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 2j6l_1_A DATA FIRST_RESID 4 DATA SEQUENCE TLLINQPQYA WLKELGLREE NEGVYNGSWG GRGEVITTYC PANNEPIARV DATA SEQUENCE RQASVADYEE TVKKAREAWK IWADIPAPKR GEIVRQIGDA LREKIQVLGS DATA SEQUENCE LVSLEMGKIL VEGVGEVQEY VDICDYAVGL SRMIGGPILP SERSGHALIE DATA SEQUENCE QWNPVGLVGI ITAFNFPVAV YGWNNAIAMI CGNVCLWKGA PTTSLISVAV DATA SEQUENCE TKIIAKVLED NKLPGAICSL TCGGADIGTA MAKDERVNLL SFTGSTQVGK DATA SEQUENCE QVGLMVQERF GRSLLELGGN NAIIAFEDAD LSLVVPSALF AAVGTAGQRC DATA SEQUENCE TTARRLFIHE SIHDEVVNRL KKAYAQIRVG NPWDPNVLYG PLHTKQAVSM DATA SEQUENCE FLGAVEEAKK EGGTVVYGGK VMDRPGNYVE PTIVTGLGHD ASIAHTETFA DATA SEQUENCE PILYVFKFQN EEEVFAWNNE VKQGLSSSIF TKDLGRIFRW LGPKGSDCGI DATA SEQUENCE VNVNIPTSGA EIGGAFGGEK HTGGGRESGS DAWKQYMRRS TCTINYS 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.649 174.700 -0.086 0.000 1.109 4 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 4 T CB 0.000 68.845 68.868 -0.039 0.000 0.612 5 L N 3.382 124.537 121.223 -0.114 0.000 2.455 5 L HA 0.252 4.592 4.340 -0.001 0.000 0.272 5 L C 2.068 178.816 176.870 -0.204 0.000 1.174 5 L CA -0.720 54.015 54.840 -0.175 0.000 0.869 5 L CB 0.289 42.240 42.059 -0.179 0.000 1.130 5 L HN 0.700 nan 8.230 nan 0.000 0.474 6 L N 3.492 124.533 121.223 -0.304 0.000 2.081 6 L HA -0.262 4.077 4.340 -0.001 0.000 0.212 6 L C 2.221 178.861 176.870 -0.384 0.000 1.080 6 L CA 1.472 56.034 54.840 -0.463 0.000 0.754 6 L CB -0.305 41.212 42.059 -0.904 0.000 0.893 6 L HN 0.689 nan 8.230 nan 0.000 0.433 7 I N 0.156 120.520 120.570 -0.343 0.000 2.700 7 I HA -0.248 3.921 4.170 -0.001 0.000 0.261 7 I C 1.631 177.645 176.117 -0.171 0.000 1.219 7 I CA 1.023 62.160 61.300 -0.273 0.000 1.463 7 I CB -0.088 37.753 38.000 -0.265 0.000 1.092 7 I HN 0.348 nan 8.210 nan 0.000 0.452 8 N N 0.842 119.458 118.700 -0.140 0.000 2.336 8 N HA 0.042 4.782 4.740 -0.001 0.000 0.189 8 N C -0.181 175.297 175.510 -0.054 0.000 1.113 8 N CA 0.279 53.274 53.050 -0.092 0.000 0.858 8 N CB 0.173 38.609 38.487 -0.086 0.000 0.970 8 N HN 0.518 nan 8.380 nan 0.000 0.471 9 Q N 0.231 120.015 119.800 -0.027 0.000 2.243 9 Q HA 0.235 4.575 4.340 -0.001 0.000 0.252 9 Q C -1.638 174.376 176.000 0.022 0.000 0.909 9 Q CA -1.791 54.029 55.803 0.027 0.000 0.922 9 Q CB 1.373 30.174 28.738 0.105 0.000 1.215 9 Q HN -0.027 nan 8.270 nan 0.000 0.427 10 P HA -0.272 nan 4.420 nan 0.000 0.217 10 P C 0.975 178.247 177.300 -0.047 0.000 1.148 10 P CA 1.376 64.463 63.100 -0.022 0.000 0.828 10 P CB 0.160 31.850 31.700 -0.016 0.000 0.783 11 Q N -1.758 117.995 119.800 -0.078 0.000 2.488 11 Q HA -0.125 4.215 4.340 -0.001 0.000 0.211 11 Q C 0.587 176.345 176.000 -0.403 0.000 0.967 11 Q CA 1.086 56.770 55.803 -0.198 0.000 0.926 11 Q CB -0.553 28.044 28.738 -0.235 0.000 0.992 11 Q HN 0.303 nan 8.270 nan 0.000 0.506 12 Y N -0.576 119.617 120.300 -0.178 0.000 2.607 12 Y HA 0.452 5.001 4.550 -0.001 0.000 0.266 12 Y C 1.911 177.425 175.900 -0.645 0.000 1.178 12 Y CA -0.033 57.742 58.100 -0.543 0.000 1.226 12 Y CB 0.561 38.709 38.460 -0.520 0.000 1.144 12 Y HN 0.281 nan 8.280 nan 0.000 0.528 13 A N 0.987 123.681 122.820 -0.210 0.000 2.070 13 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 13 A C 1.846 179.368 177.584 -0.104 0.000 1.159 13 A CA 1.246 53.203 52.037 -0.134 0.000 0.656 13 A CB -0.956 18.017 19.000 -0.044 0.000 0.800 13 A HN 0.833 nan 8.150 nan 0.000 0.453 14 W N -0.309 120.971 121.300 -0.033 0.000 2.421 14 W HA -0.087 4.573 4.660 -0.001 0.000 0.270 14 W C 1.034 177.543 176.519 -0.016 0.000 1.233 14 W CA 0.617 57.944 57.345 -0.031 0.000 1.226 14 W CB -1.054 28.379 29.460 -0.045 0.000 1.121 14 W HN 0.251 nan 8.180 nan 0.000 0.579 15 L N 1.555 122.472 121.223 -0.510 0.000 2.131 15 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 15 L C 2.575 179.358 176.870 -0.144 0.000 1.092 15 L CA 1.643 56.236 54.840 -0.411 0.000 0.759 15 L CB -0.619 41.068 42.059 -0.620 0.000 0.903 15 L HN -0.092 nan 8.230 nan 0.000 0.435 16 K N -0.081 120.245 120.400 -0.122 0.000 2.365 16 K HA -0.128 4.191 4.320 -0.001 0.000 0.199 16 K C 1.708 178.293 176.600 -0.026 0.000 1.045 16 K CA 0.727 56.966 56.287 -0.079 0.000 0.962 16 K CB -0.025 32.429 32.500 -0.077 0.000 0.759 16 K HN 0.384 nan 8.250 nan 0.000 0.469 17 E N 0.648 120.867 120.200 0.032 0.000 2.338 17 E HA -0.119 4.231 4.350 -0.001 0.000 0.197 17 E C 1.181 177.805 176.600 0.040 0.000 1.007 17 E CA 0.658 57.090 56.400 0.053 0.000 0.849 17 E CB 0.047 29.810 29.700 0.105 0.000 0.774 17 E HN 0.294 nan 8.360 nan 0.000 0.506 18 L N -0.512 120.732 121.223 0.035 0.000 2.628 18 L HA 0.207 4.547 4.340 -0.001 0.000 0.229 18 L C 1.208 178.052 176.870 -0.044 0.000 1.137 18 L CA 0.130 54.980 54.840 0.017 0.000 0.909 18 L CB 0.340 42.430 42.059 0.051 0.000 1.137 18 L HN 0.222 nan 8.230 nan 0.000 0.470 19 G N 0.591 109.350 108.800 -0.067 0.000 2.148 19 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.254 19 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.254 19 G C 0.203 175.010 174.900 -0.156 0.000 0.981 19 G CA -0.106 44.924 45.100 -0.116 0.000 0.670 19 G HN 0.234 nan 8.290 nan 0.000 0.528 20 L N -0.377 120.764 121.223 -0.137 0.000 2.395 20 L HA 0.694 5.034 4.340 -0.001 0.000 0.269 20 L C 1.153 177.928 176.870 -0.157 0.000 1.133 20 L CA -0.497 54.248 54.840 -0.157 0.000 0.812 20 L CB 0.899 42.868 42.059 -0.151 0.000 1.125 20 L HN 0.241 nan 8.230 nan 0.000 0.452 21 R N 0.134 120.539 120.500 -0.159 0.000 3.018 21 R HA 0.191 4.531 4.340 -0.001 0.000 0.243 21 R C 0.832 177.046 176.300 -0.143 0.000 1.315 21 R CA -0.752 55.263 56.100 -0.142 0.000 1.039 21 R CB 0.909 31.131 30.300 -0.129 0.000 1.315 21 R HN 0.689 nan 8.270 nan 0.000 0.492 22 E N 0.597 120.721 120.200 -0.128 0.000 2.110 22 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 22 E C -0.095 176.433 176.600 -0.120 0.000 0.988 22 E CA 1.322 57.645 56.400 -0.128 0.000 0.804 22 E CB 0.244 29.878 29.700 -0.110 0.000 0.745 22 E HN 0.446 nan 8.360 nan 0.000 0.458 23 E N 0.471 120.608 120.200 -0.104 0.000 2.246 23 E HA 0.267 4.617 4.350 -0.001 0.000 0.266 23 E C -1.451 175.094 176.600 -0.093 0.000 0.880 23 E CA -0.776 55.569 56.400 -0.091 0.000 0.762 23 E CB 1.153 30.812 29.700 -0.069 0.000 1.180 23 E HN 0.096 nan 8.360 nan 0.000 0.416 24 N N 3.149 121.796 118.700 -0.089 0.000 2.269 24 N HA 0.205 4.945 4.740 -0.001 0.000 0.304 24 N C -1.202 174.284 175.510 -0.040 0.000 1.072 24 N CA -0.727 52.262 53.050 -0.102 0.000 0.802 24 N CB 1.814 40.225 38.487 -0.127 0.000 1.348 24 N HN 0.455 nan 8.380 nan 0.000 0.484 25 E N 0.092 120.282 120.200 -0.016 0.000 2.376 25 E HA 0.202 4.552 4.350 -0.001 0.000 0.266 25 E C 0.980 177.729 176.600 0.249 0.000 1.009 25 E CA 0.083 56.572 56.400 0.148 0.000 0.902 25 E CB 0.510 30.388 29.700 0.297 0.000 0.972 25 E HN 0.763 nan 8.360 nan 0.000 0.439 26 G N 2.081 110.997 108.800 0.193 0.000 3.277 26 G HA2 0.190 4.150 3.960 -0.001 0.000 0.243 26 G HA3 0.190 4.150 3.960 -0.001 0.000 0.243 26 G C -0.341 174.645 174.900 0.142 0.000 1.107 26 G CA -0.160 45.030 45.100 0.150 0.000 0.771 26 G HN 0.319 nan 8.290 nan 0.000 0.544 27 V N 0.594 120.621 119.914 0.188 0.000 2.487 27 V HA 0.540 4.660 4.120 -0.001 0.000 0.298 27 V C -1.458 174.629 176.094 -0.012 0.000 1.028 27 V CA -1.035 61.309 62.300 0.073 0.000 0.860 27 V CB 1.616 33.467 31.823 0.047 0.000 0.991 27 V HN 0.240 nan 8.190 nan 0.000 0.427 28 Y N 5.196 125.270 120.300 -0.377 0.000 2.406 28 Y HA 0.622 5.172 4.550 -0.001 0.000 0.340 28 Y C 0.010 175.660 175.900 -0.418 0.000 0.975 28 Y CA -1.130 56.520 58.100 -0.750 0.000 1.056 28 Y CB 2.121 39.775 38.460 -1.344 0.000 1.210 28 Y HN 0.742 nan 8.280 nan 0.000 0.448 29 N N 2.483 120.511 118.700 -1.120 0.000 2.381 29 N HA 0.355 5.094 4.740 -0.001 0.000 0.257 29 N C 0.521 175.526 175.510 -0.842 0.000 1.409 29 N CA 0.134 52.713 53.050 -0.785 0.000 0.836 29 N CB 0.971 39.224 38.487 -0.390 0.000 1.384 29 N HN 1.005 nan 8.380 nan 0.000 0.490 30 G N -0.800 107.120 108.800 -1.466 0.000 2.313 30 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.215 30 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.215 30 G C -0.170 174.480 174.900 -0.417 0.000 1.023 30 G CA 0.188 44.867 45.100 -0.702 0.000 0.626 30 G HN 0.482 nan 8.290 nan 0.000 0.503 31 S N -0.499 114.928 115.700 -0.454 0.000 2.600 31 S HA 0.714 5.184 4.470 -0.001 0.000 0.300 31 S C -1.184 173.323 174.600 -0.155 0.000 1.087 31 S CA -0.583 57.536 58.200 -0.134 0.000 0.965 31 S CB 1.580 64.746 63.200 -0.057 0.000 1.089 31 S HN 0.373 nan 8.310 nan 0.000 0.496 32 W N 0.708 122.081 121.300 0.120 0.000 2.469 32 W HA 0.690 5.349 4.660 -0.000 0.000 0.320 32 W C 0.684 177.239 176.519 0.061 0.000 1.086 32 W CA 0.033 57.462 57.345 0.140 0.000 1.211 32 W CB 1.540 31.084 29.460 0.140 0.000 1.298 32 W HN 0.953 nan 8.180 nan 0.000 0.525 33 G N 0.035 109.010 108.800 0.292 0.000 2.604 33 G HA2 0.597 4.556 3.960 -0.001 0.000 0.242 33 G HA3 0.597 4.556 3.960 -0.001 0.000 0.242 33 G C -0.604 174.382 174.900 0.143 0.000 1.208 33 G CA -0.129 45.074 45.100 0.170 0.000 0.912 33 G HN 1.121 nan 8.290 nan 0.000 0.502 34 G N -0.988 107.864 108.800 0.087 0.000 2.661 34 G HA2 0.294 4.254 