0.000 1.270 695 W CB 1.311 30.892 29.460 0.201 0.000 1.273 695 W HN 0.177 nan 8.180 nan 0.000 0.424 696 L N 4.288 125.754 121.223 0.404 0.000 2.331 696 L HA 0.665 5.005 4.340 -0.001 0.000 0.278 696 L C -0.065 177.111 176.870 0.510 0.000 1.106 696 L CA 0.808 55.897 54.840 0.416 0.000 0.824 696 L CB 0.736 42.996 42.059 0.334 0.000 1.142 696 L HN 0.318 nan 8.230 nan 0.000 0.443 697 T N 5.323 120.140 114.554 0.437 0.000 2.937 697 T HA 0.558 4.908 4.350 -0.001 0.000 0.297 697 T C -0.788 174.111 174.700 0.332 0.000 0.991 697 T CA -0.437 61.874 62.100 0.350 0.000 0.990 697 T CB 1.332 70.344 68.868 0.240 0.000 0.991 697 T HN 0.616 nan 8.240 nan 0.000 0.440 698 V N 1.655 121.734 119.914 0.275 0.000 2.667 698 V HA 0.823 4.943 4.120 -0.001 0.000 0.308 698 V C -0.567 175.591 176.094 0.106 0.000 1.048 698 V CA -1.054 61.368 62.300 0.202 0.000 0.928 698 V CB 1.834 33.725 31.823 0.113 0.000 1.004 698 V HN 0.807 nan 8.190 nan 0.000 0.444 699 R N 2.512 123.098 120.500 0.143 0.000 2.574 699 R HA 0.686 5.025 4.340 -0.001 0.000 0.288 699 R C -1.578 174.831 176.300 0.181 0.000 1.004 699 R CA -0.727 55.469 56.100 0.160 0.000 0.895 699 R CB 2.591 32.931 30.300 0.067 0.000 1.191 699 R HN 0.706 nan 8.270 nan 0.000 0.444 700 V N 4.213 124.266 119.914 0.232 0.000 2.461 700 V HA 0.302 4.421 4.120 -0.001 0.000 0.275 700 V C -0.066 176.144 176.094 0.193 0.000 1.047 700 V CA -0.385 62.049 62.300 0.222 0.000 0.955 700 V CB 1.613 33.611 31.823 0.293 0.000 0.988 700 V HN 0.423 nan 8.190 nan 0.000 0.471 701 V N 5.007 125.015 119.914 0.157 0.000 2.604 701 V HA 0.405 4.524 4.120 -0.001 0.000 0.305 701 V C -0.303 175.873 176.094 0.137 0.000 1.043 701 V CA -0.810 61.567 62.300 0.128 0.000 0.888 701 V CB 1.944 33.832 31.823 0.107 0.000 0.995 701 V HN 0.870 nan 8.190 nan 0.000 0.429 702 Q N 5.663 125.549 119.800 0.144 0.000 2.421 702 Q HA 0.255 4.594 4.340 -0.001 0.000 0.242 702 Q C -1.539 174.508 176.000 0.080 0.000 1.024 702 Q CA -1.762 54.120 55.803 0.130 0.000 0.891 702 Q CB 1.819 30.652 28.738 0.159 0.000 1.222 702 Q HN 0.526 nan 8.270 nan 0.000 0.483 703 P HA -0.192 nan 4.420 nan 0.000 0.215 703 P C -0.313 176.998 177.300 0.019 0.000 1.157 703 P CA 1.154 64.281 63.100 0.044 0.000 0.863 703 P CB 0.326 32.053 31.700 0.044 0.000 0.787 704 N N 0.441 119.145 118.700 0.006 0.000 2.529 704 N HA 0.309 5.048 4.740 -0.001 0.000 0.278 704 N C 0.134 175.604 175.510 -0.067 0.000 1.146 704 N CA -0.176 52.861 53.050 -0.023 0.000 0.980 704 N CB 0.814 39.288 38.487 -0.022 0.000 1.124 704 N HN 0.077 nan 8.380 nan 0.000 0.458 705 A N 1.003 123.774 122.820 -0.082 0.000 2.371 705 A HA 0.440 4.759 4.320 -0.001 0.000 0.257 705 A C 0.931 178.393 177.584 -0.204 0.000 1.089 705 A CA -0.236 51.715 52.037 -0.143 0.000 0.794 705 A CB 0.099 19.039 19.000 -0.099 0.000 1.029 705 A HN 0.749 nan 8.150 nan 0.000 0.488 706 T N -1.900 112.434 114.554 -0.367 0.000 2.797 706 T HA 0.628 4.977 4.350 -0.001 0.000 0.267 706 T C 1.141 175.648 174.700 -0.321 0.000 0.986 706 T CA 0.137 61.984 62.100 -0.421 0.000 0.999 706 T CB 0.870 69.221 68.868 -0.862 0.000 1.508 706 T HN 1.157 nan 8.240 nan 0.000 0.595 707 A N -0.443 122.243 122.820 -0.224 0.000 2.067 707 A HA 0.175 4.494 4.320 -0.001 0.000 0.217 707 A C 1.818 179.516 177.584 0.190 0.000 1.156 707 A CA 0.728 52.768 52.037 0.006 0.000 0.683 707 A CB -0.768 18.247 19.000 0.026 0.000 0.808 707 A HN 0.909 nan 8.150 nan 0.000 0.455 708 W N -0.518 120.862 121.300 0.134 0.000 2.871 708 W HA 0.357 5.016 4.660 -0.001 0.000 0.340 708 W C -0.003 176.504 176.519 -0.020 0.000 1.058 708 W CA 0.569 57.975 57.345 0.102 0.000 1.633 708 W CB -0.894 28.626 29.460 0.100 0.000 1.067 708 W HN 0.368 nan 8.180 nan 0.000 0.554 709 S N 1.780 117.044 115.700 -0.726 0.000 2.542 709 S HA 0.365 4.834 4.470 -0.001 0.000 0.293 709 S C 0.082 174.474 174.600 -0.347 0.000 1.089 709 S CA -0.676 57.137 58.200 -0.644 0.000 0.961 709 S CB 2.621 65.091 63.200 -1.216 0.000 1.062 709 S HN 0.158 nan 8.310 nan 0.000 0.483 710 E N 2.061 122.162 120.200 -0.164 0.000 2.421 710 E HA 0.458 4.807 4.350 -0.001 0.000 0.253 710 E C 0.249 176.822 176.600 -0.045 0.000 1.277 710 E CA -0.708 55.656 56.400 -0.060 0.000 0.968 710 E CB 0.067 29.777 29.700 0.015 0.000 1.040 710 E HN 0.845 nan 8.360 nan 0.000 0.512 711 A N -0.761 122.050 122.820 -0.015 0.000 2.354 711 A HA 0.492 4.811 4.320 -0.001 0.000 0.269 711 A C 1.103 178.709 177.584 0.036 0.000 1.109 711 A CA 0.206 52.242 52.037 -0.002 0.000 0.800 711 A CB -0.238 18.760 19.000 -0.004 0.000 1.045 711 A HN 1.135 nan 8.150 nan 0.000 0.489 712 G N 0.487 109.316 108.800 0.049 0.000 2.153 712 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.252 712 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.252 712 G C 0.201 175.151 174.900 0.084 0.000 0.994 712 G CA 0.807 45.942 45.100 0.058 0.000 0.698 712 G HN 1.714 nan 8.290 nan 0.000 0.521 713 H N 0.228 119.312 119.070 0.023 0.000 2.897 713 H HA 0.445 5.000 4.556 -0.001 0.000 0.347 713 H C 0.807 176.210 175.328 0.126 0.000 1.068 713 H CA 0.121 56.207 56.048 0.064 0.000 1.426 713 H CB 0.261 30.046 29.762 0.037 0.000 1.410 713 H HN 0.284 nan 8.280 nan 0.000 0.597 714 I N 4.623 124.862 120.570 -0.553 0.000 2.315 714 I HA 0.052 4.221 4.170 -0.001 0.000 0.291 714 I C 0.890 176.823 176.117 -0.307 0.000 1.006 714 I CA -0.093 61.047 61.300 -0.266 0.000 1.265 714 I CB 1.543 39.488 38.000 -0.092 0.000 1.387 714 I HN 0.758 nan 8.210 nan 0.000 0.475 715 S N 4.216 119.975 115.700 0.098 0.000 2.503 715 S HA 0.522 4.992 4.470 -0.001 0.000 0.215 715 S C 0.524 175.376 174.600 0.419 0.000 1.003 715 S CA 0.016 58.425 58.200 0.349 0.000 0.910 715 S CB 0.511 64.025 63.200 0.522 0.000 0.790 715 S HN 0.745 nan 8.310 nan 0.000 0.514 716 A N 0.331 123.423 122.820 0.452 0.000 2.586 716 A HA 0.658 4.978 4.320 -0.001 0.000 0.291 716 A C -1.910 175.985 177.584 0.517 0.000 1.062 716 A CA -0.754 51.539 52.037 0.426 0.000 0.666 716 A CB 0.233 19.545 19.000 0.520 0.000 1.281 716 A HN 1.008 nan 8.150 nan 0.000 0.421 717 W N -0.609 120.814 121.300 0.205 0.000 3.059 717 W HA 0.779 5.438 4.660 -0.001 0.000 0.329 717 W C -1.381 175.121 176.519 -0.028 0.000 1.246 717 W CA -0.476 56.876 57.345 0.011 0.000 1.190 717 W CB 1.042 30.495 29.460 -0.011 0.000 1.423 717 W HN 1.094 nan 8.180 nan 0.000 0.571 718 Q N 1.220 121.041 119.800 0.035 0.000 2.479 718 Q HA 0.397 4.736 4.340 -0.001 0.000 0.276 718 Q C -1.581 174.270 176.000 -0.249 0.000 0.989 718 Q CA -0.422 55.243 55.803 -0.230 0.000 0.864 718 Q CB 2.412 30.800 28.738 -0.584 0.000 1.444 718 Q HN 0.603 nan 8.270 nan 0.000 0.388 719 Q N 1.531 121.166 119.800 -0.275 0.000 2.399 719 Q HA 0.644 4.983 4.340 -0.001 0.000 0.276 719 Q C -1.210 174.681 176.000 -0.181 0.000 1.098 719 Q CA -0.708 55.103 55.803 0.014 0.000 0.827 719 Q CB 2.086 31.018 28.738 0.323 0.000 1.386 719 Q HN 0.584 nan 8.270 nan 0.000 0.443 720 W N 1.166 122.616 121.300 0.251 0.000 3.129 720 W HA 0.369 5.029 4.660 -0.001 0.000 0.333 720 W C -0.515 175.897 176.519 -0.178 0.000 1.141 720 W CA -0.615 56.764 57.345 0.057 0.000 1.224 720 W CB 1.682 31.161 29.460 0.031 0.000 1.393 720 W HN 0.437 nan 8.180 nan 0.000 0.499 721 R N 3.038 123.395 120.500 -0.237 0.000 2.272 721 R HA 0.257 4.597 4.340 -0.001 0.000 0.334 721 R C 0.888 176.990 176.300 -0.329 0.000 1.117 721 R CA -0.056 55.599 56.100 -0.741 0.000 0.966 721 R CB 0.361 30.234 30.300 -0.711 0.000 1.049 721 R HN 0.430 nan 8.270 nan 0.000 0.477 722 L N 1.790 122.851 121.223 -0.270 0.000 2.522 722 L HA 0.176 4.515 4.340 -0.001 0.000 0.157 722 L C 1.080 177.861 176.870 -0.149 0.000 1.397 722 L CA 0.170 54.928 54.840 -0.137 0.000 2.938 722 L CB -0.311 41.708 42.059 -0.066 0.000 2.913 722 L HN 0.555 nan 8.230 nan 0.000 0.949 723 A N -0.366 122.394 122.820 -0.101 0.000 2.272 723 A HA 0.406 4.725 4.320 -0.001 0.000 0.275 723 A C -0.443 177.089 177.584 -0.087 0.000 1.096 723 A CA -0.085 51.904 52.037 -0.080 0.000 0.822 723 A CB 0.889 19.862 19.000 -0.045 0.000 1.088 723 A HN 0.563 nan 8.150 nan 0.000 0.495 724 E N -0.131 120.033 120.200 -0.061 0.000 2.340 724 E HA 0.386 4.736 4.350 -0.001 0.000 0.273 724 E C -1.771 174.822 176.600 -0.012 0.000 0.891 724 E CA -0.740 55.635 56.400 -0.042 0.000 0.757 724 E CB 1.257 30.923 29.700 -0.056 0.000 1.231 724 E HN 0.614 nan 8.360 nan 0.000 0.439 725 N N 4.172 122.876 118.700 0.008 0.000 2.573 725 N HA 0.279 5.018 4.740 -0.001 0.000 0.262 725 N C -0.826 174.699 175.510 0.025 0.000 1.029 725 N CA -0.369 52.690 53.050 0.016 0.000 0.882 725 N CB 1.226 39.726 38.487 0.022 0.000 1.204 725 N HN 0.473 nan 8.380 nan 0.000 0.519 726 L N 0.981 122.217 121.223 0.021 0.000 2.455 726 L HA 0.087 4.426 4.340 -0.001 0.000 0.272 726 L C 1.306 178.195 176.870 0.032 0.000 1.174 726 L CA 0.192 55.050 54.840 0.029 0.000 0.869 726 L CB 0.414 42.488 42.059 0.024 0.000 1.130 726 L HN 0.360 nan 8.230 nan 0.000 0.474 727 S N 2.183 117.907 115.700 0.040 0.000 2.531 727 S HA 0.216 4.686 4.470 -0.001 0.000 0.279 727 S C 0.814 175.434 174.600 0.034 0.000 1.305 727 S CA -0.703 57.520 58.200 0.039 0.000 1.058 727 S CB 1.016 64.244 63.200 0.047 0.000 0.899 727 S HN 0.461 nan 8.310 nan 0.000 0.493 728 V N 2.239 122.170 119.914 0.029 0.000 3.307 728 V HA 0.255 4.375 4.120 -0.001 0.000 0.244 728 V C 1.069 177.178 176.094 0.025 0.000 1.196 728 V CA 0.559 62.874 62.300 0.025 0.000 1.132 728 V CB -1.016 30.819 31.823 0.020 0.000 0.875 728 V HN 0.905 nan 8.190 nan 0.000 0.468 729 T N 2.064 116.634 114.554 0.025 0.000 2.961 729 T HA 0.457 4.806 4.350 -0.001 0.000 0.270 729 T C 0.015 174.731 174.700 0.027 0.000 0.926 729 T CA -0.115 61.999 62.100 0.024 0.000 1.112 729 T CB -0.967 67.916 68.868 0.024 0.000 0.926 729 T HN 0.362 nan 8.240 nan 0.000 0.612 730 L N 4.847 126.085 121.223 0.025 0.000 2.461 730 L HA 0.295 4.635 4.340 -0.001 0.000 0.272 730 L C -0.905 175.980 176.870 0.025 0.000 1.197 730 L CA -1.900 52.956 54.840 0.027 0.000 0.836 730 L CB -0.162 41.910 42.059 0.023 0.000 1.105 730 L HN 0.511 nan 8.230 nan 0.000 0.477 731 P HA -0.084 nan 4.420 nan 0.000 0.267 731 P C -0.797 176.514 177.300 0.019 0.000 1.175 731 P CA -0.253 62.863 63.100 0.027 0.000 0.763 731 P CB 0.430 32.150 31.700 0.032 0.000 0.795 732 A N 2.780 125.613 122.820 0.022 0.000 2.437 732 A HA 0.477 4.796 4.320 -0.001 0.000 0.303 732 A C 0.924 178.511 177.584 0.005 0.000 1.324 732 A CA -0.147 51.899 52.037 0.016 0.000 0.983 732 A CB -0.718 18.300 19.000 0.030 0.000 1.142 732 A HN 0.730 nan 8.150 nan 0.000 0.541 733 A N 3.725 126.531 122.820 -0.024 0.000 2.563 733 A HA 0.387 4.706 4.320 -0.001 0.000 0.256 733 A C 1.126 178.657 177.584 -0.088 0.000 1.056 733 A CA 0.691 52.694 52.037 -0.057 0.000 0.775 733 A CB -0.594 18.351 19.000 -0.092 0.000 0.973 733 A HN 1.752 nan 8.150 nan 0.000 0.516 734 S N 2.274 117.956 115.700 -0.029 0.000 2.603 734 S HA 0.291 4.760 4.470 -0.001 0.000 0.268 734 S C 0.598 175.177 174.600 -0.035 0.000 1.317 734 S CA -0.030 58.191 58.200 0.036 0.000 1.012 734 S CB 0.347 63.591 63.200 0.073 0.000 0.926 734 S HN 0.684 nan 8.310 nan 0.000 0.539 735 H N 0.704 119.789 119.070 0.024 0.000 2.535 735 H HA 0.411 4.967 4.556 -0.001 0.000 0.273 735 H C 1.241 176.586 175.328 0.027 0.000 0.983 735 H CA 0.770 56.832 56.048 0.022 0.000 1.238 735 H CB -0.549 29.224 29.762 0.019 0.000 1.412 735 H HN 0.833 nan 8.280 nan 0.000 0.562 736 A N 1.077 123.978 122.820 0.135 0.000 2.466 736 A HA 0.404 4.724 4.320 -0.001 0.000 0.238 736 A C -0.110 177.518 177.584 0.072 0.000 1.074 736 A CA 0.122 52.218 52.037 0.098 0.000 0.774 736 A CB 0.043 19.099 19.000 0.094 0.000 1.015 736 A HN 0.320 nan 8.150 nan 0.000 0.498 737 