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 3l4z_1_A DATA FIRST_RESID 7 DATA SEQUENCE VNELERINcI PDQPPTKATC DQRGcCWNPQ GAVSVPWCYY SKNHSYHVEG DATA SEQUENCE NLVNTNAGFT ARLKNLPSSP VFGSNVDNVL LTAEYQTSNR FHFKLTDQTN DATA SEQUENCE NRFEVPHEHV QSFSGNAAAS LTYQVEISRQ PFSIKVTRRS NNRVLFDSSI DATA SEQUENCE GPLLFADQFL QLSTRLPSTN VYGLGEHVHQ QYRHDMNWKT WPIFNRDTTP DATA SEQUENCE NGNGTNLYGA QTFFLCLEDA SGLSFGVFLM NSNAMEVVLQ PAPAITYRTI DATA SEQUENCE GGILDFYVFL GNTPEQVVQE YLELIGRPAL PSYWALGFHL SRYEYGTLDN DATA SEQUENCE MREVVERNRA AQLPYDVQHA DIDYMDERRD FTYDSVDFKG FPEFVNELHN DATA SEQUENCE NGQKLVIIVD PAISNNSSSS KPYGPYDRGS DMKIWVNSSD GVTPLIGEVW DATA SEQUENCE PGQTVFPDYT NPNCAVWWTK EFELFHNQVE FDGIWIDMNE VSNFVDGSVS DATA SEQUENCE GCSTNNLNNP PFTPRILDGY LFCKTLCMDA VQHWGKQYDI HNLYGYSMAV DATA SEQUENCE ATAEAAKTVF PNKRSFILTR STFAGSGKFA AHWLGDNTAT WDDLRWSIPG DATA SEQUENCE VLEFNLFGIP MVGPDIcGFA LDTPEELcRR WMQLGAFYPF SRNHNGQGYK DATA SEQUENCE DQDPASFGAD SLLLNSSRHY LNIRYTLLPY LYTLFFRAHS RGDTVARPLL DATA SEQUENCE HEFYEDNSTW DVHQQFLWGP GLLITPVLDE GAEKVMAYVP DAVWYDYETG DATA SEQUENCE SQVRWRKQKV EMELPGDKIG LHLRGGYIFP TQQPNTTTLA SRKNPLGLII DATA SEQUENCE ALDENKEAKG ELFWDDGETK DTVANKVYLL CEFSVTQNRL EVNISQSTYK DATA SEQUENCE DPNNLAFNEI KILGTEEPSN VTVKHNGVPS XTSPTVTYDS NLKVAIITDI DATA SEQUENCE DLLLGEAYTV EWAH 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.056 176.094 -0.063 0.000 1.182 7 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 7 V CB 0.000 31.775 31.823 -0.080 0.000 1.184 8 N N 3.684 122.353 118.700 -0.051 0.000 2.454 8 N HA 0.051 4.791 4.740 -0.000 0.000 0.260 8 N C 1.191 176.661 175.510 -0.066 0.000 1.218 8 N CA 0.494 53.516 53.050 -0.046 0.000 0.904 8 N CB 1.274 39.741 38.487 -0.033 0.000 1.065 8 N HN 0.997 nan 8.380 nan 0.000 0.462 9 E N 4.084 124.255 120.200 -0.047 0.000 2.268 9 E HA -0.147 4.202 4.350 -0.000 0.000 0.195 9 E C 1.304 177.961 176.600 0.095 0.000 0.995 9 E CA 0.756 57.127 56.400 -0.049 0.000 0.836 9 E CB -0.183 29.495 29.700 -0.037 0.000 0.763 9 E HN 0.676 nan 8.360 nan 0.000 0.491 10 L N 0.707 121.990 121.223 0.099 0.000 2.465 10 L HA -0.019 4.321 4.340 -0.000 0.000 0.224 10 L C 1.727 178.586 176.870 -0.019 0.000 1.145 10 L CA 0.882 55.781 54.840 0.098 0.000 0.834 10 L CB -0.238 41.805 42.059 -0.026 0.000 0.944 10 L HN 0.142 nan 8.230 nan 0.000 0.451 11 E N -0.090 120.102 120.200 -0.012 0.000 2.474 11 E HA 0.091 4.441 4.350 -0.000 0.000 0.195 11 E C 0.221 176.827 176.600 0.009 0.000 1.039 11 E CA -0.249 56.132 56.400 -0.032 0.000 0.881 11 E CB 0.454 30.128 29.700 -0.044 0.000 0.970 11 E HN 0.393 nan 8.360 nan 0.000 0.486 12 R N 1.397 121.908 120.500 0.018 0.000 2.489 12 R HA 0.139 4.478 4.340 -0.000 0.000 0.287 12 R C -0.135 176.286 176.300 0.202 0.000 1.053 12 R CA 0.081 56.166 56.100 -0.026 0.000 1.036 12 R CB 0.727 30.862 30.300 -0.275 0.000 0.966 12 R HN -0.029 nan 8.270 nan 0.000 0.432 13 I N 3.085 123.821 120.570 0.277 0.000 2.321 13 I HA 0.057 4.227 4.170 -0.000 0.000 0.291 13 I C 0.289 176.639 176.117 0.389 0.000 0.998 13 I CA -1.058 60.452 61.300 0.349 0.000 1.227 13 I CB 0.809 39.042 38.000 0.388 0.000 1.368 13 I HN 0.512 nan 8.210 nan 0.000 0.466 14 N N 4.754 123.633 118.700 0.299 0.000 2.440 14 N HA -0.065 4.674 4.740 -0.000 0.000 0.265 14 N C 0.749 176.313 175.510 0.089 0.000 1.239 14 N CA 0.258 53.416 53.050 0.179 0.000 0.909 14 N CB 0.632 39.207 38.487 0.147 0.000 1.066 14 N HN 0.754 nan 8.380 nan 0.000 0.474 15 c N 4.682 123.176 118.600 -0.176 0.000 2.799 15 c HA 0.427 4.996 4.570 -0.000 0.000 0.267 15 c C 0.494 174.497 174.090 -0.145 0.000 1.257 15 c CA -0.355 55.649 56.329 -0.542 0.000 1.702 15 c CB -1.167 40.833 42.510 -0.850 0.000 1.934 15 c HN 0.708 nan 8.230 nan 0.000 0.594 16 I N 2.448 123.013 120.570 -0.007 0.000 2.750 16 I HA 0.272 4.442 4.170 -0.000 0.000 0.279 16 I C -1.710 174.476 176.117 0.115 0.000 1.206 16 I CA -1.168 60.172 61.300 0.066 0.000 1.101 16 I CB 1.092 39.131 38.000 0.064 0.000 1.431 16 I HN 0.078 nan 8.210 nan 0.000 0.551 17 P HA -0.057 nan 4.420 nan 0.000 0.236 17 P C 0.480 177.965 177.300 0.308 0.000 1.177 17 P CA 0.983 64.215 63.100 0.220 0.000 0.773 17 P CB 0.271 32.112 31.700 0.235 0.000 0.878 18 D N -0.668 119.938 120.400 0.342 0.000 2.355 18 D HA -0.019 4.621 4.640 -0.000 0.000 0.206 18 D C 0.956 177.348 176.300 0.153 0.000 1.010 18 D CA 0.487 54.699 54.000 0.353 0.000 0.875 18 D CB 0.108 41.231 40.800 0.538 0.000 0.966 18 D HN 0.366 nan 8.370 nan 0.000 0.512 19 Q N -0.089 119.777 119.800 0.110 0.000 2.590 19 Q HA 0.452 4.791 4.340 -0.000 0.000 0.295 19 Q C -3.118 172.889 176.000 0.011 0.000 0.973 19 Q CA -1.738 54.093 55.803 0.046 0.000 0.768 19 Q CB 1.543 30.313 28.738 0.052 0.000 1.479 19 Q HN -0.254 nan 8.270 nan 0.000 0.419 20 P HA 0.141 nan 4.420 nan 0.000 0.266 20 P C -2.388 174.917 177.300 0.008 0.000 1.195 20 P CA -0.627 62.442 63.100 -0.052 0.000 0.768 20 P CB -0.297 31.369 31.700 -0.057 0.000 0.838 21 P HA 0.110 nan 4.420 nan 0.000 0.276 21 P C -0.377 177.163 177.300 0.401 0.000 1.235 21 P CA 0.252 63.486 63.100 0.223 0.000 0.772 21 P CB 0.522 32.370 31.700 0.247 0.000 0.871 22 T N -1.275 113.440 114.554 0.269 0.000 2.903 22 T HA 0.334 4.684 4.350 -0.000 0.000 0.299 22 T C 0.916 175.302 174.700 -0.523 0.000 1.093 22 T CA -0.896 61.211 62.100 0.012 0.000 1.002 22 T CB 2.294 71.137 68.868 -0.041 0.000 1.127 22 T HN 0.260 nan 8.240 nan 0.000 0.488 23 K N 0.698 120.393 120.400 -1.175 0.000 2.097 23 K HA 0.006 4.325 4.320 -0.000 0.000 0.206 23 K C 2.397 178.630 176.600 -0.612 0.000 1.049 23 K CA 1.416 56.860 56.287 -1.405 0.000 0.933 23 K CB -0.725 30.903 32.500 -1.453 0.000 0.717 23 K HN 0.720 nan 8.250 nan 0.000 0.442 24 A N 0.537 123.120 122.820 -0.395 0.000 1.883 24 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 24 A C 2.168 179.638 177.584 -0.190 0.000 1.186 24 A CA 2.358 54.252 52.037 -0.238 0.000 0.624 24 A CB -1.174 17.726 19.000 -0.166 0.000 0.822 24 A HN 0.451 nan 8.150 nan 0.000 0.444 25 T N -0.867 113.589 114.554 -0.165 0.000 2.708 25 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 25 T C 1.974 176.607 174.700 -0.112 0.000 1.037 25 T CA 1.348 63.378 62.100 -0.116 0.000 1.146 25 T CB -1.133 67.692 68.868 -0.071 0.000 0.865 25 T HN 0.643 nan 8.240 nan 0.000 0.435 26 C N 2.202 121.437 119.300 -0.108 0.000 2.367 26 C HA -0.215 4.245 4.460 -0.000 0.000 0.276 26 C C 2.443 177.379 174.990 -0.090 0.000 1.195 26 C CA 1.649 60.634 59.018 -0.055 0.000 1.756 26 C CB -1.308 26.457 27.740 0.041 0.000 2.046 26 C HN 0.520 nan 8.230 nan 0.000 0.453 27 D N -0.508 119.809 120.400 -0.138 0.000 2.123 27 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 27 D C 2.159 178.403 176.300 -0.094 0.000 0.992 27 D CA 1.703 55.636 54.000 -0.112 0.000 0.833 27 D CB -0.781 39.936 40.800 -0.139 0.000 0.954 27 D HN 0.782 nan 8.370 nan 0.000 0.455 28 Q N 0.237 119.974 119.800 -0.106 0.000 2.226 28 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 28 Q C 1.552 177.493 176.000 -0.100 0.000 0.975 28 Q CA 1.012 56.756 55.803 -0.099 0.000 0.866 28 Q CB 0.184 28.858 28.738 -0.106 0.000 0.915 28 Q HN 0.177 nan 8.270 nan 0.000 0.440 29 R N -1.401 119.040 120.500 -0.099 0.000 2.334 29 R HA 0.150 4.490 4.340 -0.000 0.000 0.216 29 R C 0.763 177.028 176.300 -0.058 0.000 0.905 29 R CA 0.509 56.552 56.100 -0.094 0.000 1.064 29 R CB 0.735 30.966 30.300 -0.114 0.000 1.046 29 R HN 0.398 nan 8.270 nan 0.000 0.508 30 G N 0.846 109.616 108.800 -0.049 0.000 2.137 30 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.237 30 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.237 30 G C 0.257 175.190 174.900 0.056 0.000 1.002 30 G CA 0.041 45.138 45.100 -0.005 0.000 0.702 30 G HN 0.335 nan 8.290 nan 0.000 0.515 31 c N -0.756 117.834 118.600 -0.016 0.000 2.464 31 c HA 0.775 5.345 4.570 -0.000 0.000 0.398 31 c C 1.347 175.365 174.090 -0.120 0.000 1.451 31 c CA -0.345 55.941 56.329 -0.072 0.000 1.986 31 c CB 1.158 43.566 42.510 -0.169 0.000 2.004 31 c HN 0.671 nan 8.230 nan 0.000 0.530 32 C N 1.207 120.308 119.300 -0.331 0.000 2.376 32 C HA 0.553 5.013 4.460 -0.000 0.000 0.335 32 C C -0.407 174.360 174.990 -0.372 0.000 1.229 32 C CA -0.634 58.105 59.018 -0.464 0.000 1.867 32 C CB 0.152 27.312 27.740 -0.966 0.000 2.319 32 C HN 0.858 nan 8.230 nan 0.000 0.515 33 W N 4.769 125.892 121.300 -0.294 0.000 2.532 33 W HA 0.453 5.113 4.660 -0.000 0.000 0.321 33 W C -0.762 175.720 176.519 -0.062 0.000 1.037 33 W CA -0.173 57.089 57.345 -0.138 0.000 1.220 33 W CB 1.128 30.530 29.460 -0.096 0.000 1.361 33 W HN 0.730 nan 8.180 nan 0.000 0.468 34 N N 7.473 125.788 118.700 -0.643 0.000 3.153 34 N HA 0.127 4.867 4.740 -0.000 0.000 0.208 34 N C -2.492 172.551 175.510 -0.777 0.000 1.462 34 N CA -0.911 51.849 53.050 -0.482 0.000 0.754 34 N CB 1.298 39.769 38.487 -0.027 0.000 1.558 34 N HN 0.059 nan 8.380 nan 0.000 0.605 35 P HA 0.014 nan 4.420 nan 0.000 0.239 35 P C -0.130 176.469 177.300 -1.168 0.000 1.184 35 P CA 0.891 62.861 63.100 -1.882 0.000 0.760 35 P CB 0.155 30.710 31.700 -1.909 0.000 0.884 36 Q N 0.326 119.762 119.800 -0.606 0.000 3.207 36 Q HA 0.368 4.708 4.340 -0.000 0.000 0.335 36 Q C 0.741 176.625 176.000 -0.192 0.000 1.374 36 Q CA -0.388 55.213 55.803 -0.336 0.000 1.023 36 Q CB 0.195 28.793 28.738 -0.235 0.000 1.576 36 Q HN 0.134 nan 8.270 nan 0.000 0.515 37 G N -0.086 108.631 108.800 -0.138 0.000 3.016 37 G HA2 0.739 4.698 3.960 -0.000 0.000 0.270 37 G HA3 0.739 4.698 3.960 -0.000 0.000 0.270 37 G C -0.887 174.016 174.900 0.005 0.000 1.352 37 G CA -0.484 44.592 45.100 -0.040 0.000 1.060 37 G HN 0.419 nan 8.290 nan 0.000 0.538 38 A N -1.193 121.621 122.820 -0.009 0.000 2.257 38 A HA 0.652 4.971 4.320 -0.000 0.000 0.290 38 A C 0.465 178.008 177.584 -0.067 0.000 1.201 38 A CA -0.337 51.693 52.037 -0.011 0.000 0.863 38 A CB 0.642 19.647 19.000 0.010 0.000 1.256 38 A HN 1.568 nan 8.150 nan 0.000 0.506 39 V N 0.745 120.615 119.914 -0.075 0.000 2.617 39 V HA 0.298 4.418 4.120 -0.000 0.000 0.304 39 V C 0.859 176.755 176.094 -0.331 0.000 1.040 39 V CA 1.847 64.059 62.300 -0.146 0.000 1.149 39 V CB 0.014 31.785 31.823 -0.087 0.000 0.914 39 V HN 1.531 nan 8.190 nan 0.000 0.487 40 S N 1.835 117.265 115.700 -0.449 0.000 2.361 40 S HA -0.182 4.288 4.470 -0.000 0.000 0.247 40 S C 0.305 174.161 174.600 -1.239 0.000 1.218 40 S CA 0.916 58.685 58.200 -0.718 0.000 1.502 40 S CB -1.704 61.117 63.200 -0.632 0.000 1.893 40 S HN 1.072 nan 8.310 nan 0.000 0.610 41 V N 4.520 123.784 119.914 -1.083 0.000 2.557 41 V HA 0.136 4.256 4.120 -0.000 0.000 0.301 41 V C -1.891 173.879 176.094 -0.540 0.000 1.026 41 V CA -0.515 61.218 62.300 -0.944 0.000 1.137 41 V CB 0.000 31.632 31.823 -0.319 0.000 0.917 41 V HN 0.154 nan 8.190 nan 0.000 0.484 42 P HA 0.053 nan 4.420 nan 0.000 0.271 42 P C -0.141 177.228 177.300 0.115 0.000 1.226 42 P CA -0.108 62.909 63.100 -0.138 0.000 0.765 42 P CB 0.399 32.100 31.700 0.002 0.000 0.835 43 W N 2.251 123.429 121.300 -0.203 0.000 2.436 43 W HA 0.040 4.699 4.660 -0.001 0.000 0.284 43 W C 0.795 177.148 176.519 -0.277 0.000 1.225 43 W CA 0.001 57.121 57.345 -0.376 0.000 1.271 43 W CB -0.608 28.503 29.460 -0.581 0.000 1.114 43 W HN 0.248 nan 8.180 nan 0.000 0.559 44 C N 1.643 121.063 119.300 0.200 0.000 2.298 44 C HA 0.646 5.105 4.460 -0.000 0.000 0.323 44 C C -0.604 174.458 174.990 0.120 0.000 1.284 44 C CA -0.761 58.365 59.018 0.181 0.000 1.577 44 C CB -1.337 26.564 27.740 0.269 0.000 2.249 44 C HN 0.220 nan 8.230 nan 0.000 0.497 45 Y N 2.993 123.284 120.300 -0.014 0.000 2.588 45 Y HA 0.680 5.229 4.550 -0.000 0.000 0.343 45 Y C -1.259 174.610 175.900 -0.051 0.000 1.065 45 Y CA -1.571 56.501 58.100 -0.047 0.000 1.038 45 Y CB 0.236 38.727 38.460 0.052 0.000 1.297 45 Y HN 0.580 nan 8.280 nan 0.000 0.467 46 Y N 1.840 122.294 120.300 0.258 0.000 2.497 46 Y HA 0.294 4.844 4.550 -0.000 0.000 0.334 46 Y C 1.072 177.078 175.900 0.177 0.000 1.199 46 Y CA 0.403 58.609 58.100 0.178 0.000 1.425 46 Y CB 0.767 39.344 38.460 0.195 0.000 1.291 46 Y HN 0.760 nan 8.280 nan 0.000 0.562 47 S N 1.870 117.736 115.700 0.277 0.000 2.603 47 S HA 0.208 4.677 4.470 -0.000 0.000 0.268 47 S C 0.976 175.671 174.600 0.157 0.000 1.317 47 S CA -0.900 57.397 58.200 0.162 0.000 1.012 47 S CB 1.232 64.479 63.200 0.079 0.000 0.926 47 S HN 0.754 nan 8.310 nan 0.000 0.539 48 K N 0.722 121.180 120.400 0.097 0.000 2.127 48 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 48 K C 0.361 176.982 176.600 0.035 0.000 1.047 48 K CA 1.441 57.769 56.287 0.068 0.000 0.927 48 K CB -0.158 32.364 32.500 0.037 0.000 0.716 48 K HN 0.567 nan 8.250 nan 0.000 0.450 49 N N 0.193 118.865 118.700 -0.046 0.000 2.609 49 N HA 0.146 4.886 4.740 -0.000 0.000 0.268 49 N C -1.950 173.458 175.510 -0.169 0.000 1.106 49 N CA -0.219 52.794 53.050 -0.062 0.000 0.823 49 N CB 0.588 39.027 38.487 -0.079 0.000 1.263 49 N HN 0.162 nan 8.380 nan 0.000 0.533 50 H N 0.433 119.564 119.070 0.102 0.000 3.810 50 H HA 0.149 4.705 4.556 -0.000 0.000 0.514 50 H C -0.446 174.940 175.328 0.096 0.000 1.749 50 H CA -0.261 55.842 56.048 0.091 0.000 1.609 50 H CB 0.477 30.297 29.762 0.097 0.000 2.648 50 H HN 0.599 nan 8.280 nan 0.000 0.679 51 S N 0.542 116.368 115.700 0.208 0.000 4.390 51 S HA 0.299 4.769 4.470 -0.000 0.000 0.188 51 S C -1.021 173.597 174.600 0.031 0.000 1.268 51 S CA -0.473 57.819 58.200 0.153 0.000 1.105 51 S CB 1.159 64.511 63.200 0.254 0.000 2.050 51 S HN 0.157 nan 8.310 nan 0.000 0.689 52 Y N 2.495 122.882 120.300 0.146 0.000 2.496 52 Y HA 0.764 5.313 4.550 -0.000 0.000 0.331 52 Y C 0.275 176.274 175.900 0.165 0.000 1.140 52 Y CA -0.059 58.084 58.100 0.071 0.000 1.166 52 Y CB 1.406 39.862 38.460 -0.007 0.000 1.249 52 Y HN 0.938 nan 8.280 nan 0.000 0.479 53 H N -2.454 116.762 119.070 0.243 0.000 2.895 53 H HA 0.683 5.239 4.556 -0.000 0.000 0.373 53 H C -1.698 173.729 175.328 0.164 0.000 1.174 53 H CA -1.345 54.823 56.048 0.200 0.000 1.144 53 H CB 0.351 30.185 29.762 0.120 0.000 1.793 53 H HN 0.345 nan 8.280 nan 0.000 0.551 54 V N 1.705 121.798 119.914 0.298 0.000 2.572 54 V HA 0.070 4.190 4.120 -0.000 0.000 0.291 54 V C 0.467 176.720 176.094 0.264 0.000 1.039 54 V CA -0.035 62.383 62.300 0.197 0.000 1.055 54 V CB 0.471 32.411 31.823 0.196 0.000 0.969 54 V HN 0.883 nan 8.190 nan 0.000 0.482 55 E N 4.396 124.678 120.200 0.136 0.000 2.115 55 E HA 0.556 4.906 4.350 -0.000 0.000 0.282 55 E C 0.439 177.096 176.600 0.094 0.000 0.987 55 E CA 0.748 57.237 56.400 0.149 0.000 0.797 55 E CB 0.762 30.512 29.700 0.082 0.000 1.086 55 E HN 1.048 nan 8.360 nan 0.000 0.397 56 G N 4.055 112.909 108.800 0.090 0.000 2.542 56 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.235 56 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.235 56 G C -0.605 174.327 174.900 0.053 0.000 1.286 56 G CA -0.253 44.882 45.100 0.058 0.000 0.904 56 G HN 0.656 nan 8.290 nan 0.000 0.577 57 N N -0.382 118.343 118.700 0.042 0.000 2.472 57 N HA 0.648 5.388 4.740 -0.000 0.000 0.289 57 N C 0.081 175.618 175.510 0.044 0.000 1.156 57 N CA -0.694 52.377 53.050 0.034 0.000 0.940 57 N CB 1.206 39.707 38.487 0.023 0.000 1.200 57 N HN 0.477 nan 8.380 nan 0.000 0.511 58 L N 0.556 121.799 121.223 0.033 0.000 2.452 58 L HA 0.204 4.544 4.340 -0.000 0.000 0.267 58 L C 0.033 176.948 176.870 0.075 0.000 1.188 58 L CA -0.003 54.874 54.840 0.061 0.000 0.821 58 L CB 0.457 42.496 42.059 -0.032 0.000 1.102 58 L HN 0.211 nan 8.230 nan 0.000 0.470 59 V N 3.284 123.276 119.914 0.131 0.000 2.378 59 V HA 0.322 4.441 4.120 -0.000 0.000 0.288 59 V C 0.101 176.297 176.094 0.170 0.000 1.016 59 V CA -1.068 61.302 62.300 0.116 0.000 0.840 59 V CB 1.256 33.134 31.823 0.091 0.000 0.994 59 V HN 0.688 nan 8.190 nan 0.000 0.431 60 N N 3.271 122.059 118.700 0.147 0.000 2.458 60 N HA 0.185 4.924 4.740 -0.000 0.000 0.258 60 N C 0.281 175.884 175.510 0.154 0.000 1.219 60 N CA 0.325 53.485 53.050 0.183 0.000 0.902 60 N CB 1.478 40.046 38.487 0.134 0.000 1.076 60 N HN 0.850 nan 8.380 nan 0.000 0.455 61 T N -1.481 113.178 114.554 0.175 0.000 2.910 61 T HA 0.285 4.634 4.350 -0.000 0.000 0.287 61 T C 0.991 175.778 174.700 0.144 0.000 1.050 61 T CA -0.837 61.340 62.100 0.128 0.000 1.011 61 T CB 1.120 70.049 68.868 0.102 0.000 1.195 61 T HN 0.374 nan 8.240 nan 0.000 0.540 62 N N 0.068 118.839 118.700 0.118 0.000 2.104 62 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 62 N C 2.010 177.643 175.510 0.205 0.000 1.024 62 N CA 1.157 54.284 53.050 0.128 0.000 0.853 62 N CB -0.216 38.319 38.487 0.081 0.000 1.008 62 N HN 0.736 nan 8.380 nan 0.000 0.424 63 A N -0.341 122.621 122.820 0.237 0.000 2.021 63 A HA 0.367 4.687 4.320 -0.000 0.000 0.216 63 A C 1.420 179.184 177.584 0.301 0.000 1.163 63 A CA 1.424 53.683 52.037 0.369 0.000 0.676 63 A CB 0.048 19.294 19.000 0.410 0.000 0.818 63 A HN 0.436 nan 8.150 nan 0.000 0.453 64 G N -1.700 107.242 108.800 0.236 0.000 2.687 64 G HA2 0.408 4.367 3.960 -0.000 0.000 0.106 64 G HA3 0.408 4.367 3.960 -0.000 0.000 0.106 64 G C -0.442 174.656 174.900 0.329 0.000 1.082 64 G CA 0.132 45.384 45.100 0.255 0.000 1.394 64 G HN 1.004 nan 8.290 nan 0.000 0.627 65 F N 0.107 120.097 119.950 0.067 0.000 2.713 65 F HA 0.814 5.340 4.527 -0.000 0.000 0.311 65 F C -0.453 175.357 175.800 0.016 0.000 1.141 65 F CA -0.377 57.659 58.000 0.060 0.000 0.939 65 F CB 1.484 40.534 39.000 0.083 0.000 1.325 65 F HN 0.684 nan 8.300 nan 0.000 0.453 66 T N -0.426 114.253 114.554 0.209 0.000 2.916 66 T HA 0.954 5.304 4.350 -0.000 0.000 0.292 66 T C -0.945 173.885 174.700 0.217 0.000 1.064 66 T CA -0.479 61.682 62.100 0.102 0.000 1.011 66 T CB 1.680 70.559 68.868 0.017 0.000 1.152 66 T HN 1.671 nan 8.240 nan 0.000 0.510 67 A N 1.287 124.183 122.820 0.127 0.000 2.515 67 A HA 0.799 5.119 4.320 -0.000 0.000 0.298 67 A C -0.697 176.885 177.584 -0.004 0.000 1.059 67 A CA -1.141 50.956 52.037 0.100 0.000 0.698 67 A CB 1.438 20.533 19.000 0.157 0.000 1.289 67 A HN 0.841 nan 8.150 nan 0.000 0.404 68 R N 0.897 121.391 120.500 -0.010 0.000 2.265 68 R HA 0.607 4.947 4.340 -0.000 0.000 0.319 68 R C -1.054 175.196 176.300 -0.082 0.000 1.006 68 R CA -0.182 55.885 56.100 -0.055 0.000 0.880 68 R CB 0.991 31.274 30.300 -0.029 0.000 1.077 68 R HN 0.622 nan 8.270 nan 0.000 0.454 69 L N 2.680 123.814 121.223 -0.149 0.000 2.334 69 L HA 0.574 4.914 4.340 -0.000 0.000 0.276 69 L C -0.261 176.568 176.870 -0.068 0.000 1.014 69 L CA -0.861 53.887 54.840 -0.155 0.000 0.815 69 L CB 1.764 43.619 42.059 -0.340 0.000 1.268 69 L HN 0.465 nan 8.230 nan 0.000 0.428 70 K N 1.700 121.999 120.400 -0.168 0.000 2.422 70 K HA 0.351 4.671 4.320 -0.000 0.000 0.251 70 K C -0.974 175.390 176.600 -0.394 0.000 0.933 70 K CA -0.741 55.398 56.287 -0.246 0.000 0.798 70 K CB 1.960 34.259 32.500 -0.336 0.000 1.238 70 K HN 0.453 nan 8.250 nan 0.000 0.428 71 N N 3.714 122.164 118.700 -0.416 0.000 2.444 71 N HA 0.158 4.898 4.740 -0.000 0.000 0.271 71 N C -0.942 174.402 175.510 -0.276 0.000 1.069 71 N CA -0.417 52.222 53.050 -0.684 0.000 0.965 71 N CB 0.512 38.606 38.487 -0.655 0.000 1.092 71 N HN 0.432 nan 8.380 nan 0.000 0.476 72 L N 5.341 126.464 121.223 -0.168 0.000 2.369 72 L HA 0.314 4.654 4.340 -0.000 0.000 0.279 72 L C -1.740 175.085 176.870 -0.076 0.000 1.108 72 L CA -1.623 53.209 54.840 -0.013 0.000 0.852 72 L CB -0.074 42.042 42.059 0.096 0.000 1.169 72 L HN 0.484 nan 8.230 nan 0.000 0.452 73 P HA 0.014 nan 4.420 nan 0.000 0.256 73 P C -0.755 176.486 177.300 -0.097 0.000 1.173 73 P CA 0.564 63.620 63.100 -0.073 0.000 0.768 73 P CB 0.350 32.022 31.700 -0.047 0.000 0.758 74 S N 1.332 116.974 115.700 -0.097 0.000 2.521 74 S HA 0.514 4.984 4.470 -0.000 0.000 0.295 74 S C -0.239 174.321 174.600 -0.067 0.000 1.098 74 S CA -0.829 57.313 58.200 -0.097 0.000 0.999 74 S CB 1.418 64.563 63.200 -0.092 0.000 1.034 74 S HN 0.433 nan 8.310 nan 0.000 0.483 75 S N 1.769 117.428 115.700 -0.068 0.000 2.586 75 S HA 0.546 5.016 4.470 -0.000 0.000 0.274 75 S C -2.778 171.786 174.600 -0.060 0.000 1.281 75 S CA -1.283 56.884 58.200 -0.055 0.000 1.035 75 S CB -0.605 62.562 63.200 -0.054 0.000 0.962 75 S HN 0.453 nan 8.310 nan 0.000 0.512 76 P HA -0.003 nan 4.420 nan 0.000 0.257 76 P C 0.104 177.343 177.300 -0.102 0.000 1.144 76 P CA 0.183 63.259 63.100 -0.041 0.000 0.761 76 P CB 0.199 31.889 31.700 -0.017 0.000 0.734 77 V N 2.424 122.242 119.914 -0.160 0.000 3.054 77 V HA 0.157 4.277 4.120 -0.000 0.000 0.227 77 V C 0.824 176.632 176.094 -0.476 0.000 1.252 77 V CA 0.635 62.703 62.300 -0.386 0.000 1.279 77 V CB -0.324 31.169 31.823 -0.549 0.000 1.118 77 V HN 0.363 nan 8.190 nan 0.000 0.504 78 F N 1.354 121.256 119.950 -0.079 0.000 2.942 78 F HA 0.663 5.190 4.527 -0.000 0.000 0.324 78 F C 0.905 176.743 175.800 0.063 0.000 1.265 78 F CA 0.274 58.254 58.000 -0.033 0.000 1.255 78 F CB 0.676 39.575 39.000 -0.169 0.000 1.048 78 F HN 0.358 nan 8.300 nan 0.000 0.512 79 G N -0.197 108.706 108.800 0.173 0.000 2.631 79 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.504 79 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.504 79 G C -0.520 174.453 174.900 0.121 0.000 1.306 79 G CA -1.195 43.990 45.100 0.143 0.000 0.897 79 G HN 0.108 nan 8.290 nan 0.000 0.520 80 S N 0.999 116.765 115.700 0.109 0.000 2.546 80 S HA 0.158 4.628 4.470 -0.000 0.000 0.290 80 S C 0.911 175.598 174.600 0.146 0.000 1.262 80 S CA 0.012 58.273 58.200 0.102 0.000 1.083 80 S CB 0.029 63.280 63.200 0.086 0.000 0.859 80 S HN 0.672 nan 8.310 nan 0.000 0.495 81 N N 2.189 120.968 118.700 0.131 0.000 2.513 81 N HA 0.194 4.933 4.740 -0.000 0.000 0.274 81 N C -0.857 174.755 175.510 0.170 0.000 1.189 81 N CA -0.259 52.896 53.050 0.175 0.000 0.975 81 N CB 0.824 39.384 38.487 0.121 0.000 1.157 81 N HN 0.251 nan 8.380 nan 0.000 0.465 82 V N 3.155 123.214 119.914 0.241 0.000 2.333 82 V HA 0.073 4.193 4.120 -0.000 0.000 0.274 82 V C 0.470 176.634 176.094 0.116 0.000 1.028 82 V CA -0.425 61.954 62.300 0.131 0.000 0.851 82 V CB 1.240 33.072 31.823 0.014 0.000 1.000 82 V HN 0.665 nan 8.190 nan 0.000 0.456 83 D N 3.085 123.508 120.400 0.039 0.000 2.149 83 D HA -0.024 4.616 4.640 -0.000 0.000 0.201 83 D C 0.427 176.735 176.300 0.014 0.000 0.972 83 D CA 1.420 55.420 54.000 -0.000 0.000 0.835 83 D CB 0.109 40.897 40.800 -0.020 0.000 0.966 83 D HN 0.540 nan 8.370 nan 0.000 0.476 84 N N -0.430 118.257 118.700 -0.021 0.000 2.483 84 N HA 0.338 5.078 4.740 -0.000 0.000 0.267 84 N C -1.325 174.087 175.510 -0.163 0.000 0.998 84 N CA -0.338 52.675 53.050 -0.061 0.000 0.918 84 N CB 2.454 40.903 38.487 -0.062 0.000 1.215 84 N HN -0.262 nan 8.380 nan 0.000 0.500 85 V N 2.296 122.080 119.914 -0.216 0.000 2.483 85 V HA 0.434 4.554 4.120 -0.000 0.000 0.295 85 V C -0.406 175.500 176.094 -0.314 0.000 1.035 85 V CA -0.886 61.152 62.300 -0.435 0.000 0.896 85 V CB 1.713 33.107 31.823 -0.714 0.000 0.986 85 V HN 0.466 nan 8.190 nan 0.000 0.447 86 L N 5.681 126.735 121.223 -0.280 0.000 2.272 86 L HA 0.602 4.941 4.340 -0.000 0.000 0.289 86 L C -0.671 176.080 176.870 -0.199 0.000 1.032 86 L CA -0.205 54.517 54.840 -0.196 0.000 0.810 86 L CB 1.319 43.294 42.059 -0.141 0.000 1.205 86 L HN 0.639 nan 8.230 nan 0.000 0.422 87 L N 5.204 126.319 121.223 -0.179 0.000 2.264 87 L HA 0.571 4.910 4.340 -0.000 0.000 0.289 87 L C -0.478 176.301 176.870 -0.151 0.000 1.044 87 L CA 0.535 55.288 54.840 -0.145 0.000 0.807 87 L CB 1.155 43.148 42.059 -0.110 0.000 1.192 87 L HN 0.712 nan 8.230 nan 0.000 0.425 88 T N 5.170 119.593 114.554 -0.219 0.000 2.792 88 T HA 0.826 5.176 4.350 -0.000 0.000 0.280 88 T C -0.490 173.925 174.700 -0.475 0.000 0.990 88 T CA -0.331 61.592 62.100 -0.295 0.000 0.960 88 T CB 1.369 70.092 68.868 -0.241 0.000 0.939 88 T HN 0.817 nan 8.240 nan 0.000 0.439 89 A N 3.444 125.865 122.820 -0.665 0.000 2.355 89 A HA 0.773 5.093 4.320 -0.000 0.000 0.317 89 A C -0.655 176.530 177.584 -0.666 0.000 1.094 89 A CA -0.866 50.666 52.037 -0.841 0.000 0.764 89 A CB 1.125 19.380 19.000 -1.242 0.000 1.230 89 A HN 0.801 nan 8.150 nan 0.000 0.448 90 E N 1.111 120.940 120.200 -0.617 0.000 2.246 90 E HA 0.321 4.671 4.350 -0.000 0.000 0.266 90 E C -1.827 174.625 176.600 -0.247 0.000 0.880 90 E CA -0.463 55.710 56.400 -0.378 0.000 0.762 90 E CB 1.688 31.181 29.700 -0.346 0.000 1.180 90 E HN 0.599 nan 8.360 nan 0.000 0.416 91 Y N 2.746 123.126 120.300 0.133 0.000 2.667 91 Y HA 0.039 4.589 4.550 -0.000 0.000 0.340 91 Y C 1.434 177.352 175.900 0.030 0.000 1.303 91 Y CA 0.023 58.288 58.100 0.274 0.000 1.769 91 Y CB -0.162 38.443 38.460 0.242 0.000 1.804 91 Y HN 0.536 nan 8.280 nan 0.000 0.451 92 Q N 0.567 120.312 119.800 -0.092 0.000 2.079 92 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 92 Q C 0.886 176.919 176.000 0.055 0.000 0.974 92 Q CA 1.603 57.144 55.803 -0.437 0.000 0.840 92 Q CB 0.172 28.642 28.738 -0.447 0.000 0.898 92 Q HN 0.645 nan 8.270 nan 0.000 0.430 93 T N -5.204 109.469 114.554 0.198 0.000 2.778 93 T HA 0.283 4.632 4.350 -0.000 0.000 0.293 93 T C 0.574 175.449 174.700 0.293 0.000 1.144 93 T CA -0.499 61.737 62.100 0.227 0.000 1.010 93 T CB 1.353 70.339 68.868 0.197 0.000 1.325 93 T HN -0.150 nan 8.240 nan 0.000 0.515 94 S N 0.567 116.393 115.700 0.210 0.000 2.442 94 S HA -0.021 4.449 4.470 -0.000 0.000 0.236 94 S C 1.249 176.047 174.600 0.331 0.000 1.007 94 S CA 0.912 59.216 58.200 0.174 0.000 0.965 94 S CB -0.453 62.806 63.200 0.098 0.000 0.773 94 S HN 0.713 nan 8.310 nan 0.000 0.504 95 N N 0.173 119.089 118.700 0.359 0.000 2.170 95 N HA 0.153 4.892 4.740 -0.000 0.000 0.222 95 N C -0.043 175.667 175.510 0.334 0.000 1.218 95 N CA 0.001 53.269 53.050 0.363 0.000 0.889 95 N CB 0.996 39.634 38.487 0.251 0.000 1.083 95 N HN 0.200 nan 8.380 nan 0.000 0.520 96 R N 0.866 121.563 120.500 0.327 0.000 2.514 96 R HA 0.258 4.598 4.340 -0.000 0.000 0.296 96 R C -1.921 174.432 176.300 0.088 0.000 1.012 96 R CA -0.481 55.712 56.100 0.154 0.000 0.897 96 R CB 1.078 31.514 30.300 0.228 0.000 1.184 96 R HN -0.177 nan 8.270 nan 0.000 0.440 97 F N 3.792 123.515 119.950 -0.379 0.000 2.469 97 F HA 0.428 4.955 4.527 -0.000 0.000 0.332 97 F C -0.997 174.660 175.800 -0.239 0.000 1.103 97 F CA -0.795 56.970 58.000 -0.391 0.000 0.979 97 F CB 1.211 39.768 39.000 -0.738 0.000 1.137 97 F HN 0.627 nan 8.300 nan 0.000 0.463 98 H N 6.476 124.924 119.070 -1.037 0.000 2.589 98 H HA 0.555 5.111 4.556 -0.000 0.000 0.351 98 H C -1.745 172.812 175.328 -1.284 0.000 1.074 98 H CA -1.170 54.206 56.048 -1.120 0.000 1.203 98 H CB 1.116 30.364 29.762 -0.857 0.000 1.558 98 H HN 0.502 nan 8.280 nan 0.000 0.522 99 F N 2.683 121.768 119.950 -1.442 0.000 2.591 99 F HA 0.624 5.151 4.527 -0.000 0.000 0.309 99 F C -1.670 173.622 175.800 -0.848 0.000 1.098 99 F CA -1.054 56.243 58.000 -1.171 0.000 0.937 99 F CB 1.518 39.995 39.000 -0.871 0.000 1.250 99 F HN 0.521 nan 8.300 nan 0.000 0.447 100 K N 3.553 123.584 120.400 -0.615 0.000 2.375 100 K HA 0.805 5.124 4.320 -0.000 0.000 0.249 100 K C -1.977 174.538 176.600 -0.143 0.000 0.942 100 K CA -0.943 55.099 56.287 -0.409 0.000 0.806 100 K CB 2.856 35.110 32.500 -0.410 0.000 1.227 100 K HN 0.847 nan 8.250 nan 0.000 0.430 101 L N 2.373 123.578 121.223 -0.030 0.000 2.319 101 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 101 L C -0.418 176.547 176.870 0.158 0.000 1.005 101 L CA -0.358 54.515 54.840 0.056 0.000 0.828 101 L CB 1.971 44.145 42.059 0.191 0.000 1.227 101 L HN 1.000 nan 8.230 nan 0.000 0.415 102 T N -2.304 112.232 114.554 -0.030 0.000 2.887 102 T HA 0.372 4.722 4.350 -0.000 0.000 0.292 102 T C -0.816 173.726 174.700 -0.263 0.000 1.087 102 T CA -0.903 61.191 62.100 -0.010 0.000 1.009 102 T CB 2.173 71.017 68.868 -0.040 0.000 1.203 102 T HN 0.301 nan 8.240 nan 0.000 0.518 103 D N 0.373 120.675 120.400 -0.163 0.000 2.317 103 D HA 0.137 4.776 4.640 -0.000 0.000 0.252 103 D C 1.045 177.257 176.300 -0.145 0.000 1.174 103 D CA -0.050 53.813 54.000 -0.229 0.000 0.866 103 D CB 1.591 42.354 40.800 -0.061 0.000 1.127 103 D HN 0.683 nan 8.370 nan 0.000 0.467 104 Q N 1.853 121.555 119.800 -0.164 0.000 2.234 104 Q HA -0.155 4.184 4.340 -0.000 0.000 0.206 104 Q C 1.328 177.288 176.000 -0.066 0.000 0.980 104 Q CA 1.762 57.501 55.803 -0.108 0.000 0.869 104 Q CB 0.327 29.003 28.738 -0.102 0.000 0.912 104 Q HN 0.685 nan 8.270 nan 0.000 0.436 105 T N -4.383 110.138 114.554 -0.055 0.000 2.969 105 T HA 0.177 4.527 4.350 -0.000 0.000 0.250 105 T C 0.154 174.845 174.700 -0.014 0.000 1.021 105 T CA -0.192 61.890 62.100 -0.029 0.000 1.003 105 T CB 0.191 69.045 68.868 -0.024 0.000 1.040 105 T HN 0.046 nan 8.240 nan 0.000 0.492 106 N N 1.156 119.851 118.700 -0.009 0.000 2.284 106 N HA 0.412 5.151 4.740 -0.000 0.000 0.300 106 N C -1.424 174.096 175.510 0.017 0.000 1.047 106 N CA -0.731 52.326 53.050 0.012 0.000 0.821 106 N CB 1.324 39.831 38.487 0.032 0.000 1.337 106 N HN 0.219 nan 8.380 nan 0.000 0.482 107 N N 1.174 119.887 118.700 0.021 0.000 2.513 107 N HA 0.221 4.961 4.740 -0.000 0.000 0.268 107 N C -0.490 175.052 175.510 0.053 0.000 1.180 107 N CA 0.053 53.117 53.050 0.023 0.000 0.948 107 N CB 0.927 39.421 38.487 0.012 0.000 1.083 107 N HN 0.265 nan 8.380 nan 0.000 0.455 108 R N 0.955 121.493 120.500 0.063 0.000 2.919 108 R HA 0.326 4.666 4.340 -0.000 0.000 0.260 108 R C -0.781 175.585 176.300 0.111 0.000 1.067 108 R CA -0.893 55.276 56.100 0.115 0.000 1.003 108 R CB 1.221 31.612 30.300 0.151 0.000 1.192 108 R HN 0.423 nan 8.270 nan 0.000 0.488 109 F N 1.721 121.689 119.950 0.029 0.000 2.572 109 F HA 0.053 4.580 4.527 -0.000 0.000 0.370 109 F C -0.312 175.474 175.800 -0.022 0.000 1.103 109 F CA 0.629 58.633 58.000 0.008 0.000 1.286 109 F CB 0.557 39.577 39.000 0.034 0.000 1.105 109 F HN 0.319 nan 8.300 nan 0.000 0.583 110 E N 4.435 124.049 120.200 -0.976 0.000 2.272 110 E HA 0.321 4.671 4.350 -0.000 0.000 0.269 110 E C -1.171 174.724 176.600 -1.174 0.000 0.877 110 E CA -1.236 54.691 56.400 -0.789 0.000 0.755 110 E CB 2.234 31.698 29.700 -0.394 0.000 1.192 110 E HN 0.371 nan 8.360 nan 0.000 0.422 111 V N 3.980 123.455 119.914 -0.732 0.000 2.539 111 V HA -0.004 4.115 4.120 -0.000 0.000 0.300 111 V C -1.676 174.132 176.094 -0.477 0.000 1.019 111 V CA -0.530 61.464 62.300 -0.510 0.000 1.160 111 V CB -0.367 31.360 31.823 -0.160 0.000 0.901 111 V HN 0.617 nan 8.190 nan 0.000 0.481 112 P HA 0.107 nan 4.420 nan 0.000 0.220 112 P C 0.123 177.097 177.300 -0.543 0.000 1.806 112 P CA -0.144 62.544 63.100 -0.687 0.000 0.976 112 P CB -0.183 30.773 31.700 -1.240 0.000 1.952 113 H N 1.855 120.742 119.070 -0.305 0.000 2.871 113 H HA 0.005 4.561 4.556 -0.000 0.000 0.355 113 H C 0.999 176.347 175.328 0.033 0.000 1.092 113 H CA 0.602 