3.960 -0.001 0.000 0.262 34 G HA3 0.294 4.254 3.960 -0.001 0.000 0.262 34 G C -0.223 174.705 174.900 0.047 0.000 1.310 34 G CA -0.248 44.893 45.100 0.067 0.000 1.160 34 G HN 0.648 nan 8.290 nan 0.000 0.598 35 R N 0.781 121.305 120.500 0.039 0.000 2.432 35 R HA 0.289 4.629 4.340 -0.001 0.000 0.260 35 R C 1.701 178.016 176.300 0.025 0.000 0.935 35 R CA 0.339 56.457 56.100 0.030 0.000 1.080 35 R CB 1.033 31.350 30.300 0.028 0.000 1.155 35 R HN 0.623 nan 8.270 nan 0.000 0.531 36 G N 0.620 109.436 108.800 0.027 0.000 2.494 36 G HA2 0.087 4.046 3.960 -0.001 0.000 0.270 36 G HA3 0.087 4.046 3.960 -0.001 0.000 0.270 36 G C -0.430 174.478 174.900 0.014 0.000 1.423 36 G CA -0.577 44.535 45.100 0.020 0.000 1.055 36 G HN 0.095 nan 8.290 nan 0.000 0.536 37 E N -1.104 119.101 120.200 0.010 0.000 2.392 37 E HA 0.229 4.579 4.350 -0.001 0.000 0.264 37 E C -0.442 176.160 176.600 0.004 0.000 1.024 37 E CA -0.216 56.188 56.400 0.006 0.000 0.903 37 E CB 1.470 31.173 29.700 0.006 0.000 0.963 37 E HN 0.037 nan 8.360 nan 0.000 0.432 38 V N 4.864 124.778 119.914 0.000 0.000 2.432 38 V HA 0.170 4.290 4.120 -0.001 0.000 0.271 38 V C 0.277 176.366 176.094 -0.008 0.000 1.046 38 V CA -0.113 62.183 62.300 -0.008 0.000 0.945 38 V CB 0.514 32.329 31.823 -0.013 0.000 0.992 38 V HN 0.552 nan 8.190 nan 0.000 0.471 39 I N 4.402 124.964 120.570 -0.014 0.000 2.437 39 I HA 0.451 4.621 4.170 -0.001 0.000 0.298 39 I C 0.203 176.296 176.117 -0.039 0.000 0.984 39 I CA 0.084 61.379 61.300 -0.008 0.000 1.214 39 I CB 1.778 39.776 38.000 -0.003 0.000 1.365 39 I HN 0.591 nan 8.210 nan 0.000 0.469 40 T N 4.980 119.514 114.554 -0.033 0.000 2.795 40 T HA 0.361 4.711 4.350 -0.001 0.000 0.282 40 T C -0.111 174.484 174.700 -0.174 0.000 0.980 40 T CA -0.491 61.514 62.100 -0.158 0.000 1.012 40 T CB 1.111 69.844 68.868 -0.226 0.000 0.936 40 T HN 0.717 nan 8.240 nan 0.000 0.457 41 T N 0.977 115.377 114.554 -0.258 0.000 2.929 41 T HA 0.688 5.038 4.350 -0.001 0.000 0.284 41 T C -0.997 173.474 174.700 -0.383 0.000 1.014 41 T CA -0.682 61.318 62.100 -0.166 0.000 1.051 41 T CB 0.653 69.477 68.868 -0.072 0.000 1.028 41 T HN 0.467 nan 8.240 nan 0.000 0.485 42 Y N -0.135 120.110 120.300 -0.092 0.000 2.485 42 Y HA 0.515 5.064 4.550 -0.000 0.000 0.345 42 Y C 0.679 176.531 175.900 -0.080 0.000 0.998 42 Y CA -1.250 56.794 58.100 -0.092 0.000 1.059 42 Y CB 1.559 39.963 38.460 -0.094 0.000 1.234 42 Y HN 1.015 nan 8.280 nan 0.000 0.461 43 C N 6.385 125.730 119.300 0.075 0.000 2.566 43 C HA 0.220 4.679 4.460 -0.001 0.000 0.393 43 C C -0.969 174.082 174.990 0.102 0.000 1.309 43 C CA -1.784 57.291 59.018 0.095 0.000 1.801 43 C CB -0.087 27.718 27.740 0.108 0.000 2.493 43 C HN 0.673 nan 8.230 nan 0.000 0.575 44 P HA -0.013 nan 4.420 nan 0.000 0.230 44 P C 1.057 178.339 177.300 -0.031 0.000 1.158 44 P CA 1.437 64.510 63.100 -0.044 0.000 0.769 44 P CB 0.013 31.641 31.700 -0.121 0.000 0.807 45 A N 0.931 123.807 122.820 0.094 0.000 2.119 45 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 45 A C 1.433 179.177 177.584 0.266 0.000 1.152 45 A CA 1.389 53.527 52.037 0.168 0.000 0.708 45 A CB -0.788 18.304 19.000 0.153 0.000 0.805 45 A HN 0.389 nan 8.150 nan 0.000 0.460 46 N N -3.516 115.313 118.700 0.215 0.000 1.938 46 N HA -0.021 4.719 4.740 -0.001 0.000 0.225 46 N C -0.157 175.430 175.510 0.128 0.000 1.400 46 N CA 0.276 53.438 53.050 0.186 0.000 0.772 46 N CB -0.559 38.069 38.487 0.234 0.000 1.124 46 N HN 0.141 nan 8.380 nan 0.000 0.513 47 N N 0.490 119.254 118.700 0.107 0.000 2.714 47 N HA -0.183 4.556 4.740 -0.001 0.000 0.250 47 N C -1.129 174.489 175.510 0.180 0.000 1.117 47 N CA 0.992 54.094 53.050 0.086 0.000 0.719 47 N CB -1.046 37.440 38.487 -0.001 0.000 1.081 47 N HN 0.667 nan 8.380 nan 0.000 0.557 48 E N 1.064 121.364 120.200 0.167 0.000 2.301 48 E HA 0.239 4.589 4.350 -0.001 0.000 0.275 48 E C -2.133 174.499 176.600 0.055 0.000 1.030 48 E CA -1.572 54.902 56.400 0.124 0.000 0.852 48 E CB 1.018 30.733 29.700 0.026 0.000 1.060 48 E HN 0.097 nan 8.360 nan 0.000 0.401 49 P HA 0.059 nan 4.420 nan 0.000 0.276 49 P C 0.065 177.129 177.300 -0.393 0.000 1.230 49 P CA 0.295 63.070 63.100 -0.541 0.000 0.776 49 P CB 1.013 32.410 31.700 -0.504 0.000 0.888 50 I N 1.822 122.138 120.570 -0.423 0.000 2.499 50 I HA 0.217 4.387 4.170 -0.001 0.000 0.243 50 I C 1.242 177.163 176.117 -0.327 0.000 1.085 50 I CA 0.889 61.967 61.300 -0.370 0.000 1.422 50 I CB -0.089 37.726 38.000 -0.309 0.000 1.165 50 I HN 0.441 nan 8.210 nan 0.000 0.440 51 A N -0.074 122.568 122.820 -0.296 0.000 2.438 51 A HA 0.699 5.019 4.320 -0.001 0.000 0.301 51 A C -1.181 176.276 177.584 -0.210 0.000 1.101 51 A CA -0.692 51.204 52.037 -0.235 0.000 0.621 51 A CB 1.044 19.919 19.000 -0.209 0.000 1.350 51 A HN 0.039 nan 8.150 nan 0.000 0.496 52 R N -0.733 119.672 120.500 -0.160 0.000 2.803 52 R HA 0.753 5.092 4.340 -0.001 0.000 0.276 52 R C -1.619 174.625 176.300 -0.095 0.000 0.978 52 R CA -0.794 55.231 56.100 -0.125 0.000 0.939 52 R CB 2.294 32.532 30.300 -0.104 0.000 1.179 52 R HN 0.462 nan 8.270 nan 0.000 0.472 53 V N 2.229 122.102 119.914 -0.069 0.000 2.577 53 V HA 0.372 4.492 4.120 -0.001 0.000 0.303 53 V C -0.353 175.728 176.094 -0.022 0.000 1.042 53 V CA -0.935 61.338 62.300 -0.046 0.000 0.872 53 V CB 2.034 33.829 31.823 -0.047 0.000 0.998 53 V HN 0.638 nan 8.190 nan 0.000 0.423 54 R N 3.725 124.224 120.500 -0.002 0.000 2.242 54 R HA 0.358 4.697 4.340 -0.001 0.000 0.334 54 R C -0.025 176.291 176.300 0.026 0.000 1.071 54 R CA -0.270 55.838 56.100 0.013 0.000 0.922 54 R CB 0.725 31.040 30.300 0.025 0.000 1.023 54 R HN 0.683 nan 8.270 nan 0.000 0.458 55 Q N 1.012 120.822 119.800 0.016 0.000 2.414 55 Q HA 0.348 4.687 4.340 -0.001 0.000 0.206 55 Q C -0.060 175.960 176.000 0.032 0.000 1.058 55 Q CA -0.571 55.243 55.803 0.018 0.000 1.025 55 Q CB 0.702 29.444 28.738 0.007 0.000 1.196 55 Q HN 0.620 nan 8.270 nan 0.000 0.586 56 A N 1.094 123.937 122.820 0.038 0.000 2.362 56 A HA 0.351 4.671 4.320 -0.001 0.000 0.276 56 A C 0.077 177.692 177.584 0.051 0.000 1.153 56 A CA -0.433 51.638 52.037 0.057 0.000 0.813 56 A CB 0.118 19.170 19.000 0.088 0.000 1.081 56 A HN 0.653 nan 8.150 nan 0.000 0.507 57 S N 1.965 117.696 115.700 0.053 0.000 2.624 57 S HA 0.289 4.759 4.470 -0.001 0.000 0.263 57 S C 1.215 175.860 174.600 0.076 0.000 1.287 57 S CA -0.122 58.107 58.200 0.048 0.000 0.990 57 S CB 0.756 63.980 63.200 0.039 0.000 0.950 57 S HN 0.693 nan 8.310 nan 0.000 0.561 58 V N 1.506 121.457 119.914 0.061 0.000 2.324 58 V HA -0.233 3.886 4.120 -0.001 0.000 0.250 58 V C 2.985 179.154 176.094 0.125 0.000 1.060 58 V CA 2.486 64.840 62.300 0.089 0.000 1.042 58 V CB -1.859 29.994 31.823 0.050 0.000 0.650 58 V HN 1.008 nan 8.190 nan 0.000 0.450 59 A N -0.250 122.616 122.820 0.078 0.000 1.902 59 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 59 A C 2.003 179.620 177.584 0.055 0.000 1.181 59 A CA 1.977 54.049 52.037 0.059 0.000 0.623 59 A CB -0.621 18.401 19.000 0.037 0.000 0.818 59 A HN 0.553 nan 8.150 nan 0.000 0.443 60 D N -1.544 118.894 120.400 0.062 0.000 2.123 60 D HA -0.179 4.461 4.640 -0.001 0.000 0.196 60 D C 1.686 178.017 176.300 0.051 0.000 0.992 60 D CA 1.721 55.749 54.000 0.047 0.000 0.833 60 D CB -0.502 40.332 40.800 0.057 0.000 0.954 60 D HN 0.626 nan 8.370 nan 0.000 0.455 61 Y N 2.010 122.309 120.300 -0.001 0.000 2.114 61 Y HA -0.193 4.356 4.550 -0.000 0.000 0.284 61 Y C 2.157 178.058 175.900 0.001 0.000 1.143 61 Y CA 1.575 59.677 58.100 0.003 0.000 1.135 61 Y CB -0.025 38.441 38.460 0.011 0.000 0.980 61 Y HN -0.175 nan 8.280 nan 0.000 0.499 62 E N 0.514 120.719 120.200 0.008 0.000 2.058 62 E HA -0.279 4.071 4.350 -0.001 0.000 0.194 62 E C 2.162 178.688 176.600 -0.124 0.000 0.997 62 E CA 1.676 58.036 56.400 -0.066 0.000 0.801 62 E CB -0.428 29.301 29.700 0.048 0.000 0.746 62 E HN 0.719 nan 8.360 nan 0.000 0.450 63 E N 0.050 120.202 120.200 -0.080 0.000 2.077 63 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 63 E C 1.874 178.399 176.600 -0.125 0.000 0.989 63 E CA 1.597 57.949 56.400 -0.081 0.000 0.800 63 E CB 0.119 29.786 29.700 -0.054 0.000 0.746 63 E HN 0.114 nan 8.360 nan 0.000 0.452 64 T N 0.295 114.750 114.554 -0.164 0.000 2.708 64 T HA -0.126 4.223 4.350 -0.001 0.000 0.266 64 T C 1.927 176.501 174.700 -0.210 0.000 1.037 64 T CA 1.319 63.307 62.100 -0.188 0.000 1.146 64 T CB -0.233 68.531 68.868 -0.173 0.000 0.865 64 T HN 0.025 nan 8.240 nan 0.000 0.435 65 V N 1.588 121.308 119.914 -0.323 0.000 2.332 65 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 65 V C 2.458 178.467 176.094 -0.140 0.000 1.055 65 V CA 1.689 63.826 62.300 -0.271 0.000 1.038 65 V CB -0.528 31.049 31.823 -0.408 0.000 0.651 65 V HN 0.480 nan 8.190 nan 0.000 0.450 66 K N -0.060 120.266 120.400 -0.124 0.000 2.063 66 K HA -0.198 4.121 4.320 -0.001 0.000 0.208 66 K C 2.247 178.820 176.600 -0.046 0.000 1.048 66 K CA 1.558 57.806 56.287 -0.064 0.000 0.928 66 K CB -0.235 32.234 32.500 -0.052 0.000 0.713 66 K HN 0.423 nan 8.250 nan 0.000 0.442 67 K N 0.322 120.679 120.400 -0.072 0.000 2.097 67 K HA -0.069 4.250 4.320 -0.001 0.000 0.205 67 K C 2.204 178.778 176.600 -0.043 0.000 