I N 1.608 122.223 120.570 0.074 0.000 2.571 737 I HA 0.286 4.455 4.170 -0.001 0.000 0.289 737 I C -2.526 173.640 176.117 0.082 0.000 1.115 737 I CA -1.893 59.441 61.300 0.057 0.000 1.045 737 I CB 2.341 40.364 38.000 0.039 0.000 1.238 737 I HN 0.414 nan 8.210 nan 0.000 0.424 738 P HA 0.041 nan 4.420 nan 0.000 0.268 738 P C -0.935 176.435 177.300 0.117 0.000 1.205 738 P CA 0.151 63.319 63.100 0.113 0.000 0.771 738 P CB 0.318 32.049 31.700 0.053 0.000 0.858 739 H N 3.313 122.431 119.070 0.079 0.000 2.476 739 H HA 0.357 4.913 4.556 -0.001 0.000 0.328 739 H C -1.164 174.209 175.328 0.076 0.000 1.073 739 H CA -0.827 55.258 56.048 0.062 0.000 1.229 739 H CB 0.942 30.741 29.762 0.061 0.000 1.432 739 H HN 0.219 nan 8.280 nan 0.000 0.477 740 L N 5.515 126.675 121.223 -0.105 0.000 2.264 740 L HA 0.312 4.652 4.340 -0.001 0.000 0.289 740 L C -0.566 176.373 176.870 0.115 0.000 1.044 740 L CA -0.058 54.799 54.840 0.029 0.000 0.807 740 L CB 1.143 43.153 42.059 -0.082 0.000 1.192 740 L HN 0.540 nan 8.230 nan 0.000 0.425 741 T N 3.243 117.948 114.554 0.252 0.000 2.859 741 T HA 0.598 4.947 4.350 -0.001 0.000 0.281 741 T C -0.382 174.458 174.700 0.234 0.000 1.005 741 T CA -0.410 61.837 62.100 0.246 0.000 1.025 741 T CB 1.229 70.230 68.868 0.222 0.000 0.977 741 T HN 0.660 nan 8.240 nan 0.000 0.458 742 T N 2.656 117.329 114.554 0.199 0.000 2.840 742 T HA 0.533 4.882 4.350 -0.001 0.000 0.287 742 T C -0.052 174.717 174.700 0.114 0.000 0.991 742 T CA -0.641 61.593 62.100 0.224 0.000 0.964 742 T CB 1.344 70.371 68.868 0.265 0.000 0.954 742 T HN 0.510 nan 8.240 nan 0.000 0.438 743 S N 1.311 117.042 115.700 0.050 0.000 2.718 743 S HA 0.372 4.842 4.470 -0.001 0.000 0.292 743 S C 1.230 175.790 174.600 -0.068 0.000 1.125 743 S CA -0.929 57.269 58.200 -0.003 0.000 1.013 743 S CB 1.487 64.680 63.200 -0.011 0.000 1.192 743 S HN 0.843 nan 8.310 nan 0.000 0.535 744 E N -0.743 119.415 120.200 -0.069 0.000 2.415 744 E HA 0.120 4.469 4.350 -0.001 0.000 0.197 744 E C 0.922 177.439 176.600 -0.139 0.000 1.007 744 E CA 0.306 56.651 56.400 -0.091 0.000 0.890 744 E CB 0.117 29.788 29.700 -0.048 0.000 0.891 744 E HN 0.418 nan 8.360 nan 0.000 0.496 745 M N 0.612 120.138 119.600 -0.123 0.000 2.331 745 M HA 0.247 4.726 4.480 -0.001 0.000 0.266 745 M C -1.254 174.959 176.300 -0.146 0.000 1.055 745 M CA 0.390 55.621 55.300 -0.115 0.000 1.048 745 M CB 0.914 33.485 32.600 -0.049 0.000 1.460 745 M HN -0.150 nan 8.290 nan 0.000 0.519 746 D N -1.699 118.591 120.400 -0.183 0.000 2.583 746 D HA 0.466 5.106 4.640 -0.001 0.000 0.248 746 D C -1.602 174.612 176.300 -0.143 0.000 1.209 746 D CA -0.184 53.740 54.000 -0.127 0.000 0.848 746 D CB 1.494 42.316 40.800 0.036 0.000 1.431 746 D HN -0.204 nan 8.370 nan 0.000 0.436 747 F N 0.945 120.981 119.950 0.144 0.000 2.499 747 F HA 0.433 4.960 4.527 -0.001 0.000 0.333 747 F C -0.654 175.282 175.800 0.227 0.000 1.138 747 F CA -1.220 56.861 58.000 0.136 0.000 0.945 747 F CB 1.223 40.267 39.000 0.073 0.000 1.181 747 F HN 0.298 nan 8.300 nan 0.000 0.435 748 C N 5.262 124.797 119.300 0.391 0.000 2.319 748 C HA 0.708 5.167 4.460 -0.001 0.000 0.323 748 C C -0.091 175.102 174.990 0.338 0.000 1.277 748 C CA -0.875 58.356 59.018 0.354 0.000 1.517 748 C CB 0.067 27.967 27.740 0.267 0.000 2.206 748 C HN 0.489 nan 8.230 nan 0.000 0.486 749 I N 3.175 123.991 120.570 0.411 0.000 2.354 749 I HA 0.386 4.556 4.170 -0.001 0.000 0.292 749 I C 0.198 176.619 176.117 0.507 0.000 0.989 749 I CA 0.186 61.721 61.300 0.391 0.000 1.188 749 I CB 0.825 39.008 38.000 0.306 0.000 1.342 749 I HN 0.621 nan 8.210 nan 0.000 0.457 750 E N 5.850 126.278 120.200 0.380 0.000 2.238 750 E HA 0.712 5.061 4.350 -0.001 0.000 0.267 750 E C -1.427 175.358 176.600 0.307 0.000 0.887 750 E CA -0.977 55.606 56.400 0.305 0.000 0.769 750 E CB 2.874 32.667 29.700 0.156 0.000 1.187 750 E HN 0.292 nan 8.360 nan 0.000 0.416 751 L N 2.291 123.688 121.223 0.289 0.000 2.596 751 L HA 0.432 4.771 4.340 -0.001 0.000 0.265 751 L C 0.297 177.254 176.870 0.144 0.000 0.962 751 L CA 0.462 55.451 54.840 0.248 0.000 0.891 751 L CB 1.162 43.442 42.059 0.369 0.000 1.248 751 L HN 0.763 nan 8.230 nan 0.000 0.410 752 G N 4.307 113.161 108.800 0.090 0.000 2.634 752 G HA2 -0.460 3.499 3.960 -0.001 0.000 0.318 752 G HA3 -0.460 3.499 3.960 -0.001 0.000 0.318 752 G C 0.975 175.879 174.900 0.007 0.000 1.207 752 G CA 0.764 45.890 45.100 0.044 0.000 0.987 752 G HN 0.804 nan 8.290 nan 0.000 0.547 753 N N 1.582 120.274 118.700 -0.013 0.000 2.290 753 N HA -0.009 4.730 4.740 -0.001 0.000 0.179 753 N C 0.850 176.302 175.510 -0.098 0.000 1.016 753 N CA 1.248 54.267 53.050 -0.052 0.000 0.871 753 N CB -0.125 38.331 38.487 -0.052 0.000 0.987 753 N HN 0.690 nan 8.380 nan 0.000 0.431 754 K N 0.783 121.095 120.400 -0.146 0.000 2.295 754 K HA 0.139 4.458 4.320 -0.001 0.000 0.270 754 K C -0.126 176.242 176.600 -0.387 0.000 1.011 754 K CA 0.048 56.104 56.287 -0.385 0.000 0.953 754 K CB 0.970 33.102 32.500 -0.613 0.000 0.956 754 K HN 0.005 nan 8.250 nan 0.000 0.477 755 R N 2.026 122.235 120.500 -0.485 0.000 2.514 755 R HA 0.266 4.605 4.340 -0.001 0.000 0.296 755 R C -1.695 174.481 176.300 -0.206 0.000 1.012 755 R CA -0.419 55.600 56.100 -0.136 0.000 0.897 755 R CB 0.980 31.345 30.300 0.109 0.000 1.184 755 R HN 0.584 nan 8.270 nan 0.000 0.440 756 W N 3.790 125.172 121.300 0.136 0.000 2.573 756 W HA 0.392 5.051 4.660 -0.001 0.000 0.326 756 W C -0.511 176.065 176.519 0.094 0.000 1.049 756 W CA -0.570 56.800 57.345 0.040 0.000 1.220 756 W CB 2.137 31.646 29.460 0.083 0.000 1.373 756 W HN 0.443 nan 8.180 nan 0.000 0.507 757 Q N 3.082 122.953 119.800 0.118 0.000 2.290 757 Q HA 0.355 4.695 4.340 -0.001 0.000 0.269 757 Q C -1.909 174.041 176.000 -0.083 0.000 1.016 757 Q CA -0.487 55.394 55.803 0.130 0.000 0.754 757 Q CB 1.217 30.048 28.738 0.156 0.000 1.247 757 Q HN 0.325 nan 8.270 nan 0.000 0.451 758 F N 2.966 122.984 119.950 0.114 0.000 2.361 758 F HA 0.289 4.816 4.527 -0.001 0.000 0.364 758 F C 0.670 176.494 175.800 0.040 0.000 1.117 758 F CA -0.817 57.221 58.000 0.063 0.000 1.071 758 F CB 1.094 40.140 39.000 0.075 0.000 1.188 758 F HN 0.477 nan 8.300 nan 0.000 0.464 759 N N 4.133 122.916 118.700 0.140 0.000 2.416 759 N HA 0.020 4.759 4.740 -0.001 0.000 0.265 759 N C 0.976 176.505 175.510 0.031 0.000 1.195 759 N CA 0.077 53.169 53.050 0.069 0.000 0.943 759 N CB 0.527 39.059 38.487 0.074 0.000 1.115 759 N HN 0.678 nan 8.380 nan 0.000 0.481 760 R N 1.911 122.357 120.500 -0.090 0.000 2.328 760 R HA -0.062 4.278 4.340 -0.001 0.000 0.207 760 R C 1.366 177.608 176.300 -0.097 0.000 1.056 760 R CA 0.580 56.577 56.100 -0.172 0.000 1.016 760 R CB 0.237 30.283 30.300 -0.424 0.000 0.872 760 R HN 0.618 nan 8.270 nan 0.000 0.471 761 Q N -0.466 119.306 119.800 -0.047 0.000 2.376 761 Q HA 0.083 4.422 4.340 -0.001 0.000 0.206 761 Q C 1.162 177.166 176.000 0.005 0.000 0.921 761 Q CA 0.950 56.740 55.803 -0.022 0.000 0.911 761 Q CB 0.719 29.455 28.738 -0.002 0.000 1.032 761 Q HN 0.244 nan 8.270 nan 0.000 0.510 762 S N -1.705 114.012 115.700 0.029 0.000 2.541 762 S HA 0.256 4.725 4.470 -0.001 0.000 0.219 762 S C 1.135 175.651 174.600 -0.140 0.000 1.025 762 S CA 0.676 58.909 58.200 0.055 0.000 0.917 762 S CB 0.796 64.154 63.200 0.264 0.000 0.859 762 S HN 0.460 nan 8.310 nan 0.000 0.584 763 G N 0.841 109.571 108.800 -0.116 0.000 2.154 763 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.186 763 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.186 763 G C -0.278 174.535 174.900 -0.144 0.000 1.000 763 G CA -0.525 44.510 45.100 -0.109 0.000 0.664 763 G HN 0.305 nan 8.290 nan 0.000 0.513 764 F N -0.718 119.413 119.950 0.302 0.000 2.579 764 F HA 0.748 5.275 4.527 -0.001 0.000 0.324 764 F C 0.322 176.144 175.800 0.037 0.000 1.058 764 F CA -1.763 56.363 58.000 0.211 0.000 0.944 764 F CB 1.407 40.483 39.000 0.127 0.000 1.245 764 F HN 0.001 nan 8.300 nan 0.000 0.477 765 L N 1.965 123.221 121.223 0.055 0.000 2.456 765 L HA 0.200 4.540 4.340 -0.001 0.000 0.277 765 L C 1.050 177.810 176.870 -0.183 0.000 1.124 765 L CA 0.481 55.040 54.840 -0.469 0.000 0.880 765 L CB 0.248 42.004 42.059 -0.505 0.000 1.192 765 L HN 0.724 nan 8.230 nan 0.000 0.463 766 S N 2.662 118.251 115.700 -0.185 0.000 2.503 766 S HA 0.243 4.712 4.470 -0.001 0.000 0.217 766 S C 0.538 175.003 174.600 -0.225 0.000 0.999 766 S CA 0.022 58.155 58.200 -0.112 0.000 0.914 766 S CB 0.077 63.258 63.200 -0.032 0.000 0.782 766 S HN 0.691 nan 8.310 nan 0.000 0.520 767 Q N -0.439 119.155 119.800 -0.345 0.000 2.617 767 Q HA 0.599 4.938 4.340 -0.001 0.000 0.270 767 Q C -2.043 173.572 176.000 -0.641 0.000 0.967 767 Q CA -0.200 55.268 55.803 -0.558 0.000 0.887 767 Q CB 1.251 29.543 28.738 -0.744 0.000 1.516 767 Q HN 0.407 nan 8.270 nan 0.000 0.395 768 M N 1.506 120.630 119.600 -0.794 0.000 2.593 768 M HA 0.668 5.148 4.480 -0.001 0.000 0.290 768 M C -1.395 174.457 176.300 -0.748 0.000 1.244 768 M CA -0.542 54.346 55.300 -0.687 0.000 0.857 768 M CB 2.306 34.519 32.600 -0.646 0.000 1.738 768 M HN 0.513 nan 8.290 nan 0.000 0.461 769 W N 2.444 123.505 121.300 -0.399 0.000 3.129 769 W HA 0.531 5.191 4.660 -0.001 0.000 0.333 769 W C -1.480 174.843 176.519 -0.326 0.000 1.141 769 W CA -0.525 56.644 57.345 -0.294 0.000 1.224 769 W CB 1.555 30.882 29.460 -0.223 0.000 1.393 769 W HN 0.506 nan 8.180 nan 0.000 0.499 770 I N 4.095 124.663 120.570 -0.003 0.000 2.621 770 I HA 0.402 4.572 4.170 -0.001 0.000 0.276 770 I C 0.766 176.867 176.117 -0.028 0.000 1.118 770 I CA 0.117 61.368 61.300 -0.082 0.000 1.159 770 I CB 0.444 38.368 38.000 -0.127 0.000 1.357 770 I HN 0.642 nan 8.210 nan 0.000 0.513 771 G N 4.958 113.741 108.800 -0.029 0.000 2.503 771 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.235 771 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.235 771 G C -0.013 174.859 174.900 -0.046 0.000 1.179 771 G CA 0.172 45.244 45.100 -0.045 0.000 0.944 771 G HN 0.625 nan 8.290 nan 0.000 0.580 772 D N 0.953 121.327 120.400 -0.043 0.000 2.395 772 D HA 0.274 4.913 4.640 -0.001 0.000 0.226 772 D C 0.238 176.591 176.300 0.088 0.000 1.146 772 D CA 0.150 54.112 54.000 -0.062 0.000 0.830 772 D CB 0.252 41.004 40.800 -0.080 0.000 0.958 772 D HN 0.336 nan 8.370 nan 0.000 0.501 773 K N 1.289 121.791 120.400 0.170 0.000 2.293 773 K HA 0.294 4.613 4.320 -0.001 0.000 0.267 773 K C 0.389 177.125 176.600 0.226 0.000 1.010 773 K CA -0.471 55.911 56.287 0.158 0.000 0.875 773 K CB 1.926 34.447 32.500 0.035 0.000 1.106 773 K HN 0.071 nan 8.250 nan 0.000 0.450 774 K N 1.828 122.297 120.400 0.115 0.000 2.319 774 K HA 0.058 4.378 4.320 -0.001 0.000 0.265 774 K C 0.960 177.415 176.600 -0.241 0.000 1.000 774 K CA -0.243 55.892 56.287 -0.253 0.000 0.943 774 K CB 0.663 33.068 32.500 -0.159 0.000 0.950 774 K HN 0.350 nan 8.250 nan 0.000 0.485 775 Q N 0.663 120.242 119.800 -0.368 0.000 2.353 775 Q HA 0.226 4.566 4.340 -0.001 0.000 0.240 775 Q C 0.100 176.023 176.000 -0.129 0.000 0.868 775 Q CA 0.488 56.186 55.803 -0.175 0.000 0.944 775 Q CB 0.629 29.264 28.738 -0.172 0.000 1.104 775 Q HN 0.490 nan 8.270 nan 0.000 0.531 776 L N 0.663 121.742 121.223 -0.240 0.000 2.362 776 L HA 0.427 4.766 4.340 -0.001 0.000 0.271 776 L C 0.759 177.507 176.870 -0.203 0.000 1.002 776 L CA -0.376 54.350 54.840 -0.191 0.000 0.818 776 L CB 1.870 43.810 42.059 -0.198 0.000 1.298 776 L HN -0.097 nan 8.230 nan 0.000 0.420 777 L N 0.403 121.501 121.223 -0.209 0.000 2.638 777 L HA 0.283 4.622 4.340 -0.001 0.000 0.232 777 L C -0.193 176.568 176.870 -0.183 0.000 1.099 777 L CA 0.507 55.228 54.840 -0.198 0.000 0.883 777 L CB 0.658 42.573 42.059 -0.240 0.000 1.136 777 