56.587 56.048 -0.105 0.000 1.420 113 H CB 1.130 30.886 29.762 -0.010 0.000 1.400 113 H HN 0.278 nan 8.280 nan 0.000 0.604 114 E N 2.926 123.113 120.200 -0.022 0.000 2.299 114 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 114 E C 0.807 177.548 176.600 0.235 0.000 0.998 114 E CA 0.591 57.091 56.400 0.166 0.000 0.851 114 E CB 0.304 30.168 29.700 0.274 0.000 0.795 114 E HN 0.750 nan 8.360 nan 0.000 0.492 115 H N -1.077 118.137 119.070 0.240 0.000 2.426 115 H HA 0.216 4.772 4.556 -0.000 0.000 0.286 115 H C 0.253 175.677 175.328 0.160 0.000 0.990 115 H CA 0.310 56.481 56.048 0.205 0.000 1.237 115 H CB 0.412 30.286 29.762 0.187 0.000 1.466 115 H HN -0.180 nan 8.280 nan 0.000 0.525 116 V N 3.123 123.227 119.914 0.317 0.000 2.599 116 V HA 0.003 4.123 4.120 -0.000 0.000 0.300 116 V C -0.017 176.083 176.094 0.010 0.000 1.034 116 V CA 0.653 62.982 62.300 0.049 0.000 1.115 116 V CB 0.877 32.667 31.823 -0.054 0.000 0.934 116 V HN 0.493 nan 8.190 nan 0.000 0.485 117 Q N 2.389 122.168 119.800 -0.035 0.000 2.301 117 Q HA 0.477 4.817 4.340 -0.000 0.000 0.267 117 Q C 0.075 176.093 176.000 0.030 0.000 1.035 117 Q CA -0.590 55.206 55.803 -0.013 0.000 0.856 117 Q CB 1.990 30.707 28.738 -0.036 0.000 1.337 117 Q HN 0.915 nan 8.270 nan 0.000 0.450 118 S N 0.633 116.352 115.700 0.031 0.000 2.573 118 S HA 0.142 4.612 4.470 -0.000 0.000 0.277 118 S C -0.425 174.250 174.600 0.126 0.000 1.346 118 S CA -0.464 57.778 58.200 0.069 0.000 1.034 118 S CB 0.301 63.522 63.200 0.034 0.000 0.879 118 S HN 0.467 nan 8.310 nan 0.000 0.528 119 F N 2.878 122.832 119.950 0.006 0.000 2.411 119 F HA 0.535 5.061 4.527 -0.000 0.000 0.350 119 F C 0.336 176.146 175.800 0.018 0.000 1.114 119 F CA -0.332 57.680 58.000 0.020 0.000 1.135 119 F CB 0.958 39.985 39.000 0.046 0.000 1.120 119 F HN 0.853 nan 8.300 nan 0.000 0.495 120 S N 3.776 119.146 115.700 -0.550 0.000 2.638 120 S HA 0.934 5.403 4.470 -0.000 0.000 0.302 120 S C 0.112 174.283 174.600 -0.715 0.000 1.096 120 S CA -0.381 57.543 58.200 -0.460 0.000 0.953 120 S CB 1.173 64.240 63.200 -0.222 0.000 1.107 120 S HN 1.601 nan 8.310 nan 0.000 0.503 121 G N 1.550 110.120 108.800 -0.383 0.000 2.598 121 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.244 121 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.244 121 G C -1.063 173.720 174.900 -0.196 0.000 1.302 121 G CA -0.368 44.568 45.100 -0.273 0.000 0.903 121 G HN 0.898 nan 8.290 nan 0.000 0.575 122 N N 0.826 119.516 118.700 -0.017 0.000 2.456 122 N HA 0.632 5.371 4.740 -0.000 0.000 0.296 122 N C 0.683 176.402 175.510 0.348 0.000 1.102 122 N CA 0.322 53.468 53.050 0.159 0.000 0.924 122 N CB 1.455 40.002 38.487 0.099 0.000 1.186 122 N HN 1.308 nan 8.380 nan 0.000 0.492 123 A N 0.763 123.796 122.820 0.354 0.000 2.587 123 A HA 0.354 4.674 4.320 -0.000 0.000 0.235 123 A C 0.614 178.349 177.584 0.251 0.000 1.044 123 A CA -0.084 52.174 52.037 0.369 0.000 0.754 123 A CB -0.345 18.863 19.000 0.347 0.000 0.968 123 A HN 0.748 nan 8.150 nan 0.000 0.509 124 A N 1.982 124.949 122.820 0.245 0.000 2.407 124 A HA 0.570 4.889 4.320 -0.000 0.000 0.248 124 A C 0.912 178.525 177.584 0.048 0.000 1.082 124 A CA 0.217 52.349 52.037 0.159 0.000 0.785 124 A CB -0.124 18.979 19.000 0.172 0.000 1.020 124 A HN 2.219 nan 8.150 nan 0.000 0.489 125 A N 0.940 123.780 122.820 0.034 0.000 2.313 125 A HA 0.557 4.877 4.320 -0.000 0.000 0.261 125 A C 0.940 178.499 177.584 -0.041 0.000 1.090 125 A CA 0.392 52.419 52.037 -0.015 0.000 0.807 125 A CB -0.359 18.642 19.000 0.003 0.000 1.055 125 A HN 2.090 nan 8.150 nan 0.000 0.492 126 S N -1.083 114.574 115.700 -0.071 0.000 3.711 126 S HA -0.119 4.351 4.470 -0.000 0.000 0.374 126 S C 0.007 174.546 174.600 -0.103 0.000 0.969 126 S CA 0.662 58.820 58.200 -0.071 0.000 1.198 126 S CB -2.033 61.151 63.200 -0.026 0.000 0.903 126 S HN 0.604 nan 8.310 nan 0.000 0.493 127 L N 1.031 122.128 121.223 -0.210 0.000 2.439 127 L HA 0.229 4.568 4.340 -0.000 0.000 0.269 127 L C 1.873 178.589 176.870 -0.257 0.000 1.179 127 L CA 0.347 54.973 54.840 -0.357 0.000 0.828 127 L CB 0.363 41.993 42.059 -0.716 0.000 1.106 127 L HN 0.554 nan 8.230 nan 0.000 0.467 128 T N -2.216 112.246 114.554 -0.154 0.000 3.086 128 T HA 0.112 4.462 4.350 -0.000 0.000 0.250 128 T C -0.027 174.699 174.700 0.042 0.000 1.074 128 T CA -0.036 62.064 62.100 -0.000 0.000 0.988 128 T CB -0.233 68.705 68.868 0.116 0.000 0.988 128 T HN 0.506 nan 8.240 nan 0.000 0.530 129 Y N -0.557 119.732 120.300 -0.019 0.000 2.605 129 Y HA 0.791 5.340 4.550 -0.000 0.000 0.343 129 Y C -0.656 175.190 175.900 -0.091 0.000 1.036 129 Y CA -1.741 56.328 58.100 -0.051 0.000 1.065 129 Y CB 1.431 39.867 38.460 -0.041 0.000 1.288 129 Y HN 0.075 nan 8.280 nan 0.000 0.481 130 Q N 1.377 121.204 119.800 0.045 0.000 2.389 130 Q HA 0.752 5.092 4.340 -0.000 0.000 0.277 130 Q C -2.253 173.744 176.000 -0.005 0.000 1.082 130 Q CA -1.076 54.703 55.803 -0.039 0.000 0.810 130 Q CB 3.008 31.700 28.738 -0.077 0.000 1.374 130 Q HN 0.793 nan 8.270 nan 0.000 0.422 131 V N 2.660 122.563 119.914 -0.019 0.000 2.495 131 V HA 0.448 4.567 4.120 -0.000 0.000 0.298 131 V C -1.164 174.888 176.094 -0.069 0.000 1.031 131 V CA -0.666 61.577 62.300 -0.096 0.000 0.871 131 V CB 1.810 33.527 31.823 -0.176 0.000 0.988 131 V HN 0.786 nan 8.190 nan 0.000 0.432 132 E N 4.597 124.741 120.200 -0.093 0.000 2.210 132 E HA 0.620 4.970 4.350 -0.000 0.000 0.266 132 E C -1.116 175.415 176.600 -0.115 0.000 0.883 132 E CA -0.453 55.884 56.400 -0.106 0.000 0.761 132 E CB 2.053 31.697 29.700 -0.094 0.000 1.156 132 E HN 0.365 nan 8.360 nan 0.000 0.412 133 I N 1.983 122.479 120.570 -0.123 0.000 2.404 133 I HA 0.385 4.555 4.170 -0.000 0.000 0.293 133 I C -0.187 175.878 176.117 -0.086 0.000 0.992 133 I CA -0.650 60.592 61.300 -0.097 0.000 1.149 133 I CB 1.580 39.559 38.000 -0.035 0.000 1.315 133 I HN 0.385 nan 8.210 nan 0.000 0.446 134 S N 6.019 121.653 115.700 -0.111 0.000 2.549 134 S HA 0.534 5.003 4.470 -0.000 0.000 0.297 134 S C 0.927 175.548 174.600 0.036 0.000 1.115 134 S CA -0.738 57.430 58.200 -0.053 0.000 1.059 134 S CB 2.215 65.368 63.200 -0.078 0.000 1.046 134 S HN 0.530 nan 8.310 nan 0.000 0.506 135 R N 0.453 120.999 120.500 0.077 0.000 2.195 135 R HA 0.193 4.533 4.340 -0.000 0.000 0.197 135 R C -0.243 176.170 176.300 0.189 0.000 0.990 135 R CA 0.321 56.517 56.100 0.160 0.000 1.048 135 R CB 0.178 30.552 30.300 0.123 0.000 0.997 135 R HN 0.450 nan 8.270 nan 0.000 0.502 136 Q N 1.636 121.504 119.800 0.115 0.000 2.891 136 Q HA 0.334 4.674 4.340 -0.000 0.000 0.242 136 Q C -2.417 173.626 176.000 0.072 0.000 0.959 136 Q CA -1.439 54.425 55.803 0.102 0.000 0.707 136 Q CB 1.930 30.692 28.738 0.041 0.000 1.283 136 Q HN 0.146 nan 8.270 nan 0.000 0.480 137 P HA 0.308 nan 4.420 nan 0.000 0.282 137 P C -0.350 177.064 177.300 0.190 0.000 1.287 137 P CA -0.674 62.534 63.100 0.180 0.000 0.792 137 P CB 0.845 32.648 31.700 0.171 0.000 1.163 138 F N 1.382 121.414 119.950 0.136 0.000 2.578 138 F HA 0.280 4.807 4.527 -0.000 0.000 0.376 138 F C 0.186 176.030 175.800 0.074 0.000 1.085 138 F CA 0.735 58.798 58.000 0.104 0.000 1.260 138 F CB 0.332 39.404 39.000 0.120 0.000 1.095 138 F HN 0.459 nan 8.300 nan 0.000 0.573 139 S N 6.871 122.024 115.700 -0.912 0.000 2.596 139 S HA 0.679 5.148 4.470 -0.000 0.000 0.270 139 S C -1.255 172.753 174.600 -0.987 0.000 1.155 139 S CA -1.011 56.612 58.200 -0.961 0.000 0.827 139 S CB 1.705 64.682 63.200 -0.373 0.000 1.130 139 S HN 0.946 nan 8.310 nan 0.000 0.467 140 I N 0.761 120.941 120.570 -0.649 0.000 2.533 140 I HA 0.687 4.857 4.170 -0.000 0.000 0.290 140 I C -1.320 174.716 176.117 -0.136 0.000 1.056 140 I CA -0.533 60.546 61.300 -0.370 0.000 1.057 140 I CB 1.761 39.522 38.000 -0.398 0.000 1.240 140 I HN 0.910 nan 8.210 nan 0.000 0.423 141 K N 6.606 126.941 120.400 -0.109 0.000 2.427 141 K HA 0.672 4.992 4.320 -0.000 0.000 0.252 141 K C -2.099 174.462 176.600 -0.066 0.000 0.931 141 K CA -0.638 55.624 56.287 -0.042 0.000 0.793 141 K CB 2.299 34.751 32.500 -0.080 0.000 1.211 141 K HN 0.459 nan 8.250 nan 0.000 0.426 142 V N 3.329 123.227 119.914 -0.027 0.000 2.409 142 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 142 V C -0.217 175.827 176.094 -0.083 0.000 1.020 142 V CA -0.662 61.583 62.300 -0.092 0.000 0.848 142 V CB 1.409 33.166 31.823 -0.109 0.000 0.990 142 V HN 0.976 nan 8.190 nan 0.000 0.430 143 T N 1.973 116.491 114.554 -0.060 0.000 2.912 143 T HA 0.590 4.940 4.350 -0.000 0.000 0.288 143 T C -0.253 174.434 174.700 -0.022 0.000 1.030 143 T CA -0.882 61.179 62.100 -0.064 0.000 1.020 143 T CB 1.714 70.548 68.868 -0.057 0.000 1.056 143 T HN 0.592 nan 8.240 nan 0.000 0.480 144 R N 1.509 121.988 120.500 -0.035 0.000 2.370 144 R HA 0.225 4.565 4.340 -0.000 0.000 0.309 144 R C 1.516 177.816 176.300 -0.001 0.000 1.059 144 R CA -0.361 55.743 56.100 0.007 0.000 0.981 144 R CB 0.349 30.649 30.300 0.001 0.000 0.972 144 R HN 0.739 nan 8.270 nan 0.000 0.437 145 R N 1.204 121.705 120.500 0.002 0.000 2.091 145 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 145 R C 2.184 178.474 176.300 -0.017 0.000 1.136 145 R CA 2.111 58.196 56.100 -0.025 0.000 0.959 145 R CB -0.155 30.113 30.300 -0.053 0.000 0.856 145 R HN 0.775 nan 8.270 nan 0.000 0.437 146 S N 1.440 117.138 115.700 -0.003 0.000 2.400 146 S HA -0.140 4.330 4.470 -0.000 0.000 0.232 146 S C 1.215 175.817 174.600 0.004 0.000 1.025 146 S CA 1.559 59.761 58.200 0.003 0.000 0.993 146 S CB -0.182 63.026 63.200 0.015 0.000 0.808 146 S HN 0.491 nan 8.310 nan 0.000 0.478 147 N N -0.137 118.565 118.700 0.003 0.000 2.167 147 N HA 0.135 4.875 4.740 -0.000 0.000 0.234 147 N C -0.302 175.205 175.510 -0.006 0.000 1.312 147 N CA 0.134 53.186 53.050 0.004 0.000 0.861 147 N CB -1.499 36.996 38.487 0.014 0.000 1.217 147 N HN 0.515 nan 8.380 nan 0.000 0.504 148 N N -0.218 118.473 118.700 -0.015 0.000 2.681 148 N HA -0.286 4.453 4.740 -0.000 0.000 0.250 148 N C -0.647 174.844 175.510 -0.032 0.000 1.133 148 N CA 0.561 53.596 53.050 -0.025 0.000 0.732 148 N CB -0.800 37.671 38.487 -0.025 0.000 1.107 148 N HN 0.378 nan 8.380 nan 0.000 0.559 149 R N 1.023 121.504 120.500 -0.031 0.000 2.449 149 R HA 0.254 4.594 4.340 -0.000 0.000 0.296 149 R C -0.554 175.698 176.300 -0.079 0.000 1.047 149 R CA -0.132 55.943 56.100 -0.042 0.000 1.018 149 R CB 0.644 30.926 30.300 -0.030 0.000 0.962 149 R HN 0.023 nan 8.270 nan 0.000 0.428 150 V N 8.071 127.934 119.914 -0.084 0.000 2.439 150 V HA 0.025 4.145 4.120 -0.000 0.000 0.271 150 V C 1.210 177.193 176.094 -0.184 0.000 1.040 150 V CA 0.122 62.354 62.300 -0.112 0.000 1.002 150 V CB 0.656 32.427 31.823 -0.087 0.000 1.000 150 V HN 0.805 nan 8.190 nan 0.000 0.477 151 L N 4.287 125.335 121.223 -0.292 0.000 2.276 151 L HA 0.329 4.669 4.340 -0.000 0.000 0.194 151 L C 0.644 177.260 176.870 -0.423 0.000 1.099 151 L CA 0.747 55.179 54.840 -0.680 0.000 0.800 151 L CB 0.010 41.419 42.059 -1.084 0.000 0.994 151 L HN 0.467 nan 8.230 nan 0.000 0.475 152 F N 0.862 120.621 119.950 -0.319 0.000 2.443 152 F HA 0.385 4.912 4.527 -0.000 0.000 0.335 152 F C -0.737 174.990 175.800 -0.123 0.000 1.104 152 F CA -0.619 57.318 58.000 -0.106 0.000 1.013 152 F CB 1.202 40.176 39.000 -0.043 0.000 1.136 152 F HN -0.107 nan 8.300 nan 0.000 0.470 153 D N 2.761 123.013 120.400 -0.248 0.000 2.318 153 D HA 0.084 4.724 4.640 -0.000 0.000 0.233 153 D C 0.083 176.245 176.300 -0.231 0.000 1.348 153 D CA -0.083 53.830 54.000 -0.145 0.000 0.983 153 D CB 1.145 41.869 40.800 -0.128 0.000 1.416 153 D HN 0.428 nan 8.370 nan 0.000 0.558 154 S N 1.270 116.877 115.700 -0.155 0.000 2.607 154 S HA -0.095 4.374 4.470 -0.000 0.000 0.224 154 S C 1.679 176.211 174.600 -0.113 0.000 0.969 154 S CA 0.821 58.937 58.200 -0.140 0.000 0.927 154 S CB -0.251 62.950 63.200 0.001 0.000 0.772 154 S HN 0.335 nan 8.310 nan 0.000 0.533 155 S N 1.383 117.010 115.700 -0.122 0.000 2.474 155 S HA 0.049 4.519 4.470 -0.000 0.000 0.235 155 S C 1.588 176.160 174.600 -0.047 0.000 0.997 155 S CA 0.506 58.653 58.200 -0.089 0.000 0.949 155 S CB -0.826 62.320 63.200 -0.090 0.000 0.766 155 S HN 0.639 nan 8.310 nan 0.000 0.517 156 I N 1.417 121.952 120.570 -0.058 0.000 2.361 156 I HA 0.103 4.273 4.170 -0.000 0.000 0.251 156 I C 1.083 177.212 176.117 0.020 0.000 1.133 156 I CA 1.024 62.306 61.300 -0.030 0.000 1.413 156 I CB -0.417 37.546 38.000 -0.061 0.000 1.073 156 I HN 0.505 nan 8.210 nan 0.000 0.424 157 G N -0.307 108.501 108.800 0.014 0.000 2.766 157 G HA2 0.536 4.495 3.960 -0.000 0.000 0.288 157 G HA3 0.536 4.495 3.960 -0.000 0.000 0.288 157 G C -2.911 172.000 174.900 0.018 0.000 1.408 157 G CA -0.829 44.296 45.100 0.041 0.000 0.852 157 G HN -0.081 nan 8.290 nan 0.000 0.487 158 P HA 0.429 nan 4.420 nan 0.000 0.277 158 P C -0.929 176.421 177.300 0.082 0.000 1.271 158 P CA -0.575 62.523 63.100 -0.005 0.000 0.795 158 P CB 1.444 33.026 31.700 -0.195 0.000 1.101 159 L N 0.883 122.239 121.223 0.221 0.000 2.275 159 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 159 L C -1.005 176.038 176.870 0.290 0.000 1.046 159 L CA -0.297 54.694 54.840 0.251 0.000 0.805 159 L CB -0.104 42.110 42.059 0.258 0.000 1.193 159 L HN 0.169 nan 8.230 nan 0.000 0.426 160 L N 5.960 127.332 121.223 0.248 0.000 2.346 160 L HA 0.534 4.874 4.340 -0.000 0.000 0.276 160 L C -1.051 176.028 176.870 0.348 0.000 1.006 160 L CA -0.404 54.643 54.840 0.345 0.000 0.817 160 L CB 1.748 44.021 42.059 0.358 0.000 1.272 160 L HN 0.651 nan 8.230 nan 0.000 0.421 161 F N 2.828 122.945 119.950 0.278 0.000 3.228 161 F HA 0.651 5.178 4.527 -0.000 0.000 0.390 161 F C -0.235 175.700 175.800 0.226 0.000 1.235 161 F CA -0.377 57.729 58.000 0.178 0.000 1.236 161 F CB 0.829 39.843 39.000 0.023 0.000 1.855 161 F HN 0.547 nan 8.300 nan 0.000 0.647 162 A N 2.587 125.648 122.820 0.401 0.000 2.313 162 A HA 0.356 4.676 4.320 -0.000 0.000 0.323 162 A C 0.628 178.380 177.584 0.281 0.000 1.133 162 A CA -0.366 51.888 52.037 0.361 0.000 0.847 162 A CB 0.988 20.189 19.000 0.336 0.000 1.308 162 A HN 0.651 nan 8.150 nan 0.000 0.475 163 D N -0.680 119.869 120.400 0.250 0.000 2.182 163 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 163 D C 1.054 177.458 176.300 0.173 0.000 0.986 163 D CA 1.910 56.028 54.000 0.197 0.000 0.847 163 D CB 0.226 41.118 40.800 0.154 0.000 0.942 163 D HN 0.555 nan 8.370 nan 0.000 0.467 164 Q N -1.528 118.402 119.800 0.216 0.000 2.115 164 Q HA 0.214 4.554 4.340 -0.000 0.000 0.249 164 Q C -1.074 175.115 176.000 0.315 0.000 0.830 164 Q CA -0.322 55.631 55.803 0.251 0.000 1.104 164 Q CB 1.158 30.043 28.738 0.245 0.000 1.207 164 Q HN 0.161 nan 8.270 nan 0.000 0.464 165 F N 0.952 120.945 119.950 0.073 0.000 2.839 165 F HA 0.366 4.893 4.527 -0.000 0.000 0.344 165 F C -2.250 173.531 175.800 -0.032 0.000 1.242 165 F CA -0.769 57.235 58.000 0.007 0.000 1.091 165 F CB 1.038 40.068 39.000 0.051 0.000 1.374 165 F HN -0.161 nan 8.300 nan 0.000 0.553 166 L N 5.359 126.362 121.223 -0.368 0.000 2.386 166 L HA 0.669 5.009 4.340 -0.000 0.000 0.271 166 L C -0.832 175.820 176.870 -0.363 0.000 0.993 166 L CA -0.381 54.253 54.840 -0.343 0.000 0.819 166 L CB 2.157 43.924 42.059 -0.485 0.000 1.294 166 L HN 0.646 nan 8.230 nan 0.000 0.414 167 Q N 2.732 122.446 119.800 -0.142 0.000 2.309 167 Q HA 0.774 5.114 4.340 -0.000 0.000 0.273 167 Q C -2.160 173.903 176.000 0.104 0.000 1.040 167 Q CA -0.709 55.058 55.803 -0.060 0.000 0.834 167 Q CB 2.731 31.435 28.738 -0.057 0.000 1.345 167 Q HN 0.551 nan 8.270 nan 0.000 0.414 168 L N 1.424 122.759 121.223 0.187 0.000 2.472 168 L HA 0.634 4.974 4.340 -0.000 0.000 0.260 168 L C -1.490 175.491 176.870 0.185 0.000 0.963 168 L CA -0.017 54.962 54.840 0.231 0.000 0.829 168 L CB 2.723 45.000 42.059 0.363 0.000 1.348 168 L HN 0.690 nan 8.230 nan 0.000 0.408 169 S N 0.947 116.688 115.700 0.069 0.000 2.607 169 S HA 0.867 5.337 4.470 -0.000 0.000 0.303 169 S C -0.847 173.620 174.600 -0.220 0.000 1.086 169 S CA -0.540 57.638 58.200 -0.037 0.000 0.995 169 S CB 1.917 65.097 63.200 -0.033 0.000 1.084 169 S HN 0.712 nan 8.310 nan 0.000 0.507 170 T N 1.017 115.370 114.554 -0.335 0.000 2.933 170 T HA 0.442 4.791 4.350 -0.000 0.000 0.305 170 T C -0.781 173.726 174.700 -0.321 0.000 1.092 170 T CA -0.813 60.957 62.100 -0.550 0.000 1.008 170 T CB 0.703 68.818 68.868 -1.256 0.000 1.102 170 T HN 0.548 nan 8.240 nan 0.000 0.469 171 R N 2.411 122.756 120.500 -0.259 0.000 2.738 171 R HA 0.552 4.892 4.340 -0.000 0.000 0.268 171 R C -0.399 175.825 176.300 -0.127 0.000 1.062 171 R CA -0.330 55.666 56.100 -0.173 0.000 1.158 171 R CB 0.381 30.600 30.300 -0.135 0.000 1.046 171 R HN 0.498 nan 8.270 nan 0.000 0.493 172 L N 2.109 123.283 121.223 -0.083 0.000 2.381 172 L HA 0.345 4.684 4.340 -0.000 0.000 0.268 172 L C -1.607 175.268 176.870 0.008 0.000 0.997 172 L CA -1.972 52.879 54.840 0.019 0.000 0.818 172 L CB 2.672 44.713 42.059 -0.031 0.000 1.310 172 L HN 0.491 nan 8.230 nan 0.000 0.416 173 P HA 0.006 nan 4.420 nan 0.000 0.245 173 P C -0.068 177.246 177.300 0.022 0.000 1.212 173 P CA 0.468 63.588 63.100 0.034 0.000 0.774 173 P CB 0.452 32.182 31.700 0.051 0.000 0.999 174 S N -1.987 113.717 115.700 0.006 0.000 2.611 174 S HA 0.327 4.797 4.470 -0.000 0.000 0.268 174 S C 0.218 174.764 174.600 -0.091 0.000 1.156 174 S CA -0.172 58.006 58.200 -0.037 0.000 0.817 174 S CB 0.645 63.808 63.200 -0.061 0.000 1.122 174 S HN -0.043 nan 8.310 nan 0.000 0.466 175 T N -0.847 113.647 114.554 -0.101 0.000 3.223 175 T HA 0.331 4.680 4.350 -0.000 0.000 0.259 175 T C -0.229 174.339 174.700 -0.221 0.000 1.015 175 T CA -0.471 61.538 62.100 -0.152 0.000 0.908 175 T CB -0.913 67.894 68.868 -0.103 0.000 1.054 175 T HN 0.488 nan 8.240 nan 0.000 0.567 176 N N 2.075 120.618 118.700 -0.261 0.000 3.083 176 N HA 0.347 5.087 4.740 -0.000 0.000 0.260 176 N C -1.116 174.032 175.510 -0.604 0.000 1.163 176 N CA -0.093 52.724 53.050 -0.389 0.000 1.060 176 N CB 1.314 39.602 38.487 -0.332 0.000 1.345 176 N HN 0.250 nan 8.380 nan 0.000 0.515 177 V N 2.429 121.823 119.914 -0.867 0.000 2.540 177 V HA 0.479 4.599 4.120 -0.000 0.000 0.302 177 V C -1.000 174.562 176.094 -0.887 0.000 1.035 177 V CA -0.671 61.225 62.300 -0.673 0.000 0.873 177 V CB 1.071 32.606 31.823 -0.480 0.000 0.992 177 V HN 0.307 nan 8.190 nan 0.000 0.428 178 Y N 2.260 122.482 120.300 -0.130 0.000 2.421 178 Y HA 0.871 5.421 4.550 -0.000 0.000 0.339 178 Y C 0.573 176.424 175.900 -0.082 0.000 0.996 178 Y CA 0.052 57.981 58.100 -0.285 0.000 1.046 178 Y CB 2.399 40.573 38.460 -0.477 0.000 1.226 178 Y HN 0.993 nan 8.280 nan 0.000 0.445 179 G N 1.145 110.046 108.800 0.169 0.000 2.270 179 G HA2 0.290 4.249 3.960 -0.000 0.000 0.268 179 G HA3 0.290 4.249 3.960 -0.000 0.000 0.268 179 G C -1.615 173.520 174.900 0.391 0.000 1.312 179 G CA -0.630 44.641 45.100 0.285 0.000 1.050 179 G HN 0.973 nan 8.290 nan 0.000 0.474 180 L N -1.659 119.829 121.223 0.440 0.000 0.591 180 L HA 0.247 4.587 4.340 -0.000 0.000 0.356 180 L C 0.629 177.715 176.870 0.360 0.000 1.004 180 L CA 0.672 55.683 54.840 0.285 0.000 1.223 180 L CB -1.081 41.021 42.059 0.071 0.000 0.054 180 L HN 2.632 nan 8.230 nan 0.000 0.096 181 G N 1.353 110.138 108.800 -0.026 0.000 2.349 181 G HA2 0.446 4.406 3.960 -0.000 0.000 0.294 181 G HA3 0.446 4.406 3.960 -0.000 0.000 0.294 181 G C -1.959 172.624 174.900 -0.529 0.000 1.380 181 G CA -0.340 44.523 45.100 -0.395 0.000 0.811 181 G HN 0.769 nan 8.290 nan 0.000 0.519 182 E N 0.231 120.154 120.200 -0.462 0.000 2.167 182 E HA 0.550 4.900 4.350 -0.000 0.000 0.284 182 E C -0.672 175.616 176.600 -0.520 0.000 1.016 182 E CA -0.610 55.611 56.400 -0.298 0.000 0.817 182 E CB 0.397 30.174 29.700 0.127 0.000 1.080 182 E HN 0.523 nan 8.360 nan 0.000 0.397 183 H N 1.608 120.598 119.070 -0.132 0.000 2.977 183 H HA 0.285 4.840 4.556 -0.000 0.000 0.350 183 H C -0.966 174.147 175.328 -0.358 0.000 1.238 183 H CA -0.832 55.058 56.048 -0.264 0.000 1.124 183 H CB 1.409 30.885 29.762 -0.477 0.000 1.866 183 H HN 0.200 nan 8.280 nan 0.000 0.550 184 V N 2.149 122.011 119.914 -0.087 0.000 2.320 184 V HA 0.059 4.178 4.120 -0.000 0.000 0.265 184 V C 0.706 176.676 176.094 -0.207 0.000 1.048 184 V CA 0.014 62.211 62.300 -0.171 0.000 0.865 184 V CB -0.156 31.557 31.823 -0.183 0.000 1.043 184 V HN 0.749 nan 8.190 nan 0.000 0.474 185 H N 2.724 121.706 119.070 -0.148 0.000 2.512 185 H HA -0.003 4.552 4.556 -0.000 0.000 0.279 185 H C 1.487 176.749 175.328 -0.109 0.000 0.999 185 H CA 0.684 56.614 56.048 -0.196 0.000 1.283 185 H CB 0.300 29.841 29.762 -0.368 0.000 1.421 185 H HN 0.773 nan 8.280 nan 0.000 0.554 186 Q N -1.424 118.332 119.800 -0.074 0.000 3.582 186 Q HA -0.266 4.074 4.340 -0.000 0.000 0.212 186 Q C -0.026 176.066 176.000 0.154 0.000 2.682 186 Q CA 1.596 57.373 55.803 -0.043 0.000 0.372 186 Q CB -0.876 27.786 28.738 -0.128 0.000 0.312 186 Q HN 0.376 nan 8.270 nan 0.000 0.562 187 Q N -0.822 118.975 119.800 -0.004 0.000 2.193 187 Q HA 0.381 4.721 4.340 -0.000 0.000 0.246 187 Q C 0.151 176.101 176.000 -0.083 0.000 0.959 187 Q CA -0.135 55.513 55.803 -0.257 0.000 0.904 187 Q CB 0.477 29.042 28.738 -0.290 0.000 1.238 187 Q HN 0.267 nan 8.270 nan 0.000 0.469 188 Y N 0.609 120.801 120.300 -0.181 0.000 2.201 188 Y HA 0.150 4.700 4.550 -0.000 0.000 0.292 188 Y C 0.420 176.275 175.900 -0.075 0.000 1.119 188 Y CA 0.935 59.032 58.100 -0.005 0.000 1.127 188 Y CB 0.478 39.041 38.460 0.172 0.000 1.019 188 Y HN 0.434 nan 8.280 nan 0.000 0.514 189 R N 1.318 121.737 120.500 -0.135 0.000 2.442 189 R HA 0.056 4.396 4.340 -0.000 0.000 0.291 189 R C -1.210 174.795 176.300 -0.491 0.000 1.069 189 R CA -0.212 55.641 56.100 -0.411 0.000 1.022 189 R CB 0.037 30.267 30.300 -0.117 0.000 0.976 189 R HN 0.331 nan 8.270 nan 0.000 0.443 190 H N 2.518 121.307 119.070 -0.468 0.000 2.800 190 H HA -0.019 4.537 4.556 -0.000 0.000 0.291 190 H C 0.482 175.646 175.328 -0.273 0.000 1.076 190 H CA -0.138 55.709 56.048 -0.334 0.000 1.452 190 H CB 1.060 30.585 29.762 -0.394 0.000 1.461 190 H HN 0.645 nan 8.280 nan 0.000 0.488 191 D N 3.456 123.804 120.400 -0.085 0.000 2.371 191 D HA -0.157 4.483 4.640 -0.000 0.000 0.221 191 D C 0.601 176.834 176.300 -0.112 0.000 0.986 191 D CA 0.344 54.293 54.000 -0.085 0.000 0.899 191 D CB 0.115 40.886 40.800 -0.047 0.000 0.902 191 D HN 0.475 nan 8.370 nan 0.000 0.530 192 M N -1.061 118.461 119.600 -0.129 0.000 2.976 192 M HA -0.219 4.261 4.480 -0.000 0.000 0.206 192 M C -0.047 176.092 176.300 -0.268 0.000 0.591 192 M CA 0.163 55.334 55.300 -0.214 0.000 0.777 192 M CB -3.090 29.363 32.600 -0.244 0.000 2.782 192 M HN 0.358 nan 8.290 nan 0.000 0.331 193 N N -0.813 117.781 118.700 -0.177 0.000 2.267 193 N HA 0.046 4.785 4.740 -0.000 0.000 0.226 193 N C -0.445 174.933 175.510 -0.220 0.000 1.314 193 N CA -0.076 52.871 53.050 -0.172 0.000 0.887 193 N CB 0.412 38.885 38.487 -0.023 0.000 1.120 193 N HN 0.254 nan 8.380 nan 0.000 0.440 194 W N 1.586 122.830 121.300 -0.094 0.000 2.489 194 W HA 0.192 4.852 4.660 -0.000 0.000 0.327 194 W C 0.151 176.574 176.519 -0.161 0.000 1.436 194 W CA 0.021 57.296 57.345 -0.117 0.000 1.315 194 W CB 0.055 29.452 29.460 -0.105 0.000 1.373 194 W HN 0.285 nan 8.180 nan 0.000 0.557 195 K N 2.087 122.469 120.400 -0.029 0.000 2.561 195 K HA 0.439 4.759 4.320 -0.000 0.000 0.254 195 K C -1.056 175.354 176.600 -0.318 0.000 0.942 195 K CA -0.475 55.668 56.287 -0.241 0.000 0.818 195 K CB 1.344 33.669 32.500 -0.292 0.000 1.306 195 K HN 0.166 nan 8.250 nan 0.000 0.435 196 T N 3.391 117.691 114.554 -0.423 0.000 2.779 196 T HA 0.467 4.816 4.350 -0.000 0.000 0.280 196 T C -1.159 173.217 174.700 -0.541 0.000 0.987 196 T CA -0.283 61.619 62.100 -0.330 0.000 0.966 196 T CB 0.319 69.093 68.868 -0.157 0.000 0.933 196 T HN 0.402 nan 8.240 nan 0.000 0.442 197 W N 5.662 126.870 121.300 -0.153 0.000 2.318 197 W HA 0.387 5.047 4.660 -0.000 0.000 0.315 197 W C -2.314 174.160 176.519 -0.076 0.000 1.033 197 W CA -2.375 54.820 57.345 -0.250 0.000 1.275 197 W CB 1.188 30.396 29.460 -0.420 0.000 1.250 197 W HN 0.376 nan 8.180 nan 0.000 0.421 198 P HA 0.372 nan 4.420 nan 0.000 0.282 198 P C -0.607 176.946 177.300 0.421 0.000 1.249 198 P CA -0.062 63.177 63.100 0.232 0.000 0.806 198 P CB 1.831 33.608 31.700 0.128 0.000 0.984 199 I N 3.473 124.243 120.570 0.334 0.000 2.439 199 I HA 0.473 4.643 4.170 -0.000 0.000 0.285 199 I C -0.860 175.468 176.117 0.351 0.000 1.021 199 I CA -0.566 60.924 61.300 0.318 0.000 1.091 199 I CB 1.228 39.383 38.000 0.258 0.000 1.242 199 I HN 0.242 nan 8.210 nan 0.000 0.439 200 F N 5.784 125.807 119.950 0.122 0.000 2.925 200 F HA 0.312 4.839 4.527 -0.000 0.000 0.347 200 F C -0.961 174.942 175.800 0.173 0.000 1.187 200 F CA -0.816 57.260 58.000 0.126 0.000 1.189 200 F CB 0.849 39.865 39.000 0.028 0.000 1.479 200 F HN 0.339 nan 8.300 nan 0.000 0.645 201 N N 4.398 123.033 118.700 -0.108 0.000 2.411 201 N HA 0.301 5.040 4.740 -0.000 0.000 0.261 201 N C -0.551 174.951 175.510 -0.013 0.000 1.248 201 N CA 0.324 53.344 53.050 -0.049 0.000 0.885 201 N CB 0.594 39.001 38.487 -0.134 0.000 1.062 201 N HN 0.614 nan 8.380 nan 0.000 0.471 202 R N 1.125 121.642 120.500 0.029 0.000 2.536 202 R HA 0.159 4.499 4.340 -0.000 0.000 0.269 202 R C -1.898 174.423 176.300 0.036 0.000 1.113 202 R CA -0.697 55.435 56.100 0.054 0.000 0.948 202 R CB 0.719 31.064 30.300 0.075 0.000 1.237 202 R HN 0.363 nan 8.270 nan 0.000 0.441 203 D N 2.284 122.762 120.400 0.130 0.000 2.346 203 D HA 0.251 4.890 4.640 -0.000 0.000 0.267 203 D C -1.094 175.275 176.300 0.114 0.000 1.320 203 D CA 1.085 55.217 54.000 0.221 0.000 0.951 203 D CB 0.528 41.472 40.800 0.240 0.000 1.079 203 D HN 0.507 nan 8.370 nan 0.000 0.509 204 T N 1.637 116.176 114.554 -0.024 0.000 2.840 204 T HA 0.311 4.661 4.350 -0.000 0.000 0.317 204 T C -0.789 173.904 174.700 -0.012 0.000 1.401 204 T CA -0.634 61.464 62.100 -0.004 0.000 1.028 204 T CB 1.067 69.917 68.868 -0.030 0.000 1.317 204 T HN 0.129 nan 8.240 nan 0.000 0.495 205 T N 5.236 119.847 114.554 0.096 0.000 2.870 205 T HA 0.387 4.737 4.350 -0.000 0.000 0.300 205 T C -2.449 172.326 174.700 0.125 0.000 0.989 205 T CA -0.680 61.520 62.100 0.166 0.000 1.139 205 T CB 0.754 69.742 68.868 0.201 0.000 0.920 205 T HN 0.382 nan 8.240 nan 0.000 0.537 206 P HA 0.219 nan 4.420 nan 0.000 0.268 206 P C -0.641 176.818 177.300 0.266 0.000 1.541 206 P CA -0.512 62.693 63.100 0.174 0.000 1.093 206 P CB -0.036 31.799 31.700 0.224 0.000 1.551 207 N N 0.691 119.512 118.700 0.202 0.000 3.201 207 N HA 0.389 5.129 4.740 -0.000 0.000 0.344 207 N C 1.150 176.660 175.510 0.000 0.000 1.465 207 N CA -0.892 52.339 53.050 0.301 0.000 0.731 207 N CB -0.383 38.263 38.487 0.265 0.000 1.677 207 N HN 0.015 nan 8.380 nan 0.000 0.631 208 G N -1.331 107.513 108.800 0.074 0.000 2.848 208 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.208 208 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.208 208 G C 0.381 175.252 174.900 -0.048 0.000 1.152 208 G CA -0.056 44.952 45.100 -0.153 0.000 0.789 208 G HN 0.549 nan 8.290 nan 0.000 0.531 209 N N 0.977 119.682 118.700 0.009 0.000 2.463 209 N HA 0.008 4.748 4.740 -0.000 0.000 0.181 209 N C 1.745 177.259 175.510 0.006 0.000 1.078 209 N CA 0.838 53.898 53.050 0.015 0.000 0.902 209 N CB 0.154 38.665 38.487 0.040 0.000 0.970 209 N HN 0.346 nan 8.380 nan 0.000 0.451 210 G N 1.734 110.564 108.800 0.050 0.000 2.273 210 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.280 210 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.280 210 G C 0.423 175.440 174.900 0.196 0.000 1.047 210 G CA 0.973 46.195 45.100 0.203 0.000 0.869 210 G HN 0.505 nan 8.290 nan 0.000 0.502 211 T N -1.334 113.314 114.554 0.157 0.000 2.816 211 T HA 0.506 4.856 4.350 -0.000 0.000 0.282 211 T C 0.897 175.769 174.700 0.286 0.000 0.993 211 T CA -0.088 62.105 62.100 0.156 0.000 0.994 211 T CB 0.977 69.897 68.868 0.086 0.000 1.025 211 T HN 0.775 nan 8.240 nan 0.000 0.529 212 N N 1.562 120.420 118.700 0.263 0.000 2.412 212 N HA 0.097 4.837 4.740 -0.000 0.000 0.254 212 N C -0.253 175.309 175.510 0.086 0.000 1.232 212 N CA -0.084 53.125 53.050 0.266 0.000 0.880 212 N CB 0.374 39.006 38.487 0.242 0.000 1.076 212 N HN 0.701 nan 8.380 nan 0.000 0.458 213 L N 0.283 121.495 121.223 -0.018 0.000 2.778 213 L HA 0.301 4.641 4.340 -0.000 0.000 0.246 213 L C 1.140 177.876 176.870 -0.223 0.000 1.820 213 L CA -0.935 53.740 54.840 -0.274 0.000 1.986 213 L CB -0.258 41.598 42.059 -0.338 0.000 2.298 213 L HN 0.337 nan 8.230 nan 0.000 0.580 214 Y N 0.073 120.403 120.300 0.051 0.000 2.314 214 Y HA 0.123 4.672 4.550 -0.000 0.000 0.293 214 Y C 1.317 177.235 175.900 0.030 0.000 1.129 214 Y CA 0.523 58.641 58.100 0.030 0.000 1.201 214 Y CB -0.569 37.894 38.460 0.005 0.000 0.999 214 Y HN 0.406 nan 8.280 nan 0.000 0.541 215 G N -0.904 108.007 108.800 0.185 0.000 2.644 215 G HA2 0.687 4.647 3.960 -0.000 0.000 0.307 215 G HA3 0.687 4.647 3.960 -0.000 0.000 0.307 215 G C -1.467 173.461 174.900 0.048 0.000 1.250 215 G CA -0.562 44.615 45.100 0.128 0.000 0.996 215 G HN 0.186 nan 8.290 nan 0.000 0.489 216 A N 0.528 123.377 122.820 0.048 0.000 2.340 216 A HA 0.714 5.033 4.320 -0.000 0.000 0.297 216 A C -0.719 176.742 177.584 -0.205 0.000 1.195 216 A CA -0.528 51.523 52.037 0.024 0.000 0.769 216 A CB 1.255 20.414 19.000 0.264 0.000 1.163 216 A HN 0.383 nan 8.150 nan 0.000 0.472 217 Q N 2.005 121.614 119.800 -0.319 0.000 2.350 217 Q HA 0.249 4.588 4.340 -0.000 0.000 0.255 217 Q C 0.317 176.139 176.000 -0.298 0.000 0.951 217 Q CA -0.063 55.392 55.803 -0.580 0.000 0.751 217 Q CB 1.570 29.498 28.738 -1.351 0.000 1.296 217 Q HN 0.881 nan 8.270 nan 0.000 0.453 218 T N -1.532 112.976 114.554 -0.077 0.000 3.107 218 T HA 0.170 4.520 4.350 -0.000 0.000 0.249 218 T C 0.509 175.388 174.700 0.297 0.000 1.096 218 T CA -0.145 62.037 62.100 0.136 0.000 1.012 218 T CB -0.057 68.811 68.868 -0.000 0.000 0.977 218 T HN 0.292 nan 8.240 nan 0.000 0.527 219 F N 3.532 123.518 119.950 0.059 0.000 2.443 219 F HA 0.516 5.043 4.527 -0.000 0.000 0.353 219 F C -0.579 175.319 175.800 0.163 0.000 1.101 219 F CA -2.299 55.697 58.000 -0.007 0.000 1.226 219 F CB 0.390 39.060 39.000 -0.549 0.000 1.140 219 F HN 0.247 nan 8.300 nan 0.000 0.557 220 F N 5.753 125.200 119.950 -0.839 0.000 2.613 220 F HA 0.728 5.255 4.527 -0.000 0.000 0.314 220 F C -2.177 172.919 175.800 -1.174 0.000 1.075 220 F CA -1.560 55.948 58.000 -0.821 0.000 0.945 220 F CB 1.167 39.928 39.000 -0.399 0.000 1.310 220 F HN 0.567 nan 8.300 nan 0.000 0.467 221 L N 2.954 123.845 121.223 -0.552 0.000 2.362 221 L HA 0.745 5.085 4.340 -0.000 0.000 0.271 221 L C -1.570 175.224 176.870 -0.127 0.000 1.002 221 L CA -0.593 53.987 54.840 -0.434 0.000 0.818 221 L CB 1.720 43.703 42.059 -0.127 0.000 1.298 221 L HN 1.104 nan 8.230 nan 0.000 0.420 222 C N 5.995 125.093 119.300 -0.337 0.000 2.322 222 C HA 0.505 4.965 4.460 -0.000 0.000 0.324 222 C C -0.362 174.556 174.990 -0.120 0.000 1.249 222 C CA -0.940 57.937 59.018 -0.234 0.000 1.453 222 C CB 0.640 28.140 27.740 -0.399 0.000 2.145 222 C HN 0.790 nan 8.230 nan 0.000 0.466 223 L N 6.494 127.688 121.223 -0.049 0.000 2.385 223 L HA 0.350 4.690 4.340 -0.000 0.000 0.281 223 L C 1.127 177.908 176.870 -0.149 0.000 1.106 223 L CA 0.914 55.678 54.840 -0.127 0.000 0.856 223 L CB 0.214 42.137 42.059 -0.227 0.000 1.186 223 L HN 0.826 nan 8.230 nan 0.000 0.453 224 E N 2.162 122.342 120.200 -0.033 0.000 2.106 224 E HA -0.057 4.292 4.350 -0.000 0.000 0.192 224 E C -0.394 176.183 176.600 -0.038 0.000 0.984 224 E CA 1.441 57.855 56.400 0.022 0.000 0.806 224 E CB 0.111 29.867 29.700 0.093 0.000 0.750 224 E HN 0.926 nan 8.360 nan 0.000 0.458 225 D N -3.129 117.240 120.400 -0.053 0.000 2.725 225 D HA 0.251 4.891 4.640 -0.000 0.000 0.292 225 D C -0.140 176.280 176.300 0.200 0.000 1.288 225 D CA -0.167 53.874 54.000 0.069 0.000 0.784 225 D CB 0.212 41.086 40.800 0.123 0.000 1.308 225 D HN -0.111 nan 8.370 nan 0.000 0.429 226 A N -0.139 122.955 122.820 0.456 0.000 2.178 226 A HA -0.021 4.298 4.320 -0.000 0.000 0.218 226 A C 1.858 179.702 177.584 0.434 0.000 1.157 226 A CA 2.009 54.392 52.037 0.576 0.000 0.689 226 A CB -1.103 18.186 19.000 0.481 0.000 0.787 226 A HN 0.739 nan 8.150 nan 0.000 0.465 227 S N -2.146 113.717 115.700 0.271 0.000 2.453 227 S HA 0.304 4.774 4.470 -0.000 0.000 0.231 227 S C 1.553 176.229 174.600 0.127 0.000 1.005 227 S CA 1.295 59.626 58.200 0.219 0.000 0.949 227 S CB -0.224 63.054 63.200 0.129 0.000 0.774 227 S HN 1.800 nan 8.310 nan 0.000 0.510 228 G N 0.540 109.297 108.800 -0.072 0.000 2.231 228 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.206 228 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.206 228 G C -0.026 174.632 174.900 -0.404 0.000 0.996 228 G CA -0.159 44.496 45.100 -0.742 0.000 0.645 228 G HN 0.485 nan 8.290 nan 0.000 0.498 229 L N 2.039 123.169 121.223 -0.154 0.000 2.559 229 L HA 0.446 4.786 4.340 -0.000 0.000 0.274 229 L C 0.487 177.342 176.870 -0.025 0.000 1.205 229 L CA 0.595 55.399 54.840 -0.060 0.000 0.907 229 L CB 0.793 42.856 42.059 0.007 0.000 1.153 229 L HN 0.253 nan 8.230 nan 0.000 0.490 230 S N 2.522 118.236 115.700 0.023 0.000 2.638 230 S HA 0.816 5.286 4.470 -0.000 0.000 0.274 230 S C -0.895 173.843 174.600 0.230 0.000 1.157 230 S CA -0.633 57.608 58.200 0.069 0.000 0.826 230 S CB 2.322 65.483 63.200 -0.065 0.000 1.139 230 S HN 0.496 nan 8.310 nan 0.000 0.474 231 F N -1.385 118.585 119.950 0.032 0.000 2.711 231 F HA 0.953 5.479 4.527 -0.000 0.000 0.313 231 F C -0.355 175.474 175.800 0.049 0.000 1.141 231 F CA -0.777 57.271 58.000 0.081 0.000 0.941 231 F CB 1.004 40.056 39.000 0.086 0.000 1.349 231 F HN 0.796 nan 8.300 nan 0.000 0.464 232 G N 0.433 109.237 108.800 0.007 0.000 2.660 232 G HA2 0.643 4.603 3.960 -0.000 0.000 0.294 232 G HA3 0.643 4.603 3.960 -0.000 0.000 0.294 232 G C -2.487 172.428 174.900 0.024 0.000 1.369 232 G CA -1.122 43.839 45.100 -0.232 0.000 0.912 232 G HN 0.793 nan 8.290 nan 0.000 0.479 233 V N 0.751 120.417 119.914 -0.414 0.000 2.709 233 V HA 0.697 4.817 4.120 -0.000 0.000 0.308 233 V C -1.398 174.828 176.094 0.220 0.000 1.062 233 V CA -0.707 61.577 62.300 -0.026 0.000 0.901 233 V CB 1.729 33.536 31.823 -0.025 0.000 1.003 233 V HN 0.773 nan 8.190 nan 0.000 0.425 234 F N 5.635 125.750 119.950 0.275 0.000 2.556 234 F HA 0.822 5.348 4.527 -0.000 0.000 0.314 234 F C -1.303 174.506 175.800 0.015 0.000 1.106 234 F CA -1.174 56.965 58.000 0.233 0.000 0.911 234 F CB 1.898 41.166 39.000 0.446 0.000 1.190 234 F HN 0.414 nan 8.300 nan 0.000 0.448 235 L N 7.527 128.095 121.223 -1.092 0.000 2.294 235 L HA 0.528 4.868 4.340 -0.000 0.000 0.283 235 L C -0.760 175.242 176.870 -1.446 0.000 1.015 235 L CA -0.701 53.338 54.840 -1.334 0.000 0.831 235 L CB 1.222 42.425 42.059 -1.428 0.000 1.217 235 L HN 0.767 nan 8.230 nan 0.000 0.420 236 M N 6.117 125.073 119.600 -1.074 0.000 3.011 236 M HA 0.355 4.835 4.480 -0.000 0.000 0.292 236 M C -0.998 175.131 176.300 -0.285 0.000 1.440 236 M CA 0.532 55.520 55.300 -0.520 0.000 1.552 236 M CB -1.106 31.434 32.600 -0.099 0.000 1.187 236 M HN 0.650 nan 8.290 nan 0.000 0.520 237 N N 1.012 119.617 118.700 -0.159 0.000 2.455 237 N HA 0.221 4.961 4.740 -0.000 0.000 0.285 237 N C -0.687 174.920 175.510 0.162 0.000 1.080 237 N CA 0.060 53.083 53.050 -0.045 0.000 0.932 237 N CB 1.594 39.965 38.487 -0.193 0.000 1.610 237 N HN 0.503 nan 8.380 nan 0.000 0.493 238 S N 1.281 117.092 115.700 0.185 0.000 2.557 238 S HA 0.225 4.695 4.470 -0.000 0.000 0.223 238 S C 0.387 175.062 174.600 0.126 0.000 0.969 238 S CA -0.566 57.727 58.200 0.156 0.000 0.927 238 S CB -0.128 63.025 63.200 -0.078 0.000 0.806 238 S HN 0.481 nan 8.310 nan 0.000 0.489 239 N N 2.170 120.917 118.700 0.078 0.000 2.424 239 N HA 0.437 5.177 4.740 -0.000 0.000 0.257 239 N C 0.094 175.634 175.510 0.050 0.000 1.250 239 N CA 0.085 53.123 53.050 -0.020 0.000 0.946 239 N CB 0.796 39.225 38.487 -0.097 0.000 1.175 239 N HN 0.411 nan 8.380 nan 0.000 0.477 240 A N 1.131 123.930 122.820 -0.035 0.000 2.531 240 A HA 0.290 4.610 4.320 -0.000 0.000 0.236 240 A C 0.386 177.960 177.584 -0.016 0.000 1.062 240 A CA 0.429 52.454 52.037 -0.019 0.000 0.760 240 A CB -0.258 18.417 19.000 -0.541 0.000 0.995 240 A HN 0.775 nan 8.150 nan 0.000 0.501 241 M N 1.019 120.660 119.600 0.069 0.000 2.880 241 M HA 0.773 5.253 4.480 -0.000 0.000 0.269 241 M C -1.251 175.120 176.300 0.118 0.000 1.248 241 M CA -0.696 54.648 55.300 0.075 0.000 0.821 241 M CB 1.920 34.574 32.600 0.090 0.000 1.650 241 M HN 0.746 nan 8.290 nan 0.000 0.479 242 E N 0.487 120.756 120.200 0.116 0.000 2.383 242 E HA 0.733 5.082 4.350 -0.000 0.000 0.275 242 E C -1.751 174.898 176.600 0.082 0.000 0.918 242 E CA -1.185 55.289 56.400 0.124 0.000 0.764 242 E CB 2.839 32.605 29.700 0.109 0.000 1.252 242 E HN 0.526 nan 8.360 nan 0.000 0.449 243 V N 1.625 121.574 119.914 0.060 0.000 2.487 243 V HA 0.325 4.445 4.120 -0.000 0.000 0.298 243 V C -0.607 175.438 176.094 -0.081 0.000 1.028 243 V CA -0.836 61.413 62.300 -0.086 0.000 0.860 243 V CB 1.665 33.401 31.823 -0.144 0.000 0.991 243 V HN 0.582 nan 8.190 nan 0.000 0.427 244 V N 6.529 126.360 119.914 -0.138 0.000 2.347 244 V HA 0.474 4.594 4.120 -0.000 0.000 0.280 244 V C -0.131 175.855 176.094 -0.180 0.000 1.021 244 V CA -0.421 61.815 62.300 -0.107 0.000 0.847 244 V CB 1.406 33.213 31.823 -0.028 0.000 0.990 244 V HN 0.623 nan 8.190 nan 0.000 0.444 245 L N 6.051 127.159 121.223 -0.192 0.000 2.322 245 L HA 0.718 5.057 4.340 -0.000 0.000 0.279 245 L C -0.017 176.656 176.870 -0.329 0.000 1.036 245 L CA -0.409 54.264 54.840 -0.278 0.000 0.807 245 L CB 1.583 43.484 42.059 -0.263 0.000 1.226 245 L HN 0.790 nan 8.230 nan 0.000 0.433 246 Q N 1.928 121.445 119.800 -0.472 0.000 2.501 246 Q HA 0.451 4.791 4.340 -0.000 0.000 0.288 246 Q C -2.692 172.867 176.000 -0.735 0.000 1.051 246 Q CA -1.984 53.300 55.803 -0.865 0.000 0.788 246 Q CB 2.377 30.457 28.738 -1.097 0.000 1.469 246 Q HN 0.181 nan 8.270 nan 0.000 0.416 247 P HA 0.005 nan 4.420 nan 0.000 0.242 247 P C 0.834 177.933 177.300 -0.335 0.000 1.197 247 P CA 1.136 63.934 63.100 -0.503 0.000 0.765 247 P CB 0.001 31.435 31.700 -0.443 0.000 0.936 248 A N 0.820 123.432 122.820 -0.346 0.000 1.909 248 A HA -0.147 4.173 4.320 -0.000 0.000 0.221 248 A C -0.809 176.680 177.584 -0.158 0.000 1.223 248 A CA 1.509 53.419 52.037 -0.211 0.000 0.658 248 A CB -2.527 16.358 19.000 -0.193 0.000 0.831 248 A HN 0.280 nan 8.150 nan 0.000 0.462 249 P HA 0.606 nan 4.420 nan 0.000 0.282 249 P C -0.750 176.418 177.300 -0.221 0.000 1.249 249 P CA 0.154 63.121 63.100 -0.223 0.000 0.806 249 P CB 1.571 33.154 31.700 -0.195 0.000 0.984 250 A N 2.227 124.883 122.820 -0.275 0.000 2.612 250 A HA 0.736 5.056 4.320 -0.000 0.000 0.293 250 A C -1.651 175.749 177.584 -0.308 0.000 1.075 250 A CA -0.659 51.225 52.037 -0.255 0.000 0.680 250 A CB 1.173 20.047 19.000 -0.210 0.000 1.279 250 A HN 0.586 nan 8.150 nan 0.000 0.411 251 I N 0.457 120.842 120.570 -0.308 0.000 2.608 251 I HA 0.731 4.901 4.170 -0.000 0.000 0.295 251 I C -0.994 174.969 176.117 -0.257 0.000 1.049 251 I CA -0.162 60.917 61.300 -0.368 0.000 1.063 251 I CB 2.368 40.027 38.000 -0.568 0.000 1.248 251 I HN 0.629 nan 8.210 nan 0.000 0.424 252 T N 5.733 120.147 114.554 -0.235 0.000 2.861 252 T HA 0.485 4.834 4.350 -0.000 0.000 0.287 252 T C -1.307 173.307 174.700 -0.144 0.000 1.003 252 T CA -0.211 61.831 62.100 -0.097 0.000 0.977 252 T CB 0.919 69.774 68.868 -0.021 0.000 0.996 252 T HN 0.294 nan 8.240 nan 0.000 0.448 253 Y N 1.915 122.260 120.300 0.075 0.000 2.341 253 Y HA 0.595 5.145 4.550 -0.000 0.000 0.337 253 Y C 0.690 176.572 175.900 -0.030 0.000 1.014 253 Y CA -0.862 57.281 58.100 0.071 0.000 1.111 253 Y CB 1.325 39.899 38.460 0.190 0.000 1.194 253 Y HN 0.356 nan 8.280 nan 0.000 0.462 254 R N 2.385 122.906 120.500 0.035 0.000 2.507 254 R HA 0.428 4.768 4.340 -0.000 0.000 0.298 254 R C -1.358 174.823 176.300 -0.198 0.000 1.087 254 R CA -0.203 55.760 56.100 -0.229 0.000 0.917 254 R CB 1.305 31.456 30.300 -0.248 0.000 1.173 254 R HN 0.752 nan 8.270 nan 0.000 0.472 255 T N 3.345 117.738 114.554 -0.270 0.000 2.924 255 T HA 0.405 4.755 4.350 -0.000 0.000 0.291 255 T C 0.821 175.409 174.700 -0.187 0.000 1.045 255 T CA -0.838 61.165 62.100 -0.162 0.000 1.015 255 T CB 1.028 69.821 68.868 -0.126 0.000 1.103 255 T HN 0.654 nan 8.240 nan 0.000 0.496 256 I N 0.417 120.942 120.570 -0.075 0.000 3.914 256 I HA 0.685 4.854 4.170 -0.000 0.000 0.333 256 I C 0.501 176.693 176.117 0.124 0.000 1.449 256 I CA -0.512 60.814 61.300 0.043 0.000 1.135 256 I CB -0.090 37.977 38.000 0.113 0.000 1.073 256 I HN 0.608 nan 8.210 nan 0.000 0.401 257 G N -0.477 108.346 108.800 0.038 0.000 2.548 257 G HA2 0.541 4.501 3.960 -0.000 0.000 0.301 257 G HA3 0.541 4.501 3.960 -0.000 0.000 0.301 257 G C -0.173 174.755 174.900 0.046 0.000 1.349 257 G CA -0.105 45.070 45.100 0.125 0.000 0.792 257 G HN 0.611 nan 8.290 nan 0.000 0.481 258 G N -0.807 108.076 108.800 0.138 0.000 2.547 258 G HA2 0.195 4.154 3.960 -0.000 0.000 0.271 258 G HA3 0.195 4.154 3.960 -0.000 0.000 0.271 258 G C 0.248 175.150 174.900 0.003 0.000 1.209 258 G CA 1.150 46.348 45.100 0.163 0.000 0.959 258 G HN 2.149 nan 8.290 nan 0.000 0.563 259 I N -2.839 117.691 120.570 -0.066 0.000 3.145 259 I HA 0.790 4.960 4.170 -0.000 0.000 0.313 259 I C -0.209 175.769 176.117 -0.232 0.000 1.122 259 I CA -1.501 59.730 61.300 -0.114 0.000 0.987 259 I CB 2.072 40.060 38.000 -0.019 0.000 1.236 259 I HN 0.537 nan 8.210 nan 0.000 0.453 260 L N 2.561 123.657 121.223 -0.211 0.000 2.268 260 L HA 0.395 4.735 4.340 -0.000 0.000 0.289 260 L C -0.984 175.658 176.870 -0.380 0.000 1.064 260 L CA 0.100 54.755 54.840 -0.307 0.000 0.824 260 L CB 0.310 42.353 42.059 -0.027 0.000 1.202 260 L HN 0.555 nan 8.230 nan 0.000 0.433 261 D N 3.876 123.903 120.400 -0.622 0.000 2.446 261 D HA 0.346 4.985 4.640 -0.000 0.000 0.251 261 D C -1.028 174.789 176.300 -0.806 0.000 1.137 261 D CA -0.174 53.480 54.000 -0.576 0.000 0.890 261 D CB 0.636 41.231 40.800 -0.341 0.000 1.071 261 D HN 0.003 nan 8.370 nan 0.000 0.528 262 F N 2.329 121.720 119.950 -0.933 0.000 2.492 262 F HA 0.512 5.039 4.527 -0.000 0.000 0.327 262 F C -0.366 174.901 175.800 -0.888 0.000 1.079 262 F CA -0.605 56.838 58.000 -0.929 0.000 0.967 262 F CB 1.422 39.591 39.000 -1.384 0.000 1.169 262 F HN 0.163 nan 8.300 nan 0.000 0.472 263 Y N 0.887 121.056 120.300 -0.218 0.000 2.425 263 Y HA 0.677 5.226 4.550 -0.000 0.000 0.344 263 Y C -0.851 174.744 175.900 -0.509 0.000 0.969 263 Y CA -1.135 56.734 58.100 -0.383 0.000 1.052 263 Y CB 2.108 40.358 38.460 -0.350 0.000 1.215 263 Y HN 0.186 nan 8.280 nan 0.000 0.451 264 V N 4.165 123.824 119.914 -0.425 0.000 2.588 264 V HA 0.499 4.619 4.120 -0.000 0.000 0.304 264 V C -1.101 174.783 176.094 -0.351 0.000 1.042 264 V CA -1.121 61.032 62.300 -0.245 0.000 0.877 264 V CB 1.395 33.215 31.823 -0.005 0.000 0.996 264 V HN 0.494 nan 8.190 nan 0.000 0.425 265 F N 4.569 124.653 119.950 0.224 0.000 2.507 265 F HA 0.772 5.299 4.527 -0.000 0.000 0.325 265 F C -0.412 175.517 175.800 0.215 0.000 1.116 265 F CA -0.792 57.323 58.000 0.191 0.000 0.930 265 F CB 1.741 40.864 39.000 0.205 0.000 1.146 265 F HN 0.191 nan 8.300 nan 0.000 0.447 266 L N 2.006 123.439 121.223 0.350 0.000 2.334 266 L HA 0.940 5.280 4.340 -0.000 0.000 0.273 266 L C 0.224 177.228 176.870 0.223 0.000 1.013 266 L CA -0.287 54.725 54.840 0.288 0.000 0.816 266 L CB 1.994 44.197 42.059 0.239 0.000 1.278 266 L HN 0.778 nan 8.230 nan 0.000 0.431 267 G N 0.268 109.166 108.800 0.164 0.000 2.695 267 G HA2 0.295 4.255 3.960 -0.000 0.000 0.290 267 G HA3 0.295 4.255 3.960 -0.000 0.000 0.290 267 G C -0.171 174.752 174.900 0.039 0.000 1.410 267 G CA -0.480 44.675 45.100 0.091 0.000 0.844 267 G HN 0.424 nan 8.290 nan 0.000 0.478 268 N N -0.550 118.155 118.700 0.008 0.000 2.446 268 N HA 0.071 4.811 4.740 -0.000 0.000 0.179 268 N C 0.822 176.254 175.510 -0.131 0.000 1.054 268 N CA 1.174 54.206 53.050 -0.029 0.000 0.905 268 N CB 0.439 38.927 38.487 0.001 0.000 0.973 268 N HN 0.766 nan 8.380 nan 0.000 0.448 269 T N -3.855 110.609 114.554 -0.151 0.000 2.883 269 T HA 0.397 4.747 4.350 -0.000 0.000 0.301 269 T C -2.457 172.099 174.700 -0.239 0.000 1.158 269 T CA -1.735 60.191 62.100 -0.290 0.000 1.007 269 T CB 2.689 71.470 68.868 -0.144 0.000 1.186 269 T HN -0.352 nan 8.240 nan 0.000 0.499 270 P HA -0.071 nan 4.420 nan 0.000 0.215 270 P C 1.566 178.670 177.300 -0.326 0.000 1.153 270 P CA 0.943 63.799 63.100 -0.407 0.000 0.853 270 P CB 0.119 31.326 31.700 -0.821 0.000 0.788 271 E N -0.069 119.986 120.200 -0.241 0.000 2.130 271 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 271 E C 2.012 178.590 176.600 -0.035 0.000 0.998 271 E CA 1.296 57.672 56.400 -0.040 0.000 0.806 271 E CB -0.507 29.221 29.700 0.046 0.000 0.738 271 E HN 0.494 nan 8.360 nan 0.000 0.459 272 Q N 0.048 119.823 119.800 -0.042 0.000 2.230 272 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 272 Q C 2.353 178.348 176.000 -0.008 0.000 0.963 272 Q CA 0.829 56.620 55.803 -0.019 0.000 0.866 272 Q CB 0.101 28.839 28.738 0.000 0.000 0.931 272 Q HN 0.117 nan 8.270 nan 0.000 0.452 273 V N 0.238 120.152 119.914 0.000 0.000 2.358 273 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 273 V C 2.243 178.330 176.094 -0.011 0.000 1.047 273 V CA 1.336 63.668 62.300 0.052 0.000 1.035 273 V CB -0.399 31.477 31.823 0.090 0.000 0.658 273 V HN 0.167 nan 8.190 nan 0.000 0.452 274 V N -0.190 119.722 119.914 -0.002 0.000 2.287 274 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 274 V C 2.467 178.455 176.094 -0.177 0.000 1.053 274 V CA 2.203 64.464 62.300 -0.064 0.000 1.027 274 V CB -0.847 30.992 31.823 0.026 0.000 0.646 274 V HN 0.594 nan 8.190 nan 0.000 0.447 275 Q N -0.578 119.141 119.800 -0.135 0.000 2.096 275 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 275 Q C 2.361 178.236 176.000 -0.208 0.000 0.982 275 Q CA 1.562 57.265 55.803 -0.166 0.000 0.850 275 Q CB -0.205 28.469 28.738 -0.107 0.000 0.901 275 Q HN 0.610 nan 8.270 nan 0.000 0.422 276 E N 0.018 120.110 120.200 -0.180 0.000 2.072 276 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 276 E C 1.786 178.079 176.600 -0.511 0.000 0.985 276 E CA 0.893 57.192 56.400 -0.168 0.000 0.801 276 E CB -0.313 29.412 29.700 0.042 0.000 0.750 276 E HN 0.414 nan 8.360 nan 0.000 0.452 277 Y N 1.629 121.289 120.300 -1.065 0.000 2.145 277 Y HA -0.154 4.396 4.550 -0.000 0.000 0.286 277 Y C 2.131 177.507 175.900 -0.872 0.000 1.145 277 Y CA 1.353 58.553 58.100 -1.500 0.000 1.148 277 Y CB -0.433 37.013 38.460 -1.689 0.000 0.981 277 Y HN -0.073 nan 8.280 nan 0.000 0.507 278 L N 0.075 120.807 121.223 -0.818 0.000 2.217 278 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 278 L C 2.369 178.912 176.870 -0.544 0.000 1.107 278 L CA 1.502 55.895 54.840 -0.745 0.000 0.783 278 L CB -0.586 41.170 42.059 -0.505 0.000 0.919 278 L HN 0.212 nan 8.230 nan 0.000 0.442 279 E N 1.173 121.135 120.200 -0.397 0.000 2.077 279 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 279 E C 2.023 178.512 176.600 -0.185 0.000 0.989 279 E CA 1.347 57.606 56.400 -0.234 0.000 0.800 279 E CB -0.196 29.419 29.700 -0.141 0.000 0.746 279 E HN 0.305 nan 8.360 nan 0.000 0.452 280 L N 0.467 121.524 121.223 -0.277 0.000 2.023 280 L HA 0.006 4.346 4.340 -0.000 0.000 0.205 280 L C 2.296 178.996 176.870 -0.284 0.000 1.073 280 L CA 2.032 56.722 54.840 -0.249 0.000 0.745 280 L CB -0.458 41.434 42.059 -0.278 0.000 0.900 280 L HN 0.458 nan 8.230 nan 0.000 0.435 281 I N -2.538 117.662 120.570 -0.615 0.000 3.226 281 I HA 0.473 4.643 4.170 -0.000 0.000 0.277 281 I C 0.776 176.570 176.117 -0.538 0.000 1.243 281 I CA 0.306 61.244 61.300 -0.604 0.000 1.459 281 I CB -0.422 36.981 38.000 -0.995 0.000 1.093 281 I HN 0.280 nan 8.210 nan 0.000 0.453 282 G N 1.707 110.057 108.800 -0.750 0.000 3.187 282 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.682 282 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.682 282 G C -0.758 173.780 174.900 -0.602 0.000 1.266 282 G CA -1.022 43.507 45.100 -0.953 0.000 0.902 282 G HN 0.287 nan 8.290 nan 0.000 0.589 283 R N 3.028 123.227 120.500 -0.501 0.000 2.582 283 R HA 0.463 4.803 4.340 -0.000 0.000 0.271 283 R C -1.822 174.314 176.300 -0.272 0.000 1.078 283 R CA -1.220 54.653 56.100 -0.378 0.000 1.127 283 R CB 0.814 30.878 30.300 -0.394 0.000 1.038 283 R HN 0.435 nan 8.270 nan 0.000 0.500 284 P HA 0.002 nan 4.420 nan 0.000 0.269 284 P C -0.809 176.517 177.300 0.044 0.000 1.209 284 P CA -0.109 62.944 63.100 -0.079 0.000 0.776 284 P CB 0.642 32.330 31.700 -0.021 0.000 0.876 285 A N 3.401 126.194 122.820 -0.045 0.000 2.531 285 A HA 0.077 4.396 4.320 -0.000 0.000 0.236 285 A C 0.247 177.733 177.584 -0.164 0.000 1.062 285 A CA -0.201 51.769 52.037 -0.111 0.000 0.760 285 A CB -0.533 18.376 19.000 -0.152 0.000 0.995 285 A HN 0.618 nan 8.150 nan 0.000 0.501 286 L N 5.000 125.953 121.223 -0.451 0.000 2.418 286 L HA 0.379 4.719 4.340 -0.000 0.000 0.274 286 L C -1.989 174.729 176.870 -0.254 0.000 1.135 286 L CA -1.211 53.416 54.840 -0.355 0.000 0.870 286 L CB 0.229 41.971 42.059 -0.527 0.000 1.154 286 L HN 0.445 nan 8.230 nan 0.000 0.462 287 P HA 0.215 nan 4.420 nan 0.000 0.274 287 P C -0.783 176.373 177.300 -0.239 0.000 1.246 287 P CA -0.477 62.445 63.100 -0.297 0.000 0.795 287 P CB 0.544 31.947 31.700 -0.495 0.000 1.006 288 S N 0.481 115.948 115.700 -0.388 0.000 2.549 288 S HA -0.044 4.426 4.470 -0.000 0.000 0.286 288 S C 0.902 175.205 174.600 -0.496 0.000 1.314 288 S CA -0.070 57.825 58.200 -0.508 0.000 1.062 288 S CB -0.344 62.220 63.200 -1.060 0.000 0.865 288 S HN 0.448 nan 8.310 nan 0.000 0.498 289 Y N 3.526 123.545 120.300 -0.468 0.000 2.224 289 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 289 Y C 2.037 177.730 175.900 -0.345 0.000 1.146 289 Y CA 1.928 59.723 58.100 -0.509 0.000 1.182 289 Y CB -0.116 37.932 38.460 -0.687 0.000 0.983 289 Y HN 0.926 nan 8.280 nan 0.000 0.524 290 W N -0.498 120.759 121.300 -0.071 0.000 2.350 290 W HA -0.119 4.541 4.660 -0.000 0.000 0.289 290 W C 1.839 178.223 176.519 -0.224 0.000 1.215 290 W CA 0.935 58.199 57.345 -0.135 0.000 1.236 290 W CB -1.284 28.098 29.460 -0.129 0.000 1.130 290 W HN 0.208 nan 8.180 nan 0.000 0.541 291 A N 1.394 123.837 122.820 -0.627 0.000 2.209 291 A HA 0.053 4.373 4.320 -0.000 0.000 0.212 291 A C 2.072 179.571 177.584 -0.142 0.000 1.158 291 A CA 0.810 52.519 52.037 -0.545 0.000 0.742 291 A CB -0.797 17.695 19.000 -0.848 0.000 0.790 291 A HN 0.388 nan 8.150 nan 0.000 0.472 292 L N -0.765 120.298 121.223 -0.268 0.000 2.591 292 L HA 0.147 4.486 4.340 -0.000 0.000 0.228 292 L C 1.676 178.449 176.870 -0.162 0.000 1.133 292 L CA -0.100 54.603 54.840 -0.228 0.000 0.880 292 L CB -0.337 41.464 42.059 -0.429 0.000 1.033 292 L HN 0.422 nan 8.230 nan 0.000 0.450 293 G N -0.518 108.197 108.800 -0.142 0.000 2.588 293 G HA2 0.097 4.057 3.960 -0.000 0.000 0.278 293 G HA3 0.097 4.057 3.960 -0.000 0.000 0.278 293 G C -0.842 174.233 174.900 0.291 0.000 1.307 293 G CA -0.437 44.627 45.100 -0.060 0.000 1.016 293 G HN -0.074 nan 8.290 nan 0.000 0.503 294 F N 0.079 120.239 119.950 0.350 0.000 2.412 294 F HA 0.477 5.004 4.527 -0.000 0.000 0.348 294 F C -0.002 175.924 175.800 0.211 0.000 1.102 294 F CA -0.692 57.469 58.000 0.269 0.000 1.196 294 F CB 0.716 39.856 39.000 0.232 0.000 1.144 294 F HN 0.349 nan 8.300 nan 0.000 0.541 295 H N 5.283 123.911 119.070 -0.737 0.000 2.469 295 H HA 0.627 5.183 4.556 -0.000 0.000 0.342 295 H C -1.213 173.518 175.328 -0.994 0.000 1.115 295 H CA -0.736 54.959 56.048 -0.590 0.000 1.204 295 H CB 1.735 31.177 29.762 -0.534 0.000 1.492 295 H HN 0.652 nan 8.280 nan 0.000 0.499 296 L N 1.546 122.564 121.223 -0.342 0.000 2.381 296 L HA 0.744 5.084 4.340 -0.000 0.000 0.268 296 L C -0.626 176.266 176.870 0.036 0.000 0.997 296 L CA -0.152 54.533 54.840 -0.259 0.000 0.818 296 L CB 1.986 43.916 42.059 -0.214 0.000 1.310 296 L HN 0.640 nan 8.230 nan 0.000 0.416 297 S N 3.275 119.035 115.700 0.101 0.000 2.567 297 S HA 0.895 5.364 4.470 -0.000 0.000 0.270 297 S C -1.612 173.182 174.600 0.323 0.000 1.152 297 S CA -0.630 57.741 58.200 0.284 0.000 0.835 297 S CB 1.271 64.455 63.200 -0.026 0.000 1.115 297 S HN 0.984 nan 8.310 nan 0.000 0.459 298 R N 1.882 122.526 120.500 0.240 0.000 2.692 298 R HA 0.368 4.708 4.340 -0.000 0.000 0.269 298 R C -1.856 174.528 176.300 0.139 0.000 1.030 298 R CA -1.006 55.095 56.100 0.003 0.000 0.882 298 R CB 0.493 30.535 30.300 -0.430 0.000 1.250 298 R HN 0.680 nan 8.270 nan 0.000 0.465 299 Y N 2.766 123.067 120.300 0.002 0.000 2.480 299 Y HA 0.073 4.623 4.550 -0.000 0.000 0.341 299 Y C -0.349 175.465 175.900 -0.143 0.000 1.031 299 Y CA -0.081 58.037 58.100 0.030 0.000 1.295 299 Y CB 0.617 39.131 38.460 0.090 0.000 1.162 299 Y HN 0.797 nan 8.280 nan 0.000 0.523 300 E N 4.895 125.182 120.200 0.144 0.000 2.484 300 E HA -0.294 4.056 4.350 -0.000 0.000 0.181 300 E C -0.489 176.066 176.600 -0.074 0.000 1.458 300 E CA 0.628 57.005 56.400 -0.038 0.000 0.667 300 E CB -1.629 27.904 29.700 -0.277 0.000 1.125 300 E HN 0.912 nan 8.360 nan 0.000 0.384 301 Y N 0.059 120.433 120.300 0.124 0.000 2.293 301 Y HA -0.112 4.438 4.550 -0.000 0.000 0.291 301 Y C 2.402 178.323 175.900 0.036 0.000 1.137 301 Y CA 1.726 59.873 58.100 0.078 0.000 1.202 301 Y CB 0.068 38.597 38.460 0.116 0.000 0.990 301 Y HN 0.668 nan 8.280 nan 0.000 0.537 302 G N -0.638 108.313 108.800 0.250 0.000 2.498 302 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.229 302 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.229 302 G C 0.502 175.495 174.900 0.154 0.000 1.156 302 G CA 0.587 45.780 45.100 0.155 0.000 0.680 302 G HN 0.619 nan 8.290 nan 0.000 0.512 303 T N -2.243 112.276 114.554 -0.058 0.000 2.903 303 T HA 0.674 5.023 4.350 -0.000 0.000 0.299 303 T C 0.970 175.128 174.700 -0.904 0.000 1.093 303 T CA 0.205 62.014 62.100 -0.485 0.000 1.002 303 T CB 2.112 70.811 68.868 -0.283 0.000 1.127 303 T HN 0.975 nan 8.240 nan 0.000 0.488 304 L N 1.259 121.596 121.223 -1.477 0.000 2.042 304 L HA 0.032 4.371 4.340 -0.000 0.000 0.210 304 L C 1.934 178.439 176.870 -0.608 0.000 1.076 304 L CA 2.096 56.261 54.840 -1.125 0.000 0.749 304 L CB -1.033 40.502 42.059 -0.873 0.000 0.893 304 L HN 0.815 nan 8.230 nan 0.000 0.432 305 D N -0.447 119.703 120.400 -0.416 0.000 2.116 305 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 305 D C 1.935 178.106 176.300 -0.214 0.000 0.998 305 D CA 1.334 55.185 54.000 -0.247 0.000 0.836 305 D CB -0.269 40.430 40.800 -0.167 0.000 0.951 305 D HN 0.367 nan 8.370 nan 0.000 0.449 306 N N -0.000 118.575 118.700 -0.207 0.000 2.084 306 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 306 N C 1.802 177.208 175.510 -0.173 0.000 1.030 306 N CA 0.577 53.564 53.050 -0.105 0.000 0.849 306 N CB -0.423 38.062 38.487 -0.003 0.000 1.012 306 N HN 0.261 nan 8.380 nan 0.000 0.423 307 M N 0.672 120.038 119.600 -0.390 0.000 2.080 307 M HA -0.159 4.320 4.480 -0.000 0.000 0.260 307 M C 2.226 178.269 176.300 -0.429 0.000 1.068 307 M CA 1.485 56.335 55.300 -0.749 0.000 1.109 307 M CB 0.030 32.162 32.600 -0.781 0.000 1.342 307 M HN 0.027 nan 8.290 nan 0.000 0.405 308 R N 0.064 120.345 120.500 -0.366 0.000 2.105 308 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 308 R C 2.052 178.349 176.300 -0.006 0.000 1.135 308 R CA 2.115 58.157 56.100 -0.096 0.000 0.967 308 R CB -0.359 29.894 30.300 -0.078 0.000 0.861 308 R HN 0.573 nan 8.270 nan 0.000 0.442 309 E N -0.305 119.865 120.200 -0.049 0.000 2.077 309 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 309 E C 1.821 178.443 176.600 0.038 0.000 0.989 309 E CA 1.467 57.866 56.400 -0.001 0.000 0.800 309 E CB 0.161 29.853 29.700 -0.013 0.000 0.746 309 E HN 0.209 nan 8.360 nan 0.000 0.452 310 V N 0.378 120.311 119.914 0.033 0.000 2.307 310 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 310 V C 2.416 178.598 176.094 0.147 0.000 1.045 310 V CA 1.339 63.697 62.300 0.096 0.000 1.024 310 V CB -0.301 31.615 31.823 0.155 0.000 0.651 310 V HN 0.196 nan 8.190 nan 0.000 0.449 311 V N -0.161 119.855 119.914 0.170 0.000 2.287 311 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 311 V C 2.642 178.896 176.094 0.268 0.000 1.053 311 V CA 1.996 64.488 62.300 0.321 0.000 1.027 311 V CB -0.612 31.404 31.823 0.321 0.000 0.646 311 V HN 0.540 nan 8.190 nan 0.000 0.447 312 E N 0.435 120.732 120.200 0.162 0.000 2.106 312 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 312 E C 2.366 179.030 176.600 0.108 0.000 0.984 312 E CA 1.403 57.872 56.400 0.116 0.000 0.806 312 E CB -0.334 29.412 29.700 0.076 0.000 0.750 312 E HN 0.775 nan 8.360 nan 0.000 0.458 313 R N 0.728 121.288 120.500 0.100 0.000 2.115 313 R HA 0.035 4.375 4.340 -0.000 0.000 0.230 313 R C 1.740 178.100 176.300 0.100 0.000 1.111 313 R CA 1.246 57.396 56.100 0.083 0.000 0.976 313 R CB -0.288 30.051 30.300 0.064 0.000 0.870 313 R HN 0.040 nan 8.270 nan 0.000 0.445 314 N N 0.906 119.690 118.700 0.140 0.000 2.300 314 N HA -0.026 4.714 4.740 -0.000 0.000 0.179 314 N C 1.705 177.341 175.510 0.209 0.000 1.016 314 N CA 0.803 53.936 53.050 0.138 0.000 0.876 314 N CB -0.027 38.484 38.487 0.040 0.000 0.979 314 N HN 0.348 nan 8.380 nan 0.000 0.432 315 R N 1.101 121.757 120.500 0.260 0.000 2.075 315 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 315 R C 2.270 178.626 176.300 0.094 0.000 1.126 315 R CA 1.125 57.328 56.100 0.172 0.000 0.963 315 R CB -0.301 30.064 30.300 0.110 0.000 0.858 315 R HN 0.130 nan 8.270 nan 0.000 0.435 316 A N 1.423 124.291 122.820 0.080 0.000 1.940 316 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 316 A C 2.241 179.851 177.584 0.043 0.000 1.176 316 A CA 1.796 53.864 52.037 0.051 0.000 0.631 316 A CB -0.491 18.537 19.000 0.046 0.000 0.814 316 A HN 0.403 nan 8.150 nan 0.000 0.446 317 A N -1.997 120.855 122.820 0.052 0.000 2.235 317 A HA 0.197 4.517 4.320 -0.000 0.000 0.208 317 A C 0.841 178.438 177.584 0.022 0.000 1.172 317 A CA 0.926 52.984 52.037 0.035 0.000 0.786 317 A CB -0.167 18.855 19.000 0.037 0.000 0.804 317 A HN 0.505 nan 8.150 nan 0.000 0.479 318 Q N -2.137 117.683 119.800 0.033 0.000 2.487 318 Q HA -0.204 4.136 4.340 -0.000 0.000 0.279 318 Q C -0.304 175.690 176.000 -0.010 0.000 1.228 318 Q CA 0.686 56.497 55.803 0.013 0.000 0.873 318 Q CB -2.507 26.229 28.738 -0.004 0.000 1.260 318 Q HN 0.558 nan 8.270 nan 0.000 0.471 319 L N 1.368 122.602 121.223 0.019 0.000 2.367 319 L HA 0.317 4.657 4.340 -0.000 0.000 0.275 319 L C -1.956 174.898 176.870 -0.027 0.000 1.129 319 L CA -1.134 53.686 54.840 -0.035 0.000 0.839 319 L CB 0.555 42.604 42.059 -0.017 0.000 1.133 319 L HN -0.153 nan 8.230 nan 0.000 0.453 320 P HA 0.081 nan 4.420 nan 0.000 0.267 320 P C -1.798 175.530 177.300 0.045 0.000 1.209 320 P CA 0.483 63.340 63.100 -0.404 0.000 0.763 320 P CB 0.130 31.166 31.700 -1.105 0.000 0.816 321 Y N 2.887 123.242 120.300 0.092 0.000 2.265 321 Y HA 0.203 4.753 4.550 -0.000 0.000 0.324 321 Y C -0.484 175.526 175.900 0.182 0.000 1.197 321 Y CA -0.975 57.289 58.100 0.273 0.000 1.318 321 Y CB 0.233 38.823 38.460 0.216 0.000 1.223 321 Y HN 0.240 nan 8.280 nan 0.000 0.419 322 D N 2.654 123.250 120.400 0.326 0.000 2.277 322 D HA 0.235 4.875 4.640 -0.000 0.000 0.209 322 D C -0.306 175.934 176.300 -0.100 0.000 0.970 322 D CA 1.309 55.356 54.000 0.078 0.000 0.874 322 D CB 0.789 41.672 40.800 0.138 0.000 0.982 322 D HN 0.158 nan 8.370 nan 0.000 0.504 323 V N 0.870 120.749 119.914 -0.060 0.000 2.638 323 V HA 0.429 4.549 4.120 -0.000 0.000 0.306 323 V C -0.809 175.403 176.094 0.197 0.000 1.052 323 V CA -1.002 61.251 62.300 -0.079 0.000 0.885 323 V CB 1.929 33.575 31.823 -0.296 0.000 0.999 323 V HN -0.180 nan 8.190 nan 0.000 0.424 324 Q N 2.898 122.823 119.800 0.209 0.000 2.322 324 Q HA 0.443 4.783 4.340 -0.000 0.000 0.265 324 Q C -0.795 175.468 176.000 0.439 0.000 0.985 324 Q CA -0.156 55.870 55.803 0.372 0.000 0.849 324 Q CB 0.968 29.887 28.738 0.302 0.000 1.274 324 Q HN 0.831 nan 8.270 nan 0.000 0.449 325 H N 1.363 120.613 119.070 0.300 0.000 2.483 325 H HA 0.788 5.344 4.556 -0.000 0.000 0.338 325 H C -1.023 174.598 175.328 0.488 0.000 1.152 325 H CA -0.816 55.451 56.048 0.366 0.000 1.264 325 H CB 1.808 31.723 29.762 0.255 0.000 1.510 325 H HN 0.703 nan 8.280 nan 0.000 0.530 326 A N 2.769 125.953 122.820 0.605 0.000 2.335 326 A HA 0.211 4.530 4.320 -0.000 0.000 0.304 326 A C -0.557 177.381 177.584 0.590 0.000 1.118 326 A CA -0.727 51.667 52.037 0.595 0.000 0.757 326 A CB 1.301 20.604 19.000 0.505 0.000 1.188 326 A HN 0.707 nan 8.150 nan 0.000 0.460 327 D N 1.221 121.902 120.400 0.468 0.000 2.511 327 D HA 0.282 4.922 4.640 -0.000 0.000 0.276 327 D C 1.802 178.039 176.300 -0.104 0.000 1.220 327 D CA -0.239 53.850 54.000 0.149 0.000 1.077 327 D CB 0.856 41.788 40.800 0.219 0.000 1.126 327 D HN 0.513 nan 8.370 nan 0.000 0.583 328 I N -1.106 119.233 120.570 -0.385 0.000 2.700 328 I HA -0.164 4.006 4.170 -0.000 0.000 0.261 328 I C 1.155 176.978 176.117 -0.491 0.000 1.219 328 I CA 0.969 61.919 61.300 -0.584 0.000 1.463 328 I CB -0.433 37.152 38.000 -0.692 0.000 1.092 328 I HN 0.187 nan 8.210 nan 0.000 0.452 329 D N 1.966 122.220 