1.050 67 K CA 1.068 57.316 56.287 -0.065 0.000 0.938 67 K CB -0.077 32.357 32.500 -0.110 0.000 0.718 67 K HN 0.127 nan 8.250 nan 0.000 0.442 68 A N 1.742 124.533 122.820 -0.049 0.000 1.877 68 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 68 A C 2.034 179.665 177.584 0.078 0.000 1.186 68 A CA 1.238 53.273 52.037 -0.003 0.000 0.620 68 A CB -0.353 18.637 19.000 -0.017 0.000 0.822 68 A HN 0.193 nan 8.150 nan 0.000 0.443 69 R N -0.610 119.924 120.500 0.056 0.000 2.115 69 R HA -0.081 4.258 4.340 -0.001 0.000 0.230 69 R C 1.978 178.390 176.300 0.186 0.000 1.111 69 R CA 1.153 57.321 56.100 0.115 0.000 0.976 69 R CB -0.223 30.099 30.300 0.038 0.000 0.870 69 R HN 0.489 nan 8.270 nan 0.000 0.445 70 E N 0.788 121.054 120.200 0.111 0.000 2.072 70 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 70 E C 2.018 178.691 176.600 0.123 0.000 0.985 70 E CA 1.277 57.740 56.400 0.104 0.000 0.801 70 E CB -0.153 29.575 29.700 0.047 0.000 0.750 70 E HN 0.303 nan 8.360 nan 0.000 0.452 71 A N 0.439 123.323 122.820 0.106 0.000 1.933 71 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 71 A C 2.000 179.697 177.584 0.187 0.000 1.175 71 A CA 1.407 53.504 52.037 0.100 0.000 0.628 71 A CB -1.118 17.904 19.000 0.036 0.000 0.814 71 A HN 0.448 nan 8.150 nan 0.000 0.444 72 W N 1.092 122.449 121.300 0.096 0.000 2.350 72 W HA -0.181 4.479 4.660 -0.000 0.000 0.289 72 W C 1.962 178.577 176.519 0.160 0.000 1.215 72 W CA 2.030 59.475 57.345 0.168 0.000 1.236 72 W CB -0.014 29.527 29.460 0.134 0.000 1.130 72 W HN 0.282 nan 8.180 nan 0.000 0.541 73 K N -0.477 119.994 120.400 0.118 0.000 2.063 73 K HA -0.227 4.093 4.320 -0.001 0.000 0.208 73 K C 1.772 178.266 176.600 -0.178 0.000 1.048 73 K CA 1.758 58.002 56.287 -0.071 0.000 0.928 73 K CB -0.464 32.081 32.500 0.074 0.000 0.713 73 K HN 0.188 nan 8.250 nan 0.000 0.442 74 I N -0.001 120.536 120.570 -0.055 0.000 2.277 74 I HA -0.248 3.922 4.170 -0.001 0.000 0.243 74 I C 2.276 178.383 176.117 -0.017 0.000 1.094 74 I CA 1.170 62.459 61.300 -0.019 0.000 1.393 74 I CB -1.206 36.826 38.000 0.053 0.000 1.078 74 I HN 0.445 nan 8.210 nan 0.000 0.417 75 W N 2.243 123.413 121.300 -0.217 0.000 2.358 75 W HA -0.191 4.468 4.660 -0.000 0.000 0.303 75 W C 2.395 178.739 176.519 -0.293 0.000 1.208 75 W CA 1.559 58.791 57.345 -0.189 0.000 1.274 75 W CB 0.122 29.523 29.460 -0.099 0.000 1.138 75 W HN 0.123 nan 8.180 nan 0.000 0.515 76 A N 0.231 122.710 122.820 -0.569 0.000 2.125 76 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 76 A C 1.325 178.632 177.584 -0.463 0.000 1.156 76 A CA 1.877 53.499 52.037 -0.692 0.000 0.671 76 A CB -0.745 17.485 19.000 -1.285 0.000 0.794 76 A HN 0.223 nan 8.150 nan 0.000 0.459 77 D N -0.383 119.793 120.400 -0.373 0.000 2.349 77 D HA 0.088 4.728 4.640 -0.001 0.000 0.215 77 D C 0.248 176.415 176.300 -0.222 0.000 1.016 77 D CA 0.180 54.033 54.000 -0.245 0.000 0.870 77 D CB 0.069 40.763 40.800 -0.176 0.000 0.917 77 D HN 0.252 nan 8.370 nan 0.000 0.524 78 I N 2.392 122.783 120.570 -0.298 0.000 2.416 78 I HA 0.170 4.339 4.170 -0.001 0.000 0.288 78 I C -2.060 173.861 176.117 -0.326 0.000 1.051 78 I CA -2.617 58.506 61.300 -0.295 0.000 1.375 78 I CB 0.277 38.049 38.000 -0.380 0.000 1.407 78 I HN -0.340 nan 8.210 nan 0.000 0.516 79 P HA -0.003 nan 4.420 nan 0.000 0.265 79 P C 0.650 177.806 177.300 -0.240 0.000 1.187 79 P CA 0.145 63.128 63.100 -0.196 0.000 0.766 79 P CB 0.716 32.333 31.700 -0.138 0.000 0.820 80 A N 6.256 128.944 122.820 -0.220 0.000 1.892 80 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 80 A C -0.431 177.038 177.584 -0.191 0.000 1.188 80 A CA 2.003 53.904 52.037 -0.227 0.000 0.631 80 A CB -2.447 16.435 19.000 -0.196 0.000 0.822 80 A HN 0.491 nan 8.150 nan 0.000 0.447 81 P HA -0.133 nan 4.420 nan 0.000 0.218 81 P C 1.120 178.358 177.300 -0.105 0.000 1.148 81 P CA 1.497 64.525 63.100 -0.121 0.000 0.822 81 P CB -0.050 31.588 31.700 -0.103 0.000 0.784 82 K N -0.584 119.743 120.400 -0.121 0.000 2.155 82 K HA -0.019 4.300 4.320 -0.001 0.000 0.203 82 K C 2.188 178.729 176.600 -0.099 0.000 1.052 82 K CA 0.876 57.105 56.287 -0.096 0.000 0.948 82 K CB -0.161 32.280 32.500 -0.099 0.000 0.728 82 K HN 0.090 nan 8.250 nan 0.000 0.448 83 R N 0.100 120.470 120.500 -0.216 0.000 2.092 83 R HA -0.075 4.265 4.340 -0.001 0.000 0.231 83 R C 2.479 178.790 176.300 0.019 0.000 1.119 83 R CA 1.311 57.286 56.100 -0.207 0.000 0.970 83 R CB -0.509 29.475 30.300 -0.527 0.000 0.864 83 R HN 0.278 nan 8.270 nan 0.000 0.440 84 G N 1.347 110.121 108.800 -0.043 0.000 2.442 84 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.219 84 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.219 84 G C 1.336 176.244 174.900 0.014 0.000 1.141 84 G CA 0.983 46.074 45.100 -0.016 0.000 0.763 84 G HN 0.293 nan 8.290 nan 0.000 0.554 85 E N 0.704 120.909 120.200 0.009 0.000 2.110 85 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 85 E C 2.404 179.038 176.600 0.057 0.000 0.988 85 E CA 0.709 57.123 56.400 0.022 0.000 0.804 85 E CB -0.294 29.413 29.700 0.011 0.000 0.745 85 E HN 0.322 nan 8.360 nan 0.000 0.458 86 I N 0.335 120.971 120.570 0.111 0.000 2.179 86 I HA -0.201 3.969 4.170 -0.001 0.000 0.242 86 I C 2.376 178.559 176.117 0.109 0.000 1.088 86 I CA 0.789 62.177 61.300 0.146 0.000 1.357 86 I CB -1.298 36.877 38.000 0.291 0.000 1.051 86 I HN 0.077 nan 8.210 nan 0.000 0.409 87 V N 1.072 121.058 119.914 0.121 0.000 2.407 87 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 87 V C 2.773 178.891 176.094 0.041 0.000 1.055 87 V CA 1.772 64.123 62.300 0.085 0.000 1.049 87 V CB -0.845 31.037 31.823 0.098 0.000 0.662 87 V HN 0.406 nan 8.190 nan 0.000 0.455 88 R N -0.008 120.511 120.500 0.033 0.000 2.083 88 R HA -0.232 4.108 4.340 -0.001 0.000 0.237 88 R C 2.376 178.680 176.300 0.005 0.000 1.137 88 R CA 2.083 58.192 56.100 0.015 0.000 0.951 88 R CB -0.233 30.073 30.300 0.010 0.000 0.851 88 R HN 0.599 nan 8.270 nan 0.000 0.434 89 Q N 0.041 119.849 119.800 0.014 0.000 2.124 89 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 89 Q C 2.225 178.217 176.000 -0.013 0.000 0.977 89 Q CA 1.593 57.400 55.803 0.007 0.000 0.850 89 Q CB -0.077 28.674 28.738 0.021 0.000 0.901 89 Q HN 0.455 nan 8.270 nan 0.000 0.429 90 I N 0.364 120.924 120.570 -0.017 0.000 2.226 90 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 90 I C 2.334 178.368 176.117 -0.138 0.000 1.100 90 I CA 1.177 62.437 61.300 -0.068 0.000 1.374 90 I CB -0.620 37.346 38.000 -0.058 0.000 1.057 90 I HN 0.280 nan 8.210 nan 0.000 0.413 91 G N 0.411 109.146 108.800 -0.108 0.000 2.418 91 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.217 91 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.217 91 G C 1.293 176.145 174.900 -0.080 0.000 1.158 91 G CA 0.914 45.946 45.100 -0.114 0.000 0.771 91 G HN 0.278 nan 8.290 nan 0.000 0.545 92 D N 0.932 121.305 120.400 -0.046 0.000 2.144 92 D HA -0.016 4.624 4.640 -0.001 0.000 0.200 92 D C 2.827 179.106 176.300 -0.035 0.000 0.978 92 D CA 1.135 55.117 54.000 -0.030 0.000 0.833 92 D CB -0.385 40.406 40.800 -0.015 0.000 0.961 92 D HN 0.297 nan 8.370 nan 0.000 0.470 93 A N 0.637 123.431 122.820 -0.043 0.000 1.933 93 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 93 A C 2.387 179.942 177.584 -0.048 0.000 1.175 93 A CA 0.865 52.881 52.037 -0.036 0.000 0.628 93 A CB -0.717 18.265 19.000 -0.030 0.000 0.814 93 A HN 0.199 nan 8.150 nan 0.000 0.444 94 L N -1.318 119.849 121.223 -0.094 0.000 2.046 94 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 94 L C 2.808 179.648 176.870 -0.049 0.000 1.077 94 L CA 1.454 56.234 54.840 -0.101 0.000 0.747 94 L CB -0.464 41.460 42.059 -0.226 0.000 0.896 94 L HN 0.348 nan 8.230 nan 0.000 0.432 95 R N 0.201 120.674 120.500 -0.045 0.000 2.103 95 R HA -0.224 4.116 4.340 -0.001 0.000 0.242 95 R C 2.163 178.456 176.300 -0.011 0.000 1.142 95 R CA 1.885 57.973 56.100 -0.020 0.000 0.960 95 R CB -0.235 30.055 30.300 -0.016 0.000 0.858 95 R HN 0.455 nan 8.270 nan 0.000 0.439 96 E N -0.254 119.939 120.200 -0.011 0.000 2.204 96 E HA -0.143 4.207 4.350 -0.001 0.000 0.195 96 E C 0.994 177.595 176.600 0.002 0.000 0.990 96 E CA 0.821 57.219 56.400 -0.004 0.000 0.821 96 E CB 0.237 29.936 29.700 -0.003 0.000 0.750 96 E HN 0.089 nan 8.360 nan 0.000 0.477 97 K N 0.149 120.552 120.400 0.005 0.000 2.414 97 K HA 0.173 4.493 4.320 -0.001 0.000 0.204 97 K C 1.438 178.051 176.600 0.021 0.000 1.026 97 K CA -0.127 56.171 56.287 0.018 0.000 1.108 97 K CB 0.487 33.004 32.500 0.028 0.000 0.855 97 K HN 0.153 nan 8.250 nan 0.000 0.517 98 I N 1.194 121.771 120.570 0.010 0.000 2.208 98 I HA -0.335 3.835 4.170 -0.001 0.000 0.245 98 I C 1.902 178.023 176.117 0.007 0.000 1.097 98 I CA 1.565 62.873 61.300 0.014 0.000 1.363 98 I CB 0.400 38.407 38.000 0.011 0.000 1.051 98 I HN 0.140 nan 8.210 nan 0.000 0.413 99 Q N 0.133 119.925 119.800 -0.012 0.000 2.046 99 Q HA -0.153 4.186 4.340 -0.001 0.000 0.200 99 Q C 2.369 178.323 176.000 -0.077 0.000 0.975 99 Q CA 2.264 58.039 55.803 -0.047 0.000 0.836 99 Q CB -0.845 27.856 28.738 -0.061 0.000 0.896 99 Q HN 0.669 nan 8.270 nan 0.000 0.428 100 V N -1.236 118.653 119.914 -0.042 0.000 2.427 