L HN 0.633 nan 8.230 nan 0.000 0.492 778 T N -0.222 114.213 114.554 -0.198 0.000 3.032 778 T HA 0.344 4.694 4.350 -0.001 0.000 0.312 778 T C -2.625 172.028 174.700 -0.077 0.000 1.078 778 T CA -1.071 60.960 62.100 -0.114 0.000 1.028 778 T CB 2.478 71.280 68.868 -0.110 0.000 1.091 778 T HN -0.292 nan 8.240 nan 0.000 0.457 779 P HA 0.077 nan 4.420 nan 0.000 0.267 779 P C -0.570 176.720 177.300 -0.017 0.000 1.195 779 P CA -0.679 62.407 63.100 -0.024 0.000 0.773 779 P CB 0.405 32.115 31.700 0.017 0.000 0.837 780 L N 3.954 125.201 121.223 0.039 0.000 2.363 780 L HA 0.230 4.569 4.340 -0.001 0.000 0.286 780 L C 0.114 177.006 176.870 0.037 0.000 1.106 780 L CA 0.478 55.384 54.840 0.110 0.000 0.859 780 L CB -0.961 41.254 42.059 0.259 0.000 1.223 780 L HN 0.286 nan 8.230 nan 0.000 0.446 781 R N 2.471 122.882 120.500 -0.148 0.000 2.919 781 R HA 0.557 4.897 4.340 -0.001 0.000 0.260 781 R C -0.756 175.422 176.300 -0.204 0.000 1.067 781 R CA -1.035 54.815 56.100 -0.418 0.000 1.003 781 R CB 0.927 30.774 30.300 -0.754 0.000 1.192 781 R HN 0.465 nan 8.270 nan 0.000 0.488 782 D N 0.622 120.928 120.400 -0.156 0.000 2.344 782 D HA 0.126 4.766 4.640 -0.001 0.000 0.244 782 D C -0.576 175.247 176.300 -0.794 0.000 1.134 782 D CA 0.125 53.864 54.000 -0.435 0.000 0.930 782 D CB 0.746 41.202 40.800 -0.575 0.000 1.175 782 D HN 0.206 nan 8.370 nan 0.000 0.437 783 Q N 0.705 119.826 119.800 -1.131 0.000 2.284 783 Q HA 0.337 4.676 4.340 -0.001 0.000 0.269 783 Q C -1.398 173.783 176.000 -1.365 0.000 1.026 783 Q CA -0.553 54.636 55.803 -1.024 0.000 0.831 783 Q CB 0.891 29.291 28.738 -0.563 0.000 1.322 783 Q HN 0.491 nan 8.270 nan 0.000 0.419 784 F N 0.408 119.904 119.950 -0.756 0.000 2.781 784 F HA 0.203 4.730 4.527 -0.001 0.000 0.322 784 F C 0.486 175.810 175.800 -0.792 0.000 1.108 784 F CA -0.058 57.397 58.000 -0.909 0.000 1.179 784 F CB 1.315 39.396 39.000 -1.533 0.000 1.072 784 F HN 0.423 nan 8.300 nan 0.000 0.545 785 T N -0.764 113.453 114.554 -0.562 0.000 2.910 785 T HA 0.857 5.206 4.350 -0.001 0.000 0.287 785 T C -0.529 173.918 174.700 -0.423 0.000 1.050 785 T CA -0.965 60.751 62.100 -0.641 0.000 1.011 785 T CB 2.904 71.344 68.868 -0.715 0.000 1.195 785 T HN 0.258 nan 8.240 nan 0.000 0.540 786 R N -0.719 119.613 120.500 -0.279 0.000 2.680 786 R HA 0.705 5.045 4.340 -0.001 0.000 0.269 786 R C -1.070 175.287 176.300 0.095 0.000 1.026 786 R CA -1.158 54.888 56.100 -0.090 0.000 0.889 786 R CB 1.204 31.442 30.300 -0.104 0.000 1.241 786 R HN 0.874 nan 8.270 nan 0.000 0.463 787 A N 3.894 126.744 122.820 0.050 0.000 2.507 787 A HA 0.209 4.528 4.320 -0.001 0.000 0.281 787 A C -1.792 175.850 177.584 0.096 0.000 1.154 787 A CA -0.925 51.134 52.037 0.038 0.000 0.828 787 A CB -0.691 18.282 19.000 -0.045 0.000 1.069 787 A HN 0.570 nan 8.150 nan 0.000 0.522 788 P HA -0.064 nan 4.420 nan 0.000 0.259 788 P C -0.204 177.215 177.300 0.197 0.000 1.155 788 P CA 0.807 64.073 63.100 0.275 0.000 0.759 788 P CB 0.278 32.152 31.700 0.291 0.000 0.753 789 L N 2.980 124.303 121.223 0.167 0.000 2.456 789 L HA 0.162 4.501 4.340 -0.001 0.000 0.257 789 L C 1.993 178.930 176.870 0.112 0.000 1.162 789 L CA -0.508 54.377 54.840 0.074 0.000 0.808 789 L CB -0.002 42.038 42.059 -0.032 0.000 1.136 789 L HN 0.300 nan 8.230 nan 0.000 0.466 790 D N 0.350 120.778 120.400 0.047 0.000 2.123 790 D HA -0.164 4.476 4.640 -0.001 0.000 0.196 790 D C 1.528 177.811 176.300 -0.029 0.000 0.992 790 D CA 1.415 55.393 54.000 -0.036 0.000 0.833 790 D CB 0.039 40.730 40.800 -0.181 0.000 0.954 790 D HN 0.490 nan 8.370 nan 0.000 0.455 791 N N 1.154 119.833 118.700 -0.034 0.000 2.364 791 N HA -0.107 4.632 4.740 -0.001 0.000 0.183 791 N C 1.062 176.605 175.510 0.056 0.000 1.022 791 N CA 0.695 53.740 53.050 -0.009 0.000 0.883 791 N CB -0.074 38.390 38.487 -0.039 0.000 0.965 791 N HN 0.288 nan 8.380 nan 0.000 0.438 792 D N 0.206 120.658 120.400 0.086 0.000 2.289 792 D HA 0.087 4.727 4.640 -0.001 0.000 0.207 792 D C 1.898 178.266 176.300 0.113 0.000 0.966 792 D CA 0.295 54.375 54.000 0.133 0.000 0.868 792 D CB 0.374 41.327 40.800 0.254 0.000 0.943 792 D HN 0.338 nan 8.370 nan 0.000 0.514 793 I N 0.061 120.693 120.570 0.103 0.000 2.731 793 I HA 0.096 4.266 4.170 -0.001 0.000 0.260 793 I C 1.794 177.957 176.117 0.077 0.000 1.138 793 I CA 0.478 61.829 61.300 0.085 0.000 1.461 793 I CB -0.133 37.911 38.000 0.073 0.000 1.128 793 I HN 0.016 nan 8.210 nan 0.000 0.438 794 G N 1.733 110.596 108.800 0.104 0.000 2.583 794 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.292 794 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.292 794 G C 0.618 175.677 174.900 0.266 0.000 1.203 794 G CA 0.784 45.992 45.100 0.180 0.000 0.987 794 G HN 0.508 nan 8.290 nan 0.000 0.554 795 V N -2.169 117.826 119.914 0.136 0.000 3.271 795 V HA 0.666 4.785 4.120 -0.001 0.000 0.327 795 V C 0.980 177.068 176.094 -0.010 0.000 1.389 795 V CA 0.998 63.307 62.300 0.015 0.000 1.156 795 V CB 0.275 32.004 31.823 -0.157 0.000 1.103 795 V HN 1.292 nan 8.190 nan 0.000 0.453 796 S N 1.296 117.008 115.700 0.019 0.000 2.505 796 S HA 0.365 4.834 4.470 -0.001 0.000 0.276 796 S C -0.024 174.581 174.600 0.008 0.000 1.274 796 S CA -0.093 58.107 58.200 0.001 0.000 1.053 796 S CB 0.372 63.575 63.200 0.005 0.000 0.919 796 S HN 0.769 nan 8.310 nan 0.000 0.490 797 E N 2.190 122.388 120.200 -0.004 0.000 2.316 797 E HA 0.607 4.956 4.350 -0.001 0.000 0.258 797 E C 1.102 177.710 176.600 0.013 0.000 0.952 797 E CA -0.552 55.852 56.400 0.006 0.000 0.818 797 E CB 1.245 30.942 29.700 -0.005 0.000 1.260 797 E HN 0.653 nan 8.360 nan 0.000 0.416 798 A N 0.271 123.106 122.820 0.025 0.000 1.884 798 A HA -0.254 4.066 4.320 -0.001 0.000 0.219 798 A C 2.124 179.720 177.584 0.020 0.000 1.197 798 A CA 2.988 55.043 52.037 0.029 0.000 0.637 798 A CB -1.300 17.724 19.000 0.040 0.000 0.827 798 A HN 0.739 nan 8.150 nan 0.000 0.450 799 T N -3.638 110.925 114.554 0.014 0.000 2.939 799 T HA 0.104 4.453 4.350 -0.001 0.000 0.254 799 T C 1.072 175.770 174.700 -0.003 0.000 1.041 799 T CA 0.947 63.052 62.100 0.007 0.000 1.142 799 T CB -0.079 68.793 68.868 0.006 0.000 0.874 799 T HN 0.224 nan 8.240 nan 0.000 0.452 800 R N 1.032 121.525 120.500 -0.011 0.000 2.233 800 R HA 0.563 4.903 4.340 -0.001 0.000 0.334 800 R C -1.534 174.753 176.300 -0.022 0.000 1.037 800 R CA -1.317 54.769 56.100 -0.023 0.000 0.920 800 R CB -0.636 29.640 30.300 -0.040 0.000 1.137 800 R HN 0.285 nan 8.270 nan 0.000 0.492 801 I N 2.785 123.344 120.570 -0.018 0.000 2.365 801 I HA 0.159 4.329 4.170 -0.001 0.000 0.291 801 I C -0.026 176.073 176.117 -0.031 0.000 1.004 801 I CA -0.328 60.962 61.300 -0.017 0.000 1.311 801 I CB 1.472 39.466 38.000 -0.009 0.000 1.401 801 I HN 0.478 nan 8.210 nan 0.000 0.491 802 D N 8.810 129.190 120.400 -0.035 0.000 2.456 802 D HA 0.255 4.895 4.640 -0.001 0.000 0.219 802 D C -1.653 174.608 176.300 -0.065 0.000 1.126 802 D CA -2.306 51.664 54.000 -0.050 0.000 0.890 802 D CB 1.370 42.142 40.800 -0.046 0.000 1.025 802 D HN 0.240 nan 8.370 nan 0.000 0.511 803 P HA -0.135 nan 4.420 nan 0.000 0.226 803 P C 0.805 178.022 177.300 -0.138 0.000 1.146 803 P CA 0.625 63.673 63.100 -0.087 0.000 0.773 803 P CB 0.556 32.213 31.700 -0.071 0.000 0.772 804 N N 0.301 118.912 118.700 -0.148 0.000 2.368 804 N HA 0.046 4.786 4.740 -0.001 0.000 0.176 804 N C 0.578 175.906 175.510 -0.302 0.000 1.021 804 N CA 0.223 53.143 53.050 -0.217 0.000 0.888 804 N CB -0.555 37.831 38.487 -0.168 0.000 0.995 804 N HN -0.049 nan 8.380 nan 0.000 0.437 805 A N -0.215 122.477 122.820 -0.213 0.000 2.561 805 A HA -0.036 4.284 4.320 -0.001 0.000 0.234 805 A C 0.743 178.133 177.584 -0.322 0.000 1.055 805 A CA -0.101 51.814 52.037 -0.204 0.000 0.756 805 A CB -0.314 18.638 19.000 -0.081 0.000 0.986 805 A HN 0.560 nan 8.150 nan 0.000 0.505 806 W N 1.775 122.832 121.300 -0.405 0.000 2.318 806 W HA -0.194 4.465 4.660 -0.001 0.000 0.313 806 W C 2.250 178.184 176.519 -0.975 0.000 1.221 806 W CA 1.801 58.633 57.345 -0.855 0.000 1.266 806 W CB -0.406 28.420 29.460 -1.057 0.000 1.150 806 W HN 0.584 nan 8.180 nan 0.000 0.496 807 V N 0.814 120.609 119.914 -0.199 0.000 2.332 807 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 807 V C 2.194 178.387 176.094 0.165 0.000 1.055 807 V CA 2.215 64.626 62.300 0.184 0.000 1.038 807 V CB -0.365 31.596 31.823 0.229 0.000 0.651 807 V HN 0.086 nan 8.190 nan 0.000 0.450 808 E N -0.050 120.154 120.200 0.006 0.000 2.072 808 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 808 E C 2.357 178.936 176.600 -0.035 0.000 0.985 808 E CA 1.093 57.495 56.400 0.002 0.000 0.801 808 E CB -0.414 29.259 29.700 -0.044 0.000 0.750 808 E HN 0.613 nan 8.360 nan 0.000 0.452 809 R N -0.024 120.375 120.500 -0.169 0.000 2.091 809 R HA -0.151 4.188 4.340 -0.001 0.000 0.238 809 R C 2.273 178.519 176.300 -0.091 0.000 1.136 809 R CA 1.339 57.315 56.100 -0.208 0.000 0.959 809 R CB -0.256 29.799 30.300 -0.409 0.000 0.856 809 R HN 0.288 nan 8.270 nan 0.000 0.437 810 W N 1.468 122.740 121.300 -0.047 0.000 2.378 810 W HA -0.052 4.607 4.660 -0.001 0.000 0.313 810 W C 2.118 178.571 176.519 -0.111 0.000 1.197 810 W CA 0.502 57.725 57.345 -0.203 0.000 1.304 810 W CB -0.861 28.603 29.460 0.007 0.000 1.148 810 W HN 0.090 nan 8.180 nan 0.000 0.494 811 K N 0.342 120.962 120.400 0.367 0.000 2.001 811 K HA -0.187 4.132 4.320 -0.001 0.000 0.214 811 K C 2.291 178.945 176.600 0.090 0.000 1.050 811 K CA 2.291 58.751 56.287 0.287 0.000 0.934 811 K CB -0.837 31.793 32.500 0.218 0.000 0.718 811 K HN -0.002 nan 8.250 nan 0.000 0.443 812 A N 1.411 124.254 122.820 0.040 0.000 1.892 812 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 812 A C 2.376 179.921 177.584 -0.065 0.000 1.188 812 A CA 2.281 54.315 52.037 -0.006 0.000 0.631 812 A CB -1.008 17.980 19.000 -0.018 0.000 0.822 812 A HN 0.419 nan 8.150 nan 0.000 0.447 813 A N -2.253 120.501 122.820 -0.109 0.000 2.070 813 A HA 0.288 4.608 4.320 -0.001 0.000 0.220 813 A C 2.141 179.604 177.584 -0.202 0.000 1.159 813 A CA 1.771 53.724 52.037 -0.141 0.000 0.656 813 A CB -0.974 17.867 19.000 -0.266 0.000 0.800 813 A HN 2.103 nan 8.150 nan 0.000 0.453 814 G N -2.643 105.990 108.800 -0.279 0.000 2.159 814 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.227 814 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.227 814 G C 0.567 175.483 174.900 0.026 0.000 0.986 814 G CA 0.651 45.450 45.100 -0.501 0.000 0.651 814 G HN 0.738 nan 8.290 nan 0.000 0.523 815 H N -1.295 117.759 119.070 -0.026 0.000 2.387 815 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 815 H C 2.142 177.419 175.328 -0.085 0.000 1.099 815 H CA 1.525 57.567 56.048 -0.010 0.000 1.315 815 H CB 0.040 29.719 29.762 -0.137 0.000 1.380 815 H HN 0.529 nan 8.280 nan 0.000 0.513 816 Y N 0.982 121.403 120.300 0.202 0.000 2.571 816 Y HA -0.085 4.465 4.550 -0.001 0.000 0.294 816 Y C 0.945 176.929 175.900 0.141 0.000 1.141 816 Y CA 0.666 58.844 58.100 0.131 0.000 1.308 816 Y CB 0.263 38.790 38.460 0.111 0.000 1.002 816 Y HN 0.371 nan 8.280 nan 0.000 0.551 817 Q N -0.774 119.201 119.800 0.291 0.000 3.180 817 Q HA 0.628 4.968 4.340 -0.001 0.000 0.317 817 Q C -0.897 175.314 176.000 0.352 0.000 0.824 817 Q CA -0.432 55.546 55.803 0.293 0.000 0.926 817 Q CB 0.677 29.583 28.738 0.280 0.000 1.487 817 Q HN 0.090 nan 8.270 nan 0.000 0.389 818 A N 1.056 124.106 122.820 0.383 0.000 2.276 818 A HA 0.527 4.847 4.320 -0.001 0.000 0.316 818 A C -0.645 177.244 177.584 0.509 0.000 1.229 818 A CA -0.509 51.821 52.037 0.489 0.000 0.851 818 A CB 1.091 20.455 19.000 0.606 0.000 1.165 818 A HN 0.441 nan 8.150 nan 0.000 0.513 819 E N 1.756 122.163 120.200 0.345 