120.400 -0.244 0.000 2.309 329 D HA -0.294 4.346 4.640 -0.000 0.000 0.212 329 D C 1.999 177.986 176.300 -0.520 0.000 0.968 329 D CA 1.432 55.325 54.000 -0.177 0.000 0.882 329 D CB -0.875 39.982 40.800 0.095 0.000 0.918 329 D HN 0.770 nan 8.370 nan 0.000 0.503 330 Y N 0.546 120.366 120.300 -0.800 0.000 2.439 330 Y HA 0.177 4.726 4.550 -0.000 0.000 0.292 330 Y C 1.310 176.820 175.900 -0.650 0.000 1.130 330 Y CA -0.579 56.621 58.100 -1.500 0.000 1.254 330 Y CB -0.648 37.087 38.460 -1.208 0.000 1.000 330 Y HN -0.199 nan 8.280 nan 0.000 0.554 331 M N 1.455 120.531 119.600 -0.872 0.000 2.202 331 M HA 0.056 4.536 4.480 -0.000 0.000 0.316 331 M C -0.322 175.852 176.300 -0.211 0.000 1.138 331 M CA -0.229 54.773 55.300 -0.498 0.000 1.151 331 M CB 0.263 32.494 32.600 -0.616 0.000 1.422 331 M HN 0.054 nan 8.290 nan 0.000 0.471 332 D N 2.307 122.645 120.400 -0.104 0.000 2.374 332 D HA 0.026 4.665 4.640 -0.000 0.000 0.240 332 D C -0.347 175.888 176.300 -0.109 0.000 1.229 332 D CA 0.348 54.309 54.000 -0.065 0.000 0.895 332 D CB 0.197 40.978 40.800 -0.031 0.000 1.046 332 D HN 0.532 nan 8.370 nan 0.000 0.498 333 E N 3.445 123.586 120.200 -0.100 0.000 2.416 333 E HA -0.286 4.064 4.350 -0.000 0.000 0.249 333 E C 0.031 176.556 176.600 -0.124 0.000 1.124 333 E CA 0.480 56.822 56.400 -0.097 0.000 0.732 333 E CB -1.419 28.226 29.700 -0.093 0.000 1.286 333 E HN 0.815 nan 8.360 nan 0.000 0.394 334 R N -1.641 118.757 120.500 -0.170 0.000 3.770 334 R HA -0.227 4.113 4.340 -0.000 0.000 0.305 334 R C 0.158 176.349 176.300 -0.183 0.000 1.184 334 R CA 1.345 57.333 56.100 -0.187 0.000 0.823 334 R CB -1.343 28.928 30.300 -0.048 0.000 1.285 334 R HN 0.260 nan 8.270 nan 0.000 0.499 335 R N 1.072 121.436 120.500 -0.226 0.000 2.346 335 R HA 0.166 4.506 4.340 -0.000 0.000 0.311 335 R C -0.270 175.919 176.300 -0.184 0.000 0.983 335 R CA -1.000 54.973 56.100 -0.211 0.000 0.880 335 R CB 0.968 31.067 30.300 -0.334 0.000 1.100 335 R HN -0.016 nan 8.270 nan 0.000 0.453 336 D N 2.170 122.477 120.400 -0.156 0.000 2.506 336 D HA -0.070 4.570 4.640 -0.000 0.000 0.234 336 D C 0.188 176.232 176.300 -0.425 0.000 1.143 336 D CA 0.941 54.634 54.000 -0.512 0.000 0.871 336 D CB 0.199 40.605 40.800 -0.657 0.000 1.190 336 D HN 0.402 nan 8.370 nan 0.000 0.459 337 F N -1.489 118.069 119.950 -0.653 0.000 3.043 337 F HA -0.240 4.287 4.527 -0.000 0.000 0.290 337 F C 0.675 176.113 175.800 -0.603 0.000 0.844 337 F CA 0.704 58.062 58.000 -1.071 0.000 1.184 337 F CB -2.596 36.061 39.000 -0.572 0.000 1.246 337 F HN 0.315 nan 8.300 nan 0.000 0.536 338 T N -2.289 112.087 114.554 -0.297 0.000 2.894 338 T HA 0.748 5.098 4.350 -0.000 0.000 0.309 338 T C -0.859 174.093 174.700 0.421 0.000 1.208 338 T CA -0.654 61.542 62.100 0.160 0.000 1.016 338 T CB 2.947 71.879 68.868 0.106 0.000 1.192 338 T HN 0.573 nan 8.240 nan 0.000 0.491 339 Y N -0.542 120.028 120.300 0.451 0.000 2.562 339 Y HA 0.728 5.277 4.550 -0.000 0.000 0.343 339 Y C -0.477 175.540 175.900 0.196 0.000 1.025 339 Y CA -1.394 56.926 58.100 0.366 0.000 1.082 339 Y CB 1.241 40.023 38.460 0.535 0.000 1.264 339 Y HN 0.596 nan 8.280 nan 0.000 0.478 340 D N 1.986 122.542 120.400 0.259 0.000 2.348 340 D HA 0.014 4.654 4.640 -0.000 0.000 0.259 340 D C 1.061 177.504 176.300 0.239 0.000 1.296 340 D CA 0.592 54.696 54.000 0.173 0.000 0.931 340 D CB 0.962 41.883 40.800 0.201 0.000 1.067 340 D HN 0.776 nan 8.370 nan 0.000 0.503 341 S N 2.070 117.799 115.700 0.048 0.000 2.500 341 S HA -0.106 4.364 4.470 -0.000 0.000 0.239 341 S C 1.584 176.263 174.600 0.131 0.000 0.989 341 S CA 0.569 58.808 58.200 0.065 0.000 0.951 341 S CB 0.127 63.302 63.200 -0.041 0.000 0.759 341 S HN 0.305 nan 8.310 nan 0.000 0.523 342 V N 1.768 121.750 119.914 0.113 0.000 2.502 342 V HA 0.038 4.158 4.120 -0.000 0.000 0.234 342 V C 2.212 178.356 176.094 0.083 0.000 1.072 342 V CA 1.321 63.672 62.300 0.084 0.000 1.094 342 V CB -0.705 31.149 31.823 0.051 0.000 0.761 342 V HN 0.331 nan 8.190 nan 0.000 0.489 343 D N -0.257 120.203 120.400 0.101 0.000 2.219 343 D HA -0.057 4.582 4.640 -0.000 0.000 0.205 343 D C 1.033 177.276 176.300 -0.095 0.000 0.970 343 D CA 1.290 55.309 54.000 0.032 0.000 0.851 343 D CB -0.031 40.831 40.800 0.104 0.000 0.943 343 D HN 0.433 nan 8.370 nan 0.000 0.488 344 F N 0.627 120.594 119.950 0.028 0.000 2.850 344 F HA 0.191 4.718 4.527 -0.000 0.000 0.306 344 F C 0.777 176.685 175.800 0.180 0.000 1.162 344 F CA -0.725 57.276 58.000 0.002 0.000 1.327 344 F CB 0.205 39.121 39.000 -0.140 0.000 0.953 344 F HN -0.382 nan 8.300 nan 0.000 0.507 345 K N 0.562 121.102 120.400 0.234 0.000 2.447 345 K HA 0.320 4.640 4.320 -0.000 0.000 0.281 345 K C 1.201 177.911 176.600 0.183 0.000 1.031 345 K CA 1.149 57.583 56.287 0.246 0.000 1.019 345 K CB 0.108 32.686 32.500 0.131 0.000 0.918 345 K HN 0.540 nan 8.250 nan 0.000 0.476 346 G N 4.259 113.198 108.800 0.231 0.000 2.141 346 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.231 346 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.231 346 G C 0.317 175.318 174.900 0.169 0.000 0.984 346 G CA 0.045 45.235 45.100 0.150 0.000 0.660 346 G HN 0.674 nan 8.290 nan 0.000 0.525 347 F N 2.068 121.964 119.950 -0.090 0.000 2.091 347 F HA 0.017 4.543 4.527 -0.000 0.000 0.299 347 F C 0.469 176.162 175.800 -0.177 0.000 1.103 347 F CA 1.894 59.781 58.000 -0.188 0.000 1.228 347 F CB -1.267 37.398 39.000 -0.559 0.000 0.984 347 F HN 0.263 nan 8.300 nan 0.000 0.477 348 P HA -0.177 nan 4.420 nan 0.000 0.216 348 P C 1.329 178.525 177.300 -0.174 0.000 1.150 348 P CA 2.027 64.973 63.100 -0.257 0.000 0.843 348 P CB -0.046 31.570 31.700 -0.140 0.000 0.787 349 E N -1.693 118.471 120.200 -0.058 0.000 2.106 349 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 349 E C 1.684 178.263 176.600 -0.035 0.000 0.984 349 E CA 0.748 57.125 56.400 -0.038 0.000 0.806 349 E CB -0.951 28.759 29.700 0.016 0.000 0.750 349 E HN 0.223 nan 8.360 nan 0.000 0.458 350 F N 0.557 120.433 119.950 -0.122 0.000 2.134 350 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 350 F C 1.859 177.513 175.800 -0.244 0.000 1.097 350 F CA 0.967 58.897 58.000 -0.117 0.000 1.264 350 F CB -0.222 38.789 39.000 0.019 0.000 1.001 350 F HN -0.156 nan 8.300 nan 0.000 0.479 351 V N 0.927 120.562 119.914 -0.466 0.000 2.407 351 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 351 V C 2.161 177.793 176.094 -0.770 0.000 1.055 351 V CA 2.023 63.873 62.300 -0.750 0.000 1.049 351 V CB -0.946 30.447 31.823 -0.716 0.000 0.662 351 V HN 0.339 nan 8.190 nan 0.000 0.455 352 N N 0.440 118.868 118.700 -0.454 0.000 2.120 352 N HA -0.168 4.571 4.740 -0.000 0.000 0.188 352 N C 1.832 177.167 175.510 -0.291 0.000 1.024 352 N CA 1.555 54.428 53.050 -0.296 0.000 0.852 352 N CB -0.308 38.076 38.487 -0.172 0.000 1.003 352 N HN 0.613 nan 8.380 nan 0.000 0.424 353 E N 0.613 120.619 120.200 -0.324 0.000 2.051 353 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 353 E C 2.065 178.433 176.600 -0.386 0.000 0.991 353 E CA 0.632 56.855 56.400 -0.295 0.000 0.799 353 E CB -0.189 29.360 29.700 -0.251 0.000 0.748 353 E HN 0.279 nan 8.360 nan 0.000 0.449 354 L N 0.308 121.156 121.223 -0.624 0.000 1.989 354 L HA -0.252 4.088 4.340 -0.000 0.000 0.211 354 L C 2.431 179.102 176.870 -0.332 0.000 1.071 354 L CA 1.720 56.218 54.840 -0.569 0.000 0.749 354 L CB -0.637 40.982 42.059 -0.733 0.000 0.890 354 L HN 0.295 nan 8.230 nan 0.000 0.431 355 H N -0.831 118.037 119.070 -0.338 0.000 2.387 355 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 355 H C 1.898 177.094 175.328 -0.220 0.000 1.090 355 H CA 1.005 56.887 56.048 -0.277 0.000 1.332 355 H CB 0.130 29.739 29.762 -0.255 0.000 1.386 355 H HN 0.357 nan 8.280 nan 0.000 0.516 356 N N 0.582 119.233 118.700 -0.082 0.000 2.396 356 N HA -0.085 4.655 4.740 -0.000 0.000 0.180 356 N C 0.662 176.113 175.510 -0.099 0.000 1.028 356 N CA 0.746 53.743 53.050 -0.088 0.000 0.893 356 N CB -0.129 38.304 38.487 -0.090 0.000 0.967 356 N HN 0.484 nan 8.380 nan 0.000 0.440 357 N N -0.300 118.321 118.700 -0.131 0.000 2.322 357 N HA 0.140 4.880 4.740 -0.000 0.000 0.194 357 N C 0.543 175.979 175.510 -0.123 0.000 1.126 357 N CA 0.256 53.231 53.050 -0.126 0.000 0.845 357 N CB 0.487 38.881 38.487 -0.155 0.000 0.976 357 N HN 0.135 nan 8.380 nan 0.000 0.475 358 G N 0.787 109.513 108.800 -0.122 0.000 2.160 358 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 358 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 358 G C -0.140 174.664 174.900 -0.159 0.000 1.022 358 G CA 0.007 45.036 45.100 -0.120 0.000 0.741 358 G HN 0.346 nan 8.290 nan 0.000 0.508 359 Q N -0.928 118.751 119.800 -0.201 0.000 2.333 359 Q HA 0.765 5.105 4.340 -0.000 0.000 0.266 359 Q C -0.141 175.697 176.000 -0.269 0.000 1.053 359 Q CA -0.920 54.725 55.803 -0.263 0.000 0.890 359 Q CB 1.407 29.936 28.738 -0.348 0.000 1.337 359 Q HN 0.107 nan 8.270 nan 0.000 0.474 360 K N 0.818 121.013 120.400 -0.342 0.000 2.443 360 K HA 0.536 4.855 4.320 -0.000 0.000 0.251 360 K C -1.508 174.934 176.600 -0.263 0.000 0.972 360 K CA -0.933 55.096 56.287 -0.430 0.000 0.833 360 K CB 1.980 33.871 32.500 -1.016 0.000 1.317 360 K HN 0.378 nan 8.250 nan 0.000 0.441 361 L N 1.353 122.475 121.223 -0.167 0.000 2.333 361 L HA 0.442 4.782 4.340 -0.000 0.000 0.280 361 L C -1.347 175.564 176.870 0.068 0.000 1.004 361 L CA -0.657 54.158 54.840 -0.041 0.000 0.820 361 L CB 1.800 43.803 42.059 -0.092 0.000 1.247 361 L HN 0.301 nan 8.230 nan 0.000 0.416 362 V N 6.355 126.310 119.914 0.069 0.000 2.459 362 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 362 V C 0.019 176.215 176.094 0.170 0.000 1.029 362 V CA -0.525 61.834 62.300 0.099 0.000 0.874 362 V CB 1.642 33.342 31.823 -0.206 0.000 0.985 362 V HN 0.745 nan 8.190 nan 0.000 0.438 363 I N 2.788 123.480 120.570 0.204 0.000 2.493 363 I HA 0.644 4.814 4.170 -0.000 0.000 0.298 363 I C -0.233 176.040 176.117 0.260 0.000 0.998 363 I CA -0.693 60.725 61.300 0.197 0.000 1.137 363 I CB 1.791 39.760 38.000 -0.052 0.000 1.310 363 I HN 0.532 nan 8.210 nan 0.000 0.445 364 I N 5.645 126.360 120.570 0.243 0.000 2.575 364 I HA 0.366 4.535 4.170 -0.000 0.000 0.285 364 I C -0.775 175.307 176.117 -0.059 0.000 1.085 364 I CA -0.148 61.064 61.300 -0.147 0.000 1.403 364 I CB 1.027 38.565 38.000 -0.770 0.000 1.409 364 I HN 0.460 nan 8.210 nan 0.000 0.557 365 V N 6.542 126.407 119.914 -0.081 0.000 2.686 365 V HA 0.394 4.514 4.120 -0.000 0.000 0.306 365 V C -0.844 175.285 176.094 0.059 0.000 1.065 365 V CA -0.906 61.360 62.300 -0.057 0.000 0.894 365 V CB 1.897 33.762 31.823 0.070 0.000 1.004 365 V HN 0.622 nan 8.190 nan 0.000 0.424 366 D N 5.454 125.886 120.400 0.053 0.000 2.217 366 D HA 0.402 5.042 4.640 -0.000 0.000 0.248 366 D C -1.667 174.818 176.300 0.309 0.000 1.008 366 D CA -1.502 52.589 54.000 0.152 0.000 0.914 366 D CB 2.576 43.447 40.800 0.119 0.000 1.182 366 D HN 0.228 nan 8.370 nan 0.000 0.451 367 P HA -0.041 nan 4.420 nan 0.000 0.217 367 P C 0.126 177.639 177.300 0.355 0.000 1.151 367 P CA 0.719 64.089 63.100 0.449 0.000 0.828 367 P CB 0.225 32.261 31.700 0.560 0.000 0.788 368 A N 0.760 123.670 122.820 0.150 0.000 2.401 368 A HA 0.395 4.715 4.320 -0.000 0.000 0.259 368 A C 0.116 177.656 177.584 -0.074 0.000 1.103 368 A CA 0.031 51.965 52.037 -0.171 0.000 0.789 368 A CB -0.352 18.421 19.000 -0.378 0.000 1.035 368 A HN -0.037 nan 8.150 nan 0.000 0.491 369 I N 2.153 122.635 120.570 -0.148 0.000 2.389 369 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 369 I C 0.869 176.911 176.117 -0.124 0.000 0.999 369 I CA -0.158 61.191 61.300 0.082 0.000 1.129 369 I CB 1.279 39.480 38.000 0.336 0.000 1.288 369 I HN 0.678 nan 8.210 nan 0.000 0.444 370 S N 5.253 120.905 115.700 -0.079 0.000 2.575 370 S HA -0.052 4.418 4.470 -0.000 0.000 0.295 370 S C 1.195 175.575 174.600 -0.367 0.000 1.267 370 S CA -0.212 57.815 58.200 -0.289 0.000 1.074 370 S CB -0.061 62.853 63.200 -0.476 0.000 0.829 370 S HN 0.669 nan 8.310 nan 0.000 0.497 371 N N 3.955 122.291 118.700 -0.607 0.000 2.362 371 N HA -0.020 4.720 4.740 -0.000 0.000 0.204 371 N C -0.346 174.646 175.510 -0.864 0.000 1.166 371 N CA -0.129 52.204 53.050 -1.196 0.000 0.831 371 N CB -0.409 37.536 38.487 -0.902 0.000 1.008 371 N HN 0.427 nan 8.380 nan 0.000 0.472 372 N N 0.381 118.791 118.700 -0.482 0.000 2.645 372 N HA 0.151 4.890 4.740 -0.000 0.000 0.233 372 N C -1.651 173.780 175.510 -0.131 0.000 1.058 372 N CA -0.085 52.801 53.050 -0.274 0.000 0.942 372 N CB 0.408 38.760 38.487 -0.225 0.000 1.210 372 N HN 0.133 nan 8.380 nan 0.000 0.512 373 S N 1.381 117.047 115.700 -0.057 0.000 2.575 373 S HA 0.716 5.186 4.470 -0.000 0.000 0.278 373 S C -0.957 173.694 174.600 0.086 0.000 1.139 373 S CA -0.509 57.757 58.200 0.109 0.000 0.954 373 S CB 0.534 63.916 63.200 0.305 0.000 1.054 373 S HN 0.593 nan 8.310 nan 0.000 0.483 374 S N 2.674 118.423 115.700 0.081 0.000 2.806 374 S HA 0.586 5.056 4.470 -0.000 0.000 0.306 374 S C 0.683 175.322 174.600 0.065 0.000 1.167 374 S CA -0.584 57.653 58.200 0.061 0.000 0.847 374 S CB 1.034 64.254 63.200 0.033 0.000 1.216 374 S HN 0.472 nan 8.310 nan 0.000 0.532 375 S N 1.067 116.797 115.700 0.050 0.000 2.395 375 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 375 S C 2.080 176.704 174.600 0.040 0.000 1.027 375 S CA 1.208 59.435 58.200 0.045 0.000 0.965 375 S CB -0.604 62.617 63.200 0.036 0.000 0.812 375 S HN 0.768 nan 8.310 nan 0.000 0.482 376 S N 1.175 116.895 115.700 0.033 0.000 2.351 376 S HA -0.052 4.418 4.470 -0.000 0.000 0.220 376 S C 0.644 175.265 174.600 0.035 0.000 1.035 376 S CA 1.215 59.431 58.200 0.028 0.000 1.031 376 S CB -0.080 63.131 63.200 0.020 0.000 0.928 376 S HN 0.204 nan 8.310 nan 0.000 0.433 377 K N 2.263 122.687 120.400 0.040 0.000 2.540 377 K HA 0.508 4.828 4.320 -0.000 0.000 0.218 377 K C -3.008 173.642 176.600 0.083 0.000 1.017 377 K CA -2.527 53.790 56.287 0.051 0.000 1.029 377 K CB 1.699 34.218 32.500 0.031 0.000 1.348 377 K HN 0.257 nan 8.250 nan 0.000 0.508 378 P HA 0.036 nan 4.420 nan 0.000 0.275 378 P C -1.282 176.148 177.300 0.217 0.000 1.227 378 P CA -0.337 62.847 63.100 0.140 0.000 0.781 378 P CB 0.399 32.161 31.700 0.104 0.000 0.906 379 Y N 2.159 122.525 120.300 0.110 0.000 2.402 379 Y HA 0.473 5.023 4.550 -0.000 0.000 0.332 379 Y C 1.405 177.421 175.900 0.195 0.000 0.960 379 Y CA -0.329 57.850 58.100 0.131 0.000 1.228 379 Y CB 0.533 39.059 38.460 0.109 0.000 1.120 379 Y HN 0.539 nan 8.280 nan 0.000 0.491 380 G N 5.851 114.564 108.800 -0.146 0.000 2.446 380 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 380 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 380 G C -0.885 173.938 174.900 -0.128 0.000 1.168 380 G CA 0.679 45.714 45.100 -0.109 0.000 0.771 380 G HN 0.556 nan 8.290 nan 0.000 0.551 381 P HA -0.164 nan 4.420 nan 0.000 0.215 381 P C 1.444 178.986 177.300 0.403 0.000 1.153 381 P CA 0.977 64.111 63.100 0.058 0.000 0.853 381 P CB -0.130 31.568 31.700 -0.003 0.000 0.788 382 Y N 0.960 121.339 120.300 0.132 0.000 2.145 382 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 382 Y C 1.840 177.935 175.900 0.325 0.000 1.145 382 Y CA 1.743 60.064 58.100 0.368 0.000 1.148 382 Y CB -0.945 37.701 38.460 0.310 0.000 0.981 382 Y HN -0.120 nan 8.280 nan 0.000 0.507 383 D N -0.095 120.394 120.400 0.148 0.000 2.092 383 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 383 D C 2.301 178.579 176.300 -0.037 0.000 0.994 383 D CA 1.728 55.743 54.000 0.026 0.000 0.828 383 D CB -0.325 40.525 40.800 0.083 0.000 0.963 383 D HN 0.388 nan 8.370 nan 0.000 0.450 384 R N 0.193 120.717 120.500 0.039 0.000 2.092 384 R HA -0.017 4.323 4.340 -0.000 0.000 0.231 384 R C 2.439 178.674 176.300 -0.110 0.000 1.119 384 R CA 1.165 57.291 56.100 0.044 0.000 0.970 384 R CB -0.532 29.862 30.300 0.157 0.000 0.864 384 R HN 0.169 nan 8.270 nan 0.000 0.440 385 G N 0.218 108.858 108.800 -0.267 0.000 2.422 385 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 385 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 385 G C 1.410 175.663 174.900 -1.079 0.000 1.146 385 G CA 0.833 45.144 45.100 -1.315 0.000 0.769 385 G HN 0.232 nan 8.290 nan 0.000 0.547 386 S N 0.956 116.385 115.700 -0.451 0.000 2.368 386 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 386 S C 1.977 176.417 174.600 -0.267 0.000 1.029 386 S CA 1.252 59.292 58.200 -0.267 0.000 0.988 386 S CB -0.255 62.782 63.200 -0.272 0.000 0.838 386 S HN 0.322 nan 8.310 nan 0.000 0.462 387 D N 1.498 121.766 120.400 -0.220 0.000 2.149 387 D HA -0.047 4.593 4.640 -0.000 0.000 0.198 387 D C 1.654 177.839 176.300 -0.192 0.000 0.990 387 D CA 1.120 55.026 54.000 -0.156 0.000 0.839 387 D CB -0.242 40.497 40.800 -0.102 0.000 0.948 387 D HN 0.366 nan 8.370 nan 0.000 0.460 388 M N -0.521 118.911 119.600 -0.281 0.000 2.558 388 M HA 0.032 4.512 4.480 -0.000 0.000 0.255 388 M C -0.047 176.036 176.300 -0.362 0.000 1.113 388 M CA 0.360 55.489 55.300 -0.285 0.000 1.097 388 M CB 0.178 32.616 32.600 -0.269 0.000 1.426 388 M HN -0.173 nan 8.290 nan 0.000 0.488 389 K N 0.725 120.849 120.400 -0.460 0.000 3.125 389 K HA -0.174 4.146 4.320 -0.000 0.000 0.268 389 K C -0.016 176.268 176.600 -0.526 0.000 1.078 389 K CA 0.246 56.278 56.287 -0.425 0.000 0.775 389 K CB -1.969 30.399 32.500 -0.221 0.000 1.253 389 K HN 0.412 nan 8.250 nan 0.000 0.486 390 I N -3.564 116.457 120.570 -0.916 0.000 3.891 390 I HA 0.199 4.369 4.170 -0.000 0.000 0.331 390 I C 0.318 176.009 176.117 -0.710 0.000 1.406 390 I CA -0.479 60.339 61.300 -0.802 0.000 1.139 390 I CB -0.182 37.311 38.000 -0.845 0.000 1.056 390 I HN 0.152 nan 8.210 nan 0.000 0.399 391 W N 0.139 121.264 121.300 -0.292 0.000 2.283 391 W HA 0.608 5.267 4.660 -0.000 0.000 0.341 391 W C 0.166 176.623 176.519 -0.102 0.000 1.206 391 W CA -1.438 55.784 57.345 -0.204 0.000 1.294 391 W CB 0.592 29.968 29.460 -0.139 0.000 1.154 391 W HN -0.320 nan 8.180 nan 0.000 0.613 392 V N 3.435 123.505 119.914 0.258 0.000 2.585 392 V HA -0.044 4.076 4.120 -0.000 0.000 0.296 392 V C 0.135 176.329 176.094 0.167 0.000 1.035 392 V CA -0.234 62.173 62.300 0.178 0.000 1.084 392 V CB -0.437 31.505 31.823 0.198 0.000 0.953 392 V HN 0.439 nan 8.190 nan 0.000 0.483 393 N N 2.528 121.295 118.700 0.112 0.000 2.466 393 N HA 0.402 5.141 4.740 -0.000 0.000 0.294 393 N C 0.029 175.577 175.510 0.064 0.000 1.129 393 N CA -0.417 52.686 53.050 0.090 0.000 0.931 393 N CB 1.502 40.031 38.487 0.070 0.000 1.193 393 N HN 0.679 nan 8.380 nan 0.000 0.500 394 S N -0.125 115.604 115.700 0.049 0.000 2.598 394 S HA -0.016 4.454 4.470 -0.000 0.000 0.256 394 S C 1.471 176.085 174.600 0.024 0.000 1.350 394 S CA -0.435 57.781 58.200 0.027 0.000 0.984 394 S CB 0.234 63.442 63.200 0.014 0.000 0.930 394 S HN 0.679 nan 8.310 nan 0.000 0.577 395 S N 0.690 116.396 115.700 0.011 0.000 2.493 395 S HA -0.177 4.292 4.470 -0.000 0.000 0.243 395 S C 1.166 175.774 174.600 0.013 0.000 0.991 395 S CA 1.225 59.431 58.200 0.011 0.000 0.957 395 S CB -0.722 62.478 63.200 -0.001 0.000 0.756 395 S HN 0.842 nan 8.310 nan 0.000 0.521 396 D N 1.131 121.539 120.400 0.013 0.000 2.348 396 D HA 0.113 4.753 4.640 -0.000 0.000 0.216 396 D C 1.561 177.873 176.300 0.020 0.000 0.970 396 D CA 0.822 54.830 54.000 0.014 0.000 0.889 396 D CB -1.142 39.665 40.800 0.012 0.000 0.912 396 D HN 0.615 nan 8.370 nan 0.000 0.524 397 G N -0.435 108.381 108.800 0.027 0.000 2.184 397 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 397 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 397 G C 0.934 175.853 174.900 0.032 0.000 0.975 397 G CA 1.366 46.486 45.100 0.032 0.000 0.642 397 G HN 1.103 nan 8.290 nan 0.000 0.536 398 V N -4.697 115.236 119.914 0.032 0.000 3.332 398 V HA 0.441 4.561 4.120 -0.000 0.000 0.263 398 V C 0.749 176.868 176.094 0.041 0.000 1.562 398 V CA 1.108 63.427 62.300 0.031 0.000 1.040 398 V CB 0.483 32.319 31.823 0.022 0.000 0.857 398 V HN 0.360 nan 8.190 nan 0.000 0.428 399 T N 4.189 118.768 114.554 0.042 0.000 2.743 399 T HA 0.516 4.866 4.350 -0.000 0.000 0.293 399 T C -2.700 172.040 174.700 0.067 0.000 0.945 399 T CA -1.007 61.122 62.100 0.049 0.000 1.030 399 T CB 1.243 70.130 68.868 0.032 0.000 0.912 399 T HN 0.252 nan 8.240 nan 0.000 0.483 400 P HA 0.063 nan 4.420 nan 0.000 0.264 400 P C -0.122 177.217 177.300 0.066 0.000 1.183 400 P CA -0.374 62.795 63.100 0.115 0.000 0.763 400 P CB 0.444 32.211 31.700 0.111 0.000 0.807 401 L N 4.481 125.760 121.223 0.094 0.000 2.380 401 L HA 0.263 4.602 4.340 -0.000 0.000 0.273 401 L C -0.349 176.588 176.870 0.111 0.000 1.138 401 L CA -0.085 54.809 54.840 0.089 0.000 0.832 401 L CB 0.114 42.227 42.059 0.089 0.000 1.124 401 L HN 0.199 nan 8.230 nan 0.000 0.454 402 I N 5.088 125.699 120.570 0.069 0.000 2.354 402 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 402 I C 0.632 176.824 176.117 0.125 0.000 0.989 402 I CA -0.160 61.163 61.300 0.040 0.000 1.188 402 I CB 0.670 38.647 38.000 -0.038 0.000 1.342 402 I HN 0.747 nan 8.210 nan 0.000 0.457 403 G N 4.930 113.859 108.800 0.214 0.000 3.257 403 G HA2 0.574 4.534 3.960 -0.000 0.000 0.205 403 G HA3 0.574 4.534 3.960 -0.000 0.000 0.205 403 G C -1.249 173.676 174.900 0.041 0.000 1.234 403 G CA -0.290 44.950 45.100 0.234 0.000 0.918 403 G HN 0.549 nan 8.290 nan 0.000 0.602 404 E N -0.813 119.404 120.200 0.027 0.000 2.287 404 E HA 0.528 4.878 4.350 -0.000 0.000 0.274 404 E C -1.125 175.266 176.600 -0.349 0.000 0.896 404 E CA -0.558 55.781 56.400 -0.102 0.000 0.788 404 E CB 2.087 31.793 29.700 0.011 0.000 1.244 404 E HN 0.296 nan 8.360 nan 0.000 0.408 405 V N 2.834 122.434 119.914 -0.523 0.000 4.504 405 V HA 0.322 4.441 4.120 -0.000 0.000 0.298 405 V C 0.786 176.517 176.094 -0.605 0.000 1.446 405 V CA -0.838 60.766 62.300 -1.159 0.000 0.890 405 V CB -0.051 31.206 31.823 -0.943 0.000 1.281 405 V HN 0.887 nan 8.190 nan 0.000 0.461 406 W N 1.048 122.189 121.300 -0.265 0.000 2.321 406 W HA -0.062 4.597 4.660 -0.000 0.000 0.306 406 W C -0.332 176.167 176.519 -0.033 0.000 1.217 406 W CA 1.901 59.260 57.345 0.023 0.000 1.257 406 W CB -1.381 28.069 29.460 -0.017 0.000 1.145 406 W HN 0.502 nan 8.180 nan 0.000 0.509 407 P HA 0.270 nan 4.420 nan 0.000 0.245 407 P C 0.698 177.956 177.300 -0.070 0.000 1.206 407 P CA 1.753 64.835 63.100 -0.030 0.000 0.781 407 P CB 0.722 32.337 31.700 -0.142 0.000 0.994 408 G N -0.303 108.456 108.800 -0.069 0.000 2.255 408 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 408 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 408 G C -1.293 173.520 174.900 -0.144 0.000 1.307 408 G CA -0.837 44.214 45.100 -0.082 0.000 1.162 408 G HN 0.169 nan 8.290 nan 0.000 0.494 409 Q N 1.044 120.753 119.800 -0.151 0.000 2.315 409 Q HA 0.446 4.786 4.340 -0.000 0.000 0.289 409 Q C 0.384 176.209 176.000 -0.290 0.000 1.044 409 Q CA 1.284 56.975 55.803 -0.187 0.000 0.920 409 Q CB 0.600 29.237 28.738 -0.169 0.000 1.214 409 Q HN 0.925 nan 8.270 nan 0.000 0.392 410 T N -2.093 112.245 114.554 -0.360 0.000 2.883 410 T HA 0.668 5.018 4.350 -0.000 0.000 0.301 410 T C -0.332 173.964 174.700 -0.673 0.000 1.158 410 T CA -0.954 60.815 62.100 -0.551 0.000 1.007 410 T CB 1.203 69.647 68.868 -0.707 0.000 1.186 410 T HN 0.396 nan 8.240 nan 0.000 0.499 411 V N -1.000 118.442 119.914 -0.786 0.000 2.994 411 V HA 0.908 5.028 4.120 -0.000 0.000 0.318 411 V C -1.176 174.395 176.094 -0.872 0.000 1.085 411 V CA -1.358 60.479 62.300 -0.772 0.000 0.998 411 V CB 1.130 32.316 31.823 -1.062 0.000 1.063 411 V HN 0.868 nan 8.190 nan 0.000 0.447 412 F N 0.839 120.726 119.950 -0.106 0.000 2.493 412 F HA 0.680 5.206 4.527 -0.000 0.000 0.329 412 F C -2.455 173.483 175.800 0.229 0.000 1.126 412 F CA -2.569 55.479 58.000 0.080 0.000 0.937 412 F CB 1.933 40.953 39.000 0.034 0.000 1.146 412 F HN 0.300 nan 8.300 nan 0.000 0.442 413 P HA -0.028 nan 4.420 nan 0.000 0.266 413 P C -0.621 176.488 177.300 -0.318 0.000 1.195 413 P CA 0.014 62.999 63.100 -0.192 0.000 0.768 413 P CB 0.623 31.873 31.700 -0.750 0.000 0.838 414 D N 2.066 122.251 120.400 -0.357 0.000 2.524 414 D HA 0.077 4.717 4.640 -0.000 0.000 0.222 414 D C 0.057 176.091 176.300 -0.443 0.000 1.142 414 D CA -0.378 53.443 54.000 -0.299 0.000 0.973 414 D CB -0.458 40.246 40.800 -0.161 0.000 1.025 414 D HN 0.238 nan 8.370 nan 0.000 0.519 415 Y N 0.851 120.886 120.300 -0.441 0.000 2.680 415 Y HA -0.080 4.470 4.550 -0.000 0.000 0.303 415 Y C 2.585 178.142 175.900 -0.572 0.000 1.166 415 Y CA 1.091 58.894 58.100 -0.494 0.000 1.344 415 Y CB -0.289 37.798 38.460 -0.620 0.000 1.002 415 Y HN 0.397 nan 8.280 nan 0.000 0.537 416 T N -2.800 111.413 114.554 -0.570 0.000 3.067 416 T HA -0.056 4.293 4.350 -0.000 0.000 0.261 416 T C 0.780 175.200 174.700 -0.466 0.000 1.110 416 T CA 0.088 61.604 62.100 -0.974 0.000 1.113 416 T CB -0.309 67.700 68.868 -1.432 0.000 0.917 416 T HN 0.076 nan 8.240 nan 0.000 0.499 417 N N 2.873 121.380 118.700 -0.322 0.000 2.411 417 N HA 0.204 4.944 4.740 -0.000 0.000 0.259 417 N C -1.595 173.758 175.510 -0.261 0.000 1.103 417 N CA -2.322 50.515 53.050 -0.356 0.000 0.954 417 N CB 1.741 40.042 38.487 -0.309 0.000 1.085 417 N HN 0.033 nan 8.380 nan 0.000 0.485 418 P HA -0.188 nan 4.420 nan 0.000 0.217 418 P C 0.857 178.108 177.300 -0.083 0.000 1.151 418 P CA 1.170 64.205 63.100 -0.109 0.000 0.849 418 P CB 0.382 32.036 31.700 -0.076 0.000 0.787 419 N N -0.763 117.862 118.700 -0.125 0.000 2.381 419 N HA -0.116 4.623 4.740 -0.000 0.000 0.182 419 N C 1.883 177.367 175.510 -0.045 0.000 1.025 419 N CA 0.620 53.618 53.050 -0.087 0.000 0.888 419 N CB -0.731 37.678 38.487 -0.130 0.000 0.965 419 N HN 0.168 nan 8.380 nan 0.000 0.438 420 C N 0.749 119.998 119.300 -0.085 0.000 2.429 420 C HA 0.040 4.500 4.460 -0.000 0.000 0.277 420 C C 2.788 177.923 174.990 0.243 0.000 1.262 420 C CA 1.227 60.239 59.018 -0.012 0.000 1.733 420 C CB -1.157 26.466 27.740 -0.195 0.000 2.010 420 C HN 0.480 nan 8.230 nan 0.000 0.483 421 A N -0.161 122.757 122.820 0.164 0.000 1.969 421 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 421 A C 2.277 179.998 177.584 0.228 0.000 1.169 421 A CA 2.072 54.261 52.037 0.253 0.000 0.635 421 A CB -0.696 18.384 19.000 0.135 0.000 0.810 421 A HN 0.479 nan 8.150 nan 0.000 0.445 422 V N -1.744 118.254 119.914 0.140 0.000 2.295 422 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 422 V C 2.215 178.384 176.094 0.125 0.000 1.049 422 V CA 1.953 64.312 62.300 0.097 0.000 1.024 422 V CB -1.091 30.762 31.823 0.050 0.000 0.648 422 V HN 0.920 nan 8.190 nan 0.000 0.447 423 W N -0.240 121.056 121.300 -0.007 0.000 2.355 423 W HA -0.215 4.445 4.660 -0.000 0.000 0.309 423 W C 2.518 179.079 176.519 0.070 0.000 1.206 423 W CA 1.674 58.999 57.345 -0.033 0.000 1.284 423 W CB -0.472 28.911 29.460 -0.128 0.000 1.145 423 W HN 0.374 nan 8.180 nan 0.000 0.502 424 W N 1.290 122.448 121.300 -0.236 0.000 2.355 424 W HA -0.245 4.415 4.660 -0.000 0.000 0.309 424 W C 1.977 178.388 176.519 -0.179 0.000 1.206 424 W CA 2.327 59.431 57.345 -0.403 0.000 1.284 424 W CB -0.667 28.905 29.460 0.188 0.000 1.145 424 W HN -0.193 nan 8.180 nan 0.000 0.502 425 T N 0.855 115.442 114.554 0.055 0.000 2.652 425 T HA -0.290 4.060 4.350 -0.000 0.000 0.267 425 T C 1.644 176.261 174.700 -0.138 0.000 1.039 425 T CA 2.231 64.320 62.100 -0.019 0.000 1.153 425 T CB -0.468 68.409 68.868 0.015 0.000 0.863 425 T HN -0.064 nan 8.240 nan 0.000 0.428 426 K N 1.294 121.580 120.400 -0.190 0.000 2.103 426 K HA -0.112 4.207 4.320 -0.000 0.000 0.207 426 K C 2.192 178.561 176.600 -0.385 0.000 1.048 426 K CA 1.280 57.431 56.287 -0.227 0.000 0.930 426 K CB -0.306 32.093 32.500 -0.170 0.000 0.716 426 K HN 0.156 nan 8.250 nan 0.000 0.444 427 E N -0.261 119.508 120.200 -0.719 0.000 2.085 427 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 427 E C 2.017 177.998 176.600 -1.033 0.000 0.994 427 E CA 1.205 56.897 56.400 -1.179 0.000 0.801 427 E CB -0.400 28.030 29.700 -2.115 0.000 0.743 427 E HN 0.345 nan 8.360 nan 0.000 0.453 428 F N 1.281 120.814 119.950 -0.696 0.000 2.186 428 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 428 F C 2.476 178.264 175.800 -0.019 0.000 1.090 428 F CA 1.000 58.892 58.000 -0.180 0.000 1.307 428 F CB -0.104 38.809 39.000 -0.145 0.000 1.019 428 F HN 0.063 nan 8.300 nan 0.000 0.489 429 E N 0.296 120.503 120.200 0.011 0.000 2.106 429 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 429 E C 2.295 178.904 176.600 0.016 0.000 0.984 429 E CA 0.813 57.193 56.400 -0.033 0.000 0.806 429 E CB -0.148 29.494 29.700 -0.098 0.000 0.750 429 E HN 0.367 nan 8.360 nan 0.000 0.458 430 L N -0.020 121.189 121.223 -0.023 0.000 2.017 430 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 430 L C 2.441 179.409 176.870 0.163 0.000 1.073 430 L CA 0.895 55.746 54.840 0.020 0.000 0.745 430 L CB -0.441 41.585 42.059 -0.055 0.000 0.894 430 L HN 0.191 nan 8.230 nan 0.000 0.432 431 F N 0.026 120.005 119.950 0.048 0.000 2.134 431 F HA -0.260 4.266 4.527 -0.000 0.000 0.299 431 F C 2.755 178.748 175.800 0.321 0.000 1.097 431 F CA 1.690 59.831 58.000 0.236 0.000 1.264 431 F CB -0.610 38.609 39.000 0.364 0.000 1.001 431 F HN 0.153 nan 8.300 nan 0.000 0.479 432 H N 0.191 119.382 119.070 0.202 0.000 2.456 432 H HA -0.129 4.426 4.556 -0.000 0.000 0.296 432 H C 1.721 176.923 175.328 -0.210 0.000 1.079 432 H CA 1.384 57.337 56.048 -0.159 0.000 1.322 432 H CB -0.138 29.375 29.762 -0.415 0.000 1.388 432 H HN 0.245 nan 8.280 nan 0.000 0.538 433 N N 0.708 119.386 118.700 -0.037 0.000 2.289 433 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 433 N C 1.878 177.323 175.510 -0.108 0.000 1.016 433 N CA 0.920 53.929 53.050 -0.067 0.000 0.872 433 N CB -0.105 38.378 38.487 -0.007 0.000 0.973 433 N HN 0.634 nan 8.380 nan 0.000 0.433 434 Q N -0.257 119.479 119.800 -0.108 0.000 2.165 434 Q HA 0.122 4.462 4.340 -0.000 0.000 0.197 434 Q C -0.128 175.727 176.000 -0.240 0.000 0.952 434 Q CA 0.671 56.430 55.803 -0.074 0.000 0.848 434 Q CB 0.821 29.608 28.738 0.081 0.000 0.931 434 Q HN 0.039 nan 8.270 nan 0.000 0.470 435 V N 1.847 121.478 119.914 -0.472 0.000 2.447 435 V HA 0.176 4.296 4.120 -0.000 0.000 0.292 435 V C -0.817 174.909 176.094 -0.614 0.000 1.021 435 V CA -0.438 61.498 62.300 -0.607 0.000 0.850 435 V CB 1.604 32.941 31.823 -0.810 0.000 1.005 435 V HN 0.150 nan 8.190 nan 0.000 0.426 436 E N 4.935 124.754 120.200 -0.634 0.000 1.979 436 E HA 0.256 4.605 4.350 -0.000 0.000 0.285 436 E C -0.239 176.112 176.600 -0.415 0.000 1.188 436 E CA -0.311 55.590 56.400 -0.832 0.000 1.214 436 E CB 0.171 29.576 29.700 -0.492 0.000 1.210 436 E HN 0.677 nan 8.360 nan 0.000 0.477 437 F N -0.783 119.070 119.950 -0.161 0.000 2.440 437 F HA 0.222 4.749 4.527 -0.000 0.000 0.323 437 F C 0.842 176.870 175.800 0.380 0.000 1.192 437 F CA -0.422 57.629 58.000 0.085 0.000 1.252 437 F CB 0.698 39.782 39.000 0.140 0.000 1.214 437 F HN -0.000 nan 8.300 nan 0.000 0.578 438 D N -0.069 120.545 120.400 0.357 0.000 2.454 438 D HA 0.261 4.900 4.640 -0.000 0.000 0.219 438 D C 0.666 176.990 176.300 0.039 0.000 1.081 438 D CA 0.570 54.608 54.000 0.063 0.000 0.867 438 D CB 1.199 41.813 40.800 -0.310 0.000 1.054 438 D HN 0.759 nan 8.370 nan 0.000 0.500 439 G N 0.343 109.391 108.800 0.414 0.000 2.649 439 G HA2 0.631 4.591 3.960 -0.000 0.000 0.290 439 G HA3 0.631 4.591 3.960 -0.000 0.000 0.290 439 G C -1.710 173.475 174.900 0.475 0.000 1.426 439 G CA -0.621 44.757 45.100 0.462 0.000 0.794 439 G HN -0.016 nan 8.290 nan 0.000 0.483 440 I N -0.119 120.661 120.570 0.350 0.000 2.534 440 I HA 0.349 4.518 4.170 -0.000 0.000 0.288 440 I C -1.511 174.765 176.117 0.264 0.000 1.077 440 I CA -0.574 60.878 61.300 0.253 0.000 1.051 440 I CB 2.660 40.737 38.000 0.128 0.000 1.234 440 I HN 0.558 nan 8.210 nan 0.000 0.425 441 W N 9.377 130.725 121.300 0.080 0.000 2.294 441 W HA 0.615 5.275 4.660 -0.000 0.000 0.314 441 W C -0.942 175.643 176.519 0.111 0.000 1.044 441 W CA -1.796 55.576 57.345 0.046 0.000 1.284 441 W CB 0.699 30.177 29.460 0.029 0.000 1.231 441 W HN 0.333 nan 8.180 nan 0.000 0.419 442 I N 3.828 124.624 120.570 0.376 0.000 2.331 442 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 442 I C -0.559 175.736 176.117 0.296 0.000 0.998 442 I CA -0.391 61.067 61.300 0.264 0.000 1.267 442 I CB 1.498 39.652 38.000 0.256 0.000 1.386 442 I HN 0.273 nan 8.210 nan 0.000 0.476 443 D N 5.560 126.052 120.400 0.153 0.000 2.493 443 D HA 0.521 5.160 4.640 -0.000 0.000 0.239 443 D C 0.299 176.713 176.300 0.191 0.000 1.049 443 D CA -0.313 53.820 54.000 0.222 0.000 1.008 443 D CB 1.397 42.193 40.800 -0.007 0.000 1.398 443 D HN 0.657 nan 8.370 nan 0.000 0.513 444 M N 0.744 120.463 119.600 0.198 0.000 2.751 444 M HA -0.211 4.268 4.480 -0.000 0.000 0.199 444 M C -0.220 176.147 176.300 0.112 0.000 0.550 444 M CA 0.466 55.857 55.300 0.152 0.000 0.640 444 M CB -2.797 29.885 32.600 0.136 0.000 2.351 444 M HN 0.587 nan 8.290 nan 0.000 0.613 445 N N -0.490 118.292 118.700 0.136 0.000 2.320 445 N HA 0.252 4.992 4.740 -0.000 0.000 0.237 445 N C 0.702 176.260 175.510 0.081 0.000 1.129 445 N CA -0.031 53.114 53.050 0.159 0.000 0.854 445 N CB 0.202 38.835 38.487 0.243 0.000 1.083 445 N HN 0.262 nan 8.380 nan 0.000 0.504 446 E N -0.085 120.105 120.200 -0.017 0.000 2.153 446 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 446 E C 0.346 176.689 176.600 -0.428 0.000 0.988 446 E CA 0.471 56.798 56.400 -0.122 0.000 0.811 446 E CB 0.124 29.813 29.700 -0.019 0.000 0.746 446 E HN 0.275 nan 8.360 nan 0.000 0.466 447 V N 0.299 119.901 119.914 -0.520 0.000 2.607 447 V HA 0.221 4.340 4.120 -0.000 0.000 0.289 447 V C -0.111 175.838 176.094 -0.242 0.000 1.053 447 V CA -0.351 61.665 62.300 -0.473 0.000 0.996 447 V CB 1.696 32.883 31.823 -1.060 0.000 0.995 447 V HN 0.124 nan 8.190 nan 0.000 0.476 448 S N 5.511 121.143 115.700 -0.114 0.000 2.525 448 S HA 0.480 4.950 4.470 -0.000 0.000 0.278 448 S C -0.477 174.071 174.600 -0.087 0.000 1.234 448 S CA -0.549 57.632 58.200 -0.031 0.000 1.058 448 S CB 0.494 63.724 63.200 0.051 0.000 0.983 448 S HN 0.902 nan 8.310 nan 0.000 0.495 449 N N 3.367 122.047 118.700 -0.033 0.000 2.310 449 N HA 0.396 5.136 4.740 -0.000 0.000 0.292 449 N C -0.298 175.297 175.510 0.141 0.000 1.049 449 N CA -0.799 52.228 53.050 -0.039 0.000 0.849 449 N CB 0.661 39.109 38.487 -0.065 0.000 1.532 449 N HN 0.456 nan 8.380 nan 0.000 0.479 450 F N 0.697 120.612 119.950 -0.058 0.000 2.661 450 F HA 0.063 4.589 4.527 -0.000 0.000 0.298 450 F C 1.043 176.826 175.800 -0.028 0.000 1.137 450 F CA 0.073 58.029 58.000 -0.074 0.000 1.454 450 F CB -0.652 38.272 39.000 -0.126 0.000 1.103 450 F HN 0.266 nan 8.300 nan 0.000 0.577 451 V N -2.678 117.337 119.914 0.168 0.000 2.881 451 V HA 0.473 4.593 4.120 -0.000 0.000 0.316 451 V C -0.314 175.838 176.094 0.096 0.000 1.070 451 V CA -1.288 61.074 62.300 0.103 0.000 0.976 451 V CB 1.727 33.592 31.823 0.069 0.000 1.038 451 V HN -0.226 nan 8.190 nan 0.000 0.446 452 D N 2.263 122.724 120.400 0.102 0.000 2.338 452 D HA 0.482 5.122 4.640 -0.000 0.000 0.255 452 D C 1.167 177.557 176.300 0.150 0.000 1.237 452 D CA 1.596 55.705 54.000 0.181 0.000 0.883 452 D CB 0.760 41.704 40.800 0.240 0.000 1.087 452 D HN 1.251 nan 8.370 nan 0.000 0.485 453 G N 2.778 111.665 108.800 0.146 0.000 4.655 453 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.220 453 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.220 453 G C 0.397 175.274 174.900 -0.039 0.000 1.403 453 G CA 0.701 45.815 45.100 0.023 0.000 0.931 453 G HN 1.211 nan 8.290 nan 0.000 0.654 454 S N -1.991 113.686 115.700 -0.039 0.000 2.636 454 S HA 0.588 5.058 4.470 -0.000 0.000 0.266 454 S C 1.080 175.674 174.600 -0.011 0.000 1.147 454 S CA 0.474 58.665 58.200 -0.015 0.000 0.815 454 S CB 1.104 64.289 63.200 -0.026 0.000 1.119 454 S HN 1.909 nan 8.310 nan 0.000 0.470 455 V N -0.057 119.857 119.914 0.000 0.000 2.720 455 V HA 0.052 4.171 4.120 -0.000 0.000 0.256 455 V C 1.536 177.617 176.094 -0.023 0.000 1.082 455 V CA 2.036 64.332 62.300 -0.008 0.000 1.101 455 V CB -1.395 30.421 31.823 -0.013 0.000 0.693 455 V HN 1.272 nan 8.190 nan 0.000 0.479 456 S N -0.692 114.987 115.700 -0.035 0.000 2.574 456 S HA 0.583 5.053 4.470 -0.000 0.000 0.242 456 S C 1.080 175.636 174.600 -0.074 0.000 0.982 456 S CA 0.300 58.473 58.200 -0.046 0.000 0.977 456 S CB -0.298 62.878 63.200 -0.040 0.000 0.814 456 S HN 1.748 nan 8.310 nan 0.000 0.464 457 G N 0.656 109.404 108.800 -0.088 0.000 2.601 457 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.252 457 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.252 457 G C -0.290 174.466 174.900 -0.239 0.000 1.294 457 G CA -0.291 44.714 45.100 -0.159 0.000 0.912 457 G HN 0.914 nan 8.290 nan 0.000 0.574 458 C N -0.381 118.687 119.300 -0.387 0.000 2.563 458 C HA 0.756 5.216 4.460 -0.000 0.000 0.314 458 C C 0.785 175.596 174.990 -0.297 0.000 1.199 458 C CA -0.054 58.707 59.018 -0.428 0.000 1.564 458 C CB 1.327 28.539 27.740 -0.880 0.000 2.173 458 C HN 0.971 nan 8.230 nan 0.000 0.485 459 S N 1.431 117.020 115.700 -0.185 0.000 2.579 459 S HA 0.213 4.682 4.470 -0.000 0.000 0.275 459 S C 0.272 174.814 174.600 -0.096 0.000 1.345 459 S CA -0.042 58.092 58.200 -0.112 0.000 1.031 459 S CB 0.334 63.492 63.200 -0.070 0.000 0.892 459 S HN 0.807 nan 8.310 nan 0.000 0.529 460 T N 4.318 118.844 114.554 -0.047 0.000 2.737 460 T HA 0.454 4.804 4.350 -0.000 0.000 0.296 460 T C 0.098 174.800 174.700 0.004 0.000 0.922 460 T CA -0.476 61.624 62.100 -0.001 0.000 1.079 460 T CB -0.466 68.412 68.868 0.017 0.000 0.892 460 T HN 0.816 nan 8.240 nan 0.000 0.514 461 N N 1.493 120.205 118.700 0.020 0.000 3.261 461 N HA 0.147 4.887 4.740 -0.000 0.000 0.248 461 N C 0.234 175.753 175.510 0.015 0.000 1.498 461 N CA -0.963 52.092 53.050 0.008 0.000 0.884 461 N CB 0.234 38.713 38.487 -0.013 0.000 1.428 461 N HN 0.244 nan 8.380 nan 0.000 0.517 462 N N -0.212 118.479 118.700 -0.015 0.000 2.550 462 N HA -0.028 4.712 4.740 -0.000 0.000 0.186 462 N C 0.547 176.003 175.510 -0.090 0.000 1.110 462 N CA 0.711 53.744 53.050 -0.028 0.000 0.912 462 N CB -0.083 38.381 38.487 -0.038 0.000 0.968 462 N HN 0.611 nan 8.380 nan 0.000 0.448 463 L N 0.229 121.388 121.223 -0.106 0.000 2.189 463 L HA 0.091 4.431 4.340 -0.000 0.000 0.199 463 L C 1.632 178.596 176.870 0.155 0.000 1.074 463 L CA 0.796 55.555 54.840 -0.135 0.000 0.783 463 L CB -0.595 41.380 42.059 -0.141 0.000 0.955 463 L HN 0.068 nan 8.230 nan 0.000 0.460 464 N N 0.119 118.907 118.700 0.147 0.000 2.309 464 N HA -0.085 4.654 4.740 -0.000 0.000 0.182 464 N C 0.125 175.852 175.510 0.361 0.000 1.018 464 N CA 0.708 53.930 53.050 0.286 0.000 0.876 464 N CB 0.135 38.684 38.487 0.103 0.000 0.972 464 N HN 0.292 nan 8.380 nan 0.000 0.434 465 N N 0.612 119.439 118.700 0.211 0.000 2.752 465 N HA 0.191 4.931 4.740 -0.000 0.000 0.260 465 N C -2.870 172.699 175.510 0.099 0.000 1.562 465 N CA -0.740 52.413 53.050 0.172 0.000 0.788 465 N CB 1.679 40.270 38.487 0.173 0.000 1.192 465 N HN 0.134 nan 8.380 nan 0.000 0.503 466 P HA 0.280 nan 4.420 nan 0.000 0.274 466 P C -1.886 175.471 177.300 0.096 0.000 1.246 466 P CA -0.813 62.349 63.100 0.104 0.000 0.795 466 P CB 1.006 32.815 31.700 0.182 0.000 1.006 467 P HA -0.030 nan 4.420 nan 0.000 0.216 467 P C 0.035 177.486 177.300 0.252 0.000 1.150 467 P CA 1.391 64.636 63.100 0.241 0.000 0.837 467 P CB -0.003 31.895 31.700 0.329 0.000 0.786 468 F N -0.801 119.119 119.950 -0.050 0.000 2.547 468 F HA 0.486 5.013 4.527 -0.001 0.000 0.316 468 F C -0.978 174.737 175.800 -0.142 0.000 1.121 468 F CA -0.571 57.275 58.000 -0.256 0.000 0.911 468 F CB 1.634 40.248 39.000 -0.643 0.000 1.179 468 F HN -0.435 nan 8.300 nan 0.000 0.443 469 T N 7.112 121.041 114.554 -1.041 0.000 2.809 469 T HA 0.425 4.774 4.350 -0.000 0.000 0.284 469 T C -2.642 171.390 174.700 -1.114 0.000 0.992 469 T CA -1.264 60.355 62.100 -0.801 0.000 0.957 469 T CB 1.652 70.193 68.868 -0.544 0.000 0.942 469 T HN 0.300 nan 8.240 nan 0.000 0.439 470 P HA 0.117 nan 4.420 nan 0.000 0.271 470 P C 0.183 177.297 177.300 -0.309 0.000 1.238 470 P CA -0.588 62.301 63.100 -0.352 0.000 0.794 470 P CB 0.411 32.044 31.700 -0.113 0.000 0.959 471 R N 1.670 122.072 120.500 -0.164 0.000 4.980 471 R HA 0.153 4.493 4.340 -0.000 0.000 0.190 471 R C 0.474 176.720 176.300 -0.091 0.000 2.095 471 R CA -0.114 55.904 56.100 -0.137 0.000 1.717 471 R CB -1.453 28.787 30.300 -0.099 0.000 1.337 471 R HN 0.446 nan 8.270 nan 0.000 0.820 472 I N -1.898 118.604 120.570 -0.113 0.000 2.754 472 I HA 0.077 4.246 4.170 -0.000 0.000 0.285 472 I C 0.387 176.479 176.117 -0.041 0.000 1.166 472 I CA -0.963 60.310 61.300 -0.045 0.000 1.417 472 I CB 0.355 38.313 38.000 -0.070 0.000 1.382 472 I HN 0.072 nan 8.210 nan 0.000 0.588 473 L N 6.538 127.769 121.223 0.014 0.000 2.601 473 L HA -0.021 4.319 4.340 -0.000 0.000 0.277 473 L C 0.511 177.382 176.870 0.001 0.000 1.219 473 L CA 1.232 56.080 54.840 0.014 0.000 0.915 473 L CB -0.731 41.353 42.059 0.041 0.000 1.160 473 L HN 0.882 nan 8.230 nan 0.000 0.494 474 D N 2.859 123.256 120.400 -0.004 0.000 2.837 474 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 474 D C 1.123 177.422 176.300 -0.001 0.000 1.033 474 D CA 1.441 55.450 54.000 0.016 0.000 1.021 474 D CB -1.312 39.511 40.800 0.038 0.000 1.101 474 D HN 1.290 nan 8.370 nan 0.000 0.431 475 G N -0.095 108.642 108.800 -0.106 0.000 2.155 475 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.257 475 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.257 475 G C -0.076 174.544 174.900 -0.467 0.000 0.983 475 G CA 0.922 45.862 45.100 -0.266 0.000 0.676 475 G HN 0.493 nan 8.290 nan 0.000 0.528 476 Y N -1.372 118.725 120.300 -0.339 0.000 2.462 476 Y HA 0.566 5.116 4.550 -0.001 0.000 0.346 476 Y C 1.503 177.072 175.900 -0.552 0.000 0.976 476 Y CA -1.069 56.706 58.100 -0.541 0.000 1.044 476 Y CB 1.445 39.340 38.460 -0.941 0.000 1.230 476 Y HN -0.077 nan 8.280 nan 0.000 0.455 477 L N 1.659 122.665 121.223 -0.361 0.000 2.083 477 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 477 L C 1.639 178.479 176.870 -0.051 0.000 1.083 477 L CA 1.686 56.335 54.840 -0.318 0.000 0.752 477 L CB -0.349 41.525 42.059 -0.308 0.000 0.899 477 L HN 0.741 nan 8.230 nan 0.000 0.433 478 F N -2.416 117.587 119.950 0.089 0.000 2.773 478 F HA 0.209 4.736 4.527 -0.001 0.000 0.304 478 F C 1.051 176.883 175.800 0.053 0.000 1.129 478 F CA -1.600 56.437 58.000 0.063 0.000 1.378 478 F CB -1.893 37.127 39.000 0.033 0.000 1.095 478 F HN -0.155 nan 8.300 nan 0.000 0.565 479 C N 4.555 123.768 119.300 -0.145 0.000 2.601 479 C HA 0.040 4.499 4.460 -0.000 0.000 0.405 479 C C 1.176 176.207 174.990 0.069 0.000 1.441 479 C CA -0.482 58.514 59.018 -0.036 0.000 1.555 479 C CB -1.079 26.628 27.740 -0.056 0.000 2.450 479 C HN 0.548 nan 8.230 nan 0.000 0.614 480 K N 1.505 121.960 120.400 0.092 0.000 3.016 480 K HA -0.194 4.126 4.320 -0.000 0.000 0.262 480 K C 0.113 176.761 176.600 0.080 0.000 1.043 480 K CA 1.388 57.736 56.287 0.102 0.000 0.761 480 K CB -1.798 30.768 32.500 0.109 0.000 1.230 480 K HN 0.928 nan 8.250 nan 0.000 0.485 481 T N -1.594 113.002 114.554 0.070 0.000 2.612 481 T HA 0.627 4.977 4.350 -0.000 0.000 0.296 481 T C -0.776 173.898 174.700 -0.043 0.000 1.148 481 T CA -0.810 61.293 62.100 0.006 0.000 1.077 481 T CB 0.972 69.907 68.868 0.112 0.000 1.591 481 T HN 0.100 nan 8.240 nan 0.000 0.479 482 L N 1.301 122.461 121.223 -0.105 0.000 2.439 482 L HA 0.429 4.769 4.340 -0.000 0.000 0.261 482 L C 0.549 177.437 176.870 0.030 0.000 1.153 482 L CA -1.024 53.738 54.840 -0.130 0.000 0.808 482 L CB 0.488 42.404 42.059 -0.240 0.000 1.126 482 L HN 0.704 nan 8.230 nan 0.000 0.460 483 C N 2.052 121.352 119.300 0.000 0.000 2.634 483 C HA -0.027 4.432 4.460 -0.000 0.000 0.417 483 C C 1.990 177.033 174.990 0.088 0.000 1.334 483 C CA -0.517 58.516 59.018 0.024 0.000 1.829 483 C CB 0.181 27.893 27.740 -0.048 0.000 2.665 483 C HN 0.744 nan 8.230 nan 0.000 0.614 484 M N 2.486 122.176 119.600 0.151 0.000 2.476 484 M HA -0.036 4.444 4.480 -0.000 0.000 0.262 484 M C 1.434 177.823 176.300 0.148 0.000 1.079 484 M CA 1.322 56.745 55.300 0.204 0.000 1.104 484 M CB -0.950 31.835 32.600 0.308 0.000 1.409 484 M HN 0.823 nan 8.290 nan 0.000 0.467 485 D N -0.501 119.944 120.400 0.076 0.000 2.340 485 D HA 0.244 4.884 4.640 -0.000 0.000 0.217 485 D C 0.539 176.862 176.300 0.037 0.000 1.081 485 D CA -0.095 53.931 54.000 0.042 0.000 0.842 485 D CB -0.402 40.402 40.800 0.007 0.000 0.934 485 D HN 0.064 nan 8.370 nan 0.000 0.511 486 A N 0.025 122.872 122.820 0.045 0.000 2.448 486 A HA 0.459 4.778 4.320 -0.000 0.000 0.239 486 A C -0.079 177.541 177.584 0.060 0.000 1.080 486 A CA -0.304 51.759 52.037 0.043 0.000 0.779 486 A CB 0.681 19.698 19.000 0.029 0.000 1.026 486 A HN 0.126 nan 8.150 nan 0.000 0.499 487 V N 1.948 121.900 119.914 0.063 0.000 2.531 487 V HA 0.435 4.555 4.120 -0.000 0.000 0.301 487 V C -0.178 175.962 176.094 0.078 0.000 1.034 487 V CA -0.329 62.011 62.300 0.068 0.000 0.865 487 V CB 1.430 33.286 31.823 0.056 0.000 0.995 487 V HN 1.054 nan 8.190 nan 0.000 0.424 488 Q N 1.474 121.327 119.800 0.088 0.000 2.528 488 Q HA 0.411 4.750 4.340 -0.000 0.000 0.289 488 Q C 0.786 176.857 176.000 0.118 0.000 1.091 488 Q CA -0.856 54.996 55.803 0.083 0.000 0.797 488 Q CB 2.108 30.887 28.738 0.068 0.000 1.466 488 Q HN 0.837 nan 8.270 nan 0.000 0.436 489 H N 0.393 119.456 119.070 -0.011 0.000 2.357 489 H HA -0.176 4.380 4.556 -0.000 0.000 0.296 489 H C 0.653 176.119 175.328 0.230 0.000 1.108 489 H CA 2.061 58.132 56.048 0.039 0.000 1.273 489 H CB 0.362 30.088 29.762 -0.059 0.000 1.367 489 H HN 0.632 nan 8.280 nan 0.000 0.498 490 W N 0.833 122.112 121.300 -0.035 0.000 2.678 490 W HA 0.249 4.909 4.660 -0.000 0.000 0.256 490 W C 1.297 177.862 176.519 0.077 0.000 1.280 490 W CA 1.352 58.690 57.345 -0.013 0.000 1.345 490 W CB -0.304 29.212 29.460 0.093 0.000 1.118 490 W HN 0.473 nan 8.180 nan 0.000 0.629 491 G N -0.733 108.218 108.800 0.252 0.000 2.339 491 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.275 491 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.275 491 G C -0.897 174.059 174.900 0.093 0.000 1.323 491 G CA -1.161 44.031 45.100 0.154 0.000 0.927 491 G HN -0.187 nan 8.290 nan 0.000 0.486 492 K N -0.037 120.389 120.400 0.043 0.000 2.202 492 K HA 0.270 4.589 4.320 -0.000 0.000 0.264 492 K C 1.335 177.973 176.600 0.063 0.000 1.010 492 K CA -0.144 56.175 56.287 0.054 0.000 0.940 492 K CB 1.458 33.988 32.500 0.050 0.000 0.983 492 K HN 0.554 nan 8.250 nan 0.000 0.475 493 Q N 1.625 121.490 119.800 0.107 0.000 2.181 493 Q HA -0.246 4.094 4.340 -0.000 0.000 0.205 493 Q C 1.538 177.647 176.000 0.180 0.000 0.980 493 Q CA 1.694 57.584 55.803 0.145 0.000 0.862 493 Q CB -0.299 28.526 28.738 0.144 0.000 0.905 493 Q HN 0.679 nan 8.270 nan 0.000 0.429 494 Y N 0.454 120.777 120.300 0.039 0.000 2.193 494 Y HA -0.278 4.272 4.550 -0.000 0.000 0.285 494 Y C 1.336 177.221 175.900 -0.025 0.000 1.166 494 Y CA 2.310 60.429 58.100 0.031 0.000 1.181 494 Y CB 0.025 38.480 38.460 -0.008 0.000 0.976 494 Y HN 0.254 nan 8.280 nan 0.000 0.520 495 D N -0.493 119.861 120.400 -0.077 0.000 2.277 495 D HA 0.017 4.657 4.640 -0.000 0.000 0.209 495 D C 1.640 177.681 176.300 -0.431 0.000 0.970 495 D CA 1.560 55.264 54.000 -0.493 0.000 0.874 495 D CB 0.104 40.157 40.800 -1.245 0.000 0.982 495 D HN 0.642 nan 8.370 nan 0.000 0.504 496 I N -2.407 118.062 120.570 -0.168 0.000 4.081 496 I HA 0.174 4.344 4.170 -0.000 0.000 0.333 496 I C 1.830 178.007 176.117 0.100 0.000 1.413 496 I CA -0.317 60.995 61.300 0.020 0.000 1.110 496 I CB 0.011 38.114 38.000 0.172 0.000 1.082 496 I HN -0.134 nan 8.210 nan 0.000 0.402 497 H N 3.070 122.145 119.070 0.008 0.000 2.321 497 H HA -0.230 4.326 4.556 -0.000 0.000 0.295 497 H C 1.079 176.378 175.328 -0.049 0.000 1.102 497 H CA 2.610 58.645 56.048 -0.021 0.000 1.266 497 H CB -0.137 29.581 29.762 -0.074 0.000 1.363 497 H HN 0.572 nan 8.280 nan 0.000 0.492 498 N N 0.089 118.767 118.700 -0.036 0.000 2.573 498 N HA -0.051 4.689 4.740 -0.000 0.000 0.187 498 N C 1.300 176.777 175.510 -0.056 0.000 1.107 498 N CA 0.145 53.166 53.050 -0.050 0.000 0.918 498 N CB 0.168 38.738 38.487 0.139 0.000 0.966 498 N HN 0.371 nan 8.380 nan 0.000 0.448 499 L N -0.935 120.253 121.223 -0.059 0.000 2.640 499 L HA 0.079 4.418 4.340 -0.000 0.000 0.230 499 L C 1.442 178.409 176.870 0.161 0.000 1.123 499 L CA -0.119 54.736 54.840 0.025 0.000 0.900 499 L CB -0.130 41.995 42.059 0.110 0.000 1.146 499 L HN 0.207 nan 8.230 nan 0.000 0.484 500 Y N 1.453 121.735 120.300 -0.031 0.000 2.145 500 Y HA -0.167 4.383 4.550 -0.000 0.000 0.286 500 Y C 2.349 178.241 175.900 -0.013 0.000 1.145 500 Y CA 1.920 60.001 58.100 -0.033 0.000 1.148 500 Y CB -0.073 38.321 38.460 -0.110 0.000 0.981 500 Y HN 0.118 nan 8.280 nan 0.000 0.507 501 G N -1.364 107.568 108.800 0.220 0.000 2.422 501 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 501 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 501 G C 1.476 176.415 174.900 0.066 0.000 1.140 501 G CA 0.873 46.060 45.100 0.145 0.000 0.775 501 G HN 0.575 nan 8.290 nan 0.000 0.545 502 Y N 2.809 123.128 120.300 0.032 0.000 2.097 502 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 502 Y C 3.154 178.984 175.900 -0.117 0.000 1.152 502 Y CA 2.205 60.331 58.100 0.044 0.000 1.136 502 Y CB -0.495 38.060 38.460 0.157 0.000 0.975 502 Y HN 0.302 nan 8.280 nan 0.000 0.498 503 S N 0.086 115.704 115.700 -0.135 0.000 2.382 503 S HA -0.318 4.152 4.470 -0.000 0.000 0.228 503 S C 2.211 176.479 174.600 -0.552 0.000 1.027 503 S CA 1.551 59.524 58.200 -0.379 0.000 0.991 503 S CB -0.885 62.056 63.200 -0.430 0.000 0.823 503 S HN 0.692 nan 8.310 nan 0.000 0.469 504 M N 1.468 120.681 119.600 -0.645 0.000 2.159 504 M HA -0.003 4.477 4.480 -0.000 0.000 0.263 504 M C 2.329 178.264 176.300 -0.609 0.000 1.063 504 M CA 1.642 56.325 55.300 -1.028 0.000 1.110 504 M CB -0.537 31.526 32.600 -0.896 0.000 1.374 504 M HN 0.524 nan 8.290 nan 0.000 0.411 505 A N -0.446 122.129 122.820 -0.408 0.000 1.930 505 A HA -0.090 4.229 4.320 -0.000 0.000 0.217 505 A C 2.011 179.297 177.584 -0.498 0.000 1.175 505 A CA 1.654 53.510 52.037 -0.302 0.000 0.627 505 A CB -1.026 17.871 19.000 -0.171 0.000 0.815 505 A HN 0.407 nan 8.150 nan 0.000 0.443 506 V N 0.041 119.449 119.914 -0.844 0.000 2.255 506 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 506 V C 3.084 178.900 176.094 -0.464 0.000 1.051 506 V CA 2.088 63.765 62.300 -1.039 0.000 1.018 506 V CB -1.378 29.867 31.823 -0.963 0.000 0.641 506 V HN 0.614 nan 8.190 nan 0.000 0.445 507 A N -0.341 122.278 122.820 -0.334 0.000 1.908 507 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 507 A C 2.381 180.055 177.584 0.149 0.000 1.181 507 A CA 2.708 54.698 52.037 -0.077 0.000 0.627 507 A CB -1.018 17.896 19.000 -0.143 0.000 0.818 507 A HN 0.530 nan 8.150 nan 0.000 0.445 508 T N -0.041 114.578 114.554 0.109 0.000 2.857 508 T HA 0.095 4.444 4.350 -0.000 0.000 0.266 508 T C 2.209 176.946 174.700 0.062 0.000 1.048 508 T CA 1.284 63.538 62.100 0.257 0.000 1.139 508 T CB -0.362 68.653 68.868 0.244 0.000 0.874 508 T HN 0.595 nan 8.240 nan 0.000 0.455 509 A N 1.492 124.317 122.820 0.008 0.000 1.902 509 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 509 A C 2.190 179.807 177.584 0.055 0.000 1.181 509 A CA 1.902 53.969 52.037 0.049 0.000 0.623 509 A CB -0.571 18.504 19.000 0.126 0.000 0.818 509 A HN 0.451 nan 8.150 nan 0.000 0.443 510 E N 0.316 120.536 120.200 0.034 0.000 2.085 510 E HA -0.101 4.248 4.350 -0.000 0.000 0.194 510 E C 2.031 178.662 176.600 0.052 0.000 0.994 510 E CA 1.615 58.044 56.400 0.049 0.000 0.801 510 E CB -0.477 29.249 29.700 0.045 0.000 0.743 510 E HN 0.480 nan 8.360 nan 0.000 0.453 511 A N 0.785 123.645 122.820 0.066 0.000 1.908 511 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 511 A C 2.447 179.996 177.584 -0.059 0.000 1.181 511 A CA 2.235 54.267 52.037 -0.008 0.000 0.627 511 A CB -1.103 17.843 19.000 -0.091 0.000 0.818 511 A HN 0.399 nan 8.150 nan 0.000 0.445 512 A N -0.284 122.542 122.820 0.010 0.000 2.019 512 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 512 A C 2.034 179.680 177.584 0.103 0.000 1.164 512 A CA 1.736 53.863 52.037 0.151 0.000 0.644 512 A CB -0.430 18.706 19.000 0.227 0.000 0.805 512 A HN 0.593 nan 8.150 nan 0.000 0.449 513 K N -0.979 119.451 120.400 0.050 0.000 2.103 513 K HA -0.119 4.200 4.320 -0.000 0.000 0.207 513 K C 1.913 178.506 176.600 -0.011 0.000 1.048 513 K CA 1.846 58.153 56.287 0.033 0.000 0.930 513 K CB -0.290 32.228 32.500 0.030 0.000 0.716 513 K HN 0.481 nan 8.250 nan 0.000 0.444 514 T N 0.405 114.926 114.554 -0.054 0.000 2.901 514 T HA -0.018 4.332 4.350 -0.000 0.000 0.252 514 T C 2.003 176.577 174.700 -0.210 0.000 1.035 514 T CA 0.657 62.696 62.100 -0.103 0.000 1.142 514 T CB 0.097 68.910 68.868 -0.091 0.000 0.869 514 T HN -0.084 nan 8.240 nan 0.000 0.442 515 V N 0.472 120.180 119.914 -0.344 0.000 2.548 515 V HA 0.063 4.183 4.120 -0.000 0.000 0.249 515 V C 0.414 175.950 176.094 -0.929 0.000 1.055 515 V CA 1.191 63.042 62.300 -0.748 0.000 1.065 515 V CB -0.519 30.699 31.823 -1.008 0.000 0.681 515 V HN 0.389 nan 8.190 nan 0.000 0.462 516 F N 0.238 120.064 119.950 -0.207 0.000 2.531 516 F HA 0.461 4.987 4.527 -0.000 0.000 0.333 516 F C -2.689 173.054 175.800 -0.094 0.000 1.292 516 F CA -3.119 54.783 58.000 -0.163 0.000 1.184 516 F CB 0.274 39.210 39.000 -0.107 0.000 1.426 516 F HN 0.022 nan 8.300 nan 0.000 0.559 517 P HA 0.107 nan 4.420 nan 0.000 0.267 517 P C 0.153 177.475 177.300 0.036 0.000 1.209 517 P CA 0.483 63.592 63.100 0.015 0.000 0.763 517 P CB 0.405 32.093 31.700 -0.020 0.000 0.816 518 N N -0.129 118.593 118.700 0.037 0.000 2.753 518 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 518 N C -0.274 175.255 175.510 0.031 0.000 1.097 518 N CA 1.276 54.344 53.050 0.031 0.000 0.786 518 N CB -0.965 37.534 38.487 0.020 0.000 1.137 518 N HN 0.472 nan 8.380 nan 0.000 0.566 519 K N 0.548 120.979 120.400 0.053 0.000 2.208 519 K HA 0.383 4.703 4.320 -0.000 0.000 0.247 519 K C 1.342 177.952 176.600 0.017 0.000 0.953 519 K CA -0.644 55.665 56.287 0.037 0.000 0.837 519 K CB 1.381 33.914 32.500 0.055 0.000 1.131 519 K HN 0.047 nan 8.250 nan 0.000 0.431 520 R N 0.488 120.973 120.500 -0.024 0.000 2.115 520 R HA -0.060 4.279 4.340 -0.000 0.000 0.226 520 R C 1.067 177.320 176.300 -0.078 0.000 1.100 520 R CA 0.840 56.905 56.100 -0.058 0.000 0.980 520 R CB -0.093 30.142 30.300 -0.108 0.000 0.875 520 R HN 0.862 nan 8.270 nan 0.000 0.445 521 S N -0.601 115.035 115.700 -0.107 0.000 3.762 521 S HA -0.313 4.157 4.470 -0.000 0.000 0.627 521 S C -0.563 174.022 174.600 -0.025 0.000 2.389 521 S CA 1.254 59.356 58.200 -0.163 0.000 3.978 521 S CB -0.791 62.103 63.200 -0.511 0.000 0.234 521 S HN 0.346 nan 8.310 nan 0.000 0.960 522 F N 0.694 120.549 119.950 -0.159 0.000 2.651 522 F HA 0.676 5.203 4.527 -0.000 0.000 0.327 522 F C -1.393 174.384 175.800 -0.038 0.000 1.133 522 F CA -0.635 57.263 58.000 -0.171 0.000 1.076 522 F CB 0.647 39.533 39.000 -0.191 0.000 1.315 522 F HN 0.539 nan 8.300 nan 0.000 0.499 523 I N 6.949 127.108 120.570 -0.685 0.000 2.436 523 I HA 0.465 4.634 4.170 -0.000 0.000 0.289 523 I C -1.465 174.104 176.117 -0.913 0.000 1.010 523 I CA -1.020 59.948 61.300 -0.553 0.000 1.098 523 I CB 1.906 39.782 38.000 -0.207 0.000 1.266 523 I HN 0.534 nan 8.210 nan 0.000 0.434 524 L N 6.238 127.047 121.223 -0.690 0.000 2.313 524 L HA 0.665 5.005 4.340 -0.000 0.000 0.283 524 L C -0.311 176.591 176.870 0.054 0.000 1.013 524 L CA 0.326 54.893 54.840 -0.454 0.000 0.816 524 L CB 1.825 43.612 42.059 -0.452 0.000 1.236 524 L HN 0.610 nan 8.230 nan 0.000 0.419 525 T N 3.576 118.218 114.554 0.146 0.000 2.887 525 T HA 0.439 4.789 4.350 -0.000 0.000 0.288 525 T C 0.691 175.614 174.700 0.372 0.000 1.021 525 T CA -0.438 61.836 62.100 0.290 0.000 1.000 525 T CB 1.635 70.598 68.868 0.159 0.000 1.034 525 T HN 0.838 nan 8.240 nan 0.000 0.467 526 R N 1.763 122.430 120.500 0.278 0.000 2.046 526 R HA 0.233 4.573 4.340 -0.000 0.000 0.223 526 R C 0.928 177.246 176.300 0.030 0.000 1.179 526 R CA 0.441 56.453 56.100 -0.147 0.000 0.952 526 R CB -0.410 29.699 30.300 -0.318 0.000 0.843 526 R HN 0.571 nan 8.270 nan 0.000 0.439 527 S N 0.222 115.980 115.700 0.095 0.000 2.564 527 S HA 0.160 4.630 4.470 -0.000 0.000 0.278 527 S C -0.453 174.227 174.600 0.133 0.000 1.333 527 S CA -0.192 58.088 58.200 0.133 0.000 1.048 527 S CB 0.805 64.082 63.200 0.128 0.000 0.900 527 S HN 0.447 nan 8.310 nan 0.000 0.505 528 T N 1.956 116.596 114.554 0.143 0.000 2.864 528 T HA 0.743 5.093 4.350 -0.000 0.000 0.299 528 T C -1.063 173.814 174.700 0.295 0.000 1.166 528 T CA -0.705 61.514 62.100 0.199 0.000 1.007 528 T CB 1.260 70.202 68.868 0.124 0.000 1.219 528 T HN 0.523 nan 8.240 nan 0.000 0.506 529 F N 0.513 120.566 119.950 0.172 0.000 2.675 529 F HA 0.761 5.288 4.527 -0.000 0.000 0.324 529 F C -0.332 175.529 175.800 0.100 0.000 1.106 529 F CA -1.091 56.966 58.000 0.094 0.000 0.970 529 F CB 1.368 40.382 39.000 0.023 0.000 1.385 529 F HN 1.017 nan 8.300 nan 0.000 0.489 530 A N 1.450 123.857 122.820 -0.689 0.000 2.545 530 A HA 0.434 4.753 4.320 -0.000 0.000 0.253 530 A C 0.988 178.597 177.584 0.043 0.000 1.074 530 A CA 1.037 52.855 52.037 -0.365 0.000 0.760 530 A CB -1.233 17.456 19.000 -0.517 0.000 1.005 530 A HN 2.010 nan 8.150 nan 0.000 0.506 531 G N 1.635 110.454 108.800 0.032 0.000 2.218 531 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.216 531 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.216 531 G C 1.297 176.403 174.900 0.343 0.000 0.994 531 G CA 0.634 45.853 45.100 0.197 0.000 0.637 531 G HN 0.987 nan 8.290 nan 0.000 0.505 532 S N 0.547 116.503 115.700 0.427 0.000 2.419 532 S HA 0.049 4.519 4.470 -0.000 0.000 0.233 532 S C 2.396 177.121 174.600 0.209 0.000 1.016 532 S CA 1.725 60.183 58.200 0.431 0.000 0.974 532 S CB -0.388 63.028 63.200 0.361 0.000 0.786 532 S HN 1.274 nan 8.310 nan 0.000 0.492 533 G N 1.333 110.189 108.800 0.093 0.000 2.535 533 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 533 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 533 G C 1.193 176.012 174.900 -0.134 0.000 1.122 533 G CA 0.540 45.644 45.100 0.007 0.000 0.769 533 G HN 0.486 nan 8.290 nan 0.000 0.549 534 K N -0.567 119.647 120.400 -0.310 0.000 2.283 534 K HA 0.015 4.335 4.320 -0.000 0.000 0.202 534 K C 1.251 177.411 176.600 -0.733 0.000 1.048 534 K CA 0.846 56.762 56.287 -0.618 0.000 0.948 534 K CB -0.113 31.857 32.500 -0.885 0.000 0.742 534 K HN 0.395 nan 8.250 nan 0.000 0.458 535 F N -0.673 119.242 119.950 -0.059 0.000 2.711 535 F HA 0.381 4.908 4.527 -0.000 0.000 0.296 535 F C 0.468 176.199 175.800 -0.114 0.000 1.096 535 F CA -0.309 57.638 58.000 -0.088 0.000 1.280 535 F CB 0.724 39.654 39.000 -0.117 0.000 1.060 535 F HN -0.090 nan 8.300 nan 0.000 0.608 536 A N 0.026 122.867 122.820 0.036 0.000 2.572 536 A HA 0.834 5.154 4.320 -0.000 0.000 0.295 536 A C -0.730 176.793 177.584 -0.102 0.000 1.072 536 A CA -0.428 51.566 52.037 -0.072 0.000 0.691 536 A CB 0.519 19.508 19.000 -0.019 0.000 1.291 536 A HN 0.136 nan 8.150 nan 0.000 0.404 537 A N 0.271 122.938 122.820 -0.255 0.000 2.296 537 A HA 0.662 4.982 4.320 -0.000 0.000 0.264 537 A C -0.131 177.369 177.584 -0.141 0.000 1.097 537 A CA 0.227 52.131 52.037 -0.223 0.000 0.811 537 A CB 0.151 18.911 19.000 -0.402 0.000 1.072 537 A HN 1.617 nan 8.150 nan 0.000 0.495 538 H N -1.599 117.319 119.070 -0.253 0.000 2.851 538 H HA 0.552 5.108 4.556 -0.000 0.000 0.372 538 H C -1.280 173.952 175.328 -0.160 0.000 1.158 538 H CA -0.762 55.151 56.048 -0.225 0.000 1.159 538 H CB 1.088 30.628 29.762 -0.369 0.000 1.757 538 H HN 0.866 nan 8.280 nan 0.000 0.546 539 W N 5.479 126.205 121.300 -0.957 0.000 2.781 539 W HA 0.456 5.116 4.660 -0.000 0.000 0.345 539 W C -1.015 174.924 176.519 -0.966 0.000 1.085 539 W CA -1.180 55.746 57.345 -0.699 0.000 1.198 539 W CB 0.961 30.244 29.460 -0.294 0.000 1.423 539 W HN 0.508 nan 8.180 nan 0.000 0.532 540 L N 4.036 124.873 121.223 -0.644 0.000 2.599 540 L HA 0.379 4.719 4.340 -0.000 0.000 0.230 540 L C 1.151 177.791 176.870 -0.384 0.000 1.141 540 L CA 0.871 55.425 54.840 -0.477 0.000 0.877 540 L CB -1.150 40.852 42.059 -0.094 0.000 1.009 540 L HN 1.005 nan 8.230 nan 0.000 0.447 541 G N -0.161 108.121 108.800 -0.863 0.000 2.447 541 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 541 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 541 G C -1.063 173.814 174.900 -0.038 0.000 1.261 541 G CA -0.696 43.981 45.100 -0.704 0.000 1.000 541 G HN 0.080 nan 8.290 nan 0.000 0.515 542 D N 2.482 122.918 120.400 0.060 0.000 2.551 542 D HA 0.259 4.899 4.640 -0.000 0.000 0.223 542 D C 1.212 177.691 176.300 0.298 0.000 1.144 542 D CA 0.060 54.081 54.000 0.035 0.000 1.025 542 D CB -0.379 40.453 40.800 0.053 0.000 1.085 542 D HN 0.605 nan 8.370 nan 0.000 0.506 543 N N 0.022 118.919 118.700 0.328 0.000 2.332 543 N HA 0.223 4.962 4.740 -0.000 0.000 0.282 543 N C -0.103 175.627 175.510 0.365 0.000 1.288 543 N CA -0.233 53.036 53.050 0.365 0.000 0.949 543 N CB 0.274 38.996 38.487 0.391 0.000 1.108 543 N HN -0.101 nan 8.380 nan 0.000 0.542 544 T N -1.523 