100 V HA -0.158 3.962 4.120 -0.001 0.000 0.248 100 V C 2.272 178.414 176.094 0.079 0.000 1.051 100 V CA 1.290 63.583 62.300 -0.011 0.000 1.048 100 V CB -0.973 30.926 31.823 0.125 0.000 0.666 100 V HN 0.137 nan 8.190 nan 0.000 0.456 101 L N 2.596 123.869 121.223 0.083 0.000 2.046 101 L HA 0.147 4.486 4.340 -0.001 0.000 0.208 101 L C 2.498 179.426 176.870 0.097 0.000 1.077 101 L CA 2.309 57.216 54.840 0.111 0.000 0.747 101 L CB -1.466 40.653 42.059 0.100 0.000 0.896 101 L HN 0.349 nan 8.230 nan 0.000 0.432 102 G N -1.681 107.151 108.800 0.053 0.000 2.440 102 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.218 102 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.218 102 G C 1.620 176.539 174.900 0.032 0.000 1.154 102 G CA 0.964 46.090 45.100 0.043 0.000 0.767 102 G HN 0.475 nan 8.290 nan 0.000 0.552 103 S N 0.156 115.825 115.700 -0.051 0.000 2.383 103 S HA -0.125 4.345 4.470 -0.001 0.000 0.229 103 S C 2.157 176.835 174.600 0.129 0.000 1.030 103 S CA 1.219 59.331 58.200 -0.147 0.000 1.002 103 S CB -0.264 62.510 63.200 -0.711 0.000 0.829 103 S HN 0.280 nan 8.310 nan 0.000 0.467 104 L N 1.791 123.177 121.223 0.271 0.000 2.093 104 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 104 L C 2.117 179.116 176.870 0.215 0.000 1.085 104 L CA 1.455 56.501 54.840 0.343 0.000 0.755 104 L CB -0.674 41.554 42.059 0.282 0.000 0.904 104 L HN 0.119 nan 8.230 nan 0.000 0.435 105 V N -0.860 119.150 119.914 0.160 0.000 2.343 105 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 105 V C 2.577 178.755 176.094 0.139 0.000 1.051 105 V CA 1.931 64.306 62.300 0.125 0.000 1.036 105 V CB -0.882 30.995 31.823 0.090 0.000 0.654 105 V HN 0.507 nan 8.190 nan 0.000 0.451 106 S N -0.108 115.688 115.700 0.160 0.000 2.382 106 S HA -0.160 4.309 4.470 -0.001 0.000 0.228 106 S C 1.835 176.623 174.600 0.313 0.000 1.027 106 S CA 1.675 60.000 58.200 0.209 0.000 0.991 106 S CB -0.350 62.988 63.200 0.230 0.000 0.823 106 S HN 0.435 nan 8.310 nan 0.000 0.469 107 L N 1.506 122.924 121.223 0.325 0.000 2.023 107 L HA 0.061 4.401 4.340 -0.001 0.000 0.205 107 L C 2.248 179.249 176.870 0.218 0.000 1.073 107 L CA 1.865 56.893 54.840 0.313 0.000 0.745 107 L CB -0.490 41.722 42.059 0.256 0.000 0.900 107 L HN 0.256 nan 8.230 nan 0.000 0.435 108 E N -1.522 118.782 120.200 0.172 0.000 2.140 108 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 108 E C 2.087 178.822 176.600 0.225 0.000 0.973 108 E CA 0.607 57.091 56.400 0.141 0.000 0.829 108 E CB 0.028 29.790 29.700 0.103 0.000 0.781 108 E HN 0.413 nan 8.360 nan 0.000 0.466 109 M N -0.884 118.850 119.600 0.223 0.000 2.299 109 M HA 0.083 4.563 4.480 -0.001 0.000 0.264 109 M C 1.282 177.735 176.300 0.254 0.000 1.095 109 M CA 2.074 57.527 55.300 0.255 0.000 1.165 109 M CB 0.568 33.220 32.600 0.086 0.000 1.349 109 M HN 0.276 nan 8.290 nan 0.000 0.446 110 G N 1.751 110.643 108.800 0.153 0.000 2.184 110 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.206 110 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.206 110 G C 0.089 174.984 174.900 -0.009 0.000 0.995 110 G CA 0.390 45.538 45.100 0.079 0.000 0.651 110 G HN 0.602 nan 8.290 nan 0.000 0.511 111 K N 1.183 121.577 120.400 -0.009 0.000 2.168 111 K HA 0.679 4.999 4.320 -0.001 0.000 0.258 111 K C 1.278 177.874 176.600 -0.006 0.000 1.010 111 K CA -0.426 55.828 56.287 -0.056 0.000 0.929 111 K CB 1.336 33.779 32.500 -0.095 0.000 0.998 111 K HN 0.749 nan 8.250 nan 0.000 0.479 112 I N -0.569 119.991 120.570 -0.016 0.000 3.060 112 I HA -0.071 4.099 4.170 -0.001 0.000 0.285 112 I C 1.143 177.286 176.117 0.043 0.000 1.190 112 I CA -0.714 60.595 61.300 0.015 0.000 1.363 112 I CB 0.338 38.346 38.000 0.013 0.000 1.396 112 I HN 0.671 nan 8.210 nan 0.000 0.607 113 L N 4.321 125.576 121.223 0.055 0.000 2.046 113 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 113 L C 2.308 179.203 176.870 0.043 0.000 1.077 113 L CA 2.364 57.236 54.840 0.054 0.000 0.747 113 L CB -0.691 41.398 42.059 0.050 0.000 0.896 113 L HN 0.778 nan 8.230 nan 0.000 0.432 114 V N -3.108 116.832 119.914 0.044 0.000 2.469 114 V HA -0.255 3.865 4.120 -0.001 0.000 0.251 114 V C 2.181 178.315 176.094 0.066 0.000 1.064 114 V CA 1.998 64.328 62.300 0.049 0.000 1.066 114 V CB -1.099 30.755 31.823 0.051 0.000 0.667 114 V HN 0.568 nan 8.190 nan 0.000 0.461 115 E N 1.192 121.434 120.200 0.071 0.000 2.112 115 E HA 0.013 4.363 4.350 -0.001 0.000 0.190 115 E C 2.359 178.998 176.600 0.065 0.000 0.979 115 E CA 0.985 57.434 56.400 0.081 0.000 0.814 115 E CB -0.442 29.295 29.700 0.061 0.000 0.762 115 E HN 0.710 nan 8.360 nan 0.000 0.460 116 G N 1.332 110.162 108.800 0.050 0.000 2.446 116 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.217 116 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.217 116 G C 1.758 176.695 174.900 0.062 0.000 1.168 116 G CA 0.769 45.901 45.100 0.054 0.000 0.771 116 G HN 0.111 nan 8.290 nan 0.000 0.551 117 V N 1.550 121.495 119.914 0.051 0.000 2.358 117 V HA -0.050 4.069 4.120 -0.001 0.000 0.246 117 V C 3.164 179.296 176.094 0.063 0.000 1.047 117 V CA 1.960 64.288 62.300 0.047 0.000 1.035 117 V CB -1.046 30.794 31.823 0.029 0.000 0.658 117 V HN 0.449 nan 8.190 nan 0.000 0.452 118 G N -0.962 107.883 108.800 0.075 0.000 2.442 118 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.219 118 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.219 118 G C 1.529 176.496 174.900 0.112 0.000 1.141 118 G CA 1.020 46.175 45.100 0.093 0.000 0.763 118 G HN 0.561 nan 8.290 nan 0.000 0.554 119 E N -0.236 120.035 120.200 0.119 0.000 2.072 119 E HA -0.093 4.257 4.350 -0.001 0.000 0.191 119 E C 2.711 179.376 176.600 0.108 0.000 0.985 119 E CA 0.988 57.463 56.400 0.126 0.000 0.801 119 E CB -0.015 29.762 29.700 0.128 0.000 0.750 119 E HN 0.295 nan 8.360 nan 0.000 0.452 120 V N 0.927 120.906 119.914 0.108 0.000 2.407 120 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 120 V C 2.421 178.581 176.094 0.110 0.000 1.055 120 V CA 1.889 64.261 62.300 0.120 0.000 1.049 120 V CB -0.547 31.329 31.823 0.089 0.000 0.662 120 V HN 0.251 nan 8.190 nan 0.000 0.455 121 Q N 0.620 120.474 119.800 0.090 0.000 2.170 121 Q HA -0.230 4.110 4.340 -0.001 0.000 0.203 121 Q C 2.064 178.129 176.000 0.109 0.000 0.976 121 Q CA 2.054 57.906 55.803 0.081 0.000 0.858 121 Q CB -0.320 28.459 28.738 0.068 0.000 0.907 121 Q HN 0.701 nan 8.270 nan 0.000 0.433 122 E N -1.197 119.080 120.200 0.129 0.000 2.085 122 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 122 E C 1.591 178.321 176.600 0.216 0.000 0.994 122 E CA 1.294 57.794 56.400 0.168 0.000 0.801 122 E CB -0.491 29.306 29.700 0.162 0.000 0.743 122 E HN 0.503 nan 8.360 nan 0.000 0.453 123 Y N 0.421 120.723 120.300 0.003 0.000 2.145 123 Y HA -0.146 4.404 4.550 -0.001 0.000 0.286 123 Y C 2.168 178.084 175.900 0.027 0.000 1.145 123 Y CA 1.183 59.274 58.100 -0.015 0.000 1.148 123 Y CB -0.716 37.712 38.460 -0.052 0.000 0.981 123 Y HN -0.032 nan 8.280 nan 0.000 0.507 124 V N 0.722 120.706 119.914 0.118 0.000 2.282 124 V HA -0.325 3.795 4.120 -0.001 0.000 0.249 124 V C 2.195 178.341 176.094 0.087 0.000 1.057 124 V CA 2.310 64.627 62.300 0.028 0.000 1.032 124 V CB -0.647 31.183 31.823 0.012 0.000 0.645 124 V HN 0.304 nan 8.190 nan 0.000 0.447 125 D N -0.510 119.960 120.400 0.116 0.000 2.117 125 D HA -0.123 4.517 4.640 -0.001 0.000 0.198 125 D C 1.947 178.334 176.300 0.145 0.000 0.982 125 D CA 1.129 55.195 54.000 0.109 0.000 0.828 125 D CB -0.258 40.594 40.800 0.088 0.000 0.967 125 D HN 0.421 nan 8.370 nan 0.000 0.464 126 I N 0.685 121.369 120.570 0.190 0.000 2.361 126 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 126 I C 2.036 178.294 176.117 0.235 0.000 1.133 126 I CA 0.874 62.305 61.300 0.219 0.000 1.413 126 I CB -0.088 38.078 38.000 0.277 0.000 1.073 126 I HN -0.002 nan 8.210 nan 0.000 0.424 127 C N 0.474 119.899 119.300 0.209 0.000 2.413 127 C HA -0.170 4.289 4.460 -0.001 0.000 0.276 127 C C 2.403 177.458 174.990 0.108 0.000 1.236 127 C CA 1.068 60.168 59.018 0.137 0.000 1.735 127 C CB -1.250 26.526 27.740 0.059 0.000 2.031 127 C HN 0.520 nan 8.230 nan 0.000 0.474 128 D N -0.789 119.676 120.400 0.109 0.000 2.144 128 D HA -0.130 4.510 4.640 -0.001 0.000 0.199 128 D C 1.727 178.096 176.300 0.114 0.000 0.984 128 D CA 1.238 55.290 54.000 0.087 0.000 0.834 128 D CB -0.527 40.321 40.800 0.079 0.000 0.955 128 D HN 0.656 nan 8.370 nan 0.000 0.465 129 Y N 1.591 121.901 120.300 0.017 0.000 2.181 129 Y HA -0.142 4.407 4.550 -0.000 0.000 0.288 129 Y C 2.241 178.133 175.900 -0.012 0.000 1.146 129 Y CA 1.682 59.784 58.100 0.004 0.000 1.164 129 Y CB -0.285 38.182 38.460 0.012 0.000 0.982 129 Y HN -0.058 nan 8.280 nan 0.000 0.515 130 A N -0.805 122.068 122.820 0.088 0.000 2.015 130 A HA -0.101 4.219 4.320 -0.001 0.000 0.219 130 A C 2.292 179.821 177.584 -0.093 0.000 1.163 130 A CA 1.594 53.613 52.037 -0.031 0.000 0.646 130 A CB -1.216 17.818 19.000 0.056 0.000 0.806 130 A HN 0.347 nan 8.150 nan 0.000 0.448 131 V N -0.098 119.784 119.914 -0.052 0.000 2.287 131 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 131 V C 2.797 178.823 176.094 -0.114 0.000 1.053 131 V CA 2.089 64.352 