0.000 2.194 819 E HA 0.483 4.832 4.350 -0.001 0.000 0.284 819 E C 0.102 176.715 176.600 0.023 0.000 1.035 819 E CA 0.154 56.673 56.400 0.198 0.000 0.836 819 E CB 1.034 30.813 29.700 0.131 0.000 1.070 819 E HN 0.714 nan 8.360 nan 0.000 0.401 820 A N 3.812 126.525 122.820 -0.178 0.000 2.457 820 A HA 0.525 4.844 4.320 -0.001 0.000 0.298 820 A C 0.040 177.460 177.584 -0.272 0.000 1.288 820 A CA -0.057 51.541 52.037 -0.731 0.000 0.956 820 A CB -0.109 18.417 19.000 -0.790 0.000 1.135 820 A HN 0.613 nan 8.150 nan 0.000 0.535 821 A N 2.861 125.557 122.820 -0.207 0.000 2.328 821 A HA 0.552 4.872 4.320 -0.001 0.000 0.284 821 A C -0.140 177.391 177.584 -0.089 0.000 1.160 821 A CA -0.488 51.500 52.037 -0.082 0.000 0.818 821 A CB 0.233 19.208 19.000 -0.041 0.000 1.087 821 A HN 1.185 nan 8.150 nan 0.000 0.504 822 L N 3.479 124.645 121.223 -0.095 0.000 2.313 822 L HA 0.339 4.678 4.340 -0.001 0.000 0.282 822 L C 0.496 177.259 176.870 -0.179 0.000 1.092 822 L CA 0.214 54.918 54.840 -0.226 0.000 0.831 822 L CB 0.305 42.236 42.059 -0.213 0.000 1.159 822 L HN 0.768 nan 8.230 nan 0.000 0.442 823 L N 3.315 124.412 121.223 -0.210 0.000 2.316 823 L HA 0.286 4.625 4.340 -0.001 0.000 0.207 823 L C 0.628 177.432 176.870 -0.110 0.000 1.070 823 L CA 0.207 54.978 54.840 -0.115 0.000 0.820 823 L CB -0.014 42.003 42.059 -0.070 0.000 0.992 823 L HN 0.736 nan 8.230 nan 0.000 0.466 824 Q N -0.714 118.990 119.800 -0.160 0.000 2.472 824 Q HA 0.330 4.670 4.340 -0.001 0.000 0.281 824 Q C -1.995 173.936 176.000 -0.116 0.000 0.997 824 Q CA -0.600 55.142 55.803 -0.102 0.000 0.828 824 Q CB 2.991 31.695 28.738 -0.057 0.000 1.443 824 Q HN 0.049 nan 8.270 nan 0.000 0.390 825 C N 3.027 122.308 119.300 -0.032 0.000 3.277 825 C HA 0.559 5.019 4.460 -0.001 0.000 0.352 825 C C -0.768 174.330 174.990 0.180 0.000 0.998 825 C CA 0.458 59.502 59.018 0.042 0.000 1.303 825 C CB -0.030 27.727 27.740 0.029 0.000 1.698 825 C HN 0.806 nan 8.230 nan 0.000 0.574 826 T N 1.768 116.364 114.554 0.071 0.000 2.942 826 T HA 0.916 5.265 4.350 -0.001 0.000 0.289 826 T C -0.284 174.216 174.700 -0.333 0.000 1.044 826 T CA -0.156 61.937 62.100 -0.012 0.000 1.023 826 T CB 2.029 70.871 68.868 -0.043 0.000 1.123 826 T HN 1.713 nan 8.240 nan 0.000 0.512 827 A N 1.430 123.887 122.820 -0.605 0.000 2.393 827 A HA 0.751 5.071 4.320 -0.001 0.000 0.306 827 A C -1.433 175.895 177.584 -0.426 0.000 1.050 827 A CA -0.753 50.827 52.037 -0.761 0.000 0.724 827 A CB 1.396 19.483 19.000 -1.522 0.000 1.248 827 A HN 0.821 nan 8.150 nan 0.000 0.424 828 D N 0.365 120.581 120.400 -0.307 0.000 2.547 828 D HA 0.673 5.312 4.640 -0.001 0.000 0.231 828 D C -0.722 175.473 176.300 -0.175 0.000 1.099 828 D CA 0.036 53.917 54.000 -0.198 0.000 0.901 828 D CB 2.036 42.751 40.800 -0.142 0.000 1.478 828 D HN 0.370 nan 8.370 nan 0.000 0.471 829 T N 0.950 115.423 114.554 -0.134 0.000 2.824 829 T HA 0.630 4.980 4.350 -0.001 0.000 0.280 829 T C 0.141 174.789 174.700 -0.088 0.000 0.995 829 T CA -0.549 61.481 62.100 -0.115 0.000 1.009 829 T CB 0.734 69.537 68.868 -0.109 0.000 0.955 829 T HN 0.081 nan 8.240 nan 0.000 0.452 830 L N 1.122 122.298 121.223 -0.079 0.000 2.260 830 L HA 0.628 4.968 4.340 -0.001 0.000 0.265 830 L C 1.728 178.568 176.870 -0.050 0.000 1.015 830 L CA -1.361 53.443 54.840 -0.061 0.000 0.826 830 L CB 0.729 42.752 42.059 -0.059 0.000 1.373 830 L HN 0.721 nan 8.230 nan 0.000 0.450 831 A N 0.262 123.058 122.820 -0.040 0.000 2.234 831 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 831 A C 0.627 178.192 177.584 -0.033 0.000 1.167 831 A CA 1.870 53.887 52.037 -0.033 0.000 0.698 831 A CB -0.646 18.337 19.000 -0.029 0.000 0.779 831 A HN 0.871 nan 8.150 nan 0.000 0.475 832 D N -4.027 116.351 120.400 -0.037 0.000 3.048 832 D HA 0.417 5.056 4.640 -0.001 0.000 0.290 832 D C -0.284 175.994 176.300 -0.036 0.000 1.667 832 D CA 0.607 54.588 54.000 -0.032 0.000 0.835 832 D CB -0.942 39.837 40.800 -0.034 0.000 1.438 832 D HN 0.757 nan 8.370 nan 0.000 0.463 833 A N -0.438 122.352 122.820 -0.050 0.000 2.581 833 A HA 0.536 4.856 4.320 -0.001 0.000 0.294 833 A C -1.382 176.148 177.584 -0.091 0.000 1.035 833 A CA -0.651 51.346 52.037 -0.068 0.000 0.684 833 A CB 1.177 20.136 19.000 -0.069 0.000 1.282 833 A HN 0.085 nan 8.150 nan 0.000 0.417 834 V N 0.979 120.824 119.914 -0.116 0.000 2.743 834 V HA 0.643 4.763 4.120 -0.001 0.000 0.301 834 V C -0.464 175.527 176.094 -0.171 0.000 1.057 834 V CA -0.398 61.814 62.300 -0.147 0.000 1.006 834 V CB 1.455 33.190 31.823 -0.146 0.000 1.024 834 V HN 0.902 nan 8.190 nan 0.000 0.473 835 L N 5.229 126.331 121.223 -0.200 0.000 2.427 835 L HA 0.547 4.886 4.340 -0.001 0.000 0.264 835 L C -0.783 175.932 176.870 -0.258 0.000 0.989 835 L CA -0.002 54.727 54.840 -0.185 0.000 0.865 835 L CB 1.169 43.148 42.059 -0.132 0.000 1.209 835 L HN 0.384 nan 8.230 nan 0.000 0.430 836 I N 3.576 123.965 120.570 -0.302 0.000 2.331 836 I HA 0.367 4.536 4.170 -0.001 0.000 0.292 836 I C 0.198 176.249 176.117 -0.110 0.000 0.998 836 I CA -0.128 60.932 61.300 -0.400 0.000 1.267 836 I CB 1.271 38.705 38.000 -0.944 0.000 1.386 836 I HN 0.505 nan 8.210 nan 0.000 0.476 837 T N 5.427 119.925 114.554 -0.093 0.000 2.770 837 T HA 0.511 4.861 4.350 -0.001 0.000 0.283 837 T C 0.445 175.169 174.700 0.040 0.000 0.988 837 T CA -0.486 61.618 62.100 0.006 0.000 0.957 837 T CB 1.388 70.240 68.868 -0.028 0.000 0.930 837 T HN 0.793 nan 8.240 nan 0.000 0.443 838 T N -0.177 114.449 114.554 0.120 0.000 2.927 838 T HA 0.894 5.244 4.350 -0.001 0.000 0.286 838 T C -0.920 173.796 174.700 0.027 0.000 1.040 838 T CA -1.106 61.034 62.100 0.067 0.000 1.010 838 T CB 1.937 70.955 68.868 0.249 0.000 1.177 838 T HN 0.797 nan 8.240 nan 0.000 0.546 839 A N 1.419 124.151 122.820 -0.147 0.000 2.508 839 A HA 0.587 4.907 4.320 -0.001 0.000 0.297 839 A C -1.387 176.048 177.584 -0.248 0.000 1.036 839 A CA -0.812 51.196 52.037 -0.048 0.000 0.957 839 A CB 0.018 19.006 19.000 -0.021 0.000 1.428 839 A HN 0.986 nan 8.150 nan 0.000 0.393 840 H N 0.582 119.695 119.070 0.072 0.000 2.710 840 H HA 0.844 5.399 4.556 -0.001 0.000 0.361 840 H C 0.174 175.532 175.328 0.050 0.000 1.175 840 H CA 0.085 56.100 56.048 -0.055 0.000 1.206 840 H CB 2.100 31.691 29.762 -0.284 0.000 1.750 840 H HN 1.052 nan 8.280 nan 0.000 0.553 841 A N 1.714 124.578 122.820 0.073 0.000 2.466 841 A HA 0.222 4.542 4.320 -0.001 0.000 0.291 841 A C -1.259 176.405 177.584 0.134 0.000 1.234 841 A CA -0.682 51.449 52.037 0.157 0.000 0.752 841 A CB 0.461 19.514 19.000 0.089 0.000 1.153 841 A HN 0.538 nan 8.150 nan 0.000 0.458 842 W N 2.456 123.905 121.300 0.249 0.000 2.304 842 W HA 0.323 4.982 4.660 -0.001 0.000 0.313 842 W C 0.132 176.730 176.519 0.131 0.000 1.323 842 W CA 0.379 57.877 57.345 0.255 0.000 1.223 842 W CB 0.894 30.602 29.460 0.414 0.000 1.237 842 W HN 0.716 nan 8.180 nan 0.000 0.535 843 Q N 1.139 121.117 119.800 0.297 0.000 2.668 843 Q HA 0.461 4.801 4.340 -0.001 0.000 0.298 843 Q C -0.954 175.209 176.000 0.271 0.000 1.071 843 Q CA -0.984 54.940 55.803 0.202 0.000 0.789 843 Q CB 3.420 32.230 28.738 0.120 0.000 1.497 843 Q HN 0.395 nan 8.270 nan 0.000 0.460 844 H N 0.784 119.913 119.070 0.097 0.000 3.188 844 H HA 0.049 4.605 4.556 -0.001 0.000 0.325 844 H C -1.189 174.181 175.328 0.071 0.000 1.033 844 H CA -0.013 56.097 56.048 0.103 0.000 1.443 844 H CB 0.930 30.767 29.762 0.125 0.000 1.968 844 H HN 0.841 nan 8.280 nan 0.000 0.449 845 Q N 3.511 123.150 119.800 -0.269 0.000 2.451 845 Q HA -0.264 4.075 4.340 -0.001 0.000 0.305 845 Q C 1.032 177.015 176.000 -0.030 0.000 1.345 845 Q CA 1.217 56.918 55.803 -0.169 0.000 0.854 845 Q CB -1.616 27.009 28.738 -0.188 0.000 1.162 845 Q HN 1.184 nan 8.270 nan 0.000 0.440 846 G N -0.326 108.471 108.800 -0.005 0.000 2.640 846 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.226 846 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.226 846 G C 0.274 175.195 174.900 0.035 0.000 1.222 846 G CA 0.451 45.561 45.100 0.016 0.000 0.729 846 G HN 0.392 nan 8.290 nan 0.000 0.516 847 K N 2.886 123.316 120.400 0.050 0.000 2.453 847 K HA 0.442 4.761 4.320 -0.001 0.000 0.280 847 K C 0.112 176.737 176.600 0.041 0.000 1.045 847 K CA 0.778 57.093 56.287 0.047 0.000 1.059 847 K CB 0.043 32.581 32.500 0.064 0.000 0.901 847 K HN 0.214 nan 8.250 nan 0.000 0.475 848 T N 7.032 121.595 114.554 0.016 0.000 2.723 848 T HA 0.187 4.536 4.350 -0.001 0.000 0.297 848 T C 1.246 175.894 174.700 -0.087 0.000 0.925 848 T CA -0.397 61.708 62.100 0.008 0.000 1.030 848 T CB 0.225 69.108 68.868 0.026 0.000 0.905 848 T HN 0.503 nan 8.240 nan 0.000 0.502 849 L N 2.333 123.434 121.223 -0.202 0.000 2.102 849 L HA 0.302 4.641 4.340 -0.001 0.000 0.202 849 L C -0.082 176.237 176.870 -0.917 0.000 1.076 849 L CA 0.951 55.389 54.840 -0.670 0.000 0.761 849 L CB 0.010 41.457 42.059 -1.021 0.000 0.921 849 L HN 0.482 nan 8.230 nan 0.000 0.444 850 F N -1.105 118.799 119.950 -0.077 0.000 2.599 850 F HA 0.589 5.115 4.527 -0.001 0.000 0.311 850 F C -0.394 175.484 175.800 0.130 0.000 1.076 850 F CA -0.879 57.013 58.000 -0.179 0.000 0.937 850 F CB 1.738 40.243 39.000 -0.825 0.000 1.282 850 F HN -0.310 nan 8.300 nan 0.000 0.460 851 I N 1.335 122.111 120.570 0.343 0.000 2.499 851 I HA 0.379 4.548 4.170 -0.001 0.000 0.288 851 I C -0.918 175.454 176.117 0.425 0.000 1.048 851 I CA -0.539 60.981 61.300 0.368 0.000 1.062 851 I CB 2.253 40.388 38.000 0.224 0.000 1.238 851 I HN 0.557 nan 8.210 nan 0.000 0.426 852 S N 7.060 123.095 115.700 0.558 0.000 2.669 852 S HA 0.515 4.985 4.470 -0.001 0.000 0.315 852 S C -0.621 174.229 174.600 0.416 0.000 1.106 852 S CA -0.719 57.809 58.200 0.546 0.000 1.107 852 S CB 0.451 64.139 63.200 0.814 0.000 0.990 852 S HN 0.541 nan 8.310 nan 0.000 0.471 853 R N 3.515 124.179 120.500 0.273 0.000 2.312 853 R HA 0.562 4.902 4.340 -0.001 0.000 0.311 853 R C -0.468 175.913 176.300 0.135 0.000 1.004 853 R CA -0.608 55.604 56.100 0.186 0.000 0.902 853 R CB 1.434 31.814 30.300 0.133 0.000 1.073 853 R HN 0.542 nan 8.270 nan 0.000 0.457 854 K N 0.565 121.034 120.400 0.116 0.000 2.480 854 K HA 0.463 4.782 4.320 -0.001 0.000 0.258 854 K C -0.957 175.628 176.600 -0.024 0.000 0.990 854 K CA -0.912 55.368 56.287 -0.011 0.000 0.857 854 K CB 2.566 35.034 32.500 -0.054 0.000 1.384 854 K HN 0.646 nan 8.250 nan 0.000 0.446 855 T N -1.146 113.314 114.554 -0.157 0.000 3.143 855 T HA 0.422 4.771 4.350 -0.001 0.000 0.312 855 T C -1.356 173.258 174.700 -0.143 0.000 0.986 855 T CA -0.793 61.268 62.100 -0.064 0.000 1.024 855 T CB 0.049 68.895 68.868 -0.036 0.000 1.030 855 T HN 0.332 nan 8.240 nan 0.000 0.448 856 Y N 1.785 122.045 120.300 -0.066 0.000 2.326 856 Y HA 0.649 5.198 4.550 -0.001 0.000 0.337 856 Y C 0.840 176.664 175.900 -0.126 0.000 1.023 856 Y CA -1.285 56.788 58.100 -0.045 0.000 1.143 856 Y CB 1.418 39.886 38.460 0.014 0.000 1.183 856 Y HN 0.675 nan 8.280 nan 0.000 0.485 857 R N 4.529 125.047 120.500 0.029 0.000 2.352 857 R HA 0.537 4.876 4.340 -0.001 0.000 0.304 857 R C -1.696 174.542 176.300 -0.104 0.000 1.104 857 R CA -0.299 55.771 56.100 -0.051 0.000 0.991 857 R CB 0.151 30.430 30.300 -0.036 0.000 1.140 857 R HN 0.775 nan 8.270 nan 0.000 0.540 858 I N 4.774 125.219 120.570 -0.209 0.000 2.304 858 I HA 0.212 4.382 4.170 -0.001 0.000 0.291 858 I C -0.080 175.913 176.117 -0.207 0.000 1.018 858 I CA -0.588 60.501 61.300 -0.351 0.000 1.260 858 I CB 1.131 38.690 38.000 -0.736 0.000 1.390 858 I HN 0.643 nan 8.210 nan 0.000 0.475 859 D N 3.867 124.192 120.400 -0.125 0.000 2.592 859 D HA 0.356 4.995 4.640 -0.001 0.000 0.259 859 D C 1.360 177.657 176.300 -0.007 0.000 1.144 859 D CA -0.658 53.309 