113.221 114.554 0.316 0.000 2.903 544 T HA 0.658 5.008 4.350 -0.000 0.000 0.299 544 T C -0.678 174.149 174.700 0.212 0.000 1.093 544 T CA -0.600 61.625 62.100 0.208 0.000 1.002 544 T CB 1.533 70.514 68.868 0.190 0.000 1.127 544 T HN 0.707 nan 8.240 nan 0.000 0.488 545 A N 2.803 125.681 122.820 0.097 0.000 2.981 545 A HA 0.536 4.856 4.320 -0.000 0.000 0.280 545 A C 0.739 178.370 177.584 0.079 0.000 1.743 545 A CA -0.306 51.808 52.037 0.129 0.000 1.430 545 A CB -1.160 17.842 19.000 0.002 0.000 1.085 545 A HN 0.832 nan 8.150 nan 0.000 0.597 546 T N -3.774 110.823 114.554 0.073 0.000 2.896 546 T HA 0.440 4.789 4.350 -0.000 0.000 0.297 546 T C 0.367 174.935 174.700 -0.221 0.000 1.108 546 T CA -0.676 61.400 62.100 -0.039 0.000 1.004 546 T CB 0.712 69.576 68.868 -0.007 0.000 1.159 546 T HN 0.429 nan 8.240 nan 0.000 0.499 547 W N 0.578 121.781 121.300 -0.162 0.000 2.374 547 W HA 0.036 4.695 4.660 -0.000 0.000 0.288 547 W C 1.796 178.063 176.519 -0.420 0.000 1.218 547 W CA 0.958 58.145 57.345 -0.263 0.000 1.245 547 W CB -0.354 28.998 29.460 -0.179 0.000 1.126 547 W HN 0.744 nan 8.180 nan 0.000 0.545 548 D N 0.287 120.493 120.400 -0.323 0.000 2.084 548 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 548 D C 1.366 176.935 176.300 -1.218 0.000 0.990 548 D CA 1.779 55.241 54.000 -0.897 0.000 0.826 548 D CB -0.636 39.489 40.800 -1.126 0.000 0.971 548 D HN 0.138 nan 8.370 nan 0.000 0.453 549 D N -0.135 119.844 120.400 -0.701 0.000 2.149 549 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 549 D C 1.941 178.054 176.300 -0.312 0.000 0.990 549 D CA 0.429 54.295 54.000 -0.223 0.000 0.839 549 D CB -0.094 40.809 40.800 0.171 0.000 0.948 549 D HN 0.075 nan 8.370 nan 0.000 0.460 550 L N 0.874 121.623 121.223 -0.791 0.000 1.994 550 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 550 L C 1.964 178.566 176.870 -0.446 0.000 1.071 550 L CA 1.743 55.888 54.840 -1.159 0.000 0.745 550 L CB -0.303 40.981 42.059 -1.292 0.000 0.892 550 L HN -0.119 nan 8.230 nan 0.000 0.431 551 R N -1.294 119.024 120.500 -0.302 0.000 2.091 551 R HA -0.215 4.124 4.340 -0.000 0.000 0.238 551 R C 2.019 178.418 176.300 0.166 0.000 1.136 551 R CA 1.903 57.959 56.100 -0.074 0.000 0.959 551 R CB -0.618 29.634 30.300 -0.080 0.000 0.856 551 R HN 0.475 nan 8.270 nan 0.000 0.437 552 W N 0.814 122.166 121.300 0.086 0.000 2.525 552 W HA -0.046 4.614 4.660 -0.000 0.000 0.259 552 W C 2.401 179.003 176.519 0.138 0.000 1.253 552 W CA 0.945 58.371 57.345 0.136 0.000 1.262 552 W CB -0.989 28.556 29.460 0.143 0.000 1.122 552 W HN 0.206 nan 8.180 nan 0.000 0.607 553 S N 0.171 116.064 115.700 0.323 0.000 2.383 553 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 553 S C 1.821 176.545 174.600 0.206 0.000 1.026 553 S CA 1.201 59.562 58.200 0.268 0.000 0.981 553 S CB -0.802 62.600 63.200 0.337 0.000 0.818 553 S HN 0.196 nan 8.310 nan 0.000 0.472 554 I N 2.648 123.344 120.570 0.210 0.000 2.142 554 I HA -0.058 4.112 4.170 -0.000 0.000 0.240 554 I C -0.750 175.395 176.117 0.046 0.000 1.078 554 I CA 1.066 62.425 61.300 0.099 0.000 1.343 554 I CB -1.201 36.868 38.000 0.116 0.000 1.046 554 I HN 0.250 nan 8.210 nan 0.000 0.405 555 P HA -0.135 nan 4.420 nan 0.000 0.218 555 P C 1.567 178.972 177.300 0.175 0.000 1.148 555 P CA 1.666 64.877 63.100 0.184 0.000 0.822 555 P CB -0.235 31.653 31.700 0.314 0.000 0.784 556 G N -0.328 108.581 108.800 0.182 0.000 2.421 556 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 556 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 556 G C 1.647 176.686 174.900 0.230 0.000 1.171 556 G CA 0.605 45.842 45.100 0.228 0.000 0.775 556 G HN 0.138 nan 8.290 nan 0.000 0.543 557 V N 0.989 120.958 119.914 0.091 0.000 2.287 557 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 557 V C 2.947 179.034 176.094 -0.012 0.000 1.053 557 V CA 1.590 63.908 62.300 0.029 0.000 1.027 557 V CB -0.436 31.331 31.823 -0.092 0.000 0.646 557 V HN 0.346 nan 8.190 nan 0.000 0.447 558 L N -0.549 120.599 121.223 -0.124 0.000 2.017 558 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 558 L C 2.570 179.368 176.870 -0.119 0.000 1.073 558 L CA 1.821 56.525 54.840 -0.227 0.000 0.745 558 L CB -0.659 41.041 42.059 -0.597 0.000 0.894 558 L HN 0.358 nan 8.230 nan 0.000 0.432 559 E N -0.307 119.873 120.200 -0.032 0.000 2.085 559 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 559 E C 2.065 178.120 176.600 -0.907 0.000 0.994 559 E CA 1.415 57.610 56.400 -0.342 0.000 0.801 559 E CB -0.125 29.478 29.700 -0.162 0.000 0.743 559 E HN 0.326 nan 8.360 nan 0.000 0.453 560 F N 1.189 120.958 119.950 -0.302 0.000 2.293 560 F HA -0.107 4.419 4.527 -0.000 0.000 0.300 560 F C 2.063 177.815 175.800 -0.080 0.000 1.086 560 F CA 0.763 58.718 58.000 -0.075 0.000 1.375 560 F CB -0.078 39.019 39.000 0.160 0.000 1.045 560 F HN 0.044 nan 8.300 nan 0.000 0.516 561 N N 0.397 119.095 118.700 -0.003 0.000 2.120 561 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 561 N C 2.006 177.474 175.510 -0.071 0.000 1.024 561 N CA 1.154 54.183 53.050 -0.036 0.000 0.852 561 N CB -0.341 38.104 38.487 -0.071 0.000 1.003 561 N HN 0.294 nan 8.380 nan 0.000 0.424 562 L N 0.175 121.304 121.223 -0.156 0.000 2.131 562 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 562 L C 1.497 178.391 176.870 0.040 0.000 1.092 562 L CA 0.928 55.745 54.840 -0.038 0.000 0.759 562 L CB -0.406 41.625 42.059 -0.047 0.000 0.903 562 L HN 0.097 nan 8.230 nan 0.000 0.435 563 F N 0.090 120.057 119.950 0.028 0.000 2.811 563 F HA 0.193 4.719 4.527 -0.000 0.000 0.301 563 F C 1.870 177.648 175.800 -0.037 0.000 1.151 563 F CA 0.283 58.284 58.000 0.001 0.000 1.412 563 F CB -1.094 37.813 39.000 -0.156 0.000 1.113 563 F HN 0.187 nan 8.300 nan 0.000 0.579 564 G N 1.066 109.920 108.800 0.089 0.000 2.147 564 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 564 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 564 G C 0.219 175.142 174.900 0.040 0.000 1.005 564 G CA 0.072 45.153 45.100 -0.032 0.000 0.713 564 G HN 0.388 nan 8.290 nan 0.000 0.515 565 I N 1.010 121.681 120.570 0.168 0.000 2.692 565 I HA 0.213 4.382 4.170 -0.000 0.000 0.285 565 I C -0.963 175.280 176.117 0.211 0.000 1.191 565 I CA -2.141 59.289 61.300 0.217 0.000 1.128 565 I CB 1.255 39.488 38.000 0.389 0.000 1.585 565 I HN -0.078 nan 8.210 nan 0.000 0.558 566 P HA -0.147 nan 4.420 nan 0.000 0.219 566 P C 0.891 178.322 177.300 0.217 0.000 1.150 566 P CA 0.942 64.089 63.100 0.078 0.000 0.814 566 P CB 0.332 31.951 31.700 -0.136 0.000 0.787 567 M N 1.180 120.999 119.600 0.366 0.000 2.821 567 M HA 0.256 4.736 4.480 -0.000 0.000 0.305 567 M C -0.962 175.458 176.300 0.199 0.000 1.466 567 M CA 0.021 55.535 55.300 0.356 0.000 1.526 567 M CB -0.319 32.415 32.600 0.224 0.000 1.321 567 M HN -0.286 nan 8.290 nan 0.000 0.492 568 V N 4.159 124.218 119.914 0.243 0.000 3.012 568 V HA 1.020 5.140 4.120 -0.000 0.000 0.307 568 V C -0.659 175.546 176.094 0.185 0.000 1.166 568 V CA 0.029 62.422 62.300 0.154 0.000 0.974 568 V CB 2.282 34.173 31.823 0.113 0.000 1.040 568 V HN 0.820 nan 8.190 nan 0.000 0.428 569 G N 5.302 114.185 108.800 0.139 0.000 2.576 569 G HA2 0.709 4.669 3.960 -0.000 0.000 0.290 569 G HA3 0.709 4.669 3.960 -0.000 0.000 0.290 569 G C -3.540 171.304 174.900 -0.095 0.000 1.442 569 G CA -0.668 44.357 45.100 -0.125 0.000 0.792 569 G HN 0.668 nan 8.290 nan 0.000 0.491 570 P HA 0.346 nan 4.420 nan 0.000 0.306 570 P C -1.041 176.290 177.300 0.053 0.000 1.309 570 P CA -0.464 62.647 63.100 0.017 0.000 0.759 570 P CB 1.161 32.941 31.700 0.134 0.000 1.314 571 D N 0.262 120.732 120.400 0.117 0.000 2.344 571 D HA 0.238 4.877 4.640 -0.000 0.000 0.253 571 D C 0.443 176.530 176.300 -0.355 0.000 1.255 571 D CA 0.189 54.183 54.000 -0.010 0.000 0.894 571 D CB -0.389 40.519 40.800 0.180 0.000 1.067 571 D HN 0.213 nan 8.370 nan 0.000 0.492 572 I N 1.651 121.987 120.570 -0.390 0.000 2.710 572 I HA -0.131 4.039 4.170 -0.000 0.000 0.286 572 I C 1.049 176.670 176.117 -0.827 0.000 1.181 572 I CA -0.072 60.782 61.300 -0.744 0.000 1.430 572 I CB 0.398 38.266 38.000 -0.220 0.000 1.367 572 I HN 0.610 nan 8.210 nan 0.000 0.577 573 c N 3.814 121.575 118.600 -1.399 0.000 5.538 573 c HA -0.119 4.451 4.570 -0.000 0.000 0.254 573 c C 0.822 174.567 174.090 -0.575 0.000 1.712 573 c CA 0.267 56.213 56.329 -0.639 0.000 1.530 573 c CB -2.409 39.988 42.510 -0.188 0.000 2.410 573 c HN 1.504 nan 8.230 nan 0.000 0.564 574 G N -1.151 107.185 108.800 -0.773 0.000 3.225 574 G HA2 0.113 4.073 3.960 -0.000 0.000 0.686 574 G HA3 0.113 4.073 3.960 -0.000 0.000 0.686 574 G C -0.344 174.514 174.900 -0.070 0.000 1.105 574 G CA 0.079 45.025 45.100 -0.256 0.000 0.831 574 G HN 1.086 nan 8.290 nan 0.000 0.578 575 F N 2.836 122.741 119.950 -0.076 0.000 2.022 575 F HA 0.463 4.989 4.527 -0.000 0.000 0.293 575 F C 1.997 177.751 175.800 -0.076 0.000 1.142 575 F CA 2.288 60.269 58.000 -0.033 0.000 1.177 575 F CB -0.310 38.766 39.000 0.126 0.000 0.982 575 F HN 1.129 nan 8.300 nan 0.000 0.473 576 A N 0.997 123.793 122.820 -0.040 0.000 2.388 576 A HA 0.527 4.847 4.320 -0.000 0.000 0.257 576 A C -0.806 176.357 177.584 -0.702 0.000 1.095 576 A CA -0.282 51.523 52.037 -0.387 0.000 0.791 576 A CB 0.023 19.053 19.000 0.051 0.000 1.029 576 A HN 0.607 nan 8.150 nan 0.000 0.489 577 L N 0.795 121.027 121.223 -1.652 0.000 0.584 577 L HA -0.125 4.215 4.340 -0.000 0.000 0.356 577 L C -0.750 175.733 176.870 -0.646 0.000 1.004 577 L CA 0.074 54.331 54.840 -0.972 0.000 1.223 577 L CB -0.873 40.990 42.059 -0.327 0.000 0.014 577 L HN 0.887 nan 8.230 nan 0.000 0.091 578 D N 0.870 121.139 120.400 -0.217 0.000 2.424 578 D HA 0.275 4.915 4.640 -0.000 0.000 0.244 578 D C 0.413 176.693 176.300 -0.033 0.000 1.134 578 D CA 0.290 54.266 54.000 -0.040 0.000 0.881 578 D CB 0.805 41.628 40.800 0.038 0.000 1.191 578 D HN 0.564 nan 8.370 nan 0.000 0.445 579 T N 2.356 116.919 114.554 0.016 0.000 2.806 579 T HA 0.383 4.733 4.350 -0.000 0.000 0.290 579 T C -2.402 172.375 174.700 0.128 0.000 0.966 579 T CA -1.863 60.274 62.100 0.062 0.000 1.060 579 T CB 0.682 69.600 68.868 0.083 0.000 0.927 579 T HN 0.044 nan 8.240 nan 0.000 0.485 580 P HA 0.136 nan 4.420 nan 0.000 0.269 580 P C 0.843 178.243 177.300 0.167 0.000 1.215 580 P CA -0.305 62.885 63.100 0.148 0.000 0.780 580 P CB 0.557 32.354 31.700 0.162 0.000 0.898 581 E N 2.259 122.583 120.200 0.206 0.000 2.077 581 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 581 E C 1.449 178.056 176.600 0.011 0.000 0.989 581 E CA 1.574 58.055 56.400 0.136 0.000 0.800 581 E CB -0.018 29.801 29.700 0.197 0.000 0.746 581 E HN 0.571 nan 8.360 nan 0.000 0.452 582 E N 0.087 120.356 120.200 0.114 0.000 2.072 582 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 582 E C 2.432 179.107 176.600 0.125 0.000 0.985 582 E CA 0.789 57.290 56.400 0.168 0.000 0.801 582 E CB -0.120 29.756 29.700 0.294 0.000 0.750 582 E HN 0.209 nan 8.360 nan 0.000 0.452 583 L N 1.045 122.270 121.223 0.004 0.000 2.012 583 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 583 L C 2.569 179.309 176.870 -0.217 0.000 1.073 583 L CA 1.955 56.459 54.840 -0.560 0.000 0.748 583 L CB -0.990 40.613 42.059 -0.759 0.000 0.891 583 L HN 0.325 nan 8.230 nan 0.000 0.431 584 c N 0.008 118.556 118.600 -0.086 0.000 2.413 584 c HA -0.181 4.389 4.570 -0.000 0.000 0.277 584 c C 3.101 177.117 174.090 -0.123 0.000 1.265 584 c CA 1.241 57.527 56.329 -0.073 0.000 1.752 584 c CB -0.958 41.466 42.510 -0.143 0.000 1.998 584 c HN 0.718 nan 8.230 nan 0.000 0.489 585 R N -0.006 120.393 120.500 -0.169 0.000 2.073 585 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 585 R C 2.395 178.683 176.300 -0.020 0.000 1.134 585 R CA 1.488 57.518 56.100 -0.117 0.000 0.952 585 R CB -0.292 29.953 30.300 -0.092 0.000 0.850 585 R HN 0.367 nan 8.270 nan 0.000 0.433 586 R N -0.247 120.254 120.500 0.002 0.000 2.115 586 R HA -0.143 4.197 4.340 -0.000 0.000 0.230 586 R C 1.864 178.184 176.300 0.033 0.000 1.111 586 R CA 0.885 56.994 56.100 0.016 0.000 0.976 586 R CB -0.861 29.477 30.300 0.064 0.000 0.870 586 R HN 0.450 nan 8.270 nan 0.000 0.445 587 W N 0.834 122.045 121.300 -0.149 0.000 2.418 587 W HA -0.007 4.653 4.660 -0.000 0.000 0.292 587 W C 1.708 178.195 176.519 -0.054 0.000 1.213 587 W CA 0.707 57.997 57.345 -0.092 0.000 1.283 587 W CB -0.136 29.267 29.460 -0.096 0.000 1.119 587 W HN -0.013 nan 8.180 nan 0.000 0.542 588 M N 0.124 119.824 119.600 0.168 0.000 2.229 588 M HA -0.172 4.307 4.480 -0.000 0.000 0.264 588 M C 1.888 178.204 176.300 0.028 0.000 1.063 588 M CA 1.432 56.765 55.300 0.055 0.000 1.114 588 M CB -1.313 31.266 32.600 -0.035 0.000 1.387 588 M HN 0.117 nan 8.290 nan 0.000 0.420 589 Q N -0.039 119.773 119.800 0.020 0.000 2.020 589 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 589 Q C 2.083 178.072 176.000 -0.019 0.000 0.982 589 Q CA 1.340 57.108 55.803 -0.058 0.000 0.838 589 Q CB -0.367 28.275 28.738 -0.159 0.000 0.899 589 Q HN 0.304 nan 8.270 nan 0.000 0.423 590 L N 0.424 121.637 121.223 -0.015 0.000 2.046 590 L HA -0.039 4.300 4.340 -0.000 0.000 0.208 590 L C 2.070 178.833 176.870 -0.179 0.000 1.077 590 L CA 2.212 57.026 54.840 -0.042 0.000 0.747 590 L CB -0.969 41.041 42.059 -0.083 0.000 0.896 590 L HN 0.216 nan 8.230 nan 0.000 0.432 591 G N -1.175 107.554 108.800 -0.118 0.000 2.448 591 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.219 591 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.219 591 G C 1.552 176.449 174.900 -0.005 0.000 1.127 591 G CA 0.597 45.642 45.100 -0.092 0.000 0.766 591 G HN 0.622 nan 8.290 nan 0.000 0.552 592 A N -0.200 122.549 122.820 -0.118 0.000 2.178 592 A HA 0.234 4.554 4.320 -0.000 0.000 0.218 592 A C 1.528 178.712 177.584 -0.666 0.000 1.157 592 A CA 0.810 52.621 52.037 -0.377 0.000 0.689 592 A CB -0.345 18.322 19.000 -0.555 0.000 0.787 592 A HN 0.354 nan 8.150 nan 0.000 0.465 593 F N -3.077 116.956 119.950 0.138 0.000 2.746 593 F HA 0.309 4.836 4.527 -0.000 0.000 0.320 593 F C -0.234 176.022 175.800 0.759 0.000 1.097 593 F CA -1.082 57.126 58.000 0.346 0.000 1.195 593 F CB 0.082 39.012 39.000 -0.116 0.000 1.056 593 F HN 0.032 nan 8.300 nan 0.000 0.562 594 Y N 2.701 123.372 120.300 0.618 0.000 2.425 594 Y HA 0.159 4.708 4.550 -0.000 0.000 0.331 594 Y C -1.172 174.982 175.900 0.425 0.000 1.157 594 Y CA -3.002 55.382 58.100 0.473 0.000 1.372 594 Y CB -0.154 38.481 38.460 0.291 0.000 1.253 594 Y HN -0.139 nan 8.280 nan 0.000 0.536 595 P HA -0.196 nan 4.420 nan 0.000 0.216 595 P C 0.021 177.562 177.300 0.402 0.000 1.150 595 P CA 1.367 64.690 63.100 0.372 0.000 0.837 595 P CB 0.151 32.029 31.700 0.297 0.000 0.786 596 F N 0.593 120.664 119.950 0.202 0.000 2.361 596 F HA 0.514 5.041 4.527 -0.000 0.000 0.364 596 F C -0.103 175.762 175.800 0.108 0.000 1.120 596 F CA -1.420 56.624 58.000 0.073 0.000 1.102 596 F CB 0.906 39.907 39.000 0.001 0.000 1.183 596 F HN -0.309 nan 8.300 nan 0.000 0.476 597 S N 7.747 123.213 115.700 -0.391 0.000 2.532 597 S HA 0.519 4.989 4.470 -0.000 0.000 0.318 597 S C -0.648 173.609 174.600 -0.572 0.000 1.083 597 S CA -0.591 57.500 58.200 -0.182 0.000 1.131 597 S CB -0.036 63.303 63.200 0.231 0.000 0.973 597 S HN 0.848 nan 8.310 nan 0.000 0.468 598 R N 4.016 124.081 120.500 -0.724 0.000 2.538 598 R HA 0.336 4.675 4.340 -0.000 0.000 0.292 598 R C -1.243 174.820 176.300 -0.396 0.000 1.008 598 R CA -0.657 54.979 56.100 -0.775 0.000 0.896 598 R CB 0.859 30.514 30.300 -1.075 0.000 1.187 598 R HN 0.560 nan 8.270 nan 0.000 0.440 599 N N 2.900 121.397 118.700 -0.337 0.000 2.408 599 N HA 0.083 4.823 4.740 -0.000 0.000 0.257 599 N C -1.563 173.892 175.510 -0.092 0.000 1.064 599 N CA 0.107 53.087 53.050 -0.117 0.000 0.952 599 N CB 0.769 39.316 38.487 0.100 0.000 1.093 599 N HN 0.613 nan 8.380 nan 0.000 0.490 600 H N 2.274 121.247 119.070 -0.163 0.000 2.851 600 H HA 0.540 5.095 4.556 -0.000 0.000 0.372 600 H C -1.397 173.970 175.328 0.064 0.000 1.158 600 H CA -0.726 55.279 56.048 -0.070 0.000 1.159 600 H CB 1.157 30.837 29.762 -0.137 0.000 1.757 600 H HN 0.571 nan 8.280 nan 0.000 0.546 601 N N 1.647 120.122 118.700 -0.375 0.000 2.277 601 N HA 0.457 5.197 4.740 -0.000 0.000 0.286 601 N C -0.442 174.805 175.510 -0.439 0.000 1.140 601 N CA -0.015 52.866 53.050 -0.283 0.000 0.799 601 N CB 2.225 40.624 38.487 -0.146 0.000 1.596 601 N HN 0.859 nan 8.380 nan 0.000 0.473 602 G N 0.257 108.692 108.800 -0.608 0.000 2.616 602 G HA2 0.205 4.165 3.960 -0.000 0.000 0.268 602 G HA3 0.205 4.165 3.960 -0.000 0.000 0.268 602 G C -0.583 174.100 174.900 -0.360 0.000 1.213 602 G CA -0.357 44.243 45.100 -0.835 0.000 0.926 602 G HN 0.688 nan 8.290 nan 0.000 0.523 603 Q N -0.539 118.935 119.800 -0.543 0.000 2.289 603 Q HA 0.397 4.737 4.340 -0.000 0.000 0.273 603 Q C 1.294 176.802 176.000 -0.820 0.000 1.029 603 Q CA 1.067 56.396 55.803 -0.789 0.000 0.896 603 Q CB 0.230 28.281 28.738 -1.146 0.000 1.182 603 Q HN 1.219 nan 8.270 nan 0.000 0.385 604 G N 2.653 111.087 108.800 -0.610 0.000 2.284 604 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.230 604 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.230 604 G C -0.558 174.064 174.900 -0.464 0.000 1.021 604 G CA 0.133 44.904 45.100 -0.548 0.000 0.619 604 G HN 0.627 nan 8.290 nan 0.000 0.510 605 Y N 2.272 122.459 120.300 -0.189 0.000 2.330 605 Y HA 0.446 4.996 4.550 -0.000 0.000 0.341 605 Y C 1.372 177.192 175.900 -0.132 0.000 1.278 605 Y CA -0.109 57.902 58.100 -0.148 0.000 1.453 605 Y CB 0.428 38.788 38.460 -0.166 0.000 1.342 605 Y HN 0.512 nan 8.280 nan 0.000 0.590 606 K N 0.872 121.314 120.400 0.070 0.000 2.336 606 K HA 0.004 4.323 4.320 -0.000 0.000 0.262 606 K C -0.879 175.690 176.600 -0.050 0.000 0.992 606 K CA -0.638 55.636 56.287 -0.021 0.000 0.927 606 K CB 0.317 32.793 32.500 -0.040 0.000 0.956 606 K HN 0.458 nan 8.250 nan 0.000 0.495 607 D N 2.025 122.368 120.400 -0.095 0.000 2.525 607 D HA -0.096 4.544 4.640 -0.000 0.000 0.235 607 D C 0.457 176.665 176.300 -0.154 0.000 1.137 607 D CA 0.604 54.542 54.000 -0.103 0.000 0.868 607 D CB 0.772 41.506 40.800 -0.109 0.000 1.180 607 D HN 0.686 nan 8.370 nan 0.000 0.465 608 Q N 0.341 120.122 119.800 -0.031 0.000 2.093 608 Q HA 0.059 4.398 4.340 -0.000 0.000 0.217 608 Q C -0.561 175.598 176.000 0.266 0.000 0.785 608 Q CA -0.582 55.301 55.803 0.134 0.000 1.038 608 Q CB 0.320 29.147 28.738 0.149 0.000 1.190 608 Q HN 0.486 nan 8.270 nan 0.000 0.468 609 D N 1.116 121.610 120.400 0.157 0.000 2.414 609 D HA 0.037 4.677 4.640 -0.000 0.000 0.242 609 D C -1.834 174.621 176.300 0.257 0.000 1.129 609 D CA -1.225 52.881 54.000 0.177 0.000 0.885 609 D CB 1.596 42.474 40.800 0.131 0.000 1.198 609 D HN -0.144 nan 8.370 nan 0.000 0.437 610 P HA -0.164 nan 4.420 nan 0.000 0.216 610 P C 1.313 178.759 177.300 0.244 0.000 1.153 610 P CA 2.134 65.357 63.100 0.206 0.000 0.858 610 P CB 0.014 31.724 31.700 0.017 0.000 0.789 611 A N -0.241 122.665 122.820 0.142 0.000 2.121 611 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 611 A C 2.202 179.851 177.584 0.107 0.000 1.154 611 A CA 1.638 53.743 52.037 0.113 0.000 0.679 611 A CB -1.475 17.571 19.000 0.075 0.000 0.795 611 A HN 0.322 nan 8.150 nan 0.000 0.458 612 S N -1.232 114.519 115.700 0.085 0.000 2.507 612 S HA -0.029 4.441 4.470 -0.000 0.000 0.235 612 S C 1.251 175.757 174.600 -0.157 0.000 0.988 612 S CA 0.722 58.884 58.200 -0.064 0.000 0.944 612 S CB -0.752 62.349 63.200 -0.164 0.000 0.762 612 S HN 0.409 nan 8.310 nan 0.000 0.526 613 F N 2.438 122.400 119.950 0.019 0.000 2.811 613 F HA 0.408 4.935 4.527 -0.000 0.000 0.301 613 F C 1.504 177.315 175.800 0.017 0.000 1.151 613 F CA 0.500 58.511 58.000 0.019 0.000 1.412 613 F CB -0.047 38.965 39.000 0.019 0.000 1.113 613 F HN 0.488 nan 8.300 nan 0.000 0.579 614 G N -0.322 108.562 108.800 0.141 0.000 3.014 614 G HA2 0.185 4.144 3.960 -0.000 0.000 0.683 614 G HA3 0.185 4.144 3.960 -0.000 0.000 0.683 614 G C 0.463 175.412 174.900 0.081 0.000 1.271 614 G CA -0.744 44.410 45.100 0.090 0.000 0.843 614 G HN 0.261 nan 8.290 nan 0.000 0.612 615 A N 0.844 123.697 122.820 0.054 0.000 2.084 615 A HA 0.047 4.366 4.320 -0.000 0.000 0.221 615 A C 1.522 179.127 177.584 0.035 0.000 1.161 615 A CA 2.379 54.441 52.037 0.042 0.000 0.653 615 A CB -0.026 18.993 19.000 0.031 0.000 0.802 615 A HN 0.646 nan 8.150 nan 0.000 0.457 616 D N -0.715 119.708 120.400 0.037 0.000 2.571 616 D HA 0.122 4.762 4.640 -0.000 0.000 0.239 616 D C 0.149 176.469 176.300 0.033 0.000 1.267 616 D CA 0.467 54.483 54.000 0.027 0.000 0.823 616 D CB 0.301 41.113 40.800 0.020 0.000 1.056 616 D HN 0.487 nan 8.370 nan 0.000 0.494 617 S N 0.156 115.887 115.700 0.052 0.000 2.585 617 S HA 0.082 4.551 4.470 -0.000 0.000 0.273 617 S C 1.326 175.943 174.600 0.028 0.000 1.339 617 S CA -0.589 57.647 58.200 0.059 0.000 1.028 617 S CB 1.878 65.146 63.200 0.113 0.000 0.906 617 S HN 0.053 nan 8.310 nan 0.000 0.528 618 L N 2.165 123.399 121.223 0.018 0.000 2.083 618 L HA 0.034 4.374 4.340 -0.000 0.000 0.209 618 L C 2.182 179.041 176.870 -0.018 0.000 1.083 618 L CA 1.496 56.336 54.840 -0.000 0.000 0.752 618 L CB -0.773 41.288 42.059 0.003 0.000 0.899 618 L HN 0.920 nan 8.230 nan 0.000 0.433 619 L N -1.465 119.728 121.223 -0.050 0.000 1.970 619 L HA -0.231 4.108 4.340 -0.000 0.000 0.212 619 L C 2.454 179.273 176.870 -0.084 0.000 1.071 619 L CA 1.749 56.508 54.840 -0.134 0.000 0.751 619 L CB -0.404 41.431 42.059 -0.374 0.000 0.889 619 L HN 0.366 nan 8.230 nan 0.000 0.432 620 L N 0.691 121.897 121.223 -0.028 0.000 1.989 620 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 620 L C 2.277 179.137 176.870 -0.017 0.000 1.071 620 L CA 1.975 56.811 54.840 -0.006 0.000 0.749 620 L CB -1.068 41.015 42.059 0.039 0.000 0.890 620 L HN 0.361 nan 8.230 nan 0.000 0.431 621 N N -0.816 117.879 118.700 -0.009 0.000 2.061 621 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 621 N C 2.095 177.601 175.510 -0.007 0.000 1.030 621 N CA 1.642 54.684 53.050 -0.014 0.000 0.856 621 N CB -0.628 37.845 38.487 -0.023 0.000 1.023 621 N HN 0.442 nan 8.380 nan 0.000 0.424 622 S N -0.047 115.659 115.700 0.011 0.000 2.368 622 S HA -0.010 4.460 4.470 -0.000 0.000 0.224 622 S C 2.073 176.751 174.600 0.130 0.000 1.029 622 S CA 1.095 59.346 58.200 0.086 0.000 0.988 622 S CB -0.214 63.054 63.200 0.114 0.000 0.838 622 S HN 0.278 nan 8.310 nan 0.000 0.462 623 S N 1.232 116.950 115.700 0.030 0.000 2.359 623 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 623 S C 1.949 176.496 174.600 -0.088 0.000 1.038 623 S CA 1.459 59.633 58.200 -0.044 0.000 1.051 623 S CB -0.475 62.646 63.200 -0.133 0.000 0.944 623 S HN 0.541 nan 8.310 nan 0.000 0.433 624 R N 0.279 120.726 120.500 -0.088 0.000 2.105 624 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 624 R C 2.394 178.639 176.300 -0.093 0.000 1.135 624 R CA 1.541 57.575 56.100 -0.110 0.000 0.967 624 R CB -0.446 29.810 30.300 -0.074 0.000 0.861 624 R HN 0.594 nan 8.270 nan 0.000 0.442 625 H N -0.727 118.241 119.070 -0.171 0.000 2.321 625 H HA -0.189 4.366 4.556 -0.000 0.000 0.300 625 H C 1.410 176.536 175.328 -0.337 0.000 1.087 625 H CA 2.236 58.116 56.048 -0.279 0.000 1.319 625 H CB -0.142 29.376 29.762 -0.407 0.000 1.379 625 H HN 0.324 nan 8.280 nan 0.000 0.501 626 Y N 0.368 120.633 120.300 -0.057 0.000 2.337 626 Y HA -0.079 4.471 4.550 -0.000 0.000 0.293 626 Y C 2.898 178.658 175.900 -0.234 0.000 1.123 626 Y CA 0.311 58.347 58.100 -0.106 0.000 1.201 626 Y CB 0.036 38.527 38.460 0.051 0.000 1.011 626 Y HN 0.108 nan 8.280 nan 0.000 0.545 627 L N -0.188 120.964 121.223 -0.119 0.000 2.083 627 L HA -0.263 4.077 4.340 -0.000 0.000 0.209 627 L C 1.686 178.487 176.870 -0.115 0.000 1.083 627 L CA 1.607 56.350 54.840 -0.161 0.000 0.752 627 L CB -0.530 41.356 42.059 -0.290 0.000 0.899 627 L HN 0.319 nan 8.230 nan 0.000 0.433 628 N N -0.111 118.489 118.700 -0.167 0.000 2.244 628 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 628 N C 1.877 177.375 175.510 -0.019 0.000 1.016 628 N CA 0.877 53.862 53.050 -0.108 0.000 0.866 628 N CB -0.001 38.406 38.487 -0.134 0.000 0.980 628 N HN 0.244 nan 8.380 nan 0.000 0.430 629 I N 0.813 121.322 120.570 -0.103 0.000 2.179 629 I HA -0.278 3.891 4.170 -0.000 0.000 0.242 629 I C 2.584 178.739 176.117 0.063 0.000 1.088 629 I CA 0.930 62.209 61.300 -0.035 0.000 1.357 629 I CB -0.257 37.684 38.000 -0.099 0.000 1.051 629 I HN 0.162 nan 8.210 nan 0.000 0.409 630 R N 0.487 120.986 120.500 -0.003 0.000 2.094 630 R HA -0.254 4.086 4.340 -0.000 0.000 0.239 630 R C 2.445 178.946 176.300 0.335 0.000 1.137 630 R CA 2.141 58.302 56.100 0.103 0.000 0.943 630 R CB -0.465 29.834 30.300 -0.001 0.000 0.850 630 R HN 0.245 nan 8.270 nan 0.000 0.433 631 Y N 0.725 121.087 120.300 0.104 0.000 2.293 631 Y HA -0.086 4.463 4.550 -0.000 0.000 0.291 631 Y C 2.581 178.602 175.900 0.202 0.000 1.137 631 Y CA 1.604 59.795 58.100 0.153 0.000 1.202 631 Y CB -0.541 37.988 38.460 0.116 0.000 0.990 631 Y HN 0.133 nan 8.280 nan 0.000 0.537 632 T N 0.059 114.806 114.554 0.321 0.000 2.803 632 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 632 T C 1.673 176.585 174.700 0.352 0.000 1.052 632 T CA 1.203 63.478 62.100 0.291 0.000 1.136 632 T CB -0.382 68.635 68.868 0.249 0.000 0.864 632 T HN 0.228 nan 8.240 nan 0.000 0.467 633 L N 0.494 121.956 121.223 0.399 0.000 2.628 633 L HA 0.310 4.649 4.340 -0.000 0.000 0.229 633 L C 1.732 178.965 176.870 0.606 0.000 1.137 633 L CA -0.057 55.105 54.840 0.537 0.000 0.909 633 L CB -0.171 42.240 42.059 0.587 0.000 1.137 633 L HN 0.234 nan 8.230 nan 0.000 0.470 634 L N 0.431 121.916 121.223 0.436 0.000 2.131 634 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 634 L C -0.329 176.800 176.870 0.431 0.000 1.092 634 L CA 1.226 56.236 54.840 0.282 0.000 0.759 634 L CB -1.244 40.806 42.059 -0.015 0.000 0.903 634 L HN 0.261 nan 8.230 nan 0.000 0.435 635 P HA -0.214 nan 4.420 nan 0.000 0.218 635 P C 1.196 178.924 177.300 0.713 0.000 1.149 635 P CA 1.192 64.749 63.100 0.762 0.000 0.817 635 P CB -0.022 32.082 31.700 0.673 0.000 0.785 636 Y N 0.446 121.073 120.300 0.546 0.000 2.163 636 Y HA -0.124 4.425 4.550 -0.000 0.000 0.288 636 Y C 2.062 178.220 175.900 0.430 0.000 1.136 636 Y CA 1.088 59.503 58.100 0.524 0.000 1.147 636 Y CB -1.131 37.700 38.460 0.618 0.000 0.987 636 Y HN -0.227 nan 8.280 nan 0.000 0.509 637 L N -0.422 120.963 121.223 0.270 0.000 2.046 637 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 637 L C 2.205 179.180 176.870 0.174 0.000 1.077 637 L CA 2.011 56.808 54.840 -0.072 0.000 0.747 637 L CB -1.477 40.455 42.059 -0.212 0.000 0.896 637 L HN 0.402 nan 8.230 nan 0.000 0.432 638 Y N 0.154 120.553 120.300 0.165 0.000 2.181 638 Y HA -0.229 4.320 4.550 -0.000 0.000 0.288 638 Y C 2.458 178.551 175.900 0.323 0.000 1.146 638 Y CA 2.145 60.391 58.100 0.244 0.000 1.164 638 Y CB -0.793 37.846 38.460 0.298 0.000 0.982 638 Y HN 0.233 nan 8.280 nan 0.000 0.515 639 T N 1.107 115.877 114.554 0.360 0.000 2.788 639 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 639 T C 2.095 176.857 174.700 0.104 0.000 1.044 639 T CA 1.620 63.888 62.100 0.280 0.000 1.139 639 T CB -0.484 68.626 68.868 0.404 0.000 0.867 639 T HN 0.303 nan 8.240 nan 0.000 0.454 640 L N -0.449 120.742 121.223 -0.053 0.000 2.083 640 L HA -0.040 4.300 4.340 -0.000 0.000 0.209 640 L C 2.223 178.931 176.870 -0.271 0.000 1.083 640 L CA 1.346 56.053 54.840 -0.222 0.000 0.752 640 L CB -0.559 41.253 42.059 -0.413 0.000 0.899 640 L HN 0.221 nan 8.230 nan 0.000 0.433 641 F N -0.930 118.908 119.950 -0.186 0.000 2.259 641 F HA -0.210 4.316 4.527 -0.000 0.000 0.298 641 F C 2.296 177.933 175.800 -0.271 0.000 1.088 641 F CA 1.205 59.081 58.000 -0.207 0.000 1.358 641 F CB -0.470 38.422 39.000 -0.180 0.000 1.040 641 F HN -0.008 nan 8.300 nan 0.000 0.505 642 F N 1.222 120.956 119.950 -0.360 0.000 2.102 642 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 642 F C 2.412 177.980 175.800 -0.386 0.000 1.105 642 F CA 1.553 59.170 58.000 -0.638 0.000 1.239 642 F CB -0.386 37.880 39.000 -1.223 0.000 0.991 642 F HN -0.281 nan 8.300 nan 0.000 0.474 643 R N 0.996 121.167 120.500 -0.549 0.000 2.081 643 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 643 R C 2.456 178.512 176.300 -0.408 0.000 1.131 643 R CA 1.282 57.065 56.100 -0.529 0.000 0.960 643 R CB -1.746 28.411 30.300 -0.238 0.000 0.856 643 R HN 0.466 nan 8.270 nan 0.000 0.436 644 A N 0.425 123.058 122.820 -0.311 0.000 1.877 644 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 644 A C 2.120 179.558 177.584 -0.243 0.000 1.186 644 A CA 1.982 53.866 52.037 -0.255 0.000 0.620 644 A CB -0.754 18.098 19.000 -0.247 0.000 0.822 644 A HN 0.494 nan 8.150 nan 0.000 0.443 645 H N 0.621 119.498 119.070 -0.323 0.000 2.389 645 H HA -0.077 4.478 4.556 -0.000 0.000 0.299 645 H C 2.226 177.336 175.328 -0.363 0.000 1.081 645 H CA 2.351 58.213 56.048 -0.309 0.000 1.345 645 H CB -0.009 29.590 29.762 -0.272 0.000 1.393 645 H HN 0.523 nan 8.280 nan 0.000 0.520 646 S N -1.463 113.849 115.700 -0.648 0.000 2.483 646 S HA 0.097 4.567 4.470 -0.000 0.000 0.221 646 S C 2.066 176.385 174.600 -0.467 0.000 1.030 646 S CA 0.274 58.085 58.200 -0.649 0.000 0.925 646 S CB 0.402 63.106 63.200 -0.826 0.000 0.795 646 S HN 0.436 nan 8.310 nan 0.000 0.511 647 R N 0.197 120.440 120.500 -0.427 0.000 2.435 647 R HA 0.357 4.696 4.340 -0.000 0.000 0.221 647 R C 1.144 177.296 176.300 -0.247 0.000 0.885 647 R CA 0.833 56.759 56.100 -0.290 0.000 1.018 647 R CB 0.501 30.648 30.300 -0.256 0.000 1.259 647 R HN 0.528 nan 8.270 nan 0.000 0.597 648 G N 1.527 110.165 108.800 -0.270 0.000 2.144 648 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 648 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 648 G C -0.759 174.033 174.900 -0.179 0.000 0.988 648 G CA 0.118 45.077 45.100 -0.236 0.000 0.659 648 G HN 0.377 nan 8.290 nan 0.000 0.522 649 D N 1.589 121.890 120.400 -0.165 0.000 2.400 649 D HA 0.452 5.092 4.640 -0.000 0.000 0.238 649 D C 1.487 177.715 176.300 -0.121 0.000 1.157 649 D CA 1.045 54.980 54.000 -0.109 0.000 0.889 649 D CB 0.636 41.372 40.800 -0.108 0.000 1.199 649 D HN 0.478 nan 8.370 nan 0.000 0.436 650 T N -2.078 112.437 114.554 -0.064 0.000 2.828 650 T HA 0.336 4.686 4.350 -0.000 0.000 0.290 650 T C 0.960 175.561 174.700 -0.165 0.000 1.019 650 T CA -0.799 61.242 62.100 -0.099 0.000 1.031 650 T CB 0.892 69.730 68.868 -0.051 0.000 1.001 650 T HN 0.071 nan 8.240 nan 0.000 0.531 651 V N 0.404 120.175 119.914 -0.237 0.000 2.784 651 V HA 0.434 4.554 4.120 -0.000 0.000 0.231 651 V C 1.564 177.571 176.094 -0.144 0.000 1.128 651 V CA 0.497 62.586 