62.300 -0.062 0.000 1.027 131 V CB -1.365 30.441 31.823 -0.028 0.000 0.646 131 V HN 0.599 nan 8.190 nan 0.000 0.447 132 G N -0.492 108.220 108.800 -0.147 0.000 2.402 132 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.216 132 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.216 132 G C 1.544 176.293 174.900 -0.251 0.000 1.162 132 G CA 0.886 45.876 45.100 -0.183 0.000 0.777 132 G HN 0.430 nan 8.290 nan 0.000 0.539 133 L N 2.092 123.108 121.223 -0.345 0.000 2.191 133 L HA -0.014 4.325 4.340 -0.001 0.000 0.212 133 L C 2.959 179.619 176.870 -0.350 0.000 1.103 133 L CA 2.107 56.707 54.840 -0.400 0.000 0.769 133 L CB -0.459 41.315 42.059 -0.475 0.000 0.908 133 L HN 0.337 nan 8.230 nan 0.000 0.438 134 S N -1.308 114.238 115.700 -0.258 0.000 2.507 134 S HA -0.133 4.337 4.470 -0.001 0.000 0.235 134 S C 1.882 176.354 174.600 -0.214 0.000 0.988 134 S CA 0.622 58.686 58.200 -0.226 0.000 0.944 134 S CB -0.467 62.638 63.200 -0.158 0.000 0.762 134 S HN 0.574 nan 8.310 nan 0.000 0.526 135 R N -0.468 119.911 120.500 -0.202 0.000 2.393 135 R HA 0.422 4.762 4.340 -0.001 0.000 0.244 135 R C 1.193 177.384 176.300 -0.181 0.000 0.920 135 R CA 0.211 56.211 56.100 -0.167 0.000 1.076 135 R CB 0.041 30.264 30.300 -0.128 0.000 1.119 135 R HN 0.502 nan 8.270 nan 0.000 0.524 136 M N 0.129 119.578 119.600 -0.252 0.000 2.447 136 M HA 0.209 4.689 4.480 -0.001 0.000 0.255 136 M C 0.563 176.649 176.300 -0.356 0.000 1.289 136 M CA -0.042 55.105 55.300 -0.255 0.000 1.128 136 M CB 0.481 32.931 32.600 -0.250 0.000 1.540 136 M HN -0.013 nan 8.290 nan 0.000 0.557 137 I N 0.890 121.114 120.570 -0.577 0.000 2.775 137 I HA 0.516 4.685 4.170 -0.001 0.000 0.290 137 I C 0.357 176.156 176.117 -0.531 0.000 1.203 137 I CA 0.203 60.902 61.300 -1.002 0.000 1.433 137 I CB -0.249 36.989 38.000 -1.271 0.000 1.354 137 I HN 0.268 nan 8.210 nan 0.000 0.579 138 G N 3.170 111.736 108.800 -0.391 0.000 2.356 138 G HA2 0.493 4.453 3.960 -0.001 0.000 0.288 138 G HA3 0.493 4.453 3.960 -0.001 0.000 0.288 138 G C -0.975 174.133 174.900 0.346 0.000 1.302 138 G CA -0.394 44.774 45.100 0.113 0.000 0.887 138 G HN 1.073 nan 8.290 nan 0.000 0.521 139 G N -0.656 108.427 108.800 0.473 0.000 2.818 139 G HA2 0.882 4.841 3.960 -0.001 0.000 0.286 139 G HA3 0.882 4.841 3.960 -0.001 0.000 0.286 139 G C -2.835 172.218 174.900 0.256 0.000 1.364 139 G CA -0.972 44.412 45.100 0.472 0.000 0.938 139 G HN 0.657 nan 8.290 nan 0.000 0.490 140 P HA 0.320 nan 4.420 nan 0.000 0.277 140 P C -0.633 176.729 177.300 0.103 0.000 1.240 140 P CA -0.399 62.779 63.100 0.130 0.000 0.798 140 P CB 1.893 33.661 31.700 0.113 0.000 0.979 141 I N 2.666 123.282 120.570 0.077 0.000 2.352 141 I HA 0.201 4.370 4.170 -0.001 0.000 0.290 141 I C -0.533 175.618 176.117 0.058 0.000 1.036 141 I CA -0.649 60.689 61.300 0.063 0.000 1.336 141 I CB 0.092 38.122 38.000 0.050 0.000 1.407 141 I HN 0.176 nan 8.210 nan 0.000 0.497 142 L N 8.971 130.228 121.223 0.057 0.000 2.330 142 L HA 0.595 4.934 4.340 -0.001 0.000 0.271 142 L C -2.251 174.649 176.870 0.050 0.000 1.013 142 L CA -1.913 52.957 54.840 0.050 0.000 0.816 142 L CB 1.655 43.742 42.059 0.046 0.000 1.287 142 L HN 0.480 nan 8.230 nan 0.000 0.435 143 P HA 0.113 nan 4.420 nan 0.000 0.286 143 P C -0.557 176.765 177.300 0.036 0.000 1.321 143 P CA -0.295 62.831 63.100 0.043 0.000 0.790 143 P CB 1.393 33.114 31.700 0.034 0.000 0.897 144 S N 2.042 117.770 115.700 0.047 0.000 2.562 144 S HA 0.017 4.487 4.470 -0.001 0.000 0.281 144 S C 1.418 176.017 174.600 -0.001 0.000 1.333 144 S CA -0.405 57.809 58.200 0.023 0.000 1.052 144 S CB 0.307 63.533 63.200 0.044 0.000 0.884 144 S HN 0.549 nan 8.310 nan 0.000 0.506 145 E N 3.531 123.712 120.200 -0.031 0.000 2.478 145 E HA -0.042 4.307 4.350 -0.001 0.000 0.198 145 E C -0.014 176.541 176.600 -0.074 0.000 1.046 145 E CA 0.477 56.852 56.400 -0.042 0.000 0.870 145 E CB 0.067 29.739 29.700 -0.046 0.000 0.818 145 E HN 0.491 nan 8.360 nan 0.000 0.527 146 R N 1.620 122.045 120.500 -0.124 0.000 2.229 146 R HA 0.241 4.581 4.340 -0.001 0.000 0.328 146 R C -0.408 175.851 176.300 -0.068 0.000 1.009 146 R CA -0.440 55.526 56.100 -0.223 0.000 0.864 146 R CB 1.626 31.524 30.300 -0.670 0.000 1.085 146 R HN -0.045 nan 8.270 nan 0.000 0.453 147 S N 1.686 117.374 115.700 -0.019 0.000 2.552 147 S HA 0.156 4.626 4.470 -0.001 0.000 0.289 147 S C 1.329 175.977 174.600 0.079 0.000 1.304 147 S CA 1.133 59.353 58.200 0.033 0.000 1.063 147 S CB 0.309 63.520 63.200 0.017 0.000 0.848 147 S HN 0.911 nan 8.310 nan 0.000 0.499 148 G N 3.347 112.117 108.800 -0.051 0.000 2.179 148 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.257 148 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.257 148 G C -0.247 174.040 174.900 -1.022 0.000 1.010 148 G CA 0.751 45.542 45.100 -0.515 0.000 0.736 148 G HN 0.934 nan 8.290 nan 0.000 0.513 149 H N -0.394 118.386 119.070 -0.484 0.000 2.690 149 H HA 0.775 5.330 4.556 -0.000 0.000 0.368 149 H C 0.343 175.724 175.328 0.089 0.000 1.150 149 H CA 0.178 56.075 56.048 -0.250 0.000 1.174 149 H CB 1.863 31.553 29.762 -0.121 0.000 1.684 149 H HN 0.578 nan 8.280 nan 0.000 0.538 150 A N 1.914 124.927 122.820 0.322 0.000 2.320 150 A HA 0.662 4.981 4.320 -0.001 0.000 0.334 150 A C -1.294 176.386 177.584 0.159 0.000 1.147 150 A CA -0.575 51.616 52.037 0.256 0.000 0.820 150 A CB 0.751 19.892 19.000 0.236 0.000 1.218 150 A HN 0.482 nan 8.150 nan 0.000 0.482 151 L N 2.851 124.141 121.223 0.111 0.000 2.404 151 L HA 0.739 5.078 4.340 -0.001 0.000 0.272 151 L C -0.879 176.028 176.870 0.061 0.000 0.980 151 L CA -0.350 54.534 54.840 0.074 0.000 0.836 151 L CB 1.308 43.401 42.059 0.057 0.000 1.238 151 L HN 0.685 nan 8.230 nan 0.000 0.408 152 I N 0.877 121.476 120.570 0.048 0.000 2.582 152 I HA 0.610 4.780 4.170 -0.001 0.000 0.292 152 I C -0.925 175.207 176.117 0.025 0.000 1.066 152 I CA -0.662 60.666 61.300 0.046 0.000 1.053 152 I CB 2.165 40.194 38.000 0.048 0.000 1.241 152 I HN 0.739 nan 8.210 nan 0.000 0.421 153 E N 5.594 125.819 120.200 0.042 0.000 2.081 153 E HA 0.268 4.618 4.350 -0.001 0.000 0.281 153 E C -1.043 175.570 176.600 0.021 0.000 0.986 153 E CA -0.583 55.816 56.400 -0.002 0.000 0.796 153 E CB 1.002 30.735 29.700 0.056 0.000 1.085 153 E HN 0.562 nan 8.360 nan 0.000 0.398 154 Q N 3.421 123.169 119.800 -0.086 0.000 2.226 154 Q HA 0.302 4.642 4.340 -0.001 0.000 0.256 154 Q C -1.245 174.648 176.000 -0.178 0.000 0.962 154 Q CA -0.413 55.384 55.803 -0.010 0.000 0.887 154 Q CB 1.546 30.284 28.738 -0.000 0.000 1.282 154 Q HN 0.535 nan 8.270 nan 0.000 0.449 155 W N 1.398 122.776 121.300 0.129 0.000 2.739 155 W HA 0.435 5.095 4.660 -0.001 0.000 0.331 155 W C 0.044 176.652 176.519 0.148 0.000 1.049 155 W CA -0.422 57.031 57.345 0.180 0.000 1.234 155 W CB 1.355 31.012 29.460 0.327 0.000 1.404 155 W HN 0.354 nan 8.180 nan 0.000 0.477 156 N N 2.921 121.835 118.700 0.356 0.000 2.321 156 N HA 0.459 5.199 4.740 -0.001 0.000 0.290 156 N C -2.783 172.925 175.510 0.330 0.000 1.212 156 N CA -1.740 51.479 53.050 0.281 0.000 0.767 156 N CB 2.313 40.923 38.487 0.205 0.000 1.494 156 N HN -0.065 nan 8.380 nan 0.000 0.479 157 P HA -0.025 nan 4.420 nan 0.000 0.268 157 P C 1.218 178.696 177.300 0.297 0.000 1.208 157 P CA -0.137 63.198 63.100 0.391 0.000 0.777 157 P CB 0.655 32.699 31.700 0.573 0.000 0.875 158 V N -0.480 119.569 119.914 0.224 0.000 2.719 158 V HA 0.242 4.362 4.120 -0.001 0.000 0.252 158 V C 1.255 177.285 176.094 -0.107 0.000 1.065 158 V CA 1.751 64.101 62.300 0.084 0.000 1.086 158 V CB -1.353 30.527 31.823 0.095 0.000 0.700 158 V HN 0.837 nan 8.190 nan 0.000 0.467 159 G N 0.616 109.321 108.800 -0.157 0.000 1.920 159 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.210 159 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.210 159 G C -0.690 174.035 174.900 -0.291 0.000 1.302 159 G CA -0.100 44.578 45.100 -0.703 0.000 1.333 159 G HN 0.741 nan 8.290 nan 0.000 0.452 160 L N 2.035 123.150 121.223 -0.180 0.000 2.264 160 L HA 0.794 5.133 4.340 -0.001 0.000 0.289 160 L C -0.150 176.757 176.870 0.061 0.000 1.044 160 L CA -0.870 53.963 54.840 -0.011 0.000 0.807 160 L CB 1.600 43.646 42.059 -0.022 0.000 1.192 160 L HN 0.508 nan 8.230 nan 0.000 0.425 161 V N 5.618 125.611 119.914 0.131 0.000 2.328 161 V HA 0.581 4.701 4.120 -0.001 0.000 0.278 161 V C 0.826 177.025 176.094 0.175 0.000 1.021 161 V CA -0.414 61.987 62.300 0.168 0.000 0.838 161 V CB 0.942 32.914 31.823 0.249 0.000 0.999 161 V HN 0.931 nan 8.190 nan 0.000 0.447 162 G N 5.162 114.063 108.800 0.168 0.000 2.390 162 G HA2 0.639 4.599 3.960 -0.001 0.000 0.270 162 G HA3 0.639 4.599 3.960 -0.001 0.000 0.270 162 G C -0.636 174.399 174.900 0.226 0.000 1.211 162 G CA -0.333 44.889 45.100 0.204 0.000 0.842 162 G HN 0.652 nan 8.290 nan 0.000 0.519 163 I N 2.507 123.242 120.570 0.276 0.000 2.439 163 I HA 0.304 4.474 4.170 -0.001 0.000 0.283 163 I C -0.451 175.878 176.117 0.354 0.000 1.023 163 I CA -0.401 61.066 61.300 0.278 0.000 1.100 163 I CB 1.785 39.932 38.000 0.244 0.000 1.238 163 I HN 0.217 nan 8.210 nan 0.000 0.445 164 I N 5.732 126.459 120.570 0.262 0.000 2.377 164 I HA 0.432 4.602 4.170 -0.001 0.000 