54.000 -0.054 0.000 1.080 859 D CB 0.643 41.426 40.800 -0.028 0.000 1.225 859 D HN 0.401 nan 8.370 nan 0.000 0.619 860 G N -0.822 107.985 108.800 0.012 0.000 2.469 860 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.220 860 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.220 860 G C 1.356 176.296 174.900 0.067 0.000 1.136 860 G CA 1.378 46.503 45.100 0.043 0.000 0.759 860 G HN 0.596 nan 8.290 nan 0.000 0.562 861 S N -0.247 115.488 115.700 0.059 0.000 2.603 861 S HA 0.317 4.786 4.470 -0.001 0.000 0.229 861 S C 1.785 176.452 174.600 0.111 0.000 0.972 861 S CA 0.964 59.210 58.200 0.076 0.000 0.935 861 S CB -0.320 62.918 63.200 0.062 0.000 0.769 861 S HN 1.648 nan 8.310 nan 0.000 0.536 862 G N 0.737 109.617 108.800 0.134 0.000 2.182 862 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.248 862 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.248 862 G C -0.364 174.690 174.900 0.257 0.000 1.042 862 G CA 0.028 45.282 45.100 0.255 0.000 0.775 862 G HN 0.641 nan 8.290 nan 0.000 0.501 863 Q N -0.795 119.078 119.800 0.122 0.000 2.316 863 Q HA 0.629 4.968 4.340 -0.001 0.000 0.264 863 Q C 0.129 176.152 176.000 0.038 0.000 0.987 863 Q CA -0.654 55.225 55.803 0.127 0.000 0.852 863 Q CB 1.996 30.800 28.738 0.109 0.000 1.287 863 Q HN 0.441 nan 8.270 nan 0.000 0.448 864 M N 2.095 121.753 119.600 0.098 0.000 2.113 864 M HA 0.488 4.967 4.480 -0.001 0.000 0.352 864 M C -1.143 175.244 176.300 0.146 0.000 1.170 864 M CA -0.374 54.950 55.300 0.040 0.000 1.053 864 M CB 0.751 33.399 32.600 0.080 0.000 1.601 864 M HN 0.731 nan 8.290 nan 0.000 0.459 865 A N 7.697 130.567 122.820 0.084 0.000 2.341 865 A HA 0.557 4.876 4.320 -0.001 0.000 0.326 865 A C -0.622 176.984 177.584 0.036 0.000 1.402 865 A CA -0.683 51.401 52.037 0.079 0.000 0.957 865 A CB -0.227 18.800 19.000 0.045 0.000 1.151 865 A HN 0.925 nan 8.150 nan 0.000 0.533 866 I N 2.226 122.815 120.570 0.032 0.000 2.325 866 I HA 0.247 4.416 4.170 -0.001 0.000 0.291 866 I C 0.082 176.080 176.117 -0.199 0.000 1.019 866 I CA 0.071 61.281 61.300 -0.150 0.000 1.302 866 I CB 1.434 39.379 38.000 -0.091 0.000 1.401 866 I HN 0.396 nan 8.210 nan 0.000 0.485 867 T N 6.234 120.630 114.554 -0.264 0.000 2.809 867 T HA 0.429 4.779 4.350 -0.001 0.000 0.296 867 T C -0.118 174.382 174.700 -0.333 0.000 1.015 867 T CA -0.391 61.554 62.100 -0.259 0.000 0.954 867 T CB 1.193 69.999 68.868 -0.103 0.000 0.950 867 T HN 0.212 nan 8.240 nan 0.000 0.450 868 V N 3.636 123.219 119.914 -0.553 0.000 2.547 868 V HA 0.541 4.660 4.120 -0.001 0.000 0.299 868 V C -0.203 175.727 176.094 -0.273 0.000 1.040 868 V CA -0.822 61.183 62.300 -0.490 0.000 0.913 868 V CB 1.853 33.112 31.823 -0.941 0.000 0.992 868 V HN 0.792 nan 8.190 nan 0.000 0.449 869 D N 2.672 123.083 120.400 0.018 0.000 2.386 869 D HA 0.384 5.024 4.640 -0.001 0.000 0.247 869 D C -0.896 175.546 176.300 0.235 0.000 1.336 869 D CA -0.017 54.094 54.000 0.185 0.000 0.976 869 D CB 2.313 43.239 40.800 0.209 0.000 1.257 869 D HN 0.269 nan 8.370 nan 0.000 0.570 870 V N 1.630 121.726 119.914 0.304 0.000 2.716 870 V HA 0.393 4.512 4.120 -0.001 0.000 0.304 870 V C 0.442 176.692 176.094 0.260 0.000 1.053 870 V CA -0.596 61.892 62.300 0.312 0.000 0.984 870 V CB 2.389 34.433 31.823 0.368 0.000 1.021 870 V HN 0.317 nan 8.190 nan 0.000 0.467 871 E N 1.409 121.743 120.200 0.224 0.000 2.222 871 E HA 0.652 5.002 4.350 -0.001 0.000 0.267 871 E C -1.724 174.982 176.600 0.175 0.000 0.884 871 E CA -0.564 55.945 56.400 0.181 0.000 0.764 871 E CB 2.560 32.345 29.700 0.143 0.000 1.169 871 E HN 0.435 nan 8.360 nan 0.000 0.413 872 V N 1.893 121.910 119.914 0.172 0.000 2.531 872 V HA 0.386 4.505 4.120 -0.001 0.000 0.301 872 V C -0.024 176.122 176.094 0.086 0.000 1.034 872 V CA -1.005 61.389 62.300 0.157 0.000 0.865 872 V CB 1.553 33.521 31.823 0.242 0.000 0.995 872 V HN 0.851 nan 8.190 nan 0.000 0.424 873 A N 3.322 126.131 122.820 -0.018 0.000 2.566 873 A HA 0.230 4.549 4.320 -0.001 0.000 0.245 873 A C 1.335 178.947 177.584 0.046 0.000 1.056 873 A CA 0.671 52.702 52.037 -0.011 0.000 0.757 873 A CB 0.115 19.068 19.000 -0.077 0.000 0.979 873 A HN 1.448 nan 8.150 nan 0.000 0.508 874 S N 1.258 116.996 115.700 0.063 0.000 2.881 874 S HA 0.061 4.531 4.470 -0.001 0.000 0.228 874 S C 0.263 174.900 174.600 0.062 0.000 0.965 874 S CA 0.512 58.767 58.200 0.092 0.000 0.998 874 S CB -0.313 62.934 63.200 0.079 0.000 0.795 874 S HN 0.809 nan 8.310 nan 0.000 0.518 875 D N -1.373 119.045 120.400 0.031 0.000 2.740 875 D HA 0.094 4.734 4.640 -0.001 0.000 0.305 875 D C -0.390 175.906 176.300 -0.007 0.000 1.583 875 D CA -0.277 53.727 54.000 0.006 0.000 0.790 875 D CB -0.088 40.716 40.800 0.006 0.000 1.187 875 D HN 0.189 nan 8.370 nan 0.000 0.447 876 T N 1.874 116.430 114.554 0.004 0.000 2.841 876 T HA 0.440 4.790 4.350 -0.001 0.000 0.285 876 T C -2.794 171.957 174.700 0.085 0.000 0.991 876 T CA -1.517 60.612 62.100 0.049 0.000 0.966 876 T CB 1.731 70.634 68.868 0.057 0.000 0.962 876 T HN -0.135 nan 8.240 nan 0.000 0.438 877 P HA -0.068 nan 4.420 nan 0.000 0.261 877 P C -0.370 177.203 177.300 0.456 0.000 1.158 877 P CA 0.092 63.288 63.100 0.160 0.000 0.758 877 P CB 0.223 32.037 31.700 0.189 0.000 0.763 878 H N 3.903 123.355 119.070 0.637 0.000 3.034 878 H HA 0.039 4.594 4.556 -0.001 0.000 0.324 878 H C -1.546 174.090 175.328 0.513 0.000 1.015 878 H CA -1.286 55.054 56.048 0.487 0.000 1.429 878 H CB -0.733 29.262 29.762 0.389 0.000 1.429 878 H HN 0.404 nan 8.280 nan 0.000 0.585 879 P HA -0.014 nan 4.420 nan 0.000 0.267 879 P C 0.366 177.542 177.300 -0.205 0.000 1.200 879 P CA -0.090 63.005 63.100 -0.009 0.000 0.772 879 P CB 0.710 32.290 31.700 -0.200 0.000 0.855 880 A N 3.786 126.239 122.820 -0.611 0.000 2.067 880 A HA -0.086 4.234 4.320 -0.001 0.000 0.219 880 A C 1.075 178.286 177.584 -0.622 0.000 1.158 880 A CA 1.226 52.874 52.037 -0.648 0.000 0.661 880 A CB -0.513 17.859 19.000 -1.047 0.000 0.801 880 A HN 0.772 nan 8.150 nan 0.000 0.452 881 R N -3.139 117.025 120.500 -0.559 0.000 2.741 881 R HA 0.715 5.054 4.340 -0.001 0.000 0.276 881 R C -1.604 174.462 176.300 -0.390 0.000 1.028 881 R CA -0.780 55.008 56.100 -0.521 0.000 0.865 881 R CB 0.662 30.590 30.300 -0.621 0.000 1.268 881 R HN -0.018 nan 8.270 nan 0.000 0.475 882 I N 0.989 121.363 120.570 -0.326 0.000 2.560 882 I HA 0.622 4.791 4.170 -0.001 0.000 0.278 882 I C -0.518 175.368 176.117 -0.384 0.000 1.089 882 I CA -0.324 60.817 61.300 -0.265 0.000 1.086 882 I CB 1.744 39.643 38.000 -0.169 0.000 1.202 882 I HN 0.974 nan 8.210 nan 0.000 0.471 883 G N 5.601 114.120 108.800 -0.469 0.000 2.772 883 G HA2 0.772 4.732 3.960 -0.001 0.000 0.284 883 G HA3 0.772 4.732 3.960 -0.001 0.000 0.284 883 G C -1.564 173.174 174.900 -0.271 0.000 1.217 883 G CA -0.521 44.333 45.100 -0.410 0.000 0.831 883 G HN 0.236 nan 8.290 nan 0.000 0.523 884 L N 0.780 121.895 121.223 -0.181 0.000 2.327 884 L HA 0.676 5.015 4.340 -0.001 0.000 0.258 884 L C -0.809 175.961 176.870 -0.166 0.000 1.024 884 L CA -1.111 53.653 54.840 -0.128 0.000 0.825 884 L CB 2.539 44.611 42.059 0.023 0.000 1.386 884 L HN 0.836 nan 8.230 nan 0.000 0.417 885 N N 0.368 119.002 118.700 -0.111 0.000 2.859 885 N HA 0.624 5.364 4.740 -0.001 0.000 0.250 885 N C -1.450 174.088 175.510 0.047 0.000 1.341 885 N CA -0.501 52.515 53.050 -0.056 0.000 0.881 885 N CB 2.398 40.847 38.487 -0.064 0.000 1.516 885 N HN 0.875 nan 8.380 nan 0.000 0.503 886 C N -1.182 118.190 119.300 0.119 0.000 3.303 886 C HA 0.510 4.970 4.460 -0.001 0.000 0.340 886 C C -1.042 173.893 174.990 -0.092 0.000 1.274 886 C CA -0.844 58.224 59.018 0.083 0.000 1.234 886 C CB 1.041 28.831 27.740 0.085 0.000 1.532 886 C HN 0.846 nan 8.230 nan 0.000 0.483 887 Q N 1.667 121.161 119.800 -0.509 0.000 2.390 887 Q HA 0.599 4.939 4.340 -0.001 0.000 0.249 887 Q C -0.580 175.145 176.000 -0.458 0.000 0.996 887 Q CA -0.371 54.827 55.803 -1.007 0.000 0.899 887 Q CB 0.617 28.325 28.738 -1.716 0.000 1.216 887 Q HN 0.746 nan 8.270 nan 0.000 0.465 888 L N 2.060 123.130 121.223 -0.255 0.000 2.473 888 L HA 0.151 4.491 4.340 -0.001 0.000 0.268 888 L C 1.176 177.991 176.870 -0.091 0.000 1.215 888 L CA -0.051 54.758 54.840 -0.051 0.000 0.823 888 L CB 0.471 42.609 42.059 0.132 0.000 1.099 888 L HN 0.765 nan 8.230 nan 0.000 0.483 889 A N 1.328 124.133 122.820 -0.025 0.000 1.975 889 A HA 0.014 4.333 4.320 -0.001 0.000 0.215 889 A C 1.025 178.598 177.584 -0.017 0.000 1.170 889 A CA 0.334 52.338 52.037 -0.054 0.000 0.656 889 A CB -0.130 18.834 19.000 -0.060 0.000 0.821 889 A HN 0.785 nan 8.150 nan 0.000 0.449 890 Q N -1.162 118.661 119.800 0.038 0.000 2.471 890 Q HA 0.481 4.820 4.340 -0.001 0.000 0.223 890 Q C -0.786 175.235 176.000 0.034 0.000 1.045 890 Q CA 0.385 56.189 55.803 0.002 0.000 0.956 890 Q CB 0.987 29.695 28.738 -0.050 0.000 1.249 890 Q HN 0.083 nan 8.270 nan 0.000 0.549 891 V N 1.035 120.937 119.914 -0.020 0.000 2.629 891 V HA 0.514 4.633 4.120 -0.001 0.000 0.263 891 V C -0.817 175.267 176.094 -0.017 0.000 0.959 891 V CA -0.637 61.695 62.300 0.054 0.000 0.869 891 V CB 0.985 32.823 31.823 0.024 0.000 1.060 891 V HN 0.821 nan 8.190 nan 0.000 0.474 892 A N 2.264 125.000 122.820 -0.141 0.000 2.287 892 A HA 0.635 4.954 4.320 -0.001 0.000 0.273 892 A C 0.951 178.588 177.584 0.088 0.000 1.091 892 A CA -0.226 51.709 52.037 -0.170 0.000 0.817 892 A CB 0.660 19.337 19.000 -0.540 0.000 1.069 892 A HN 0.738 nan 8.150 nan 0.000 0.492 893 E N -0.157 120.077 120.200 0.058 0.000 2.230 893 E HA -0.019 4.330 4.350 -0.001 0.000 0.192 893 E C 0.160 176.846 176.600 0.143 0.000 0.987 893 E CA 0.574 57.029 56.400 0.092 0.000 0.841 893 E CB 0.178 29.907 29.700 0.049 0.000 0.783 893 E HN 0.441 nan 8.360 nan 0.000 0.481 894 R N 0.203 120.806 120.500 0.172 0.000 2.892 894 R HA 0.562 4.901 4.340 -0.001 0.000 0.265 894 R C -0.703 175.795 176.300 0.331 0.000 1.025 894 R CA -0.866 55.359 56.100 0.209 0.000 0.982 894 R CB 1.888 32.277 30.300 0.148 0.000 1.185 894 R HN -0.189 nan 8.270 nan 0.000 0.484 895 V N 1.534 121.640 119.914 0.321 0.000 2.623 895 V HA 0.368 4.487 4.120 -0.001 0.000 0.304 895 V C -0.495 175.868 176.094 0.448 0.000 1.054 895 V CA -0.960 61.566 62.300 0.377 0.000 0.882 895 V CB 2.073 34.051 31.823 0.259 0.000 1.002 895 V HN 0.652 nan 8.190 nan 0.000 0.424 896 N N 3.988 122.937 118.700 0.414 0.000 2.314 896 N HA 0.595 5.335 4.740 -0.001 0.000 0.294 896 N C -1.492 174.289 175.510 0.452 0.000 1.029 896 N CA -0.406 52.864 53.050 0.367 0.000 0.845 896 N CB 2.848 41.441 38.487 0.177 0.000 1.321 896 N HN 0.829 nan 8.380 nan 0.000 0.481 897 W N 3.230 124.584 121.300 0.089 0.000 3.213 897 W HA 0.541 5.200 4.660 -0.001 0.000 0.318 897 W C -2.140 174.370 176.519 -0.015 0.000 1.248 897 W CA -1.067 56.312 57.345 0.056 0.000 1.187 897 W CB 0.579 30.106 29.460 0.113 0.000 1.403 897 W HN 0.223 nan 8.180 nan 0.000 0.556 898 L N 4.628 125.816 121.223 -0.059 0.000 2.277 898 L HA 0.905 5.244 4.340 -0.001 0.000 0.284 898 L C 0.075 176.797 176.870 -0.246 0.000 1.028 898 L CA 0.490 55.107 54.840 -0.372 0.000 0.835 898 L CB 0.465 42.389 42.059 -0.224 0.000 1.215 898 L HN 0.990 nan 8.230 nan 0.000 0.425 899 G N 3.760 112.299 108.800 -0.434 0.000 2.356 899 G HA2 0.195 4.155 3.960 -0.001 0.000 0.281 899 G HA3 0.195 4.155 3.960 -0.001 0.000 0.281 899 G C -1.585 173.434 174.900 0.197 0.000 1.246 899 G CA -1.030 44.102 45.100 0.055 0.000 0.889 899 G HN 0.381 nan 8.290 nan 0.000 0.486 900 L N 1.457 122.897 121.223 0.361 0.000 2.361 900 L HA 0.584 4.923 4.340 -0.001 0.000 0.278 900 L C 1.044 178.035 176.870 0.202 0.000 1.113 900 L CA 0.758 55.752 54.840 0.255 0.000 0.849 900 L CB 0.435 42.578 42.059 