62.300 -0.353 0.000 1.178 651 V CB -0.807 30.554 31.823 -0.770 0.000 0.943 651 V HN 1.149 nan 8.190 nan 0.000 0.500 652 A N 1.545 124.329 122.820 -0.060 0.000 2.354 652 A HA 0.583 4.903 4.320 -0.000 0.000 0.281 652 A C 0.116 177.736 177.584 0.062 0.000 1.174 652 A CA 0.155 52.297 52.037 0.174 0.000 0.828 652 A CB -0.071 18.997 19.000 0.113 0.000 1.099 652 A HN 0.440 nan 8.150 nan 0.000 0.516 653 R N 3.237 123.832 120.500 0.159 0.000 2.621 653 R HA 0.533 4.872 4.340 -0.000 0.000 0.292 653 R C -3.070 173.231 176.300 0.001 0.000 0.969 653 R CA -1.996 54.098 56.100 -0.010 0.000 0.887 653 R CB 2.078 32.422 30.300 0.072 0.000 1.180 653 R HN 0.401 nan 8.270 nan 0.000 0.450 654 P HA 0.052 nan 4.420 nan 0.000 0.274 654 P C 0.333 177.708 177.300 0.125 0.000 1.231 654 P CA -0.398 62.631 63.100 -0.118 0.000 0.790 654 P CB 0.674 32.224 31.700 -0.251 0.000 0.951 655 L N 2.257 123.621 121.223 0.235 0.000 2.081 655 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 655 L C 2.090 179.245 176.870 0.475 0.000 1.080 655 L CA 1.883 56.967 54.840 0.408 0.000 0.754 655 L CB -1.590 40.693 42.059 0.373 0.000 0.893 655 L HN 0.433 nan 8.230 nan 0.000 0.433 656 L N -3.666 117.808 121.223 0.418 0.000 2.265 656 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 656 L C 2.249 179.421 176.870 0.503 0.000 1.117 656 L CA 1.608 56.742 54.840 0.490 0.000 0.782 656 L CB -1.132 41.206 42.059 0.465 0.000 0.914 656 L HN 0.312 nan 8.230 nan 0.000 0.441 657 H N -0.300 118.908 119.070 0.230 0.000 2.462 657 H HA 0.015 4.571 4.556 -0.000 0.000 0.292 657 H C 1.411 176.867 175.328 0.214 0.000 1.049 657 H CA 1.126 57.307 56.048 0.222 0.000 1.334 657 H CB 0.502 30.339 29.762 0.125 0.000 1.404 657 H HN 0.494 nan 8.280 nan 0.000 0.544 658 E N 0.142 120.421 120.200 0.133 0.000 2.340 658 E HA 0.015 4.365 4.350 -0.000 0.000 0.198 658 E C 0.237 176.398 176.600 -0.732 0.000 0.961 658 E CA 0.332 56.525 56.400 -0.345 0.000 0.905 658 E CB 0.351 29.680 29.700 -0.618 0.000 0.884 658 E HN 0.342 nan 8.360 nan 0.000 0.491 659 F N 0.625 120.606 119.950 0.051 0.000 2.855 659 F HA 0.129 4.655 4.527 -0.000 0.000 0.317 659 F C 0.976 176.811 175.800 0.059 0.000 1.169 659 F CA -0.838 57.163 58.000 0.002 0.000 1.299 659 F CB -0.489 38.618 39.000 0.177 0.000 0.962 659 F HN -0.029 nan 8.300 nan 0.000 0.506 660 Y N -0.808 119.734 120.300 0.403 0.000 2.384 660 Y HA -0.147 4.402 4.550 -0.000 0.000 0.289 660 Y C 1.653 177.898 175.900 0.575 0.000 1.152 660 Y CA 0.812 59.218 58.100 0.510 0.000 1.258 660 Y CB -1.192 37.436 38.460 0.279 0.000 0.979 660 Y HN 0.222 nan 8.280 nan 0.000 0.549 661 E N 0.179 120.562 120.200 0.305 0.000 2.333 661 E HA -0.159 4.190 4.350 -0.000 0.000 0.198 661 E C -0.010 176.729 176.600 0.232 0.000 1.007 661 E CA 0.989 57.581 56.400 0.319 0.000 0.845 661 E CB -0.078 29.720 29.700 0.164 0.000 0.766 661 E HN 0.412 nan 8.360 nan 0.000 0.507 662 D N 0.622 121.140 120.400 0.197 0.000 2.441 662 D HA -0.009 4.631 4.640 -0.000 0.000 0.231 662 D C 0.534 176.645 176.300 -0.316 0.000 1.073 662 D CA -0.475 53.533 54.000 0.014 0.000 0.850 662 D CB 0.470 41.350 40.800 0.135 0.000 1.062 662 D HN -0.092 nan 8.370 nan 0.000 0.524 663 N N 1.880 120.148 118.700 -0.720 0.000 2.520 663 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 663 N C 0.818 175.789 175.510 -0.899 0.000 1.068 663 N CA 0.521 52.598 53.050 -1.621 0.000 0.911 663 N CB -0.115 37.306 38.487 -1.775 0.000 0.961 663 N HN 0.113 nan 8.380 nan 0.000 0.446 664 S N -0.515 114.838 115.700 -0.578 0.000 2.447 664 S HA -0.094 4.376 4.470 -0.000 0.000 0.233 664 S C 1.696 175.963 174.600 -0.555 0.000 1.006 664 S CA 1.388 59.225 58.200 -0.605 0.000 0.957 664 S CB -0.572 62.079 63.200 -0.915 0.000 0.773 664 S HN 0.815 nan 8.310 nan 0.000 0.507 665 T N -1.970 112.397 114.554 -0.311 0.000 3.088 665 T HA -0.008 4.342 4.350 -0.000 0.000 0.259 665 T C 1.192 176.087 174.700 0.325 0.000 1.122 665 T CA 0.103 62.228 62.100 0.041 0.000 1.095 665 T CB -0.312 68.727 68.868 0.285 0.000 0.930 665 T HN 0.386 nan 8.240 nan 0.000 0.508 666 W N 3.454 124.826 121.300 0.120 0.000 2.425 666 W HA 0.160 4.819 4.660 -0.000 0.000 0.277 666 W C 0.769 177.461 176.519 0.288 0.000 1.231 666 W CA 0.701 58.185 57.345 0.233 0.000 1.248 666 W CB -0.608 28.974 29.460 0.203 0.000 1.117 666 W HN 0.636 nan 8.180 nan 0.000 0.568 667 D N -2.108 118.537 120.400 0.409 0.000 2.538 667 D HA 0.148 4.788 4.640 -0.000 0.000 0.231 667 D C -0.126 176.404 176.300 0.384 0.000 1.229 667 D CA -0.110 54.106 54.000 0.361 0.000 0.828 667 D CB -0.634 40.308 40.800 0.236 0.000 1.035 667 D HN -0.300 nan 8.370 nan 0.000 0.495 668 V N 1.920 122.022 119.914 0.315 0.000 2.485 668 V HA 0.122 4.242 4.120 -0.000 0.000 0.287 668 V C 0.708 177.011 176.094 0.347 0.000 1.022 668 V CA 0.493 62.949 62.300 0.259 0.000 1.067 668 V CB 0.034 31.954 31.823 0.162 0.000 0.967 668 V HN 0.601 nan 8.190 nan 0.000 0.479 669 H N 1.445 120.611 119.070 0.160 0.000 3.540 669 H HA 0.319 4.875 4.556 -0.000 0.000 0.259 669 H C 1.001 176.412 175.328 0.138 0.000 1.197 669 H CA -0.308 55.833 56.048 0.155 0.000 1.136 669 H CB 0.278 30.174 29.762 0.223 0.000 1.605 669 H HN 0.521 nan 8.280 nan 0.000 0.657 670 Q N 0.691 120.384 119.800 -0.178 0.000 2.247 670 Q HA 0.246 4.586 4.340 -0.000 0.000 0.204 670 Q C -0.334 175.668 176.000 0.004 0.000 0.872 670 Q CA 0.168 55.896 55.803 -0.125 0.000 0.951 670 Q CB 1.054 29.663 28.738 -0.216 0.000 1.099 670 Q HN 0.553 nan 8.270 nan 0.000 0.501 671 Q N -0.085 119.756 119.800 0.068 0.000 2.456 671 Q HA 0.613 4.953 4.340 -0.000 0.000 0.283 671 Q C -1.169 174.979 176.000 0.248 0.000 1.084 671 Q CA -0.751 55.093 55.803 0.068 0.000 0.801 671 Q CB 2.207 30.918 28.738 -0.045 0.000 1.434 671 Q HN 0.097 nan 8.270 nan 0.000 0.419 672 F N -1.683 118.263 119.950 -0.006 0.000 2.789 672 F HA 0.741 5.267 4.527 -0.000 0.000 0.319 672 F C -2.039 173.814 175.800 0.088 0.000 1.168 672 F CA -1.337 56.687 58.000 0.039 0.000 0.934 672 F CB 1.042 40.072 39.000 0.050 0.000 1.375 672 F HN 0.319 nan 8.300 nan 0.000 0.480 673 L N 0.876 122.255 121.223 0.260 0.000 2.333 673 L HA 0.407 4.747 4.340 -0.000 0.000 0.269 673 L C -1.433 175.736 176.870 0.499 0.000 1.010 673 L CA -0.668 54.316 54.840 0.239 0.000 0.818 673 L CB 1.569 43.812 42.059 0.306 0.000 1.306 673 L HN 0.554 nan 8.230 nan 0.000 0.430 674 W N 2.487 123.908 121.300 0.202 0.000 2.342 674 W HA 0.524 5.184 4.660 -0.000 0.000 0.310 674 W C 0.898 177.588 176.519 0.284 0.000 1.128 674 W CA 0.114 57.628 57.345 0.283 0.000 1.322 674 W CB 0.224 29.922 29.460 0.395 0.000 1.251 674 W HN 0.793 nan 8.180 nan 0.000 0.439 675 G N 5.668 114.643 108.800 0.292 0.000 2.574 675 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.282 675 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.282 675 G C -1.352 173.688 174.900 0.234 0.000 1.257 675 G CA 0.201 45.411 45.100 0.184 0.000 0.956 675 G HN 0.343 nan 8.290 nan 0.000 0.560 676 P HA 0.152 nan 4.420 nan 0.000 0.235 676 P C 1.323 178.552 177.300 -0.119 0.000 1.177 676 P CA 2.060 65.148 63.100 -0.020 0.000 0.785 676 P CB 0.128 31.751 31.700 -0.129 0.000 0.885 677 G N -0.709 108.174 108.800 0.139 0.000 2.944 677 G HA2 0.240 4.199 3.960 -0.000 0.000 0.220 677 G HA3 0.240 4.199 3.960 -0.000 0.000 0.220 677 G C -0.106 175.133 174.900 0.564 0.000 1.100 677 G CA 0.164 45.399 45.100 0.225 0.000 0.780 677 G HN 0.207 nan 8.290 nan 0.000 0.539 678 L N 1.379 122.908 121.223 0.511 0.000 2.343 678 L HA 0.719 5.059 4.340 -0.000 0.000 0.278 678 L C -1.275 175.674 176.870 0.131 0.000 0.996 678 L CA -1.121 53.881 54.840 0.270 0.000 0.831 678 L CB 1.851 44.006 42.059 0.160 0.000 1.232 678 L HN -0.072 nan 8.230 nan 0.000 0.413 679 L N 6.450 127.703 121.223 0.050 0.000 2.264 679 L HA 0.615 4.954 4.340 -0.000 0.000 0.289 679 L C -0.973 175.674 176.870 -0.372 0.000 1.044 679 L CA 0.139 54.872 54.840 -0.179 0.000 0.807 679 L CB 1.004 42.784 42.059 -0.464 0.000 1.192 679 L HN 0.580 nan 8.230 nan 0.000 0.425 680 I N 4.394 124.635 120.570 -0.549 0.000 2.362 680 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 680 I C -0.195 175.625 176.117 -0.496 0.000 0.994 680 I CA 0.089 60.961 61.300 -0.713 0.000 1.158 680 I CB 1.764 39.083 38.000 -1.133 0.000 1.315 680 I HN 0.554 nan 8.210 nan 0.000 0.451 681 T N 7.234 121.564 114.554 -0.373 0.000 3.060 681 T HA 0.375 4.725 4.350 -0.000 0.000 0.367 681 T C -2.590 171.983 174.700 -0.212 0.000 1.229 681 T CA -1.291 60.659 62.100 -0.251 0.000 1.104 681 T CB 0.717 69.455 68.868 -0.217 0.000 1.083 681 T HN 0.262 nan 8.240 nan 0.000 0.524 682 P HA 0.353 nan 4.420 nan 0.000 0.281 682 P C -0.346 176.902 177.300 -0.086 0.000 1.249 682 P CA -0.534 62.490 63.100 -0.127 0.000 0.810 682 P CB 1.013 32.667 31.700 -0.075 0.000 1.008 683 V N 3.715 123.594 119.914 -0.058 0.000 2.455 683 V HA 0.073 4.193 4.120 -0.000 0.000 0.273 683 V C 1.336 177.465 176.094 0.058 0.000 1.045 683 V CA 0.393 62.685 62.300 -0.014 0.000 0.976 683 V CB 0.034 31.859 31.823 0.004 0.000 0.993 683 V HN 0.438 nan 8.190 nan 0.000 0.475 684 L N 3.626 124.882 121.223 0.054 0.000 3.069 684 L HA 0.430 4.769 4.340 -0.000 0.000 0.271 684 L C -0.173 176.801 176.870 0.173 0.000 1.201 684 L CA 0.075 54.990 54.840 0.124 0.000 1.015 684 L CB 0.486 42.552 42.059 0.012 0.000 1.371 684 L HN 0.561 nan 8.230 nan 0.000 0.574 685 D N 1.225 121.600 120.400 -0.042 0.000 2.375 685 D HA 0.133 4.772 4.640 -0.000 0.000 0.247 685 D C -0.455 175.308 176.300 -0.895 0.000 1.061 685 D CA -0.317 53.463 54.000 -0.367 0.000 0.834 685 D CB 2.342 42.995 40.800 -0.245 0.000 1.247 685 D HN 0.029 nan 8.370 nan 0.000 0.489 686 E N 0.485 119.736 120.200 -1.581 0.000 2.480 686 E HA 0.198 4.548 4.350 -0.000 0.000 0.258 686 E C 0.998 177.198 176.600 -0.668 0.000 0.984 686 E CA 0.554 55.969 56.400 -1.643 0.000 0.930 686 E CB 0.239 29.034 29.700 -1.508 0.000 0.936 686 E HN 0.732 nan 8.360 nan 0.000 0.466 687 G N 2.551 111.106 108.800 -0.408 0.000 2.199 687 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 687 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 687 G C 0.267 175.073 174.900 -0.157 0.000 0.982 687 G CA 0.118 45.096 45.100 -0.203 0.000 0.632 687 G HN 0.881 nan 8.290 nan 0.000 0.529 688 A N -0.113 122.590 122.820 -0.194 0.000 2.340 688 A HA 0.737 5.056 4.320 -0.000 0.000 0.268 688 A C 0.603 178.146 177.584 -0.069 0.000 1.100 688 A CA 0.664 52.624 52.037 -0.127 0.000 0.803 688 A CB 0.468 19.380 19.000 -0.146 0.000 1.043 688 A HN 0.437 nan 8.150 nan 0.000 0.488 689 E N 0.186 120.354 120.200 -0.053 0.000 2.876 689 E HA 0.189 4.539 4.350 -0.000 0.000 0.208 689 E C -0.870 175.712 176.600 -0.031 0.000 0.981 689 E CA 0.070 56.452 56.400 -0.030 0.000 1.174 689 E CB 0.564 30.252 29.700 -0.020 0.000 1.047 689 E HN 0.597 nan 8.360 nan 0.000 0.477 690 K N 0.339 120.710 120.400 -0.048 0.000 2.551 690 K HA 0.522 4.842 4.320 -0.000 0.000 0.269 690 K C -1.741 174.812 176.600 -0.079 0.000 0.949 690 K CA -0.736 55.516 56.287 -0.058 0.000 0.849 690 K CB 3.140 35.603 32.500 -0.061 0.000 1.411 690 K HN -0.135 nan 8.250 nan 0.000 0.432 691 V N 2.877 122.731 119.914 -0.101 0.000 2.823 691 V HA 0.477 4.596 4.120 -0.000 0.000 0.312 691 V C -1.156 174.848 176.094 -0.150 0.000 1.072 691 V CA -0.925 61.305 62.300 -0.117 0.000 0.937 691 V CB 2.100 33.854 31.823 -0.114 0.000 1.013 691 V HN 0.673 nan 8.190 nan 0.000 0.430 692 M N 4.916 124.436 119.600 -0.133 0.000 2.105 692 M HA 0.627 5.107 4.480 -0.000 0.000 0.350 692 M C -0.030 176.180 176.300 -0.150 0.000 1.308 692 M CA 0.113 55.329 55.300 -0.140 0.000 1.108 692 M CB 0.253 32.794 32.600 -0.097 0.000 1.622 692 M HN 0.794 nan 8.290 nan 0.000 0.468 693 A N 4.032 126.730 122.820 -0.204 0.000 2.527 693 A HA 0.764 5.084 4.320 -0.000 0.000 0.293 693 A C -2.015 175.456 177.584 -0.187 0.000 1.117 693 A CA -0.621 51.286 52.037 -0.216 0.000 0.723 693 A CB 1.690 20.492 19.000 -0.330 0.000 1.313 693 A HN 0.677 nan 8.150 nan 0.000 0.411 694 Y N 0.778 120.908 120.300 -0.283 0.000 2.352 694 Y HA 0.563 5.113 4.550 -0.000 0.000 0.339 694 Y C -0.836 174.843 175.900 -0.367 0.000 0.992 694 Y CA -0.705 57.231 58.100 -0.273 0.000 1.100 694 Y CB 1.861 40.220 38.460 -0.169 0.000 1.192 694 Y HN 0.432 nan 8.280 nan 0.000 0.458 695 V N 9.285 128.574 119.914 -1.041 0.000 2.333 695 V HA 0.355 4.474 4.120 -0.000 0.000 0.274 695 V C -2.193 173.334 176.094 -0.944 0.000 1.028 695 V CA -2.004 59.758 62.300 -0.896 0.000 0.851 695 V CB 0.895 32.342 31.823 -0.628 0.000 1.000 695 V HN 0.713 nan 8.190 nan 0.000 0.456 696 P HA 0.083 nan 4.420 nan 0.000 0.274 696 P C -0.360 176.835 177.300 -0.176 0.000 1.260 696 P CA -0.373 62.447 63.100 -0.466 0.000 0.793 696 P CB 0.504 31.484 31.700 -1.200 0.000 1.048 697 D N -0.009 120.299 120.400 -0.154 0.000 2.545 697 D HA 0.391 5.030 4.640 -0.000 0.000 0.227 697 D C -0.816 175.529 176.300 0.076 0.000 1.150 697 D CA 0.255 54.270 54.000 0.026 0.000 1.046 697 D CB -1.204 39.656 40.800 0.101 0.000 1.098 697 D HN 0.334 nan 8.370 nan 0.000 0.502 698 A N 1.578 124.395 122.820 -0.005 0.000 2.599 698 A HA 0.532 4.852 4.320 -0.000 0.000 0.290 698 A C -0.937 176.429 177.584 -0.364 0.000 1.101 698 A CA -0.771 51.148 52.037 -0.197 0.000 0.674 698 A CB 1.041 19.797 19.000 -0.407 0.000 1.277 698 A HN 0.068 nan 8.150 nan 0.000 0.419 699 V N 0.351 120.049 119.914 -0.360 0.000 2.572 699 V HA 0.234 4.354 4.120 -0.000 0.000 0.291 699 V C -0.701 175.011 176.094 -0.635 0.000 1.039 699 V CA 0.766 62.838 62.300 -0.379 0.000 1.055 699 V CB -0.208 31.463 31.823 -0.252 0.000 0.969 699 V HN 0.700 nan 8.190 nan 0.000 0.482 700 W N 3.945 125.073 121.300 -0.288 0.000 2.785 700 W HA 0.665 5.324 4.660 -0.000 0.000 0.333 700 W C -0.964 175.356 176.519 -0.331 0.000 1.062 700 W CA -0.586 56.657 57.345 -0.170 0.000 1.233 700 W CB 1.484 30.901 29.460 -0.072 0.000 1.413 700 W HN 0.437 nan 8.180 nan 0.000 0.489 701 Y N 1.373 121.897 120.300 0.373 0.000 2.393 701 Y HA 0.165 4.715 4.550 -0.000 0.000 0.341 701 Y C 0.425 176.471 175.900 0.242 0.000 0.988 701 Y CA -1.263 56.974 58.100 0.228 0.000 1.078 701 Y CB 1.204 39.727 38.460 0.105 0.000 1.203 701 Y HN 0.302 nan 8.280 nan 0.000 0.453 702 D N 2.172 122.759 120.400 0.311 0.000 2.472 702 D HA -0.149 4.491 4.640 -0.000 0.000 0.248 702 D C 0.547 176.859 176.300 0.021 0.000 1.174 702 D CA 0.500 54.533 54.000 0.056 0.000 0.883 702 D CB 0.608 41.442 40.800 0.057 0.000 1.149 702 D HN 0.796 nan 8.370 nan 0.000 0.488 703 Y N 4.921 125.119 120.300 -0.170 0.000 2.145 703 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 703 Y C 1.950 177.799 175.900 -0.085 0.000 1.145 703 Y CA 1.616 59.634 58.100 -0.138 0.000 1.148 703 Y CB 0.238 38.582 38.460 -0.194 0.000 0.981 703 Y HN 0.503 nan 8.280 nan 0.000 0.507 704 E N -0.729 119.497 120.200 0.042 0.000 2.047 704 E HA -0.181 4.168 4.350 -0.000 0.000 0.191 704 E C 2.113 178.654 176.600 -0.099 0.000 0.987 704 E CA 2.101 58.498 56.400 -0.003 0.000 0.799 704 E CB -0.436 29.333 29.700 0.116 0.000 0.752 704 E HN 0.645 nan 8.360 nan 0.000 0.449 705 T N -3.301 111.215 114.554 -0.064 0.000 3.051 705 T HA 0.253 4.602 4.350 -0.000 0.000 0.255 705 T C 1.629 176.281 174.700 -0.081 0.000 1.085 705 T CA 0.761 62.822 62.100 -0.065 0.000 1.109 705 T CB 0.602 69.449 68.868 -0.035 0.000 0.921 705 T HN 0.324 nan 8.240 nan 0.000 0.488 706 G N 1.500 110.255 108.800 -0.074 0.000 2.176 706 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.253 706 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.253 706 G C 0.300 175.243 174.900 0.070 0.000 0.979 706 G CA 0.452 45.515 45.100 -0.062 0.000 0.641 706 G HN 1.338 nan 8.290 nan 0.000 0.530 707 S N -0.208 115.537 115.700 0.075 0.000 2.565 707 S HA 0.542 5.012 4.470 -0.000 0.000 0.274 707 S C 0.251 174.945 174.600 0.157 0.000 1.309 707 S CA 0.393 58.652 58.200 0.098 0.000 1.043 707 S CB 1.600 64.801 63.200 0.002 0.000 0.939 707 S HN 0.649 nan 8.310 nan 0.000 0.504 708 Q N 2.678 122.554 119.800 0.127 0.000 2.296 708 Q HA 0.362 4.702 4.340 -0.000 0.000 0.262 708 Q C 0.101 176.004 176.000 -0.161 0.000 0.981 708 Q CA -0.785 54.963 55.803 -0.092 0.000 0.905 708 Q CB 0.857 29.509 28.738 -0.144 0.000 1.186 708 Q HN 0.802 nan 8.270 nan 0.000 0.399 709 V N 2.360 122.150 119.914 -0.206 0.000 2.881 709 V HA 0.190 4.310 4.120 -0.000 0.000 0.303 709 V C 0.821 176.695 176.094 -0.367 0.000 1.070 709 V CA -0.117 61.947 62.300 -0.395 0.000 1.074 709 V CB 1.271 32.834 31.823 -0.433 0.000 1.012 709 V HN 0.938 nan 8.190 nan 0.000 0.482 710 R N 1.704 121.877 120.500 -0.544 0.000 2.119 710 R HA 0.094 4.434 4.340 -0.000 0.000 0.222 710 R C 0.395 176.590 176.300 -0.174 0.000 1.088 710 R CA 0.742 56.639 56.100 -0.337 0.000 0.984 710 R CB -0.000 30.092 30.300 -0.346 0.000 0.884 710 R HN 0.778 nan 8.270 nan 0.000 0.447 711 W N 2.130 123.371 121.300 -0.100 0.000 2.231 711 W HA 0.107 4.767 4.660 -0.000 0.000 0.341 711 W C 0.475 176.934 176.519 -0.101 0.000 1.298 711 W CA -0.172 57.092 57.345 -0.134 0.000 1.266 711 W CB -0.089 29.240 29.460 -0.218 0.000 1.172 711 W HN 0.088 nan 8.180 nan 0.000 0.568 712 R N 2.501 123.065 120.500 0.107 0.000 2.542 712 R HA 0.120 4.460 4.340 -0.000 0.000 0.284 712 R C -0.182 176.085 176.300 -0.056 0.000 1.167 712 R CA -0.805 55.320 56.100 0.041 0.000 1.000 712 R CB 0.694 31.019 30.300 0.041 0.000 1.229 712 R HN 0.553 nan 8.270 nan 0.000 0.416 713 K N 3.295 123.590 120.400 -0.175 0.000 3.372 713 K HA -0.226 4.093 4.320 -0.000 0.000 0.272 713 K C -1.630 174.853 176.600 -0.194 0.000 1.037 713 K CA 1.712 57.885 56.287 -0.190 0.000 0.777 713 K CB -0.708 31.794 32.500 0.003 0.000 1.347 713 K HN 0.816 nan 8.250 nan 0.000 0.460 714 Q N -0.409 119.079 119.800 -0.519 0.000 2.578 714 Q HA 0.367 4.707 4.340 -0.000 0.000 0.284 714 Q C -1.432 174.346 176.000 -0.369 0.000 0.960 714 Q CA -1.429 54.235 55.803 -0.232 0.000 0.809 714 Q CB 0.922 29.585 28.738 -0.125 0.000 1.462 714 Q HN 0.067 nan 8.270 nan 0.000 0.392 715 K N 0.872 121.248 120.400 -0.039 0.000 2.270 715 K HA 0.503 4.823 4.320 -0.000 0.000 0.276 715 K C -0.166 176.279 176.600 -0.258 0.000 1.023 715 K CA -0.296 55.944 56.287 -0.078 0.000 0.955 715 K CB 1.376 33.885 32.500 0.014 0.000 0.975 715 K HN 0.509 nan 8.250 nan 0.000 0.471 716 V N -1.021 118.653 119.914 -0.399 0.000 3.007 716 V HA 0.368 4.487 4.120 -0.000 0.000 0.311 716 V C -0.995 174.852 176.094 -0.412 0.000 1.120 716 V CA -1.128 60.847 62.300 -0.541 0.000 0.980 716 V CB 1.864 32.949 31.823 -1.230 0.000 1.033 716 V HN 0.868 nan 8.190 nan 0.000 0.429 717 E N 4.143 124.163 120.200 -0.300 0.000 2.044 717 E HA 0.461 4.811 4.350 -0.000 0.000 0.282 717 E C -0.393 176.064 176.600 -0.237 0.000 1.031 717 E CA -0.531 55.741 56.400 -0.213 0.000 0.824 717 E CB 1.467 31.101 29.700 -0.111 0.000 1.076 717 E HN 0.812 nan 8.360 nan 0.000 0.395 718 M N 3.495 122.922 119.600 -0.288 0.000 2.146 718 M HA 0.106 4.586 4.480 -0.000 0.000 0.357 718 M C -0.250 176.014 176.300 -0.060 0.000 1.261 718 M CA -0.263 54.895 55.300 -0.237 0.000 1.106 718 M CB 0.990 33.401 32.600 -0.316 0.000 1.612 718 M HN 0.614 nan 8.290 nan 0.000 0.470 719 E N 6.015 126.244 120.200 0.048 0.000 2.180 719 E HA 0.300 4.650 4.350 -0.000 0.000 0.283 719 E C -1.651 174.973 176.600 0.040 0.000 1.061 719 E CA -0.138 56.285 56.400 0.040 0.000 0.861 719 E CB 0.549 30.287 29.700 0.063 0.000 1.056 719 E HN 0.708 nan 8.360 nan 0.000 0.407 720 L N 7.223 128.452 121.223 0.009 0.000 2.492 720 L HA 0.350 4.689 4.340 -0.000 0.000 0.258 720 L C -2.387 174.487 176.870 0.007 0.000 1.028 720 L CA -1.973 52.872 54.840 0.008 0.000 0.900 720 L CB 1.537 43.585 42.059 -0.019 0.000 1.191 720 L HN 0.385 nan 8.230 nan 0.000 0.459 721 P HA 0.061 nan 4.420 nan 0.000 0.272 721 P C 1.149 178.463 177.300 0.023 0.000 1.254 721 P CA -0.139 62.970 63.100 0.015 0.000 0.795 721 P CB 0.729 32.438 31.700 0.015 0.000 1.022 722 G N 0.852 109.665 108.800 0.023 0.000 2.532 722 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.222 722 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.222 722 G C 0.611 175.537 174.900 0.044 0.000 1.102 722 G CA 1.075 46.194 45.100 0.033 0.000 0.742 722 G HN 0.663 nan 8.290 nan 0.000 0.577 723 D N -1.153 119.276 120.400 0.048 0.000 2.424 723 D HA 0.163 4.803 4.640 -0.000 0.000 0.220 723 D C 0.236 176.642 176.300 0.176 0.000 1.150 723 D CA -0.081 53.966 54.000 0.079 0.000 0.831 723 D CB 0.367 41.176 40.800 0.016 0.000 0.981 723 D HN -0.031 nan 8.370 nan 0.000 0.500 724 K N 0.735 121.214 120.400 0.132 0.000 2.422 724 K HA 0.520 4.839 4.320 -0.000 0.000 0.251 724 K C -0.863 175.713 176.600 -0.039 0.000 0.933 724 K CA -0.748 55.627 56.287 0.147 0.000 0.798 724 K CB 3.004 35.562 32.500 0.097 0.000 1.238 724 K HN 0.136 nan 8.250 nan 0.000 0.428 725 I N -0.301 120.131 120.570 -0.230 0.000 2.646 725 I HA 0.472 4.642 4.170 -0.000 0.000 0.299 725 I C 0.001 175.952 176.117 -0.275 0.000 1.036 725 I CA -0.661 60.431 61.300 -0.347 0.000 1.074 725 I CB 1.952 39.598 38.000 -0.591 0.000 1.258 725 I HN 0.642 nan 8.210 nan 0.000 0.430 726 G N 7.400 116.062 108.800 -0.230 0.000 2.361 726 G HA2 0.477 4.437 3.960 -0.000 0.000 0.260 726 G HA3 0.477 4.437 3.960 -0.000 0.000 0.260 726 G C -0.991 173.702 174.900 -0.345 0.000 1.261 726 G CA -0.292 44.705 45.100 -0.171 0.000 0.897 726 G HN 0.533 nan 8.290 nan 0.000 0.499 727 L N 2.914 123.864 121.223 -0.454 0.000 2.441 727 L HA 0.389 4.728 4.340 -0.000 0.000 0.270 727 L C -0.948 175.573 176.870 -0.583 0.000 0.973 727 L CA -0.835 53.696 54.840 -0.514 0.000 0.842 727 L CB 2.109 43.849 42.059 -0.532 0.000 1.239 727 L HN 0.601 nan 8.230 nan 0.000 0.406 728 H N 2.872 121.882 119.070 -0.101 0.000 2.637 728 H HA 0.625 5.181 4.556 -0.000 0.000 0.363 728 H C -0.901 174.589 175.328 0.271 0.000 1.131 728 H CA -0.518 55.600 56.048 0.116 0.000 1.183 728 H CB 2.263 32.072 29.762 0.078 0.000 1.637 728 H HN 0.359 nan 8.280 nan 0.000 0.531 729 L N 2.148 123.632 121.223 0.435 0.000 2.295 729 L HA 0.466 4.805 4.340 -0.000 0.000 0.285 729 L C 0.423 177.617 176.870 0.539 0.000 1.035 729 L CA -0.707 54.332 54.840 0.332 0.000 0.806 729 L CB 1.401 43.440 42.059 -0.032 0.000 1.214 729 L HN 0.416 nan 8.230 nan 0.000 0.426 730 R N 1.361 122.105 120.500 0.408 0.000 2.389 730 R HA 0.284 4.623 4.340 -0.000 0.000 0.295 730 R C 0.254 176.731 176.300 0.296 0.000 1.075 730 R CA -0.265 55.782 56.100 -0.090 0.000 1.005 730 R CB 0.962 31.139 30.300 -0.206 0.000 0.987 730 R HN 0.825 nan 8.270 nan 0.000 0.452 731 G N 1.192 110.077 108.800 0.141 0.000 2.432 731 G HA2 0.346 4.306 3.960 -0.000 0.000 0.239 731 G HA3 0.346 4.306 3.960 -0.000 0.000 0.239 731 G C 0.770 175.825 174.900 0.258 0.000 1.291 731 G CA 0.282 45.563 45.100 0.303 0.000 0.863 731 G HN 0.903 nan 8.290 nan 0.000 0.560 732 G N 0.234 109.134 108.800 0.167 0.000 2.179 732 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 732 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 732 G C 0.004 174.635 174.900 -0.447 0.000 0.990 732 G CA 0.319 45.358 45.100 -0.103 0.000 0.646 732 G HN 0.791 nan 8.290 nan 0.000 0.517 733 Y N -0.213 120.115 120.300 0.046 0.000 2.446 733 Y HA 0.744 5.294 4.550 -0.000 0.000 0.345 733 Y C 0.562 176.335 175.900 -0.211 0.000 0.984 733 Y CA -1.112 56.906 58.100 -0.137 0.000 1.058 733 Y CB 1.637 39.929 38.460 -0.280 0.000 1.220 733 Y HN 0.081 nan 8.280 nan 0.000 0.455 734 I N 3.659 124.121 120.570 -0.180 0.000 2.406 734 I HA 0.330 4.499 4.170 -0.000 0.000 0.290 734 I C -1.336 174.664 176.117 -0.195 0.000 0.999 734 I CA -0.559 60.689 61.300 -0.086 0.000 1.124 734 I CB 1.069 39.085 38.000 0.027 0.000 1.289 734 I HN 0.408 nan 8.210 nan 0.000 0.441 735 F N 7.416 127.407 119.950 0.069 0.000 2.402 735 F HA 0.421 4.947 4.527 -0.000 0.000 0.355 735 F C -2.150 173.732 175.800 0.137 0.000 1.123 735 F CA -2.450 55.591 58.000 0.068 0.000 1.021 735 F CB 1.215 40.175 39.000 -0.067 0.000 1.160 735 F HN 0.211 nan 8.300 nan 0.000 0.451 736 P HA 0.247 nan 4.420 nan 0.000 0.280 736 P C -0.448 177.123 177.300 0.451 0.000 1.244 736 P CA -0.203 63.153 63.100 0.427 0.000 0.784 736 P CB 1.604 33.669 31.700 0.607 0.000 0.913 737 T N -0.423 114.342 114.554 0.352 0.000 2.864 737 T HA 0.618 4.967 4.350 -0.000 0.000 0.289 737 T C -1.100 173.731 174.700 0.219 0.000 1.082 737 T CA -0.758 61.531 62.100 0.315 0.000 1.009 737 T CB 1.964 70.991 68.868 0.265 0.000 1.234 737 T HN 0.494 nan 8.240 nan 0.000 0.526 738 Q N 0.238 120.168 119.800 0.216 0.000 2.284 738 Q HA 0.293 4.633 4.340 -0.000 0.000 0.269 738 Q C -1.170 174.923 176.000 0.155 0.000 1.026 738 Q CA -0.591 55.295 55.803 0.137 0.000 0.831 738 Q CB 2.110 30.939 28.738 0.150 0.000 1.322 738 Q HN 0.758 nan 8.270 nan 0.000 0.419 739 Q N 4.512 124.371 119.800 0.098 0.000 2.308 739 Q HA 0.038 4.378 4.340 -0.000 0.000 0.313 739 Q C -2.023 174.055 176.000 0.130 0.000 1.075 739 Q CA -0.537 55.322 55.803 0.093 0.000 0.995 739 Q CB 0.382 29.152 28.738 0.054 0.000 1.107 739 Q HN 0.423 nan 8.270 nan 0.000 0.380 740 P HA 0.130 nan 4.420 nan 0.000 0.276 740 P C -0.649 176.727 177.300 0.126 0.000 1.244 740 P CA -0.262 62.945 63.100 0.179 0.000 0.801 740 P CB 1.090 32.879 31.700 0.148 0.000 1.006 741 N N -0.914 117.878 118.700 0.154 0.000 3.316 741 N HA 0.191 4.930 4.740 -0.000 0.000 0.300 741 N C 0.658 176.192 175.510 0.040 0.000 1.567 741 N CA -0.296 52.804 53.050 0.082 0.000 0.821 741 N CB 0.687 39.231 38.487 0.094 0.000 1.748 741 N HN 0.325 nan 8.380 nan 0.000 0.603 742 T N -2.968 111.594 114.554 0.013 0.000 3.100 742 T HA 0.168 4.517 4.350 -0.000 0.000 0.253 742 T C 0.697 175.435 174.700 0.063 0.000 1.118 742 T CA 0.822 62.900 62.100 -0.037 0.000 1.058 742 T CB -0.582 68.278 68.868 -0.013 0.000 0.953 742 T HN 0.620 nan 8.240 nan 0.000 0.515 743 T N -1.645 113.007 114.554 0.162 0.000 2.896 743 T HA 0.488 4.838 4.350 -0.000 0.000 0.297 743 T C 1.061 175.947 174.700 0.309 0.000 1.108 743 T CA -0.075 62.169 62.100 0.240 0.000 1.004 743 T CB 1.710 70.626 68.868 0.080 0.000 1.159 743 T HN 0.067 nan 8.240 nan 0.000 0.499 744 T N -0.251 114.477 114.554 0.291 0.000 3.023 744 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 744 T C 1.891 176.688 174.700 0.162 0.000 1.093 744 T CA 0.678 62.934 62.100 0.260 0.000 1.129 744 T CB -0.452 68.585 68.868 0.282 0.000 0.899 744 T HN 0.417 nan 8.240 nan 0.000 0.491 745 L N 1.590 122.872 121.223 0.099 0.000 2.042 745 L HA 0.099 4.439 4.340 -0.000 0.000 0.210 745 L C 2.722 179.616 176.870 0.040 0.000 1.076 745 L CA 1.966 56.825 54.840 0.031 0.000 0.749 745 L CB -0.932 41.117 42.059 -0.017 0.000 0.893 745 L HN 0.362 nan 8.230 nan 0.000 0.432 746 A N -1.420 121.440 122.820 0.066 0.000 1.911 746 A HA -0.080 4.240 4.320 -0.000 0.000 0.212 746 A C 2.428 180.068 177.584 0.094 0.000 1.189 746 A CA 1.223 53.298 52.037 0.062 0.000 0.639 746 A CB -0.994 18.038 19.000 0.053 0.000 0.839 746 A HN 0.590 nan 8.150 nan 0.000 0.449 747 S N 0.312 116.104 115.700 0.153 0.000 2.383 747 S HA -0.221 4.249 4.470 -0.000 0.000 0.229 747 S C 1.902 176.604 174.600 0.170 0.000 1.030 747 S CA 1.452 59.767 58.200 0.192 0.000 1.002 747 S CB -0.535 62.851 63.200 0.310 0.000 0.829 747 S HN 0.561 nan 8.310 nan 0.000 0.467 748 R N 1.203 121.789 120.500 0.144 0.000 2.285 748 R HA 0.123 4.462 4.340 -0.000 0.000 0.213 748 R C 1.859 178.241 176.300 0.137 0.000 1.068 748 R CA 1.042 57.226 56.100 0.140 0.000 1.004 748 R CB -0.118 30.159 30.300 -0.039 0.000 0.873 748 R HN 0.539 nan 8.270 nan 0.000 0.467 749 K N -0.227 120.220 120.400 0.079 0.000 2.426 749 K HA 0.059 4.379 4.320 -0.000 0.000 0.193 749 K C 0.160 176.768 176.600 0.013 0.000 1.028 749 K CA 0.066 56.378 56.287 0.042 0.000 1.047 749 K CB 0.204 32.721 32.500 0.028 0.000 0.821 749 K HN 0.072 nan 8.250 nan 0.000 0.513 750 N N 1.368 120.081 118.700 0.022 0.000 2.458 750 N HA 0.219 4.958 4.740 -0.000 0.000 0.271 750 N C -2.640 172.837 175.510 -0.055 0.000 1.210 750 N CA -2.071 50.979 53.050 -0.000 0.000 0.978 750 N CB 0.376 38.884 38.487 0.035 0.000 1.206 750 N HN -0.223 nan 8.380 nan 0.000 0.536 751 P HA 0.099 nan 4.420 nan 0.000 0.268 751 P C -0.374 176.853 177.300 -0.122 0.000 1.208 751 P CA 0.246 63.284 63.100 -0.103 0.000 0.777 751 P CB 0.607 32.271 31.700 -0.059 0.000 0.875 752 L N 0.903 121.988 121.223 -0.229 0.000 2.365 752 L HA 0.849 5.188 4.340 -0.000 0.000 0.267 752 L C 0.975 177.841 176.870 -0.007 0.000 1.033 752 L CA -0.386 54.311 54.840 -0.239 0.000 0.802 752 L CB 1.365 42.965 42.059 -0.766 0.000 1.267 752 L HN 0.423 nan 8.230 nan 0.000 0.457 753 G N 0.294 109.194 108.800 0.168 0.000 2.672 753 G HA2 0.739 4.699 3.960 -0.000 0.000 0.292 753 G HA3 0.739 4.699 3.960 -0.000 0.000 0.292 753 G C -1.750 173.279 174.900 0.216 0.000 1.375 753 G CA -0.570 44.650 45.100 0.200 0.000 0.890 753 G HN 0.346 nan 8.290 nan 0.000 0.476 754 L N 0.387 121.628 121.223 0.029 0.000 2.386 754 L HA 0.568 4.907 4.340 -0.000 0.000 0.271 754 L C -0.665 176.167 176.870 -0.062 0.000 0.993 754 L CA -0.775 53.997 54.840 -0.114 0.000 0.819 754 L CB 2.433 44.236 42.059 -0.426 0.000 1.294 754 L HN 0.326 nan 8.230 nan 0.000 0.414 755 I N 4.152 124.735 120.570 0.022 0.000 2.355 755 I HA 0.380 4.550 4.170 -0.000 0.000 0.288 755 I C -0.425 175.756 176.117 0.107 0.000 0.999 755 I CA -0.281 61.044 61.300 0.040 0.000 1.163 755 I CB 1.524 39.557 38.000 0.055 0.000 1.316 755 I HN 0.405 nan 8.210 nan 0.000 0.454 756 I N 6.197 126.766 120.570 -0.002 0.000 2.330 756 I HA 0.402 4.572 4.170 -0.000 0.000 0.286 756 I C 0.362 176.467 176.117 -0.020 0.000 1.025 756 I CA -0.354 60.953 61.300 0.012 0.000 1.197 756 I CB 1.342 39.321 38.000 -0.034 0.000 1.358 756 I HN 0.607 nan 8.210 nan 0.000 0.467 757 A N 8.329 131.204 122.820 0.091 0.000 2.294 757 A HA 0.592 4.912 4.320 -0.000 0.000 0.316 757 A C -0.180 177.476 177.584 0.120 0.000 1.359 757 A CA -0.469 51.565 52.037 -0.004 0.000 0.956 757 A CB 0.179 19.360 19.000 0.301 0.000 1.155 757 A HN 0.697 nan 8.150 nan 0.000 0.544 758 L N 2.695 123.949 121.223 0.052 0.000 2.426 758 L HA 0.203 4.543 4.340 -0.000 0.000 0.271 758 L C 0.619 177.631 176.870 0.237 0.000 1.169 758 L CA -0.623 54.305 54.840 0.147 0.000 0.836 758 L CB 0.618 42.752 42.059 0.124 0.000 1.112 758 L HN 0.874 nan 8.230 nan 0.000 0.465 759 D N 1.093 121.579 120.400 0.143 0.000 2.447 759 D HA 0.029 4.669 4.640 -0.000 0.000 0.265 759 D C 0.722 177.074 176.300 0.087 0.000 1.250 759 D CA -0.468 53.596 54.000 0.106 0.000 1.046 759 D CB 0.546 41.379 40.800 0.056 0.000 1.095 759 D HN 0.452 nan 8.370 nan 0.000 0.555 760 E N -0.899 119.333 120.200 0.053 0.000 2.171 760 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 760 E C 0.878 177.503 176.600 