0.293 164 I C 0.243 176.391 176.117 0.052 0.000 0.987 164 I CA -0.271 61.152 61.300 0.206 0.000 1.185 164 I CB 2.018 40.161 38.000 0.237 0.000 1.341 164 I HN 0.560 nan 8.210 nan 0.000 0.455 165 T N 2.473 117.097 114.554 0.117 0.000 2.916 165 T HA 0.825 5.175 4.350 -0.001 0.000 0.292 165 T C -0.275 174.414 174.700 -0.017 0.000 1.055 165 T CA -0.852 61.288 62.100 0.068 0.000 1.009 165 T CB 1.958 71.003 68.868 0.296 0.000 1.118 165 T HN 0.592 nan 8.240 nan 0.000 0.497 166 A N 1.257 124.031 122.820 -0.077 0.000 2.257 166 A HA 0.626 4.946 4.320 -0.001 0.000 0.289 166 A C 0.858 178.398 177.584 -0.073 0.000 1.095 166 A CA -0.818 51.153 52.037 -0.111 0.000 0.836 166 A CB -0.192 18.677 19.000 -0.218 0.000 1.111 166 A HN 1.153 nan 8.150 nan 0.000 0.497 167 F N 0.854 120.762 119.950 -0.070 0.000 2.293 167 F HA -0.096 4.430 4.527 -0.000 0.000 0.300 167 F C 1.644 177.306 175.800 -0.230 0.000 1.086 167 F CA 1.338 59.234 58.000 -0.174 0.000 1.375 167 F CB -0.489 38.319 39.000 -0.319 0.000 1.045 167 F HN 0.538 nan 8.300 nan 0.000 0.516 168 N N 0.161 118.311 118.700 -0.917 0.000 2.415 168 N HA -0.077 4.663 4.740 -0.001 0.000 0.176 168 N C -0.229 174.875 175.510 -0.676 0.000 1.042 168 N CA 0.491 53.051 53.050 -0.818 0.000 0.902 168 N CB -0.656 37.320 38.487 -0.851 0.000 0.986 168 N HN 0.387 nan 8.380 nan 0.000 0.447 169 F N 1.360 121.181 119.950 -0.216 0.000 2.531 169 F HA 0.435 4.962 4.527 -0.000 0.000 0.333 169 F C -1.690 174.033 175.800 -0.129 0.000 1.292 169 F CA -1.942 55.955 58.000 -0.171 0.000 1.184 169 F CB 1.919 40.776 39.000 -0.237 0.000 1.426 169 F HN -0.091 nan 8.300 nan 0.000 0.559 170 P HA -0.036 nan 4.420 nan 0.000 0.233 170 P C 1.097 178.531 177.300 0.223 0.000 1.167 170 P CA 0.920 64.097 63.100 0.128 0.000 0.770 170 P CB 0.823 32.579 31.700 0.093 0.000 0.837 171 V N 0.075 120.064 119.914 0.126 0.000 2.743 171 V HA 0.146 4.265 4.120 -0.001 0.000 0.237 171 V C 2.685 178.685 176.094 -0.156 0.000 1.113 171 V CA 1.386 63.753 62.300 0.111 0.000 1.141 171 V CB -1.188 30.729 31.823 0.158 0.000 0.873 171 V HN -0.003 nan 8.190 nan 0.000 0.486 172 A N 0.071 122.728 122.820 -0.272 0.000 1.930 172 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 172 A C 2.295 179.074 177.584 -1.341 0.000 1.175 172 A CA 1.866 53.467 52.037 -0.727 0.000 0.627 172 A CB -0.521 18.087 19.000 -0.654 0.000 0.815 172 A HN 0.292 nan 8.150 nan 0.000 0.443 173 V N -1.342 118.005 119.914 -0.946 0.000 2.307 173 V HA -0.265 3.855 4.120 -0.001 0.000 0.245 173 V C 2.338 178.136 176.094 -0.492 0.000 1.045 173 V CA 2.050 63.898 62.300 -0.753 0.000 1.024 173 V CB -1.045 30.599 31.823 -0.299 0.000 0.651 173 V HN 0.710 nan 8.190 nan 0.000 0.449 174 Y N 2.033 121.984 120.300 -0.581 0.000 2.114 174 Y HA -0.205 4.345 4.550 -0.000 0.000 0.282 174 Y C 2.322 177.707 175.900 -0.858 0.000 1.165 174 Y CA 1.778 59.394 58.100 -0.807 0.000 1.148 174 Y CB -0.956 36.659 38.460 -1.408 0.000 0.972 174 Y HN 0.189 nan 8.280 nan 0.000 0.504 175 G N -0.344 107.710 108.800 -1.244 0.000 2.446 175 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.217 175 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.217 175 G C 1.355 175.756 174.900 -0.831 0.000 1.168 175 G CA 0.966 44.958 45.100 -1.846 0.000 0.771 175 G HN 0.519 nan 8.290 nan 0.000 0.551 176 W N 1.332 122.321 121.300 -0.519 0.000 2.338 176 W HA -0.033 4.627 4.660 -0.001 0.000 0.304 176 W C 2.439 178.779 176.519 -0.298 0.000 1.212 176 W CA 0.792 57.958 57.345 -0.298 0.000 1.264 176 W CB -1.043 28.291 29.460 -0.210 0.000 1.142 176 W HN 0.235 nan 8.180 nan 0.000 0.512 177 N N 0.047 118.673 118.700 -0.123 0.000 2.135 177 N HA -0.168 4.572 4.740 -0.001 0.000 0.186 177 N C 1.621 176.935 175.510 -0.328 0.000 1.027 177 N CA 1.162 54.134 53.050 -0.129 0.000 0.849 177 N CB -0.919 37.536 38.487 -0.053 0.000 1.002 177 N HN 0.284 nan 8.380 nan 0.000 0.425 178 N N 1.641 119.984 118.700 -0.594 0.000 2.043 178 N HA -0.142 4.598 4.740 -0.001 0.000 0.193 178 N C 1.679 177.058 175.510 -0.217 0.000 1.037 178 N CA 1.552 54.282 53.050 -0.534 0.000 0.851 178 N CB -0.006 37.914 38.487 -0.945 0.000 1.027 178 N HN 0.111 nan 8.380 nan 0.000 0.422 179 A N 1.586 124.320 122.820 -0.144 0.000 1.877 179 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 179 A C 2.293 179.856 177.584 -0.036 0.000 1.186 179 A CA 1.006 53.051 52.037 0.013 0.000 0.620 179 A CB -0.460 18.609 19.000 0.115 0.000 0.822 179 A HN 0.336 nan 8.150 nan 0.000 0.443 180 I N -0.035 120.451 120.570 -0.139 0.000 2.163 180 I HA -0.200 3.970 4.170 -0.001 0.000 0.240 180 I C 2.992 178.937 176.117 -0.288 0.000 1.081 180 I CA 1.431 62.592 61.300 -0.231 0.000 1.353 180 I CB -1.718 36.065 38.000 -0.361 0.000 1.054 180 I HN 0.354 nan 8.210 nan 0.000 0.407 181 A N 0.757 123.338 122.820 -0.397 0.000 1.908 181 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 181 A C 2.352 180.016 177.584 0.133 0.000 1.181 181 A CA 1.644 53.616 52.037 -0.108 0.000 0.627 181 A CB -0.474 18.547 19.000 0.035 0.000 0.818 181 A HN 0.287 nan 8.150 nan 0.000 0.445 182 M N -0.207 119.481 119.600 0.146 0.000 2.099 182 M HA -0.100 4.380 4.480 -0.001 0.000 0.262 182 M C 2.366 178.872 176.300 0.344 0.000 1.067 182 M CA 1.839 57.367 55.300 0.379 0.000 1.124 182 M CB -1.161 31.616 32.600 0.296 0.000 1.353 182 M HN 0.712 nan 8.290 nan 0.000 0.410 183 I N -2.393 118.258 120.570 0.135 0.000 2.493 183 I HA -0.180 3.990 4.170 -0.001 0.000 0.254 183 I C 1.968 178.062 176.117 -0.039 0.000 1.160 183 I CA 1.102 62.408 61.300 0.010 0.000 1.445 183 I CB -0.886 37.080 38.000 -0.057 0.000 1.086 183 I HN 0.092 nan 8.210 nan 0.000 0.433 184 C N 2.427 121.751 119.300 0.039 0.000 2.539 184 C HA 0.381 4.841 4.460 -0.001 0.000 0.271 184 C C 1.913 176.993 174.990 0.150 0.000 1.412 184 C CA 0.499 59.572 59.018 0.092 0.000 1.729 184 C CB -1.704 26.156 27.740 0.201 0.000 1.739 184 C HN 0.926 nan 8.230 nan 0.000 0.570 185 G N 1.542 110.411 108.800 0.115 0.000 2.136 185 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.242 185 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.242 185 G C -0.256 174.933 174.900 0.482 0.000 0.989 185 G CA -0.176 44.952 45.100 0.047 0.000 0.682 185 G HN 0.559 nan 8.290 nan 0.000 0.522 186 N N -0.168 118.889 118.700 0.595 0.000 2.489 186 N HA 0.585 5.325 4.740 -0.001 0.000 0.284 186 N C 0.599 176.480 175.510 0.618 0.000 1.158 186 N CA 0.245 53.676 53.050 0.636 0.000 0.965 186 N CB 2.284 41.014 38.487 0.405 0.000 1.195 186 N HN 0.663 nan 8.380 nan 0.000 0.506 187 V N -1.762 118.449 119.914 0.494 0.000 2.837 187 V HA 0.621 4.741 4.120 -0.001 0.000 0.310 187 V C 0.019 176.212 176.094 0.165 0.000 1.059 187 V CA -0.656 61.773 62.300 0.215 0.000 1.004 187 V CB 1.058 33.001 31.823 0.200 0.000 1.045 187 V HN 0.617 nan 8.190 nan 0.000 0.465 188 C N 4.028 123.395 119.300 0.113 0.000 2.507 188 C HA 0.818 5.277 4.460 -0.001 0.000 0.319 188 C C -0.431 174.665 174.990 0.176 0.000 1.208 188 C CA -0.483 58.631 59.018 0.159 0.000 1.619 188 C CB 0.876 28.715 27.740 0.166 0.000 2.230 188 C HN 0.973 nan 8.230 nan 0.000 0.492 189 L N 3.162 124.513 121.223 0.215 0.000 2.404 189 L HA 0.640 4.979 4.340 -0.001 0.000 0.272 189 L C -1.379 175.698 176.870 0.345 0.000 0.980 189 L CA -0.132 54.843 54.840 0.226 0.000 0.836 189 L CB 0.734 42.886 42.059 0.156 0.000 1.238 189 L HN 0.814 nan 8.230 nan 0.000 0.408 190 W N 6.228 127.599 121.300 0.118 0.000 2.433 190 W HA 0.500 5.160 4.660 -0.000 0.000 0.315 190 W C -0.752 175.794 176.519 0.043 0.000 1.087 190 W CA -1.022 56.365 57.345 0.071 0.000 1.205 190 W CB 1.120 30.481 29.460 -0.164 0.000 1.288 190 W HN 0.588 nan 8.180 nan 0.000 0.504 191 K N 5.113 125.678 120.400 0.275 0.000 2.521 191 K HA 0.489 4.808 4.320 -0.001 0.000 0.248 191 K C 0.189 176.741 176.600 -0.079 0.000 0.978 191 K CA -0.351 55.935 56.287 -0.000 0.000 0.947 191 K CB 0.537 33.094 32.500 0.095 0.000 1.165 191 K HN 0.707 nan 8.250 nan 0.000 0.445 192 G N 1.759 110.273 108.800 -0.477 0.000 2.543 192 G HA2 0.486 4.446 3.960 -0.001 0.000 0.290 192 G HA3 0.486 4.446 3.960 -0.001 0.000 0.290 192 G C -0.640 174.200 174.900 -0.101 0.000 1.310 192 G CA -0.680 44.261 45.100 -0.266 0.000 1.025 192 G HN 0.685 nan 8.290 nan 0.000 0.502 193 A N 0.132 122.945 122.820 -0.011 0.000 2.488 193 A HA 0.466 4.786 4.320 -0.001 0.000 0.249 193 A C -1.029 176.571 177.584 0.027 0.000 1.083 193 A CA -0.729 51.340 52.037 0.054 0.000 0.768 193 A CB 0.432 19.518 19.000 0.145 0.000 1.017 193 A HN 0.363 nan 8.150 nan 0.000 0.496 194 P HA -0.137 nan 4.420 nan 0.000 0.218 194 P C 1.427 178.752 177.300 0.042 0.000 1.148 194 P CA 2.004 65.114 63.100 0.017 0.000 0.822 194 P CB -0.063 31.651 31.700 0.024 0.000 0.784 195 T N -4.996 109.620 114.554 0.104 0.000 3.160 195 T HA -0.001 4.349 4.350 -0.001 0.000 0.257 195 T C 0.975 175.792 174.700 0.194 0.000 1.147 195 T CA 1.091 63.276 62.100 0.142 0.000 1.064 195 T CB -1.198 67.786 68.868 0.194 0.000 0.949 195 T HN 0.191 nan 8.240 nan 0.000 0.526 196 T N -1.985 112.647 114.554 0.130 0.000 3.331 196 T HA 0.400 4.750 4.350 -0.001 0.000 0.282 196 T C 1.386 176.077 174.700 -0.016 0.000 1.010 196 T CA -0.402 61.751 62.100 0.087 0.000 