0.142 0.000 1.155 900 L HN 1.077 nan 8.230 nan 0.000 0.452 901 G N 3.382 112.081 108.800 -0.168 0.000 2.494 901 G HA2 0.278 4.237 3.960 -0.001 0.000 0.308 901 G HA3 0.278 4.237 3.960 -0.001 0.000 0.308 901 G C -2.670 171.402 174.900 -1.380 0.000 1.263 901 G CA -0.219 44.428 45.100 -0.755 0.000 0.840 901 G HN 0.315 nan 8.290 nan 0.000 0.479 902 P HA 0.034 nan 4.420 nan 0.000 0.224 902 P C 0.445 177.539 177.300 -0.344 0.000 1.157 902 P CA 0.705 63.149 63.100 -1.094 0.000 0.799 902 P CB 0.456 31.651 31.700 -0.841 0.000 0.809 903 Q N 0.614 120.206 119.800 -0.346 0.000 2.396 903 Q HA 0.127 4.466 4.340 -0.001 0.000 0.221 903 Q C 0.473 176.351 176.000 -0.204 0.000 1.025 903 Q CA -0.487 55.189 55.803 -0.212 0.000 0.946 903 Q CB 0.537 29.176 28.738 -0.166 0.000 1.224 903 Q HN 0.157 nan 8.270 nan 0.000 0.539 904 E N 1.404 121.490 120.200 -0.191 0.000 2.529 904 E HA -0.090 4.260 4.350 -0.001 0.000 0.259 904 E C -1.174 175.347 176.600 -0.132 0.000 0.966 904 E CA 0.163 56.441 56.400 -0.204 0.000 0.937 904 E CB 0.242 29.867 29.700 -0.125 0.000 0.923 904 E HN 0.587 nan 8.360 nan 0.000 0.468 905 N N 2.909 121.472 118.700 -0.229 0.000 2.324 905 N HA 0.303 5.042 4.740 -0.001 0.000 0.285 905 N C -1.901 173.425 175.510 -0.306 0.000 1.076 905 N CA -0.677 52.294 53.050 -0.132 0.000 0.864 905 N CB 0.735 39.155 38.487 -0.111 0.000 1.632 905 N HN 0.251 nan 8.380 nan 0.000 0.478 906 Y N 0.461 120.686 120.300 -0.125 0.000 2.562 906 Y HA 0.494 5.043 4.550 -0.001 0.000 0.343 906 Y C -1.582 174.284 175.900 -0.057 0.000 1.025 906 Y CA -1.987 56.034 58.100 -0.132 0.000 1.082 906 Y CB 1.860 40.235 38.460 -0.142 0.000 1.264 906 Y HN 0.444 nan 8.280 nan 0.000 0.478 907 P HA -0.256 nan 4.420 nan 0.000 0.219 907 P C 0.616 177.984 177.300 0.113 0.000 1.161 907 P CA 2.476 65.718 63.100 0.237 0.000 0.909 907 P CB 0.173 32.111 31.700 0.396 0.000 0.793 908 D N -2.117 118.073 120.400 -0.350 0.000 2.319 908 D HA -0.033 4.606 4.640 -0.001 0.000 0.230 908 D C 0.623 176.772 176.300 -0.251 0.000 1.094 908 D CA 0.220 53.711 54.000 -0.848 0.000 0.856 908 D CB -0.199 39.812 40.800 -1.316 0.000 0.915 908 D HN 0.170 nan 8.370 nan 0.000 0.517 909 R N 0.904 121.378 120.500 -0.044 0.000 2.797 909 R HA 0.141 4.480 4.340 -0.001 0.000 0.230 909 R C -0.716 175.632 176.300 0.080 0.000 1.591 909 R CA -0.151 55.976 56.100 0.045 0.000 1.501 909 R CB 0.017 30.338 30.300 0.036 0.000 1.524 909 R HN 0.107 nan 8.270 nan 0.000 0.711 910 L N -1.559 119.724 121.223 0.099 0.000 3.520 910 L HA 0.323 4.662 4.340 -0.001 0.000 0.323 910 L C 1.370 178.314 176.870 0.123 0.000 1.246 910 L CA 0.215 55.109 54.840 0.091 0.000 1.085 910 L CB 0.057 42.161 42.059 0.075 0.000 1.477 910 L HN 0.124 nan 8.230 nan 0.000 0.624 911 T N -1.993 112.660 114.554 0.166 0.000 2.720 911 T HA -0.135 4.214 4.350 -0.001 0.000 0.268 911 T C 1.886 176.668 174.700 0.136 0.000 1.037 911 T CA 1.679 63.901 62.100 0.204 0.000 1.144 911 T CB -0.584 68.451 68.868 0.279 0.000 0.864 911 T HN 0.404 nan 8.240 nan 0.000 0.444 912 A N 2.165 125.076 122.820 0.150 0.000 2.015 912 A HA 0.530 4.849 4.320 -0.001 0.000 0.219 912 A C 1.711 179.393 177.584 0.163 0.000 1.163 912 A CA 0.814 52.889 52.037 0.064 0.000 0.646 912 A CB -1.169 18.000 19.000 0.283 0.000 0.806 912 A HN 0.918 nan 8.150 nan 0.000 0.448 913 A N -1.161 121.704 122.820 0.075 0.000 2.445 913 A HA 0.431 4.751 4.320 -0.001 0.000 0.242 913 A C 0.120 177.740 177.584 0.060 0.000 1.075 913 A CA -0.004 52.035 52.037 0.002 0.000 0.777 913 A CB -0.173 18.813 19.000 -0.023 0.000 1.013 913 A HN 0.520 nan 8.150 nan 0.000 0.493 914 C N 0.611 119.943 119.300 0.053 0.000 2.529 914 C HA 0.583 5.043 4.460 -0.001 0.000 0.329 914 C C -0.133 174.981 174.990 0.206 0.000 1.194 914 C CA -0.493 58.613 59.018 0.147 0.000 1.779 914 C CB 0.838 28.673 27.740 0.159 0.000 2.322 914 C HN 0.783 nan 8.230 nan 0.000 0.500 915 F N 3.374 123.176 119.950 -0.247 0.000 2.424 915 F HA 0.535 5.062 4.527 -0.001 0.000 0.356 915 F C 0.310 175.755 175.800 -0.592 0.000 1.110 915 F CA 0.972 58.664 58.000 -0.513 0.000 1.161 915 F CB 0.028 38.233 39.000 -1.327 0.000 1.115 915 F HN 0.656 nan 8.300 nan 0.000 0.507 916 D N 3.121 122.751 120.400 -1.283 0.000 2.893 916 D HA 0.126 4.765 4.640 -0.001 0.000 0.346 916 D C -1.706 173.639 176.300 -1.591 0.000 1.402 916 D CA -0.729 52.444 54.000 -1.379 0.000 0.815 916 D CB 1.351 41.315 40.800 -1.394 0.000 1.403 916 D HN 0.455 nan 8.370 nan 0.000 0.484 917 R N 0.742 120.440 120.500 -1.336 0.000 2.202 917 R HA 0.495 4.835 4.340 -0.001 0.000 0.334 917 R C -1.433 174.139 176.300 -1.214 0.000 1.036 917 R CA -0.081 55.410 56.100 -1.016 0.000 0.878 917 R CB 0.148 30.091 30.300 -0.596 0.000 1.067 917 R HN 0.270 nan 8.270 nan 0.000 0.457 918 W N 2.950 123.725 121.300 -0.876 0.000 2.666 918 W HA 0.408 5.067 4.660 -0.001 0.000 0.334 918 W C -0.485 175.705 176.519 -0.549 0.000 1.051 918 W CA -0.741 56.053 57.345 -0.919 0.000 1.224 918 W CB 1.779 30.214 29.460 -1.708 0.000 1.405 918 W HN 0.360 nan 8.180 nan 0.000 0.513 919 D N 3.148 123.553 120.400 0.007 0.000 2.788 919 D HA 0.586 5.225 4.640 -0.001 0.000 0.247 919 D C -1.335 175.083 176.300 0.197 0.000 1.236 919 D CA -0.201 53.879 54.000 0.133 0.000 0.898 919 D CB 1.326 42.157 40.800 0.053 0.000 1.401 919 D HN 0.393 nan 8.370 nan 0.000 0.549 920 L N 3.211 124.608 121.223 0.290 0.000 2.409 920 L HA 0.542 4.881 4.340 -0.001 0.000 0.255 920 L C -2.397 174.587 176.870 0.190 0.000 1.027 920 L CA -1.980 52.996 54.840 0.225 0.000 0.834 920 L CB 3.022 45.239 42.059 0.263 0.000 1.426 920 L HN 0.170 nan 8.230 nan 0.000 0.411 921 P HA 0.043 nan 4.420 nan 0.000 0.275 921 P C 0.649 178.019 177.300 0.116 0.000 1.227 921 P CA -0.406 62.764 63.100 0.118 0.000 0.781 921 P CB 1.361 33.111 31.700 0.084 0.000 0.906 922 L N 4.108 125.409 121.223 0.130 0.000 2.123 922 L HA -0.313 4.026 4.340 -0.001 0.000 0.217 922 L C 2.364 179.268 176.870 0.058 0.000 1.081 922 L CA 2.949 57.846 54.840 0.094 0.000 0.772 922 L CB -1.562 40.571 42.059 0.122 0.000 0.890 922 L HN 0.506 nan 8.230 nan 0.000 0.437 923 S N -1.854 113.888 115.700 0.070 0.000 2.399 923 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 923 S C 1.556 176.217 174.600 0.101 0.000 1.022 923 S CA 1.111 59.366 58.200 0.091 0.000 0.983 923 S CB -0.764 62.484 63.200 0.080 0.000 0.803 923 S HN 0.551 nan 8.310 nan 0.000 0.480 924 D N 1.090 121.526 120.400 0.060 0.000 2.378 924 D HA 0.109 4.749 4.640 -0.001 0.000 0.227 924 D C 0.935 177.219 176.300 -0.028 0.000 1.012 924 D CA 0.492 54.503 54.000 0.019 0.000 0.905 924 D CB -0.099 40.719 40.800 0.031 0.000 0.895 924 D HN 0.391 nan 8.370 nan 0.000 0.532 925 M N -0.372 119.218 119.600 -0.015 0.000 2.453 925 M HA 0.093 4.573 4.480 -0.001 0.000 0.239 925 M C -0.286 175.991 176.300 -0.039 0.000 1.151 925 M CA -0.187 55.052 55.300 -0.102 0.000 0.989 925 M CB -0.661 31.869 32.600 -0.116 0.000 1.548 925 M HN -0.059 nan 8.290 nan 0.000 0.479 926 Y N 0.044 120.276 120.300 -0.113 0.000 2.373 926 Y HA 0.476 5.025 4.550 -0.001 0.000 0.336 926 Y C -0.798 175.009 175.900 -0.155 0.000 0.979 926 Y CA -0.943 57.102 58.100 -0.092 0.000 1.080 926 Y CB 1.289 39.761 38.460 0.019 0.000 1.190 926 Y HN -0.094 nan 8.280 nan 0.000 0.446 927 T N 9.147 123.126 114.554 -0.958 0.000 2.738 927 T HA 0.244 4.593 4.350 -0.001 0.000 0.298 927 T C -2.454 171.390 174.700 -1.428 0.000 0.962 927 T CA -1.454 60.015 62.100 -1.052 0.000 0.972 927 T CB 0.988 69.252 68.868 -1.006 0.000 0.928 927 T HN 0.486 nan 8.240 nan 0.000 0.474 928 P HA -0.009 nan 4.420 nan 0.000 0.262 928 P C -0.596 176.539 177.300 -0.275 0.000 1.647 928 P CA -0.315 62.399 63.100 -0.643 0.000 0.865 928 P CB -0.594 30.847 31.700 -0.432 0.000 1.834 929 Y N -0.201 120.013 120.300 -0.143 0.000 2.717 929 Y HA -0.099 4.451 4.550 -0.001 0.000 0.330 929 Y C 2.269 178.217 175.900 0.081 0.000 1.217 929 Y CA -0.191 57.917 58.100 0.014 0.000 1.506 929 Y CB -0.107 38.290 38.460 -0.105 0.000 1.268 929 Y HN -0.133 nan 8.280 nan 0.000 0.561 930 V N 3.728 123.870 119.914 0.380 0.000 2.317 930 V HA -0.315 3.804 4.120 -0.001 0.000 0.251 930 V C 0.740 177.022 176.094 0.313 0.000 1.065 930 V CA 1.595 64.090 62.300 0.324 0.000 1.049 930 V CB -0.659 31.388 31.823 0.374 0.000 0.651 930 V HN 0.602 nan 8.190 nan 0.000 0.450 931 F N 2.762 122.781 119.950 0.116 0.000 2.371 931 F HA 0.510 5.036 4.527 -0.001 0.000 0.363 931 F C -2.416 173.419 175.800 0.058 0.000 1.122 931 F CA -3.785 54.238 58.000 0.039 0.000 1.129 931 F CB 0.639 39.574 39.000 -0.108 0.000 1.173 931 F HN -0.010 nan 8.300 nan 0.000 0.489 932 P HA 0.196 nan 4.420 nan 0.000 0.266 932 P C -0.997 175.929 177.300 -0.623 0.000 1.195 932 P CA 0.348 63.187 63.100 -0.435 0.000 0.768 932 P CB 0.910 32.411 31.700 -0.333 0.000 0.838 933 S N 0.387 115.932 115.700 -0.260 0.000 2.656 933 S HA 0.377 4.847 4.470 -0.001 0.000 0.265 933 S C -1.003 173.578 174.600 -0.033 0.000 1.132 933 S CA -1.023 57.080 58.200 -0.162 0.000 0.819 933 S CB 0.387 63.518 63.200 -0.116 0.000 1.119 933 S HN 0.324 nan 8.310 nan 0.000 0.476 934 E N 1.275 121.476 120.200 0.001 0.000 2.529 934 E HA 0.373 4.722 4.350 -0.001 0.000 0.259 934 E C -0.134 176.521 176.600 0.091 0.000 0.966 934 E CA 0.924 57.354 56.400 0.049 0.000 0.937 934 E CB -0.253 29.506 29.700 0.099 0.000 0.923 934 E HN 0.810 nan 8.360 nan 0.000 0.468 935 N N 1.638 120.403 118.700 0.109 0.000 3.046 935 N HA 0.491 5.230 4.740 -0.001 0.000 0.243 935 N C 0.218 175.733 175.510 0.008 0.000 1.452 935 N CA -0.518 52.611 53.050 0.131 0.000 0.882 935 N CB 0.831 39.336 38.487 0.031 0.000 1.425 935 N HN 0.714 nan 8.380 nan 0.000 0.517 936 G N -1.403 107.359 108.800 -0.064 0.000 2.184 936 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.264 936 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.264 936 G C -0.186 174.428 174.900 -0.477 0.000 0.975 936 G CA 0.435 45.387 45.100 -0.247 0.000 0.642 936 G HN 0.744 nan 8.290 nan 0.000 0.536 937 L N 0.046 120.918 121.223 -0.586 0.000 2.506 937 L HA 0.628 4.968 4.340 -0.001 0.000 0.281 937 L C 0.602 176.883 176.870 -0.983 0.000 1.228 937 L CA 0.490 54.754 54.840 -0.960 0.000 0.850 937 L CB 0.507 41.667 42.059 -1.499 0.000 1.110 937 L HN 0.256 nan 8.230 nan 0.000 0.496 938 R N 2.621 122.485 120.500 -1.060 0.000 2.514 938 R HA 0.463 4.802 4.340 -0.001 0.000 0.296 938 R C -1.090 174.892 176.300 -0.530 0.000 1.012 938 R CA -0.270 55.333 56.100 -0.829 0.000 0.897 938 R CB 1.248 30.840 30.300 -1.180 0.000 1.184 938 R HN 0.724 nan 8.270 nan 0.000 0.440 939 C N 0.623 119.744 119.300 -0.297 0.000 2.325 939 C HA 0.753 5.213 4.460 -0.001 0.000 0.370 939 C C 1.290 176.270 174.990 -0.016 0.000 1.217 939 C CA -0.136 58.788 59.018 -0.156 0.000 2.254 939 C CB 1.227 28.898 27.740 -0.115 0.000 2.282 939 C HN 1.026 nan 8.230 nan 0.000 0.564 940 G N 2.010 110.802 108.800 -0.013 0.000 2.338 940 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.296 940 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.296 940 G C -0.131 174.832 174.900 0.104 0.000 1.040 940 G CA 0.381 45.513 45.100 0.053 0.000 1.004 940 G HN 0.837 nan 8.290 nan 0.000 0.509 941 T N 0.246 114.740 114.554 -0.100 0.000 2.767 941 T HA 0.519 4.869 4.350 -0.001 0.000 0.288 941 T C 1.324 175.781 174.700 -0.405 0.000 0.963 941 T CA -0.708 61.305 62.100 -0.145 0.000 1.019 941 T CB 1.435 70.198 68.868 -0.176 0.000 0.923 941 T HN 0.249 nan 8.240 nan 0.000 0.468 942 R N 1.568 122.043 120.500 -0.042 0.000 2.254 942 R HA 0.272 4.612 4.340 -0.001 0.000 0.193 942 R C 0.539 176.903 176.300 0.107 0.000 0.929 942 R CA 0.213 56.334 56.100 0.036 0.000 1.038 942 R CB 0.363 30.779 30.300 0.193 0.000 1.009 