0.041 0.000 0.997 760 E CA 1.275 57.700 56.400 0.041 0.000 0.810 760 E CB -0.246 29.470 29.700 0.025 0.000 0.738 760 E HN 0.350 nan 8.360 nan 0.000 0.467 761 N N 0.641 119.366 118.700 0.041 0.000 2.314 761 N HA 0.002 4.742 4.740 -0.000 0.000 0.200 761 N C -0.531 175.010 175.510 0.051 0.000 1.135 761 N CA 0.217 53.289 53.050 0.037 0.000 0.835 761 N CB 0.579 39.084 38.487 0.029 0.000 0.989 761 N HN -0.029 nan 8.380 nan 0.000 0.478 762 K N 0.161 120.603 120.400 0.071 0.000 3.117 762 K HA -0.181 4.138 4.320 -0.000 0.000 0.269 762 K C -0.603 176.059 176.600 0.104 0.000 1.098 762 K CA 0.740 57.089 56.287 0.103 0.000 0.785 762 K CB -2.191 30.377 32.500 0.113 0.000 1.242 762 K HN 0.529 nan 8.250 nan 0.000 0.491 763 E N -0.522 119.721 120.200 0.072 0.000 2.299 763 E HA 0.815 5.164 4.350 -0.000 0.000 0.265 763 E C -0.500 176.117 176.600 0.029 0.000 0.911 763 E CA -0.806 55.624 56.400 0.050 0.000 0.789 763 E CB 2.232 31.944 29.700 0.020 0.000 1.246 763 E HN 0.274 nan 8.360 nan 0.000 0.427 764 A N 1.570 124.396 122.820 0.010 0.000 2.612 764 A HA 0.682 5.002 4.320 -0.000 0.000 0.293 764 A C -1.474 176.080 177.584 -0.050 0.000 1.075 764 A CA -0.733 51.277 52.037 -0.045 0.000 0.680 764 A CB 1.776 20.782 19.000 0.011 0.000 1.279 764 A HN 0.471 nan 8.150 nan 0.000 0.411 765 K N -0.549 119.773 120.400 -0.130 0.000 2.508 765 K HA 0.733 5.053 4.320 -0.000 0.000 0.260 765 K C -0.238 176.363 176.600 0.002 0.000 0.949 765 K CA -0.107 56.153 56.287 -0.044 0.000 0.834 765 K CB 2.782 35.236 32.500 -0.078 0.000 1.365 765 K HN 1.465 nan 8.250 nan 0.000 0.437 766 G N 0.593 109.491 108.800 0.163 0.000 2.554 766 G HA2 0.540 4.500 3.960 -0.000 0.000 0.306 766 G HA3 0.540 4.500 3.960 -0.000 0.000 0.306 766 G C -1.880 173.195 174.900 0.292 0.000 1.320 766 G CA -0.695 44.569 45.100 0.273 0.000 0.800 766 G HN 0.627 nan 8.290 nan 0.000 0.481 767 E N -1.841 118.564 120.200 0.340 0.000 2.423 767 E HA 0.658 5.008 4.350 -0.000 0.000 0.280 767 E C -2.198 174.593 176.600 0.319 0.000 1.030 767 E CA -1.035 55.420 56.400 0.092 0.000 0.812 767 E CB 2.422 32.203 29.700 0.135 0.000 1.313 767 E HN 0.914 nan 8.360 nan 0.000 0.456 768 L N 1.532 122.873 121.223 0.197 0.000 2.470 768 L HA 0.598 4.938 4.340 -0.000 0.000 0.268 768 L C -1.985 175.100 176.870 0.358 0.000 0.964 768 L CA -0.624 54.474 54.840 0.430 0.000 0.839 768 L CB 1.805 44.234 42.059 0.617 0.000 1.276 768 L HN 0.679 nan 8.230 nan 0.000 0.403 769 F N 5.639 125.728 119.950 0.232 0.000 2.421 769 F HA 0.659 5.186 4.527 -0.000 0.000 0.337 769 F C -1.406 174.620 175.800 0.377 0.000 1.105 769 F CA -0.214 57.808 58.000 0.038 0.000 1.049 769 F CB 1.003 39.730 39.000 -0.456 0.000 1.139 769 F HN 0.622 nan 8.300 nan 0.000 0.479 770 W N 8.804 129.645 121.300 -0.766 0.000 3.042 770 W HA 0.275 4.935 4.660 -0.000 0.000 0.337 770 W C -1.799 174.383 176.519 -0.560 0.000 1.086 770 W CA -0.639 56.456 57.345 -0.417 0.000 1.236 770 W CB 1.888 31.319 29.460 -0.048 0.000 1.381 770 W HN 0.758 nan 8.180 nan 0.000 0.472 771 D N 1.462 121.360 120.400 -0.836 0.000 2.867 771 D HA 0.142 4.781 4.640 -0.000 0.000 0.308 771 D C 0.552 176.235 176.300 -1.027 0.000 1.202 771 D CA -0.245 53.248 54.000 -0.844 0.000 1.035 771 D CB 0.178 40.659 40.800 -0.533 0.000 1.427 771 D HN 0.278 nan 8.370 nan 0.000 0.570 772 D N -1.612 118.178 120.400 -1.016 0.000 2.363 772 D HA 0.143 4.783 4.640 -0.000 0.000 0.226 772 D C 1.590 177.631 176.300 -0.433 0.000 1.020 772 D CA 1.041 54.670 54.000 -0.619 0.000 0.892 772 D CB -0.390 40.172 40.800 -0.398 0.000 0.900 772 D HN 0.885 nan 8.370 nan 0.000 0.531 773 G N 0.690 109.241 108.800 -0.415 0.000 2.179 773 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 773 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 773 G C 0.730 175.548 174.900 -0.136 0.000 0.977 773 G CA 0.715 45.612 45.100 -0.338 0.000 0.641 773 G HN 0.611 nan 8.290 nan 0.000 0.533 774 E N -2.139 117.998 120.200 -0.106 0.000 2.641 774 E HA 0.142 4.492 4.350 -0.000 0.000 0.201 774 E C 0.355 176.932 176.600 -0.038 0.000 0.921 774 E CA 0.367 56.741 56.400 -0.043 0.000 1.551 774 E CB 0.045 29.756 29.700 0.019 0.000 1.640 774 E HN 0.252 nan 8.360 nan 0.000 0.906 775 T N 2.175 116.694 114.554 -0.057 0.000 2.901 775 T HA 0.145 4.495 4.350 -0.000 0.000 0.301 775 T C -0.193 174.491 174.700 -0.026 0.000 1.012 775 T CA -0.114 61.965 62.100 -0.035 0.000 1.135 775 T CB 1.490 70.333 68.868 -0.041 0.000 0.936 775 T HN 0.058 nan 8.240 nan 0.000 0.539 776 K N 1.848 122.241 120.400 -0.011 0.000 2.326 776 K HA 0.059 4.379 4.320 -0.000 0.000 0.275 776 K C 0.025 176.631 176.600 0.010 0.000 1.018 776 K CA -0.206 56.075 56.287 -0.011 0.000 0.962 776 K CB 0.316 32.818 32.500 0.004 0.000 0.953 776 K HN 0.643 nan 8.250 nan 0.000 0.475 777 D N 1.375 121.784 120.400 0.015 0.000 3.017 777 D HA -0.161 4.479 4.640 -0.000 0.000 0.220 777 D C 0.845 177.198 176.300 0.088 0.000 1.141 777 D CA 1.417 55.452 54.000 0.058 0.000 0.848 777 D CB -1.517 39.320 40.800 0.061 0.000 1.102 777 D HN 0.858 nan 8.370 nan 0.000 0.427 778 T N -3.524 111.078 114.554 0.080 0.000 2.915 778 T HA -0.050 4.299 4.350 -0.000 0.000 0.269 778 T C 1.922 176.793 174.700 0.285 0.000 1.071 778 T CA 1.373 63.555 62.100 0.136 0.000 1.132 778 T CB -0.062 68.851 68.868 0.076 0.000 0.878 778 T HN 0.179 nan 8.240 nan 0.000 0.479 779 V N 1.848 121.904 119.914 0.237 0.000 2.379 779 V HA 0.125 4.244 4.120 -0.000 0.000 0.243 779 V C 3.256 179.548 176.094 0.331 0.000 1.035 779 V CA 1.191 63.675 62.300 0.308 0.000 1.035 779 V CB -1.354 30.595 31.823 0.209 0.000 0.673 779 V HN 0.622 nan 8.190 nan 0.000 0.457 780 A N 0.867 123.820 122.820 0.221 0.000 1.892 780 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 780 A C 1.832 179.511 177.584 0.158 0.000 1.188 780 A CA 2.572 54.708 52.037 0.166 0.000 0.631 780 A CB -0.899 18.174 19.000 0.122 0.000 0.822 780 A HN 0.716 nan 8.150 nan 0.000 0.447 781 N N -0.413 118.381 118.700 0.157 0.000 2.383 781 N HA 0.109 4.848 4.740 -0.000 0.000 0.192 781 N C -0.633 174.960 175.510 0.138 0.000 1.141 781 N CA 0.002 53.127 53.050 0.124 0.000 0.851 781 N CB 0.003 38.548 38.487 0.097 0.000 0.976 781 N HN 0.335 nan 8.380 nan 0.000 0.465 782 K N 0.491 121.023 120.400 0.220 0.000 3.730 782 K HA -0.157 4.163 4.320 -0.000 0.000 0.276 782 K C -1.073 175.552 176.600 0.042 0.000 0.904 782 K CA 0.221 56.598 56.287 0.151 0.000 0.741 782 K CB -1.441 31.075 32.500 0.027 0.000 1.542 782 K HN 0.049 nan 8.250 nan 0.000 0.446 783 V N 2.424 122.448 119.914 0.184 0.000 2.225 783 V HA 0.346 4.466 4.120 -0.000 0.000 0.264 783 V C -0.496 175.717 176.094 0.197 0.000 1.067 783 V CA -0.530 61.847 62.300 0.130 0.000 0.903 783 V CB -0.699 31.190 31.823 0.110 0.000 1.136 783 V HN 0.444 nan 8.190 nan 0.000 0.456 784 Y N 1.991 122.325 120.300 0.057 0.000 2.713 784 Y HA 0.808 5.358 4.550 -0.000 0.000 0.335 784 Y C -1.670 174.239 175.900 0.015 0.000 1.222 784 Y CA -1.838 56.232 58.100 -0.050 0.000 1.061 784 Y CB 1.647 40.008 38.460 -0.165 0.000 1.314 784 Y HN 0.206 nan 8.280 nan 0.000 0.453 785 L N 2.770 124.093 121.223 0.167 0.000 2.329 785 L HA 0.807 5.147 4.340 -0.000 0.000 0.279 785 L C -1.811 175.166 176.870 0.178 0.000 1.014 785 L CA -0.865 54.060 54.840 0.140 0.000 0.814 785 L CB 1.580 43.757 42.059 0.196 0.000 1.257 785 L HN 0.768 nan 8.230 nan 0.000 0.424 786 L N 6.417 127.745 121.223 0.175 0.000 2.404 786 L HA 0.664 5.004 4.340 -0.000 0.000 0.272 786 L C -0.777 176.148 176.870 0.092 0.000 0.980 786 L CA -0.167 54.790 54.840 0.195 0.000 0.836 786 L CB 1.138 43.395 42.059 0.329 0.000 1.238 786 L HN 0.938 nan 8.230 nan 0.000 0.408 787 C N 1.364 120.674 119.300 0.016 0.000 2.595 787 C HA 0.936 5.396 4.460 -0.000 0.000 0.338 787 C C -0.309 174.471 174.990 -0.349 0.000 1.219 787 C CA -0.887 58.048 59.018 -0.140 0.000 1.811 787 C CB 1.431 29.077 27.740 -0.157 0.000 2.313 787 C HN 0.844 nan 8.230 nan 0.000 0.499 788 E N 0.080 120.055 120.200 -0.375 0.000 2.222 788 E HA 0.668 5.018 4.350 -0.000 0.000 0.267 788 E C -1.566 174.785 176.600 -0.415 0.000 0.884 788 E CA -0.137 56.051 56.400 -0.354 0.000 0.764 788 E CB 1.591 31.230 29.700 -0.101 0.000 1.169 788 E HN 0.548 nan 8.360 nan 0.000 0.413 789 F N 1.128 121.107 119.950 0.048 0.000 2.469 789 F HA 0.563 5.090 4.527 -0.000 0.000 0.332 789 F C 0.172 175.978 175.800 0.011 0.000 1.103 789 F CA -0.892 57.115 58.000 0.011 0.000 0.979 789 F CB 1.884 40.873 39.000 -0.018 0.000 1.137 789 F HN 0.320 nan 8.300 nan 0.000 0.463 790 S N 0.936 116.743 115.700 0.180 0.000 2.575 790 S HA 0.803 5.273 4.470 -0.000 0.000 0.278 790 S C -1.462 173.194 174.600 0.093 0.000 1.139 790 S CA -0.811 57.451 58.200 0.103 0.000 0.954 790 S CB 1.457 64.690 63.200 0.055 0.000 1.054 790 S HN 0.382 nan 8.310 nan 0.000 0.483 791 V N 2.486 122.450 119.914 0.084 0.000 2.459 791 V HA 0.720 4.840 4.120 -0.000 0.000 0.295 791 V C -0.549 175.578 176.094 0.056 0.000 1.029 791 V CA -0.289 62.071 62.300 0.101 0.000 0.874 791 V CB 1.921 33.848 31.823 0.174 0.000 0.985 791 V HN 1.093 nan 8.190 nan 0.000 0.438 792 T N 4.173 118.730 114.554 0.005 0.000 3.008 792 T HA 0.350 4.699 4.350 -0.000 0.000 0.328 792 T C 0.378 175.041 174.700 -0.062 0.000 1.020 792 T CA -0.330 61.762 62.100 -0.013 0.000 1.043 792 T CB 1.379 70.230 68.868 -0.028 0.000 1.010 792 T HN 0.742 nan 8.240 nan 0.000 0.466 793 Q N 1.684 121.496 119.800 0.021 0.000 1.829 793 Q HA -0.324 4.015 4.340 -0.000 0.000 0.170 793 Q C 0.545 176.499 176.000 -0.077 0.000 2.943 793 Q CA 2.305 58.144 55.803 0.059 0.000 0.197 793 Q CB -0.620 28.140 28.738 0.037 0.000 0.216 793 Q HN 0.574 nan 8.270 nan 0.000 0.361 794 N N -0.320 118.085 118.700 -0.491 0.000 2.241 794 N HA 0.247 4.986 4.740 -0.000 0.000 0.238 794 N C -0.996 173.574 175.510 -1.568 0.000 1.244 794 N CA 0.109 52.471 53.050 -1.148 0.000 0.880 794 N CB 1.149 39.289 38.487 -0.578 0.000 1.179 794 N HN 0.193 nan 8.380 nan 0.000 0.513 795 R N 0.764 120.499 120.500 -1.275 0.000 2.522 795 R HA 0.298 4.638 4.340 -0.000 0.000 0.273 795 R C -1.980 174.136 176.300 -0.308 0.000 1.133 795 R CA -0.659 55.012 56.100 -0.714 0.000 0.969 795 R CB 1.094 31.177 30.300 -0.361 0.000 1.235 795 R HN 0.010 nan 8.270 nan 0.000 0.433 796 L N 2.957 124.149 121.223 -0.051 0.000 2.296 796 L HA 0.526 4.865 4.340 -0.000 0.000 0.286 796 L C -0.952 175.972 176.870 0.090 0.000 1.023 796 L CA 0.170 55.087 54.840 0.129 0.000 0.812 796 L CB 1.686 43.894 42.059 0.248 0.000 1.223 796 L HN 0.611 nan 8.230 nan 0.000 0.421 797 E N 4.425 124.682 120.200 0.095 0.000 2.158 797 E HA 0.439 4.789 4.350 -0.000 0.000 0.271 797 E C -1.252 175.439 176.600 0.152 0.000 0.911 797 E CA -0.853 55.607 56.400 0.100 0.000 0.767 797 E CB 2.325 32.061 29.700 0.060 0.000 1.120 797 E HN 0.459 nan 8.360 nan 0.000 0.405 798 V N 4.099 124.120 119.914 0.179 0.000 2.350 798 V HA 0.226 4.346 4.120 -0.000 0.000 0.276 798 V C 0.062 176.222 176.094 0.110 0.000 1.028 798 V CA -0.730 61.692 62.300 0.202 0.000 0.860 798 V CB 0.952 32.952 31.823 0.296 0.000 0.990 798 V HN 0.591 nan 8.190 nan 0.000 0.453 799 N N 4.271 122.988 118.700 0.028 0.000 2.314 799 N HA 0.513 5.252 4.740 -0.000 0.000 0.304 799 N C -1.333 174.170 175.510 -0.012 0.000 1.073 799 N CA -0.561 52.495 53.050 0.010 0.000 0.822 799 N CB 2.115 40.603 38.487 0.001 0.000 1.280 799 N HN 0.380 nan 8.380 nan 0.000 0.489 800 I N 2.507 123.083 120.570 0.010 0.000 2.354 800 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 800 I C 1.565 177.692 176.117 0.016 0.000 1.007 800 I CA -0.222 61.087 61.300 0.015 0.000 1.167 800 I CB 0.807 38.824 38.000 0.028 0.000 1.320 800 I HN 0.577 nan 8.210 nan 0.000 0.458 801 S N 4.984 120.700 115.700 0.026 0.000 2.470 801 S HA 0.088 4.558 4.470 -0.000 0.000 0.222 801 S C 0.590 175.208 174.600 0.029 0.000 1.024 801 S CA 0.196 58.419 58.200 0.039 0.000 0.931 801 S CB 0.372 63.611 63.200 0.064 0.000 0.791 801 S HN 0.649 nan 8.310 nan 0.000 0.513 802 Q N 0.233 120.041 119.800 0.014 0.000 2.289 802 Q HA 0.629 4.969 4.340 -0.000 0.000 0.270 802 Q C -1.322 174.637 176.000 -0.068 0.000 1.038 802 Q CA -0.238 55.522 55.803 -0.073 0.000 0.812 802 Q CB 2.118 30.738 28.738 -0.196 0.000 1.300 802 Q HN 0.058 nan 8.270 nan 0.000 0.427 803 S N 2.214 117.869 115.700 -0.075 0.000 2.569 803 S HA 0.219 4.688 4.470 -0.000 0.000 0.215 803 S C -0.399 174.184 174.600 -0.029 0.000 1.096 803 S CA 0.249 58.432 58.200 -0.028 0.000 1.183 803 S CB -0.035 63.162 63.200 -0.005 0.000 1.324 803 S HN 0.706 nan 8.310 nan 0.000 0.421 804 T N -0.661 113.861 114.554 -0.053 0.000 3.214 804 T HA 0.351 4.700 4.350 -0.000 0.000 0.264 804 T C -0.429 174.335 174.700 0.106 0.000 1.012 804 T CA -0.319 61.776 62.100 -0.009 0.000 0.901 804 T CB -0.263 68.572 68.868 -0.055 0.000 1.070 804 T HN 0.423 nan 8.240 nan 0.000 0.561 805 Y N 1.124 121.411 120.300 -0.022 0.000 2.362 805 Y HA 0.582 5.132 4.550 -0.000 0.000 0.326 805 Y C -1.248 174.680 175.900 0.047 0.000 1.083 805 Y CA -1.753 56.357 58.100 0.017 0.000 1.073 805 Y CB 1.759 40.234 38.460 0.026 0.000 1.211 805 Y HN 0.034 nan 8.280 nan 0.000 0.433 806 K N 5.340 125.421 120.400 -0.532 0.000 2.449 806 K HA 0.241 4.560 4.320 -0.000 0.000 0.257 806 K C -0.958 175.228 176.600 -0.690 0.000 0.989 806 K CA -0.510 55.522 56.287 -0.425 0.000 0.916 806 K CB 0.652 33.026 32.500 -0.210 0.000 1.136 806 K HN 0.669 nan 8.250 nan 0.000 0.439 807 D N 5.138 125.232 120.400 -0.509 0.000 2.487 807 D HA 0.001 4.641 4.640 -0.000 0.000 0.243 807 D C -1.495 174.717 176.300 -0.147 0.000 1.154 807 D CA -1.266 52.582 54.000 -0.253 0.000 0.876 807 D CB 1.364 42.272 40.800 0.180 0.000 1.161 807 D HN 0.403 nan 8.370 nan 0.000 0.478 808 P HA 0.030 nan 4.420 nan 0.000 0.242 808 P C 0.100 177.384 177.300 -0.026 0.000 1.197 808 P CA 0.546 63.613 63.100 -0.056 0.000 0.765 808 P CB 0.109 31.792 31.700 -0.028 0.000 0.936 809 N N -0.046 118.650 118.700 -0.006 0.000 2.322 809 N HA -0.002 4.738 4.740 -0.000 0.000 0.194 809 N C -0.124 175.368 175.510 -0.030 0.000 1.126 809 N CA -0.130 52.917 53.050 -0.005 0.000 0.845 809 N CB -0.540 37.960 38.487 0.022 0.000 0.976 809 N HN -0.068 nan 8.380 nan 0.000 0.475 810 N N 0.913 119.585 118.700 -0.046 0.000 2.699 810 N HA -0.161 4.579 4.740 -0.000 0.000 0.257 810 N C -1.325 174.137 175.510 -0.080 0.000 1.077 810 N CA 0.354 53.371 53.050 -0.055 0.000 0.702 810 N CB -1.167 37.297 38.487 -0.037 0.000 0.886 810 N HN 0.210 nan 8.380 nan 0.000 0.549 811 L N 0.153 121.302 121.223 -0.125 0.000 2.357 811 L HA 0.827 5.167 4.340 -0.000 0.000 0.273 811 L C 0.794 177.523 176.870 -0.235 0.000 1.080 811 L CA -0.326 54.390 54.840 -0.207 0.000 0.803 811 L CB 1.531 43.397 42.059 -0.322 0.000 1.174 811 L HN 0.445 nan 8.230 nan 0.000 0.443 812 A N 1.938 124.593 122.820 -0.275 0.000 2.574 812 A HA 0.668 4.988 4.320 -0.000 0.000 0.297 812 A C -1.202 176.189 177.584 -0.323 0.000 1.062 812 A CA -0.573 51.322 52.037 -0.237 0.000 0.686 812 A CB 0.881 19.816 19.000 -0.109 0.000 1.285 812 A HN 0.424 nan 8.150 nan 0.000 0.403 813 F N 2.491 122.366 119.950 -0.126 0.000 2.541 813 F HA 0.195 4.722 4.527 -0.000 0.000 0.378 813 F C 1.621 177.342 175.800 -0.131 0.000 1.068 813 F CA 0.481 58.404 58.000 -0.128 0.000 1.199 813 F CB 0.774 39.688 39.000 -0.143 0.000 1.091 813 F HN 0.715 nan 8.300 nan 0.000 0.555 814 N N 1.387 120.111 118.700 0.040 0.000 2.171 814 N HA 0.059 4.799 4.740 -0.000 0.000 0.212 814 N C -0.474 175.032 175.510 -0.006 0.000 1.184 814 N CA -0.002 53.046 53.050 -0.004 0.000 0.888 814 N CB 0.517 38.987 38.487 -0.028 0.000 1.038 814 N HN 0.725 nan 8.380 nan 0.000 0.517 815 E N 0.352 120.562 120.200 0.015 0.000 2.321 815 E HA 0.412 4.761 4.350 -0.000 0.000 0.281 815 E C -1.635 174.948 176.600 -0.029 0.000 0.910 815 E CA -0.519 55.871 56.400 -0.016 0.000 0.770 815 E CB 1.828 31.520 29.700 -0.014 0.000 1.225 815 E HN 0.105 nan 8.360 nan 0.000 0.417 816 I N 3.903 124.426 120.570 -0.077 0.000 2.447 816 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 816 I C -0.425 175.614 176.117 -0.129 0.000 1.023 816 I CA -0.695 60.534 61.300 -0.118 0.000 1.083 816 I CB 1.821 39.729 38.000 -0.152 0.000 1.245 816 I HN 0.229 nan 8.210 nan 0.000 0.434 817 K N 7.585 127.910 120.400 -0.125 0.000 2.235 817 K HA 0.652 4.972 4.320 -0.000 0.000 0.266 817 K C -1.174 175.330 176.600 -0.161 0.000 0.980 817 K CA -0.514 55.688 56.287 -0.141 0.000 0.849 817 K CB 1.286 33.702 32.500 -0.140 0.000 1.098 817 K HN 0.556 nan 8.250 nan 0.000 0.445 818 I N 6.254 126.715 120.570 -0.183 0.000 2.406 818 I HA 0.294 4.463 4.170 -0.000 0.000 0.290 818 I C -0.522 175.477 176.117 -0.196 0.000 0.999 818 I CA -0.951 60.233 61.300 -0.192 0.000 1.124 818 I CB 1.385 39.234 38.000 -0.253 0.000 1.289 818 I HN 0.406 nan 8.210 nan 0.000 0.441 819 L N 5.060 126.108 121.223 -0.291 0.000 2.325 819 L HA 0.625 4.965 4.340 -0.000 0.000 0.278 819 L C 0.969 177.612 176.870 -0.379 0.000 1.023 819 L CA -0.615 53.937 54.840 -0.480 0.000 0.811 819 L CB 1.582 43.031 42.059 -1.017 0.000 1.249 819 L HN 0.935 nan 8.230 nan 0.000 0.431 820 G N 1.000 109.745 108.800 -0.091 0.000 2.182 820 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 820 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 820 G C 0.053 175.030 174.900 0.128 0.000 1.042 820 G CA 0.423 45.642 45.100 0.198 0.000 0.775 820 G HN 0.686 nan 8.290 nan 0.000 0.501 821 T N -0.396 114.222 114.554 0.106 0.000 2.888 821 T HA 0.572 4.922 4.350 -0.000 0.000 0.284 821 T C 0.307 175.106 174.700 0.166 0.000 1.017 821 T CA -0.545 61.626 62.100 0.118 0.000 1.022 821 T CB 1.225 70.130 68.868 0.061 0.000 1.013 821 T HN 0.180 nan 8.240 nan 0.000 0.465 822 E N 1.883 122.125 120.200 0.070 0.000 2.369 822 E HA 0.136 4.486 4.350 -0.000 0.000 0.255 822 E C 0.079 176.575 176.600 -0.172 0.000 1.172 822 E CA -0.370 56.040 56.400 0.018 0.000 0.932 822 E CB 0.429 30.055 29.700 -0.122 0.000 1.040 822 E HN 0.737 nan 8.360 nan 0.000 0.454 823 E N 2.174 122.017 120.200 -0.595 0.000 2.498 823 E HA 0.015 4.364 4.350 -0.000 0.000 0.252 823 E C -2.120 174.235 176.600 -0.408 0.000 1.025 823 E CA -1.233 54.502 56.400 -1.109 0.000 0.938 823 E CB 0.312 29.512 29.700 -0.834 0.000 0.947 823 E HN 0.011 nan 8.360 nan 0.000 0.478 824 P HA 0.103 nan 4.420 nan 0.000 0.277 824 P C -1.271 175.896 177.300 -0.222 0.000 1.240 824 P CA -0.435 62.432 63.100 -0.388 0.000 0.798 824 P CB 1.528 32.808 31.700 -0.700 0.000 0.979 825 S N 0.146 115.786 115.700 -0.100 0.000 2.618 825 S HA 0.526 4.995 4.470 -0.000 0.000 0.277 825 S C -0.445 174.160 174.600 0.008 0.000 1.138 825 S CA -0.712 57.458 58.200 -0.050 0.000 0.844 825 S CB 0.726 63.900 63.200 -0.044 0.000 1.127 825 S HN 0.381 nan 8.310 nan 0.000 0.474 826 N N -0.656 118.049 118.700 0.007 0.000 2.754 826 N HA -0.112 4.628 4.740 -0.000 0.000 0.248 826 N C -0.451 175.090 175.510 0.051 0.000 1.093 826 N CA 0.755 53.819 53.050 0.022 0.000 0.699 826 N CB -1.992 36.503 38.487 0.015 0.000 1.016 826 N HN 0.683 nan 8.380 nan 0.000 0.552 827 V N 0.626 120.574 119.914 0.057 0.000 2.529 827 V HA 0.162 4.282 4.120 -0.000 0.000 0.292 827 V C 1.039 177.177 176.094 0.073 0.000 1.028 827 V CA 0.473 62.832 62.300 0.097 0.000 1.074 827 V CB 1.075 32.932 31.823 0.056 0.000 0.958 827 V HN 0.259 nan 8.190 nan 0.000 0.481 828 T N 4.580 119.189 114.554 0.091 0.000 2.861 828 T HA 0.578 4.928 4.350 -0.000 0.000 0.287 828 T C -0.509 174.242 174.700 0.085 0.000 1.003 828 T CA -0.457 61.684 62.100 0.068 0.000 0.977 828 T CB 1.882 70.779 68.868 0.048 0.000 0.996 828 T HN 0.331 nan 8.240 nan 0.000 0.448 829 V N 3.692 123.656 119.914 0.085 0.000 2.417 829 V HA 0.519 4.639 4.120 -0.000 0.000 0.291 829 V C -0.149 176.039 176.094 0.157 0.000 1.024 829 V CA -0.804 61.566 62.300 0.116 0.000 0.861 829 V CB 1.565 33.436 31.823 0.079 0.000 0.985 829 V HN 0.723 nan 8.190 nan 0.000 0.436 830 K N 2.553 123.071 120.400 0.197 0.000 2.318 830 K HA 0.533 4.852 4.320 -0.000 0.000 0.249 830 K C -0.938 175.826 176.600 0.272 0.000 0.942 830 K CA -0.763 55.637 56.287 0.189 0.000 0.808 830 K CB 2.354 34.918 32.500 0.107 0.000 1.189 830 K HN 0.845 nan 8.250 nan 0.000 0.428 831 H N 3.360 122.459 119.070 0.049 0.000 2.685 831 H HA 0.158 4.713 4.556 -0.000 0.000 0.307 831 H C -0.566 174.680 175.328 -0.138 0.000 1.017 831 H CA -0.438 55.518 56.048 -0.154 0.000 1.237 831 H CB 0.402 30.079 29.762 -0.141 0.000 1.409 831 H HN 0.660 nan 8.280 nan 0.000 0.488 832 N N 4.049 122.738 118.700 -0.018 0.000 2.714 832 N HA -0.213 4.527 4.740 -0.000 0.000 0.252 832 N C 1.044 176.518 175.510 -0.059 0.000 1.014 832 N CA 1.419 54.421 53.050 -0.080 0.000 0.735 832 N CB -1.075 37.307 38.487 -0.176 0.000 0.924 832 N HN 1.126 nan 8.380 nan 0.000 0.540 833 G N -2.597 106.196 108.800 -0.011 0.000 2.241 833 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.244 833 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.244 833 G C 0.026 174.928 174.900 0.003 0.000 0.998 833 G CA 0.219 45.316 45.100 -0.005 0.000 0.621 833 G HN 0.456 nan 8.290 nan 0.000 0.519 834 V N 3.597 123.511 119.914 -0.000 0.000 2.368 834 V HA 0.447 4.567 4.120 -0.000 0.000 0.266 834 V C -1.492 174.632 176.094 0.051 0.000 1.045 834 V CA -1.565 60.740 62.300 0.009 0.000 0.899 834 V CB 1.152 32.963 31.823 -0.020 0.000 1.006 834 V HN 0.247 nan 8.190 nan 0.000 0.470 835 P HA 0.251 nan 4.420 nan 0.000 0.267 835 P C -0.146 177.189 177.300 0.058 0.000 1.205 835 P CA 0.589 63.723 63.100 0.057 0.000 0.765 835 P CB 1.319 33.042 31.700 0.038 0.000 0.828 839 S N 4.253 119.962 115.700 0.015 0.000 2.774 839 S HA 0.725 5.195 4.470 -0.000 0.000 0.297 839 S C -2.821 171.781 174.600 0.003 0.000 1.143 839 S CA -0.935 57.272 58.200 0.012 0.000 1.090 839 S CB 0.563 63.770 63.200 0.011 0.000 1.019 839 S HN 0.681 nan 8.310 nan 0.000 0.482 840 P HA 0.288 nan 4.420 nan 0.000 0.272 840 P C -0.512 176.778 177.300 -0.018 0.000 1.223 840 P CA -0.217 62.875 63.100 -0.013 0.000 0.784 840 P CB 0.509 32.198 31.700 -0.017 0.000 0.923 841 T N 1.339 115.879 114.554 -0.024 0.000 2.856 841 T HA 0.375 4.724 4.350 -0.000 0.000 0.292 841 T C -0.173 174.506 174.700 -0.036 0.000 0.980 841 T CA -0.272 61.813 62.100 -0.024 0.000 1.091 841 T CB 0.408 69.263 68.868 -0.022 0.000 0.936 841 T HN 0.052 nan 8.240 nan 0.000 0.503 842 V N 3.697 123.591 119.914 -0.034 0.000 2.531 842 V HA 0.451 4.571 4.120 -0.000 0.000 0.301 842 V C 0.099 176.183 176.094 -0.016 0.000 1.034 842 V CA -0.850 61.423 62.300 -0.044 0.000 0.865 842 V CB 2.067 33.849 31.823 -0.069 0.000 0.995 842 V HN 0.962 nan 8.190 nan 0.000 0.424 843 T N 4.691 119.239 114.554 -0.009 0.000 2.794 843 T HA 0.569 4.919 4.350 -0.000 0.000 0.280 843 T C -1.222 173.524 174.700 0.077 0.000 0.987 843 T CA -0.294 61.816 62.100 0.016 0.000 0.993 843 T CB 1.086 69.944 68.868 -0.016 0.000 0.939 843 T HN 0.528 nan 8.240 nan 0.000 0.449 844 Y N 2.327 122.588 120.300 -0.066 0.000 2.376 844 Y HA 0.438 4.988 4.550 -0.000 0.000 0.340 844 Y C -0.861 175.008 175.900 -0.051 0.000 0.965 844 Y CA -1.597 56.463 58.100 -0.066 0.000 1.078 844 Y CB 1.489 39.916 38.460 -0.056 0.000 1.193 844 Y HN 0.513 nan 8.280 nan 0.000 0.452 845 D N 3.267 123.244 120.400 -0.706 0.000 2.454 845 D HA 0.130 4.770 4.640 -0.000 0.000 0.225 845 D C 0.618 176.364 176.300 -0.922 0.000 1.081 845 D CA 0.154 53.802 54.000 -0.588 0.000 0.864 845 D CB 1.339 41.934 40.800 -0.341 0.000 1.040 845 D HN 0.713 nan 8.370 nan 0.000 0.517 846 S N 2.881 118.172 115.700 -0.682 0.000 2.423 846 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 846 S C 1.557 176.032 174.600 -0.209 0.000 1.014 846 S CA 0.568 58.518 58.200 -0.416 0.000 0.965 846 S CB -0.160 63.020 63.200 -0.033 0.000 0.785 846 S HN 0.621 nan 8.310 nan 0.000 0.495 847 N N 0.723 119.313 118.700 -0.183 0.000 2.142 847 N HA -0.063 4.677 4.740 -0.000 0.000 0.186 847 N C 1.272 176.720 175.510 -0.104 0.000 1.023 847 N CA 1.233 54.217 53.050 -0.110 0.000 0.852 847 N CB -0.110 38.321 38.487 -0.094 0.000 0.998 847 N HN 0.317 nan 8.380 nan 0.000 0.424 848 L N 1.152 122.288 121.223 -0.145 0.000 2.477 848 L HA 0.176 4.516 4.340 -0.000 0.000 0.220 848 L C 0.344 177.168 176.870 -0.078 0.000 1.106 848 L CA 0.646 55.426 54.840 -0.101 0.000 0.851 848 L CB -0.123 41.869 42.059 -0.110 0.000 0.994 848 L HN 0.059 nan 8.230 nan 0.000 0.462 849 K N -0.337 119.975 120.400 -0.146 0.000 3.181 849 K HA -0.111 4.209 4.320 -0.000 0.000 0.269 849 K C -0.773 175.826 176.600 -0.002 0.000 1.097 849 K CA 0.244 56.515 56.287 -0.028 0.000 0.783 849 K CB -2.565 29.988 32.500 0.089 0.000 1.267 849 K HN 0.082 nan 8.250 nan 0.000 0.484 850 V N 0.128 119.956 119.914 -0.144 0.000 2.448 850 V HA 0.730 4.850 4.120 -0.000 0.000 0.295 850 V C 0.332 176.419 176.094 -0.012 0.000 1.025 850 V CA -0.664 61.581 62.300 -0.091 0.000 0.859 850 V CB 2.001 33.740 31.823 -0.141 0.000 0.988 850 V HN 0.413 nan 8.190 nan 0.000 0.431 851 A N 5.948 128.793 122.820 0.042 0.000 2.330 851 A HA 0.927 5.247 4.320 -0.000 0.000 0.327 851 A C -0.824 176.713 177.584 -0.078 0.000 1.155 851 A CA -0.537 51.532 52.037 0.054 0.000 0.803 851 A CB 0.851 19.818 19.000 -0.055 0.000 1.208 851 A HN 0.776 nan 8.150 nan 0.000 0.477 852 I N 2.778 123.307 120.570 -0.069 0.000 2.436 852 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 852 I C -0.849 175.212 176.117 -0.093 0.000 1.010 852 I CA -0.256 60.988 61.300 -0.094 0.000 1.098 852 I CB 1.817 39.769 38.000 -0.080 0.000 1.266 852 I HN 0.506 nan 8.210 nan 0.000 0.434 853 I N 6.118 126.621 120.570 -0.113 0.000 2.312 853 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 853 I C 0.350 176.424 176.117 -0.073 0.000 1.008 853 I CA -0.157 61.083 61.300 -0.100 0.000 1.226 853 I CB 1.437 39.361 38.000 -0.127 0.000 1.371 853 I HN 0.606 nan 8.210 nan 0.000 0.468 854 T N 0.018 114.539 114.554 -0.055 0.000 2.807 854 T HA 0.409 4.758 4.350 -0.000 0.000 0.277 854 T C -0.048 174.630 174.700 -0.036 0.000 1.006 854 T CA -0.656 61.419 62.100 -0.042 0.000 1.006 854 T CB 1.555 70.402 68.868 -0.036 0.000 1.274 854 T HN 0.569 nan 8.240 nan 0.000 0.569 855 D N -0.606 119.776 120.400 -0.030 0.000 2.699 855 D HA -0.148 4.491 4.640 -0.000 0.000 0.239 855 D C -0.797 175.486 176.300 -0.029 0.000 1.136 855 D CA 0.620 54.605 54.000 -0.025 0.000 0.668 855 D CB -1.284 39.504 40.800 -0.019 0.000 1.060 855 D HN 0.724 nan 8.370 nan 0.000 0.429 856 I N 0.033 120.580 120.570 -0.039 0.000 2.828 856 I HA 0.433 4.603 4.170 -0.000 0.000 0.302 856 I C -0.945 175.133 176.117 -0.065 0.000 1.101 856 I CA -0.774 60.492 61.300 -0.056 0.000 1.031 856 I CB 1.918 39.876 38.000 -0.070 0.000 1.231 856 I HN -0.111 nan 8.210 nan 0.000 0.427 857 D N 6.320 126.662 120.400 -0.098 0.000 2.714 857 D HA 0.285 4.925 4.640 -0.000 0.000 0.264 857 D C -1.365 174.827 176.300 -0.181 0.000 1.231 857 D CA -0.195 53.750 54.000 -0.092 0.000 0.802 857 D CB 0.497 41.271 40.800 -0.044 0.000 1.319 857 D HN 0.248 nan 8.370 nan 0.000 0.528 858 L N 2.776 123.840 121.223 -0.266 0.000 2.312 858 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 858 L C 0.512 177.344 176.870 -0.063 0.000 1.091 858 L CA -0.661 53.829 54.840 -0.584 0.000 0.846 858 L CB 0.590 42.265 42.059 -0.640 0.000 1.219 858 L HN 0.141 nan 8.230 nan 0.000 0.439 859 L N 3.974 125.252 121.223 0.091 0.000 2.559 859 L HA -0.016 4.323 4.340 -0.000 0.000 0.274 859 L C 0.376 177.350 176.870 0.174 0.000 1.205 859 L CA -0.257 54.651 54.840 0.113 0.000 0.907 859 L CB 0.309 42.433 42.059 0.109 0.000 1.153 859 L HN 0.458 nan 8.230 nan 0.000 0.490 860 L N 4.227 125.459 121.223 0.015 0.000 2.559 860 L HA 0.248 4.588 4.340 -0.000 0.000 0.274 860 L C 1.029 177.939 176.870 0.066 0.000 1.205 860 L CA 1.525 56.373 54.840 0.013 0.000 0.907 860 L CB 0.449 42.349 42.059 -0.265 0.000 1.153 860 L HN 0.842 nan 8.230 nan 0.000 0.490 861 G N 2.446 111.330 108.800 0.141 0.000 2.176 861 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.232 861 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.232 861 G C 0.087 175.041 174.900 0.091 0.000 0.986 861 G CA -0.013 45.146 45.100 0.099 0.000 0.643 861 G HN 0.570 nan 8.290 nan 0.000 0.522 862 E N 0.123 120.399 120.200 0.128 0.000 2.207 862 E HA 0.676 5.025 4.350 -0.000 0.000 0.270 862 E C 0.276 176.853 176.600 -0.037 0.000 0.927 862 E CA -0.037 56.367 56.400 0.005 0.000 0.799 862 E CB 1.864 31.458 29.700 -0.176 0.000 1.172 862 E HN 0.713 nan 8.360 nan 0.000 0.404 863 A N 2.920 125.666 122.820 -0.125 0.000 2.366 863 A HA 0.533 4.853 4.320 -0.000 0.000 0.272 863 A C -1.117 176.307 177.584 -0.267 0.000 1.135 863 A CA 0.002 51.998 52.037 -0.068 0.000 0.804 863 A CB 0.035 19.026 19.000 -0.013 0.000 1.064 863 A HN 0.531 nan 8.150 nan 0.000 0.499 864 Y N -0.247 120.100 120.300 0.078 0.000 2.588 864 Y HA 0.559 5.109 4.550 -0.000 0.000 0.343 864 Y C 0.297 176.233 175.900 0.060 0.000 1.065 864 Y CA -0.554 57.586 58.100 0.068 0.000 1.038 864 Y CB 2.579 41.056 38.460 0.028 0.000 1.297 864 Y HN 0.556 nan 8.280 nan 0.000 0.467 865 T N 2.029 116.726 114.554 0.238 0.000 2.824 865 T HA 0.595 4.945 4.350 -0.000 0.000 0.282 865 T C -1.204 173.581 174.700 0.142 0.000 0.993 865 T CA -0.658 61.527 62.100 0.141 0.000 0.967 865 T CB 1.298 70.209 68.868 0.072 0.000 0.960 865 T HN 0.305 nan 8.240 nan 0.000 0.441 866 V N 3.705 123.695 119.914 0.126 0.000 2.448 866 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 866 V C -0.182 175.993 176.094 0.135 0.000 1.025 866 V CA -0.700 61.698 62.300 0.164 0.000 0.859 866 V CB 1.627 33.573 31.823 0.205 0.000 0.988 866 V HN 0.861 nan 8.190 nan 0.000 0.431 867 E N 3.835 124.096 120.200 0.102 0.000 2.312 867 E HA 0.721 5.071 4.350 -0.000 0.000 0.267 867 E C -1.473 175.191 176.600 0.106 0.000 0.894 867 E CA -0.687 55.650 56.400 -0.105 0.000 0.773 867 E CB 2.685 32.308 29.700 -0.129 0.000 1.241 867 E HN 0.706 nan 8.360 nan 0.000 0.432 868 W N 0.535 121.776 121.300 -0.098 0.000 3.074 868 W HA 0.809 5.469 4.660 -0.000 0.000 0.332 868 W C -1.527 174.870 176.519 -0.203 0.000 1.253 868 W CA -1.002 56.250 57.345 -0.155 0.000 1.180 868 W CB 0.422 29.759 29.460 -0.204 0.000 1.445 868 W HN 0.550 nan 8.180 nan 0.000 0.573 869 A N 1.160 123.980 122.820 0.000 0.000 2.313 869 A HA 0.838 5.158 4.320 -0.000 0.000 0.323 869 A C -0.856 176.615 177.584 -0.188 0.000 1.133 869 A CA -0.621 51.359 52.037 -0.094 0.000 0.847 869 A CB 0.909 19.889 19.000 -0.034 0.000 1.308 869 A HN 0.795 nan 8.150 nan 0.000 0.475 870 H N 0.000 119.122 119.070 0.086 0.000 2.539 870 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 870 H CA 0.000 56.079 56.048 0.052 0.000 1.023 870 H CB 0.000 29.795 29.762 0.055 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496