0.928 196 T CB 0.074 69.002 68.868 0.099 0.000 1.154 196 T HN 0.114 nan 8.240 nan 0.000 0.516 197 S N 1.494 117.171 115.700 -0.040 0.000 2.370 197 S HA -0.007 4.463 4.470 -0.001 0.000 0.226 197 S C 1.821 176.363 174.600 -0.098 0.000 1.033 197 S CA 1.116 59.257 58.200 -0.099 0.000 1.011 197 S CB -0.406 62.749 63.200 -0.074 0.000 0.852 197 S HN 0.531 nan 8.310 nan 0.000 0.457 198 L N 0.804 121.990 121.223 -0.062 0.000 2.083 198 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 198 L C 2.195 179.048 176.870 -0.028 0.000 1.083 198 L CA 1.067 55.873 54.840 -0.057 0.000 0.752 198 L CB -0.622 41.399 42.059 -0.062 0.000 0.899 198 L HN 0.289 nan 8.230 nan 0.000 0.433 199 I N -0.697 119.873 120.570 -0.001 0.000 2.179 199 I HA -0.295 3.875 4.170 -0.001 0.000 0.242 199 I C 2.629 178.760 176.117 0.023 0.000 1.088 199 I CA 1.335 62.665 61.300 0.050 0.000 1.357 199 I CB -0.292 37.760 38.000 0.087 0.000 1.051 199 I HN 0.161 nan 8.210 nan 0.000 0.409 200 S N 0.256 115.856 115.700 -0.165 0.000 2.368 200 S HA -0.145 4.325 4.470 -0.001 0.000 0.225 200 S C 2.111 176.573 174.600 -0.230 0.000 1.030 200 S CA 1.254 59.129 58.200 -0.542 0.000 0.999 200 S CB -0.362 62.213 63.200 -1.042 0.000 0.844 200 S HN 0.225 nan 8.310 nan 0.000 0.459 201 V N 2.051 121.902 119.914 -0.105 0.000 2.295 201 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 201 V C 2.685 178.824 176.094 0.076 0.000 1.049 201 V CA 1.763 64.087 62.300 0.039 0.000 1.024 201 V CB -1.251 30.570 31.823 -0.003 0.000 0.648 201 V HN 0.552 nan 8.190 nan 0.000 0.447 202 A N -0.356 122.490 122.820 0.043 0.000 1.902 202 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 202 A C 2.390 180.051 177.584 0.127 0.000 1.181 202 A CA 2.167 54.240 52.037 0.060 0.000 0.623 202 A CB -0.705 18.334 19.000 0.064 0.000 0.818 202 A HN 0.339 nan 8.150 nan 0.000 0.443 203 V N -0.352 119.685 119.914 0.206 0.000 2.358 203 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 203 V C 2.737 178.998 176.094 0.278 0.000 1.047 203 V CA 2.438 64.913 62.300 0.292 0.000 1.035 203 V CB -1.219 30.887 31.823 0.472 0.000 0.658 203 V HN 0.608 nan 8.190 nan 0.000 0.452 204 T N -0.446 114.287 114.554 0.297 0.000 2.788 204 T HA -0.218 4.132 4.350 -0.001 0.000 0.268 204 T C 1.927 176.731 174.700 0.175 0.000 1.044 204 T CA 1.473 63.716 62.100 0.239 0.000 1.139 204 T CB -0.217 68.790 68.868 0.232 0.000 0.867 204 T HN 0.463 nan 8.240 nan 0.000 0.454 205 K N 0.515 121.052 120.400 0.228 0.000 2.057 205 K HA 0.002 4.322 4.320 -0.001 0.000 0.207 205 K C 2.172 178.812 176.600 0.067 0.000 1.049 205 K CA 1.147 57.519 56.287 0.142 0.000 0.931 205 K CB -0.310 32.181 32.500 -0.016 0.000 0.714 205 K HN 0.337 nan 8.250 nan 0.000 0.440 206 I N 0.807 121.419 120.570 0.070 0.000 2.179 206 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 206 I C 2.177 178.317 176.117 0.039 0.000 1.088 206 I CA 1.315 62.642 61.300 0.046 0.000 1.357 206 I CB -0.229 37.797 38.000 0.044 0.000 1.051 206 I HN 0.104 nan 8.210 nan 0.000 0.409 207 I N 0.657 121.266 120.570 0.065 0.000 2.252 207 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 207 I C 2.803 178.933 176.117 0.022 0.000 1.102 207 I CA 1.239 62.574 61.300 0.059 0.000 1.385 207 I CB -0.529 37.551 38.000 0.133 0.000 1.064 207 I HN 0.164 nan 8.210 nan 0.000 0.414 208 A N 0.848 123.640 122.820 -0.047 0.000 1.908 208 A HA -0.295 4.025 4.320 -0.001 0.000 0.218 208 A C 2.396 179.993 177.584 0.021 0.000 1.181 208 A CA 2.150 54.116 52.037 -0.118 0.000 0.627 208 A CB -0.598 18.062 19.000 -0.567 0.000 0.818 208 A HN 0.384 nan 8.150 nan 0.000 0.445 209 K N -0.373 120.045 120.400 0.029 0.000 2.057 209 K HA -0.086 4.234 4.320 -0.001 0.000 0.207 209 K C 1.808 178.433 176.600 0.042 0.000 1.049 209 K CA 1.527 57.842 56.287 0.046 0.000 0.931 209 K CB -0.256 32.264 32.500 0.034 0.000 0.714 209 K HN 0.244 nan 8.250 nan 0.000 0.440 210 V N 1.802 121.735 119.914 0.033 0.000 2.295 210 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 210 V C 2.335 178.453 176.094 0.040 0.000 1.049 210 V CA 1.675 63.995 62.300 0.032 0.000 1.024 210 V CB -0.387 31.450 31.823 0.024 0.000 0.648 210 V HN 0.320 nan 8.190 nan 0.000 0.447 211 L N -0.380 120.867 121.223 0.039 0.000 2.017 211 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 211 L C 2.596 179.501 176.870 0.058 0.000 1.073 211 L CA 1.801 56.663 54.840 0.036 0.000 0.745 211 L CB -0.666 41.408 42.059 0.025 0.000 0.894 211 L HN 0.377 nan 8.230 nan 0.000 0.432 212 E N -0.073 120.174 120.200 0.079 0.000 2.106 212 E HA -0.212 4.138 4.350 -0.001 0.000 0.192 212 E C 1.737 178.374 176.600 0.063 0.000 0.984 212 E CA 1.137 57.587 56.400 0.083 0.000 0.806 212 E CB -0.078 29.689 29.700 0.112 0.000 0.750 212 E HN 0.421 nan 8.360 nan 0.000 0.458 213 D N 0.636 121.069 120.400 0.055 0.000 2.182 213 D HA -0.113 4.527 4.640 -0.001 0.000 0.201 213 D C 1.182 177.508 176.300 0.044 0.000 0.986 213 D CA 0.839 54.865 54.000 0.044 0.000 0.847 213 D CB -0.191 40.631 40.800 0.037 0.000 0.942 213 D HN 0.110 nan 8.370 nan 0.000 0.467 214 N N 0.642 119.372 118.700 0.050 0.000 2.268 214 N HA -0.011 4.729 4.740 -0.001 0.000 0.204 214 N C -0.215 175.330 175.510 0.058 0.000 1.124 214 N CA 0.059 53.142 53.050 0.055 0.000 0.838 214 N CB 0.533 39.062 38.487 0.070 0.000 0.994 214 N HN 0.121 nan 8.380 nan 0.000 0.489 215 K N 0.455 120.886 120.400 0.052 0.000 3.035 215 K HA -0.181 4.139 4.320 -0.001 0.000 0.262 215 K C -0.494 176.138 176.600 0.053 0.000 1.024 215 K CA 0.644 56.960 56.287 0.048 0.000 0.748 215 K CB -1.785 30.739 32.500 0.041 0.000 1.247 215 K HN 0.326 nan 8.250 nan 0.000 0.482 216 L N 1.053 122.310 121.223 0.056 0.000 2.331 216 L HA 0.417 4.756 4.340 -0.001 0.000 0.275 216 L C -1.736 175.148 176.870 0.022 0.000 1.022 216 L CA -2.306 52.566 54.840 0.054 0.000 0.812 216 L CB 1.048 43.142 42.059 0.058 0.000 1.257 216 L HN -0.115 nan 8.230 nan 0.000 0.435 217 P HA 0.029 nan 4.420 nan 0.000 0.271 217 P C 0.559 177.826 177.300 -0.055 0.000 1.226 217 P CA -0.088 62.998 63.100 -0.024 0.000 0.765 217 P CB 0.992 32.679 31.700 -0.022 0.000 0.835 218 G N 3.047 111.815 108.800 -0.054 0.000 2.471 218 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.219 218 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.219 218 G C 1.406 176.236 174.900 -0.116 0.000 1.125 218 G CA 0.600 45.705 45.100 0.007 0.000 0.775 218 G HN 0.588 nan 8.290 nan 0.000 0.548 219 A N 0.507 123.199 122.820 -0.214 0.000 2.216 219 A HA 0.169 4.489 4.320 -0.001 0.000 0.214 219 A C 2.169 179.693 177.584 -0.099 0.000 1.160 219 A CA 0.463 52.388 52.037 -0.187 0.000 0.725 219 A CB -0.313 18.587 19.000 -0.167 0.000 0.784 219 A HN 0.409 nan 8.150 nan 0.000 0.472 220 I N -0.946 119.541 120.570 -0.138 0.000 2.264 220 I HA -0.259 3.911 4.170 -0.001 0.000 0.248 220 I C 0.297 176.326 176.117 -0.146 0.000 1.111 220 I CA 0.659 61.809 61.300 -0.250 0.000 1.382 220 I CB -0.171 37.474 38.000 -0.591 0.000 1.060 220 I HN 0.308 nan 8.210 nan 0.000 0.418 221 C N 1.044 120.325 119.300 -0.031 0.000 2.816 221 C HA 0.400 4.860 4.460 -0.001 0.000 0.255 221 C C 0.617 175.720 174.990 0.189 0.000 1.141 221 C CA -0.913 58.172 59.018 0.111 0.000 1.554 221 C CB -0.694 27.137 27.740 0.150 0.000 1.778 221 C HN 0.172 nan 8.230 nan 0.000 0.429 222 S N 1.655 117.431 115.700 0.127 0.000 2.617 222 S HA 0.667 5.137 4.470 -0.001 0.000 0.269 222 S C -0.424 174.271 174.600 0.159 0.000 1.292 222 S CA -0.342 57.906 58.200 0.080 0.000 1.010 222 S CB 1.148 64.340 63.200 -0.014 0.000 0.944 222 S HN 0.609 nan 8.310 nan 0.000 0.536 223 L N 2.557 123.834 121.223 0.091 0.000 2.409 223 L HA 0.594 4.934 4.340 -0.001 0.000 0.272 223 L C -0.508 176.378 176.870 0.026 0.000 0.980 223 L CA -0.080 54.804 54.840 0.073 0.000 0.826 223 L CB 1.899 43.979 42.059 0.035 0.000 1.268 223 L HN 0.737 nan 8.230 nan 0.000 0.407 224 T N 1.076 115.655 114.554 0.041 0.000 3.150 224 T HA 0.373 4.723 4.350 -0.001 0.000 0.383 224 T C -0.037 174.669 174.700 0.010 0.000 1.313 224 T CA -0.455 61.679 62.100 0.056 0.000 1.235 224 T CB -0.245 68.718 68.868 0.159 0.000 1.088 224 T HN 0.612 nan 8.240 nan 0.000 0.556 225 C N 2.871 122.151 119.300 -0.033 0.000 2.642 225 C HA 0.764 5.224 4.460 -0.001 0.000 0.420 225 C C 1.499 176.474 174.990 -0.024 0.000 1.349 225 C CA 0.807 59.781 59.018 -0.074 0.000 1.821 225 C CB -0.714 26.981 27.740 -0.074 0.000 2.637 225 C HN 1.261 nan 8.230 nan 0.000 0.605 226 G N 1.965 110.747 108.800 -0.030 0.000 2.341 226 G HA2 0.584 4.544 3.960 -0.001 0.000 0.299 226 G HA3 0.584 4.544 3.960 -0.001 0.000 0.299 226 G C -0.462 174.436 174.900 -0.002 0.000 1.274 226 G CA 0.131 45.226 45.100 -0.009 0.000 0.853 226 G HN 0.977 nan 8.290 nan 0.000 0.493 227 G N -1.340 107.463 108.800 0.005 0.000 3.099 227 G HA2 0.651 4.611 3.960 -0.001 0.000 0.151 227 G HA3 0.651 4.611 3.960 -0.001 0.000 0.151 227 G C 1.534 176.449 174.900 0.024 0.000 1.265 227 G CA 0.932 46.044 45.100 0.019 0.000 0.981 227 G HN 1.627 nan 8.290 nan 0.000 0.601 228 A N 0.336 123.172 122.820 0.027 0.000 1.972 228 A HA -0.057 4.263 4.320 -0.001 0.000 0.219 228 A C 2.003 179.584 177.584 -0.006 0.000 1.169 228 A CA 2.461 54.514 52.037 0.027 0.000 