942 R HN 0.660 nan 8.270 nan 0.000 0.512 943 E N 0.761 121.029 120.200 0.114 0.000 2.291 943 E HA 0.273 4.622 4.350 -0.001 0.000 0.276 943 E C -1.785 174.970 176.600 0.258 0.000 0.896 943 E CA -0.640 55.885 56.400 0.210 0.000 0.774 943 E CB 1.434 31.219 29.700 0.143 0.000 1.227 943 E HN -0.109 nan 8.360 nan 0.000 0.413 944 L N 4.589 126.028 121.223 0.360 0.000 2.356 944 L HA 0.567 4.906 4.340 -0.001 0.000 0.277 944 L C -1.703 175.392 176.870 0.375 0.000 0.996 944 L CA -0.468 54.546 54.840 0.289 0.000 0.822 944 L CB 1.545 43.673 42.059 0.114 0.000 1.256 944 L HN 0.434 nan 8.230 nan 0.000 0.413 945 N N 4.927 123.814 118.700 0.312 0.000 2.442 945 N HA 0.335 5.074 4.740 -0.001 0.000 0.274 945 N C -1.945 173.806 175.510 0.400 0.000 1.002 945 N CA -0.262 52.960 53.050 0.286 0.000 0.910 945 N CB 1.995 40.590 38.487 0.180 0.000 1.244 945 N HN 0.556 nan 8.380 nan 0.000 0.492 946 Y N 1.444 121.909 120.300 0.275 0.000 2.332 946 Y HA 0.432 4.982 4.550 -0.001 0.000 0.325 946 Y C 0.723 176.746 175.900 0.205 0.000 1.054 946 Y CA 0.024 58.288 58.100 0.272 0.000 1.119 946 Y CB 0.784 39.480 38.460 0.394 0.000 1.168 946 Y HN 0.846 nan 8.280 nan 0.000 0.439 947 G N 6.839 115.469 108.800 -0.282 0.000 2.596 947 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.295 947 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.295 947 G C -1.572 173.203 174.900 -0.209 0.000 1.240 947 G CA 0.124 45.037 45.100 -0.311 0.000 0.985 947 G HN 0.577 nan 8.290 nan 0.000 0.555 948 P HA 0.045 nan 4.420 nan 0.000 0.229 948 P C 0.424 177.525 177.300 -0.331 0.000 1.160 948 P CA 1.039 63.943 63.100 -0.328 0.000 0.777 948 P CB -0.111 31.347 31.700 -0.402 0.000 0.814 949 H N 0.462 119.439 119.070 -0.155 0.000 2.607 949 H HA 0.395 4.950 4.556 -0.001 0.000 0.367 949 H C 0.243 175.280 175.328 -0.485 0.000 1.181 949 H CA 0.355 56.165 56.048 -0.396 0.000 1.402 949 H CB 0.963 30.239 29.762 -0.810 0.000 1.474 949 H HN 0.136 nan 8.280 nan 0.000 0.596 950 Q N 1.879 121.367 119.800 -0.520 0.000 2.281 950 Q HA 0.183 4.523 4.340 -0.001 0.000 0.263 950 Q C -1.745 174.010 176.000 -0.409 0.000 0.989 950 Q CA -0.588 55.047 55.803 -0.280 0.000 0.852 950 Q CB 2.011 30.720 28.738 -0.048 0.000 1.337 950 Q HN 0.596 nan 8.270 nan 0.000 0.418 951 W N 3.889 125.157 121.300 -0.054 0.000 2.632 951 W HA 0.581 5.240 4.660 -0.001 0.000 0.328 951 W C -0.146 176.451 176.519 0.131 0.000 1.044 951 W CA -0.679 56.592 57.345 -0.124 0.000 1.225 951 W CB 1.978 31.155 29.460 -0.472 0.000 1.396 951 W HN 0.487 nan 8.180 nan 0.000 0.499 952 R N 0.748 121.472 120.500 0.373 0.000 2.750 952 R HA 0.780 5.119 4.340 -0.001 0.000 0.281 952 R C 0.203 176.752 176.300 0.415 0.000 0.972 952 R CA -0.469 55.864 56.100 0.388 0.000 0.912 952 R CB 2.411 32.855 30.300 0.240 0.000 1.187 952 R HN 0.753 nan 8.270 nan 0.000 0.464 953 G N 0.712 109.751 108.800 0.398 0.000 2.553 953 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.106 953 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.106 953 G C -1.652 173.375 174.900 0.212 0.000 1.126 953 G CA -0.331 44.971 45.100 0.337 0.000 1.075 953 G HN 0.509 nan 8.290 nan 0.000 0.472 954 D N 0.046 120.570 120.400 0.207 0.000 2.714 954 D HA 0.538 5.177 4.640 -0.001 0.000 0.264 954 D C -0.469 175.837 176.300 0.010 0.000 1.231 954 D CA -0.493 53.527 54.000 0.033 0.000 0.802 954 D CB -0.120 40.724 40.800 0.073 0.000 1.319 954 D HN 0.499 nan 8.370 nan 0.000 0.528 955 F N -0.635 119.323 119.950 0.014 0.000 2.712 955 F HA 0.789 5.315 4.527 -0.001 0.000 0.367 955 F C -0.531 175.249 175.800 -0.033 0.000 1.132 955 F CA -0.922 57.035 58.000 -0.071 0.000 1.066 955 F CB 0.734 39.691 39.000 -0.071 0.000 1.416 955 F HN -0.206 nan 8.300 nan 0.000 0.515 956 Q N 1.210 121.115 119.800 0.174 0.000 2.351 956 Q HA 0.652 4.992 4.340 -0.001 0.000 0.273 956 Q C -1.250 174.886 176.000 0.226 0.000 1.077 956 Q CA -0.583 55.238 55.803 0.029 0.000 0.843 956 Q CB 2.689 31.337 28.738 -0.149 0.000 1.367 956 Q HN 0.887 nan 8.270 nan 0.000 0.449 957 F N -1.466 118.379 119.950 -0.175 0.000 2.719 957 F HA 0.676 5.202 4.527 -0.001 0.000 0.309 957 F C -1.960 173.624 175.800 -0.360 0.000 1.138 957 F CA -1.126 56.730 58.000 -0.240 0.000 0.943 957 F CB 1.347 40.239 39.000 -0.180 0.000 1.304 957 F HN 0.584 nan 8.300 nan 0.000 0.445 958 N N 1.888 120.419 118.700 -0.282 0.000 2.324 958 N HA 0.638 5.377 4.740 -0.001 0.000 0.285 958 N C -2.242 173.198 175.510 -0.116 0.000 1.076 958 N CA -0.672 52.172 53.050 -0.343 0.000 0.864 958 N CB 2.473 40.784 38.487 -0.294 0.000 1.632 958 N HN 1.115 nan 8.380 nan 0.000 0.478 959 I N 1.430 121.932 120.570 -0.113 0.000 2.512 959 I HA 0.714 4.883 4.170 -0.001 0.000 0.287 959 I C -1.121 174.915 176.117 -0.136 0.000 1.069 959 I CA -0.051 61.158 61.300 -0.152 0.000 1.056 959 I CB 1.161 38.995 38.000 -0.276 0.000 1.229 959 I HN 0.993 nan 8.210 nan 0.000 0.429 960 S N 6.514 122.164 115.700 -0.083 0.000 2.757 960 S HA 0.552 5.022 4.470 -0.001 0.000 0.285 960 S C -0.048 174.486 174.600 -0.110 0.000 1.196 960 S CA -0.949 57.205 58.200 -0.076 0.000 0.856 960 S CB 1.707 64.932 63.200 0.042 0.000 1.212 960 S HN 0.599 nan 8.310 nan 0.000 0.516 961 R N -0.194 120.096 120.500 -0.349 0.000 2.388 961 R HA 0.287 4.626 4.340 -0.001 0.000 0.247 961 R C -1.039 174.945 176.300 -0.526 0.000 0.931 961 R CA 0.241 56.076 56.100 -0.442 0.000 1.082 961 R CB -0.848 29.084 30.300 -0.614 0.000 1.135 961 R HN 0.621 nan 8.270 nan 0.000 0.525 962 Y N 0.019 120.303 120.300 -0.026 0.000 2.376 962 Y HA 0.246 4.796 4.550 -0.001 0.000 0.340 962 Y C 0.649 176.365 175.900 -0.307 0.000 0.965 962 Y CA -1.278 56.734 58.100 -0.146 0.000 1.078 962 Y CB 1.436 39.756 38.460 -0.233 0.000 1.193 962 Y HN -0.104 nan 8.280 nan 0.000 0.452 963 S N 1.729 117.140 115.700 -0.480 0.000 2.592 963 S HA 0.101 4.570 4.470 -0.001 0.000 0.271 963 S C 0.867 175.132 174.600 -0.559 0.000 1.326 963 S CA -0.805 56.715 58.200 -1.134 0.000 1.024 963 S CB 1.288 63.660 63.200 -1.380 0.000 0.921 963 S HN 0.701 nan 8.310 nan 0.000 0.527 964 Q N 1.010 120.484 119.800 -0.542 0.000 2.135 964 Q HA -0.236 4.103 4.340 -0.001 0.000 0.204 964 Q C 2.210 178.072 176.000 -0.229 0.000 0.981 964 Q CA 2.125 57.754 55.803 -0.290 0.000 0.856 964 Q CB -0.565 28.026 28.738 -0.244 0.000 0.902 964 Q HN 1.002 nan 8.270 nan 0.000 0.425 965 Q N 0.681 120.315 119.800 -0.278 0.000 2.020 965 Q HA -0.242 4.098 4.340 -0.001 0.000 0.202 965 Q C 2.174 178.092 176.000 -0.136 0.000 0.982 965 Q CA 1.862 57.564 55.803 -0.169 0.000 0.838 965 Q CB -0.126 28.521 28.738 -0.151 0.000 0.899 965 Q HN 0.415 nan 8.270 nan 0.000 0.423 966 Q N 0.103 119.810 119.800 -0.155 0.000 2.077 966 Q HA -0.209 4.131 4.340 -0.001 0.000 0.206 966 Q C 2.216 178.147 176.000 -0.115 0.000 0.989 966 Q CA 1.864 57.610 55.803 -0.095 0.000 0.853 966 Q CB -0.232 28.453 28.738 -0.088 0.000 0.907 966 Q HN 0.561 nan 8.270 nan 0.000 0.418 967 L N 0.405 121.538 121.223 -0.150 0.000 2.043 967 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 967 L C 2.703 179.465 176.870 -0.180 0.000 1.075 967 L CA 1.743 56.479 54.840 -0.173 0.000 0.752 967 L CB -0.507 41.462 42.059 -0.149 0.000 0.891 967 L HN 0.536 nan 8.230 nan 0.000 0.432 968 M N -2.216 117.303 119.600 -0.136 0.000 2.558 968 M HA -0.011 4.468 4.480 -0.001 0.000 0.255 968 M C 1.291 177.545 176.300 -0.076 0.000 1.113 968 M CA 1.369 56.600 55.300 -0.114 0.000 1.097 968 M CB -0.116 32.420 32.600 -0.107 0.000 1.426 968 M HN 0.098 nan 8.290 nan 0.000 0.488 969 E N 0.841 121.001 120.200 -0.066 0.000 2.460 969 E HA 0.124 4.474 4.350 -0.001 0.000 0.200 969 E C -0.224 176.375 176.600 -0.001 0.000 1.011 969 E CA 0.146 56.533 56.400 -0.022 0.000 0.912 969 E CB 0.642 30.332 29.700 -0.016 0.000 0.953 969 E HN 0.395 nan 8.360 nan 0.000 0.494 970 T N 0.547 115.077 114.554 -0.040 0.000 2.837 970 T HA 0.116 4.465 4.350 -0.001 0.000 0.285 970 T C 1.141 175.848 174.700 0.012 0.000 0.984 970 T CA -0.355 61.733 62.100 -0.022 0.000 1.049 970 T CB 1.658 70.482 68.868 -0.075 0.000 0.947 970 T HN 0.035 nan 8.240 nan 0.000 0.472 971 S N 1.498 117.305 115.700 0.179 0.000 2.483 971 S HA 0.109 4.578 4.470 -0.001 0.000 0.221 971 S C 0.234 175.076 174.600 0.404 0.000 1.030 971 S CA 0.089 58.531 58.200 0.403 0.000 0.925 971 S CB -0.158 63.379 63.200 0.560 0.000 0.795 971 S HN 0.725 nan 8.310 nan 0.000 0.511 972 H N 0.943 120.110 119.070 0.163 0.000 2.637 972 H HA 0.531 5.087 4.556 -0.001 0.000 0.363 972 H C 0.931 176.321 175.328 0.103 0.000 1.131 972 H CA -0.865 55.328 56.048 0.241 0.000 1.183 972 H CB 1.391 31.349 29.762 0.327 0.000 1.637 972 H HN 0.165 nan 8.280 nan 0.000 0.531 973 R N 1.503 122.160 120.500 0.261 0.000 2.200 973 R HA -0.159 4.180 4.340 -0.001 0.000 0.234 973 R C 0.884 177.249 176.300 0.108 0.000 1.127 973 R CA 1.766 57.940 56.100 0.123 0.000 0.989 973 R CB -0.356 30.030 30.300 0.144 0.000 0.869 973 R HN 0.742 nan 8.270 nan 0.000 0.459 974 H N 0.673 119.771 119.070 0.047 0.000 2.547 974 H HA 0.123 4.678 4.556 -0.001 0.000 0.266 974 H C 1.175 176.446 175.328 -0.096 0.000 0.988 974 H CA 0.269 56.303 56.048 -0.025 0.000 1.147 974 H CB 0.074 29.817 29.762 -0.032 0.000 1.365 974 H HN 0.300 nan 8.280 nan 0.000 0.589 975 L N 1.071 121.999 121.223 -0.491 0.000 2.667 975 L HA 0.283 4.623 4.340 -0.001 0.000 0.232 975 L C 0.282 177.065 176.870 -0.145 0.000 1.138 975 L CA -0.106 54.482 54.840 -0.420 0.000 0.921 975 L CB 0.296 42.086 42.059 -0.448 0.000 1.180 975 L HN 0.053 nan 8.230 nan 0.000 0.487 976 L N 1.823 122.978 121.223 -0.114 0.000 2.331 976 L HA 0.214 4.553 4.340 -0.001 0.000 0.278 976 L C 0.112 177.072 176.870 0.150 0.000 1.106 976 L CA -0.304 54.493 54.840 -0.072 0.000 0.824 976 L CB 0.510 42.296 42.059 -0.455 0.000 1.142 976 L HN 0.192 nan 8.230 nan 0.000 0.443 977 H N 2.549 121.695 119.070 0.127 0.000 2.495 977 H HA 0.613 5.168 4.556 -0.001 0.000 0.348 977 H C -0.553 174.855 175.328 0.134 0.000 1.113 977 H CA -1.169 54.948 56.048 0.115 0.000 1.195 977 H CB 1.276 31.056 29.762 0.031 0.000 1.521 977 H HN 0.651 nan 8.280 nan 0.000 0.509 978 A N 3.362 126.164 122.820 -0.031 0.000 2.483 978 A HA 0.161 4.481 4.320 -0.001 0.000 0.238 978 A C 0.208 177.672 177.584 -0.201 0.000 1.070 978 A CA -0.146 51.717 52.037 -0.290 0.000 0.770 978 A CB 0.084 18.953 19.000 -0.218 0.000 1.008 978 A HN 0.875 nan 8.150 nan 0.000 0.497 979 E N 0.478 120.548 120.200 -0.215 0.000 2.264 979 E HA 0.291 4.640 4.350 -0.001 0.000 0.260 979 E C -0.715 175.841 176.600 -0.073 0.000 0.961 979 E CA -0.812 55.541 56.400 -0.079 0.000 0.834 979 E CB 1.090 30.817 29.700 0.046 0.000 1.230 979 E HN 0.757 nan 8.360 nan 0.000 0.412 980 E N 0.698 120.868 120.200 -0.050 0.000 2.465 980 E HA 0.193 4.542 4.350 -0.001 0.000 0.260 980 E C 0.379 176.885 176.600 -0.156 0.000 0.980 980 E CA 0.668 57.019 56.400 -0.082 0.000 0.927 980 E CB 0.431 30.090 29.700 -0.069 0.000 0.934 980 E HN 0.720 nan 8.360 nan 0.000 0.459 981 G N 3.022 111.748 108.800 -0.122 0.000 2.645 981 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.239 981 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.239 981 G C -0.508 174.311 174.900 -0.135 0.000 1.331 981 G CA -0.290 44.732 45.100 -0.129 0.000 0.890 981 G HN 0.528 nan 8.290 nan 0.000 0.572 982 T N 0.278 114.766 114.554 -0.112 0.000 2.840 982 T HA 0.491 4.840 4.350 -0.001 0.000 0.287 982 T C -0.533 174.074 174.700 -0.156 0.000 0.991 982 T CA -0.160 61.897 62.100 -0.073 0.000 0.964 982 T CB 1.240 70.177 68.868 0.115 0.000 0.954 982 T HN 0.558 nan 8.240 nan 0.000 0.438 983 W N 3.168 124.391 121.300 -0.127 0.000 2.304 983 W HA 0.515 5.175 4.660 -0.001 0.000 0.313 983 W C -0.096 176.306 176.519 -0.195 0.000 1.323 983 W CA -0.669 56.594 57.345 -0.136 0.000 1.223 983 W CB 0.535 29.920 29.460 -0.126 0.000 1.237 983 W HN 0.374 nan 8.180 nan 0.000 0.535 984 L N 5.801 127.048 121.223 0.040 0.000 2.313 984 L HA 0.464 4.803 4.340 -0.001 0.000 0.283 984 L C -0.858 175.917 176.870 -0.159 0.000 1.013 984 L CA -0.398 54.328 54.840 -0.190 0.000 0.816 984 L CB 0.753 42.550 42.059 -0.438 0.000 1.236 984 L HN 0.311 nan 8.230 nan 0.000 0.419 985 N N 6.807 125.396 118.700 -0.185 0.000 2.518 985 N HA 0.419 5.158 4.740 -0.001 0.000 0.254 985 N C -1.112 174.261 175.510 -0.228 0.000 0.979 985 N CA -0.169 52.773 53.050 -0.180 0.000 0.930 985 N CB 1.907 40.313 38.487 -0.136 0.000 1.152 985 N HN 0.563 nan 8.380 nan 0.000 0.505 986 I N 2.065 122.452 120.570 -0.306 0.000 2.328 986 I HA 0.185 4.354 4.170 -0.001 0.000 0.287 986 I C -0.413 175.546 176.117 -0.264 0.000 1.012 986 I CA -0.562 60.529 61.300 -0.348 0.000 1.195 986 I CB 0.980 38.599 38.000 -0.635 0.000 1.350 986 I HN 0.136 nan 8.210 nan 0.000 0.464 987 D N 4.924 125.214 120.400 -0.184 0.000 2.168 987 D HA 0.240 4.879 4.640 -0.001 0.000 0.246 987 D C 0.929 177.006 176.300 -0.371 0.000 1.050 987 D CA -0.209 53.631 54.000 -0.266 0.000 0.857 987 D CB 2.435 43.167 40.800 -0.113 0.000 1.169 987 D HN 0.672 nan 8.370 nan 0.000 0.453 988 G N 0.944 109.278 108.800 -0.777 0.000 2.539 988 G HA2 0.070 4.030 3.960 -0.001 0.000 0.215 988 G HA3 0.070 4.030 3.960 -0.001 0.000 0.215 988 G C 0.023 174.169 174.900 -1.257 0.000 1.141 988 G CA 0.281 44.765 45.100 -1.026 0.000 0.806 988 G HN 0.362 nan 8.290 nan 0.000 0.533 989 F N -1.619 118.170 119.950 -0.268 0.000 2.615 989 F HA 0.517 5.043 4.527 -0.001 0.000 0.312 989 F C -0.761 174.960 175.800 -0.133 0.000 1.119 989 F CA -1.260 56.661 58.000 -0.131 0.000 0.979 989 F CB 1.852 40.748 39.000 -0.174 0.000 1.266 989 F HN 0.001 nan 8.300 nan 0.000 0.444 990 H N 2.489 121.575 119.070 0.027 0.000 2.667 990 H HA 0.540 5.095 4.556 -0.001 0.000 0.353 990 H C -0.609 174.757 175.328 0.064 0.000 1.072 990 H CA -0.811 55.234 56.048 -0.005 0.000 1.214 990 H CB 1.722 31.470 29.762 -0.024 0.000 1.600 990 H HN 0.782 nan 8.280 nan 0.000 0.527 991 M N 3.444 122.995 119.600 -0.082 0.000 2.250 991 M HA 0.226 4.706 4.480 -0.001 0.000 0.325 991 M C 0.479 176.897 176.300 0.196 0.000 1.084 991 M CA 0.353 55.672 55.300 0.032 0.000 1.161 991 M CB 0.289 32.814 32.600 -0.125 0.000 1.481 991 M HN 0.859 nan 8.290 nan 0.000 0.449 992 G N 2.860 111.762 108.800 0.169 0.000 2.636 992 G HA2 0.304 4.264 3.960 -0.001 0.000 0.246 992 G HA3 0.304 4.264 3.960 -0.001 0.000 0.246 992 G C 0.643 175.532 174.900 -0.018 0.000 1.216 992 G CA -0.454 44.692 45.100 0.077 0.000 0.854 992 G HN 0.973 nan 8.290 nan 0.000 0.572 993 I N -1.061 119.447 120.570 -0.102 0.000 3.030 993 I HA 0.375 4.544 4.170 -0.001 0.000 0.270 993 I C 1.282 177.326 176.117 -0.123 0.000 1.211 993 I CA 0.472 61.669 61.300 -0.172 0.000 1.479 993 I CB -0.654 37.140 38.000 -0.343 0.000 1.105 993 I HN 0.918 nan 8.210 nan 0.000 0.447 994 G N 1.312 110.049 108.800 -0.105 0.000 2.697 994 G HA2 0.047 4.006 3.960 -0.001 0.000 0.240 994 G HA3 0.047 4.006 3.960 -0.001 0.000 0.240 994 G C 0.498 175.378 174.900 -0.034 0.000 1.346 994 G CA 0.041 45.113 45.100 -0.047 0.000 0.887 994 G HN 1.378 nan 8.290 nan 0.000 0.569 995 G N -2.238 106.561 108.800 -0.001 0.000 2.834 995 G HA2 0.044 4.003 3.960 -0.001 0.000 0.217 995 G HA3 0.044 4.003 3.960 -0.001 0.000 0.217 995 G C 0.574 175.514 174.900 0.066 0.000 0.974 995 G CA 1.080 46.187 45.100 0.012 0.000 0.826 995 G HN 0.856 nan 8.290 nan 0.000 0.584 996 D N 1.177 121.631 120.400 0.089 0.000 2.265 996 D HA 0.067 4.707 4.640 -0.001 0.000 0.208 996 D C 0.764 177.097 176.300 0.056 0.000 0.977 996 D CA 2.093 56.207 54.000 0.190 0.000 0.871 996 D CB 0.251 41.165 40.800 0.190 0.000 0.925 996 D HN 0.800 nan 8.370 nan 0.000 0.485 997 D N -3.535 116.697 120.400 -0.280 0.000 2.728 997 D HA 0.126 4.765 4.640 -0.001 0.000 0.249 997 D C -0.956 174.792 176.300 -0.921 0.000 1.225 997 D CA -0.669 52.723 54.000 -1.014 0.000 0.748 997 D CB 0.637 40.501 40.800 -1.560 0.000 1.326 997 D HN -0.323 nan 8.370 nan 0.000 0.426 998 S N 0.366 115.377 115.700 -1.148 0.000 2.537 998 S HA 0.263 4.732 4.470 -0.001 0.000 0.246 998 S C -0.480 174.157 174.600 0.062 0.000 1.036 998 S CA -0.631 57.389 58.200 -0.301 0.000 1.041 998 S CB -0.638 62.586 63.200 0.040 0.000 0.799 998 S HN 0.585 nan 8.310 nan 0.000 0.456 999 W N 0.974 122.226 121.300 -0.081 0.000 2.252 999 W HA 0.581 5.241 4.660 -0.001 0.000 0.338 999 W C -0.061 176.415 176.519 -0.071 0.000 0.914 999 W CA -0.633 56.667 57.345 -0.075 0.000 1.754 999 W CB -0.549 28.794 29.460 -0.196 0.000 1.135 999 W HN 0.185 nan 8.180 nan 0.000 0.531 1000 S N -1.414 114.212 115.700 -0.124 0.000 2.558 1000 S HA 0.469 4.938 4.470 -0.001 0.000 0.277 1000 S C -3.181 171.366 174.600 -0.090 0.000 1.143 1000 S CA -1.358 56.793 58.200 -0.082 0.000 0.865 1000 S CB 1.275 64.446 63.200 -0.048 0.000 1.102 1000 S HN -0.202 nan 8.310 nan 0.000 0.454 1001 P HA 0.093 nan 4.420 nan 0.000 0.257 1001 P C 0.370 177.703 177.300 0.055 0.000 1.162 1001 P CA 0.359 63.457 63.100 -0.004 0.000 0.762 1001 P CB 0.334 31.912 31.700 -0.203 0.000 0.753 1002 S N 0.849 116.622 115.700 0.122 0.000 2.846 1002 S HA 0.183 4.652 4.470 -0.001 0.000 0.249 1002 S C 0.108 174.779 174.600 0.117 0.000 1.028 1002 S CA -0.403 57.838 58.200 0.069 0.000 1.043 1002 S CB -0.215 62.969 63.200 -0.027 0.000 0.990 1002 S HN 0.116 nan 8.310 nan 0.000 0.564 1003 V N 2.612 122.652 119.914 0.210 0.000 2.406 1003 V HA 0.425 4.545 4.120 -0.001 0.000 0.272 1003 V C 0.708 176.939 176.094 0.228 0.000 1.043 1003 V CA -0.423 61.980 62.300 0.172 0.000 0.915 1003 V CB 1.153 33.036 31.823 0.100 0.000 0.988 1003 V HN 0.526 nan 8.190 nan 0.000 0.466 1004 S N 4.066 119.898 115.700 0.220 0.000 2.558 1004 S HA 0.224 4.693 4.470 -0.001 0.000 0.288 1004 S C 1.567 176.328 174.600 0.268 0.000 1.318 1004 S CA 0.160 58.509 58.200 0.249 0.000 1.056 1004 S CB 1.020 64.410 63.200 0.318 0.000 0.853 1004 S HN 1.000 nan 8.310 nan 0.000 0.505 1005 A N 4.150 127.080 122.820 0.182 0.000 1.903 1005 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 1005 A C 2.021 179.648 177.584 0.073 0.000 1.191 1005 A CA 1.943 54.061 52.037 0.136 0.000 0.638 1005 A CB -0.778 18.276 19.000 0.089 0.000 0.823 1005 A HN 0.986 nan 8.150 nan 0.000 0.451 1006 E N -1.040 119.165 120.200 0.009 0.000 2.463 1006 E HA -0.157 4.193 4.350 -0.001 0.000 0.201 1006 E C 0.457 176.859 176.600 -0.330 0.000 1.045 1006 E CA 0.855 57.148 56.400 -0.177 0.000 0.872 1006 E CB -0.397 29.128 29.700 -0.291 0.000 0.797 1006 E HN 0.638 nan 8.360 nan 0.000 0.538 1007 F N 0.996 120.986 119.950 0.066 0.000 2.668 1007 F HA 0.308 4.834 4.527 -0.001 0.000 0.301 1007 F C 0.486 176.313 175.800 0.045 0.000 1.106 1007 F CA -0.365 57.678 58.000 0.071 0.000 1.289 1007 F CB 0.608 39.652 39.000 0.073 0.000 1.006 1007 F HN -0.174 nan 8.300 nan 0.000 0.535 1008 Q N 1.206 121.089 119.800 0.138 0.000 2.325 1008 Q HA 0.401 4.740 4.340 -0.001 0.000 0.262 1008 Q C -0.222 175.779 176.000 0.002 0.000 0.968 1008 Q CA -0.526 55.318 55.803 0.068 0.000 0.877 1008 Q CB 1.902 30.708 28.738 0.112 0.000 1.253 1008 Q HN 0.235 nan 8.270 nan 0.000 0.448 1009 L N 2.790 124.027 121.223 0.022 0.000 2.505 1009 L HA -0.020 4.319 4.340 -0.001 0.000 0.275 1009 L C 0.834 177.742 176.870 0.063 0.000 1.264 1009 L CA 0.187 55.041 54.840 0.023 0.000 1.148 1009 L CB -0.631 41.309 42.059 -0.199 0.000 1.377 1009 L HN 0.710 nan 8.230 nan 0.000 0.442 1010 S N -0.667 115.029 115.700 -0.006 0.000 2.603 1010 S HA 0.131 4.601 4.470 -0.001 0.000 0.232 1010 S C 1.797 176.433 174.600 0.060 0.000 1.016 1010 S CA 0.191 58.292 58.200 -0.165 0.000 0.976 1010 S CB 0.653 63.462 63.200 -0.651 0.000 0.921 1010 S HN 0.520 nan 8.310 nan 0.000 0.516 1011 A N 1.797 124.650 122.820 0.055 0.000 2.093 1011 A HA 0.300 4.620 4.320 -0.001 0.000 0.222 1011 A C 2.204 179.708 177.584 -0.132 0.000 1.162 1011 A CA 1.876 53.782 52.037 -0.218 0.000 0.655 1011 A CB -1.467 17.077 19.000 -0.761 0.000 0.805 1011 A HN 1.605 nan 8.150 nan 0.000 0.461 1012 G N -1.684 107.177 108.800 0.101 0.000 2.900 1012 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.223 1012 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.223 1012 G C 0.483 175.451 174.900 0.114 0.000 1.293 1012 G CA 0.443 45.617 45.100 0.123 0.000 0.792 1012 G HN 0.710 nan 8.290 nan 0.000 0.527 1013 R N -0.018 120.441 120.500 -0.067 0.000 2.439 1013 R HA 0.656 4.995 4.340 -0.001 0.000 0.310 1013 R C -1.361 174.789 176.300 -0.250 0.000 0.955 1013 R CA -0.527 55.556 56.100 -0.029 0.000 0.853 1013 R CB 1.226 31.509 30.300 -0.028 0.000 1.171 1013 R HN 0.277 nan 8.270 nan 0.000 0.449 1014 Y N 0.343 120.622 120.300 -0.035 0.000 2.562 1014 Y HA 0.405 4.955 4.550 -0.001 0.000 0.343 1014 Y C -0.256 175.764 175.900 0.200 0.000 1.025 1014 Y CA -0.805 57.213 58.100 -0.137 0.000 1.082 1014 Y CB 2.031 40.210 38.460 -0.469 0.000 1.264 1014 Y HN 0.556 nan 8.280 nan 0.000 0.478 1015 H N 1.668 120.979 119.070 0.403 0.000 3.042 1015 H HA 0.517 5.072 4.556 -0.001 0.000 0.345 1015 H C -1.994 173.730 175.328 0.660 0.000 1.052 1015 H CA -0.790 55.521 56.048 0.438 0.000 1.311 1015 H CB 0.896 30.791 29.762 0.221 0.000 1.810 1015 H HN 0.522 nan 8.280 nan 0.000 0.505 1016 Y N 1.924 122.167 120.300 -0.094 0.000 2.562 1016 Y HA 0.488 5.038 4.550 -0.001 0.000 0.345 1016 Y C -1.743 174.025 175.900 -0.219 0.000 1.045 1016 Y CA -1.231 56.838 58.100 -0.052 0.000 1.028 1016 Y CB 1.432 39.921 38.460 0.048 0.000 1.297 1016 Y HN 0.686 nan 8.280 nan 0.000 0.463 1017 Q N 3.200 122.986 119.800 -0.022 0.000 2.323 1017 Q HA 0.769 5.109 4.340 -0.001 0.000 0.271 1017 Q C -1.861 174.198 176.000 0.098 0.000 1.048 1017 Q CA -0.938 54.831 55.803 -0.057 0.000 0.792 1017 Q CB 3.111 31.849 28.738 -0.000 0.000 1.280 1017 Q HN 0.837 nan 8.270 nan 0.000 0.441 1018 L N 1.472 122.737 121.223 0.070 0.000 2.341 1018 L HA 0.718 5.057 4.340 -0.001 0.000 0.267 1018 L C -0.886 176.082 176.870 0.164 0.000 1.009 1018 L CA -1.339 53.586 54.840 0.141 0.000 0.819 1018 L CB 2.572 44.694 42.059 0.104 0.000 1.323 1018 L HN 0.456 nan 8.230 nan 0.000 0.425 1019 V N 1.198 121.238 119.914 0.210 0.000 2.380 1019 V HA 0.305 4.425 4.120 -0.001 0.000 0.286 1019 V C -1.060 175.197 176.094 0.272 0.000 1.015 1019 V CA -0.451 61.981 62.300 0.220 0.000 0.834 1019 V CB 1.755 33.685 31.823 0.177 0.000 1.009 1019 V HN 0.555 nan 8.190 nan 0.000 0.428 1020 W N 6.721 128.089 121.300 0.113 0.000 2.417 1020 W HA 0.720 5.380 4.660 -0.001 0.000 0.317 1020 W C -0.057 176.482 176.519 0.034 0.000 1.121 1020 W CA -0.854 56.503 57.345 0.019 0.000 1.208 1020 W CB 1.514 31.046 29.460 0.121 0.000 1.253 1020 W HN 0.856 nan 8.180 nan 0.000 0.533 1021 C N 3.166 122.752 119.300 0.477 0.000 3.249 1021 C HA 0.492 4.952 4.460 -0.001 0.000 0.350 1021 C C -0.920 174.173 174.990 0.173 0.000 1.431 1021 C CA -0.947 58.241 59.018 0.284 0.000 1.209 1021 C CB 1.412 29.263 27.740 0.185 0.000 1.546 1021 C HN 0.715 nan 8.230 nan 0.000 0.450 1022 Q N 1.713 121.568 119.800 0.090 0.000 2.314 1022 Q HA 0.500 4.840 4.340 -0.001 0.000 0.259 1022 Q C 0.088 176.084 176.000 -0.007 0.000 0.951 1022 Q CA -0.287 55.514 55.803 -0.003 0.000 0.909 1022 Q CB 1.090 29.807 28.738 -0.036 0.000 1.236 1022 Q HN 0.788 nan 8.270 nan 0.000 0.444 1023 K N 0.000 120.379 120.400 -0.035 0.000 2.780 1023 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1023 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 1023 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543