0.635 228 A CB -0.769 18.245 19.000 0.024 0.000 0.810 228 A HN 0.638 nan 8.150 nan 0.000 0.446 229 D N 0.591 120.978 120.400 -0.022 0.000 2.104 229 D HA -0.194 4.445 4.640 -0.001 0.000 0.194 229 D C 1.704 177.942 176.300 -0.103 0.000 0.994 229 D CA 1.427 55.395 54.000 -0.053 0.000 0.830 229 D CB -0.654 40.119 40.800 -0.045 0.000 0.959 229 D HN 0.358 nan 8.370 nan 0.000 0.452 230 I N 1.353 121.865 120.570 -0.098 0.000 2.315 230 I HA -0.053 4.117 4.170 -0.001 0.000 0.248 230 I C 2.700 178.734 176.117 -0.138 0.000 1.117 230 I CA 1.244 62.440 61.300 -0.174 0.000 1.404 230 I CB -1.506 36.452 38.000 -0.070 0.000 1.071 230 I HN 0.188 nan 8.210 nan 0.000 0.419 231 G N 0.403 109.188 108.800 -0.026 0.000 2.418 231 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 231 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 231 G C 1.680 176.581 174.900 0.003 0.000 1.158 231 G CA 1.364 46.492 45.100 0.047 0.000 0.771 231 G HN 0.309 nan 8.290 nan 0.000 0.545 232 T N 1.555 116.084 114.554 -0.040 0.000 2.777 232 T HA 0.075 4.425 4.350 -0.001 0.000 0.266 232 T C 2.829 177.476 174.700 -0.089 0.000 1.040 232 T CA 1.360 63.425 62.100 -0.058 0.000 1.141 232 T CB -0.345 68.489 68.868 -0.056 0.000 0.868 232 T HN 0.369 nan 8.240 nan 0.000 0.444 233 A N 1.535 124.251 122.820 -0.173 0.000 1.908 233 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 233 A C 2.319 179.816 177.584 -0.145 0.000 1.181 233 A CA 1.733 53.616 52.037 -0.256 0.000 0.627 233 A CB -0.726 17.902 19.000 -0.619 0.000 0.818 233 A HN 0.472 nan 8.150 nan 0.000 0.445 234 M N -0.572 118.965 119.600 -0.104 0.000 2.117 234 M HA -0.141 4.339 4.480 -0.001 0.000 0.262 234 M C 2.495 178.841 176.300 0.077 0.000 1.065 234 M CA 1.482 56.839 55.300 0.096 0.000 1.114 234 M CB -0.413 32.280 32.600 0.155 0.000 1.361 234 M HN 0.460 nan 8.290 nan 0.000 0.408 235 A N 0.366 123.204 122.820 0.029 0.000 1.972 235 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 235 A C 2.036 179.619 177.584 -0.002 0.000 1.169 235 A CA 1.599 53.639 52.037 0.005 0.000 0.635 235 A CB -0.442 18.535 19.000 -0.039 0.000 0.810 235 A HN 0.474 nan 8.150 nan 0.000 0.446 236 K N -0.610 119.789 120.400 -0.002 0.000 2.367 236 K HA 0.035 4.354 4.320 -0.001 0.000 0.194 236 K C -0.338 176.279 176.600 0.029 0.000 1.027 236 K CA 0.018 56.304 56.287 -0.001 0.000 1.075 236 K CB 0.253 32.743 32.500 -0.015 0.000 0.845 236 K HN 0.271 nan 8.250 nan 0.000 0.529 237 D N 2.118 122.555 120.400 0.062 0.000 2.336 237 D HA 0.015 4.655 4.640 -0.001 0.000 0.249 237 D C 0.434 176.776 176.300 0.069 0.000 1.213 237 D CA 0.181 54.239 54.000 0.096 0.000 0.870 237 D CB 0.928 41.842 40.800 0.189 0.000 1.076 237 D HN 0.066 nan 8.370 nan 0.000 0.483 238 E N 2.396 122.628 120.200 0.052 0.000 2.333 238 E HA -0.158 4.192 4.350 -0.001 0.000 0.198 238 E C 1.338 177.954 176.600 0.025 0.000 1.007 238 E CA 0.611 57.035 56.400 0.039 0.000 0.845 238 E CB 0.310 30.032 29.700 0.036 0.000 0.766 238 E HN 0.418 nan 8.360 nan 0.000 0.507 239 R N 0.320 120.837 120.500 0.028 0.000 2.276 239 R HA 0.026 4.366 4.340 -0.001 0.000 0.203 239 R C 0.318 176.618 176.300 0.000 0.000 1.017 239 R CA 0.188 56.289 56.100 0.001 0.000 1.010 239 R CB 0.378 30.676 30.300 -0.003 0.000 0.900 239 R HN -0.080 nan 8.270 nan 0.000 0.469 240 V N 2.608 122.545 119.914 0.039 0.000 2.322 240 V HA 0.042 4.162 4.120 -0.001 0.000 0.258 240 V C 0.301 176.417 176.094 0.036 0.000 1.074 240 V CA -0.121 62.211 62.300 0.053 0.000 0.909 240 V CB 0.802 32.688 31.823 0.105 0.000 1.090 240 V HN 0.272 nan 8.190 nan 0.000 0.486 241 N N 3.246 121.950 118.700 0.007 0.000 2.142 241 N HA -0.035 4.705 4.740 -0.001 0.000 0.186 241 N C 0.216 175.742 175.510 0.027 0.000 1.023 241 N CA 0.803 53.853 53.050 0.000 0.000 0.852 241 N CB 0.118 38.579 38.487 -0.042 0.000 0.998 241 N HN 0.526 nan 8.380 nan 0.000 0.424 242 L N 0.299 121.549 121.223 0.044 0.000 2.385 242 L HA 0.538 4.878 4.340 -0.001 0.000 0.273 242 L C -1.760 175.151 176.870 0.070 0.000 0.990 242 L CA -1.012 53.853 54.840 0.041 0.000 0.821 242 L CB 1.634 43.709 42.059 0.026 0.000 1.279 242 L HN -0.083 nan 8.230 nan 0.000 0.412 243 L N 4.068 125.332 121.223 0.068 0.000 2.298 243 L HA 0.602 4.942 4.340 -0.001 0.000 0.284 243 L C -0.412 176.530 176.870 0.120 0.000 1.013 243 L CA 0.239 55.147 54.840 0.113 0.000 0.824 243 L CB 1.517 43.644 42.059 0.114 0.000 1.221 243 L HN 0.715 nan 8.230 nan 0.000 0.418 244 S N 5.470 121.259 115.700 0.148 0.000 2.430 244 S HA 0.516 4.986 4.470 -0.001 0.000 0.289 244 S C -0.894 173.842 174.600 0.227 0.000 1.143 244 S CA -0.376 57.917 58.200 0.155 0.000 1.067 244 S CB -0.072 63.219 63.200 0.152 0.000 0.964 244 S HN 0.465 nan 8.310 nan 0.000 0.485 245 F N 4.427 124.427 119.950 0.083 0.000 2.477 245 F HA 0.528 5.054 4.527 -0.001 0.000 0.335 245 F C -0.365 175.490 175.800 0.092 0.000 1.130 245 F CA -0.249 57.803 58.000 0.088 0.000 0.948 245 F CB 1.797 40.833 39.000 0.060 0.000 1.154 245 F HN 0.419 nan 8.300 nan 0.000 0.439 246 T N 4.936 119.151 114.554 -0.565 0.000 2.786 246 T HA 0.789 5.139 4.350 -0.001 0.000 0.283 246 T C -0.078 174.188 174.700 -0.724 0.000 0.992 246 T CA -0.325 61.547 62.100 -0.379 0.000 0.954 246 T CB 1.134 69.936 68.868 -0.110 0.000 0.934 246 T HN 1.058 nan 8.240 nan 0.000 0.440 247 G N 1.796 110.365 108.800 -0.385 0.000 2.356 247 G HA2 0.457 4.417 3.960 -0.001 0.000 0.281 247 G HA3 0.457 4.417 3.960 -0.001 0.000 0.281 247 G C -0.565 174.402 174.900 0.113 0.000 1.246 247 G CA -0.396 44.588 45.100 -0.193 0.000 0.889 247 G HN 0.864 nan 8.290 nan 0.000 0.486 248 S N -0.631 115.167 115.700 0.163 0.000 2.579 248 S HA 0.386 4.855 4.470 -0.001 0.000 0.275 248 S C 1.373 176.084 174.600 0.185 0.000 1.345 248 S CA 1.062 59.336 58.200 0.123 0.000 1.031 248 S CB 1.242 64.496 63.200 0.091 0.000 0.892 248 S HN 0.813 nan 8.310 nan 0.000 0.529 249 T N 2.128 116.758 114.554 0.127 0.000 2.746 249 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 249 T C 2.634 177.363 174.700 0.048 0.000 1.039 249 T CA 2.042 64.202 62.100 0.100 0.000 1.142 249 T CB -1.060 67.884 68.868 0.127 0.000 0.866 249 T HN 0.860 nan 8.240 nan 0.000 0.444 250 Q N 0.656 120.491 119.800 0.059 0.000 2.061 250 Q HA -0.110 4.230 4.340 -0.001 0.000 0.204 250 Q C 2.632 178.624 176.000 -0.014 0.000 0.984 250 Q CA 2.021 57.840 55.803 0.027 0.000 0.846 250 Q CB -1.323 27.443 28.738 0.047 0.000 0.902 250 Q HN 0.528 nan 8.270 nan 0.000 0.421 251 V N 0.407 120.328 119.914 0.011 0.000 2.379 251 V HA -0.066 4.054 4.120 -0.001 0.000 0.245 251 V C 2.730 178.632 176.094 -0.320 0.000 1.044 251 V CA 1.577 63.837 62.300 -0.067 0.000 1.036 251 V CB -1.040 30.842 31.823 0.099 0.000 0.664 251 V HN 0.719 nan 8.190 nan 0.000 0.453 252 G N -0.109 108.510 108.800 -0.302 0.000 2.469 252 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.220 252 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.220 252 G C 1.622 176.345 174.900 -0.296 0.000 1.136 252 G CA 1.259 46.074 45.100 -0.473 0.000 0.759 252 G HN 0.511 nan 8.290 nan 0.000 0.562 253 K N -0.302 119.991 120.400 -0.179 0.000 2.032 253 K HA -0.150 4.170 4.320 -0.001 0.000 0.209 253 K C 2.582 179.083 176.600 -0.165 0.000 1.048 253 K CA 1.424 57.617 56.287 -0.156 0.000 0.927 253 K CB -0.109 32.313 32.500 -0.131 0.000 0.712 253 K HN 0.181 nan 8.250 nan 0.000 0.441 254 Q N 0.362 120.058 119.800 -0.173 0.000 2.079 254 Q HA -0.094 4.246 4.340 -0.001 0.000 0.200 254 Q C 2.302 178.190 176.000 -0.187 0.000 0.974 254 Q CA 1.132 56.842 55.803 -0.155 0.000 0.840 254 Q CB -0.398 28.263 28.738 -0.129 0.000 0.898 254 Q HN 0.200 nan 8.270 nan 0.000 0.430 255 V N 0.813 120.553 119.914 -0.289 0.000 2.287 255 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 255 V C 2.332 178.309 176.094 -0.194 0.000 1.053 255 V CA 2.063 64.189 62.300 -0.291 0.000 1.027 255 V CB -1.285 30.203 31.823 -0.558 0.000 0.646 255 V HN 0.461 nan 8.190 nan 0.000 0.447 256 G N -0.481 108.203 108.800 -0.193 0.000 2.418 256 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.217 256 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.217 256 G C 1.598 176.428 174.900 -0.116 0.000 1.158 256 G CA 0.975 45.998 45.100 -0.128 0.000 0.771 256 G HN 0.468 nan 8.290 nan 0.000 0.545 257 L N -0.296 120.853 121.223 -0.123 0.000 2.056 257 L HA -0.001 4.338 4.340 -0.001 0.000 0.207 257 L C 3.107 179.908 176.870 -0.115 0.000 1.078 257 L CA 0.911 55.681 54.840 -0.115 0.000 0.749 257 L CB -0.306 41.690 42.059 -0.105 0.000 0.901 257 L HN 0.219 nan 8.230 nan 0.000 0.433 258 M N -1.026 118.509 119.600 -0.107 0.000 2.080 258 M HA -0.206 4.274 4.480 -0.001 0.000 0.260 258 M C 2.299 178.547 176.300 -0.087 0.000 1.068 258 M CA 1.492 56.738 55.300 -0.091 0.000 1.109 258 M CB -0.430 32.121 32.600 -0.080 0.000 1.342 258 M HN 0.074 nan 8.290 nan 0.000 0.405 259 V N 0.078 119.943 119.914 -0.081 0.000 2.343 259 V HA -0.276 3.843 4.120 -0.001 0.000 0.247 259 V C 2.331 178.368 176.094 -0.094 0.000 1.051 259 V CA 2.094 64.357 62.300 -0.061 0.000 1.036 259 V CB -0.797 31.003 31.823 -0.038 0.000 0.654 259 V HN 0.468 nan 8.190 nan 0.000 0.451 260 Q N 0.771 120.492 119.800 -0.132 0.000 2.096 260 Q HA -0.260 4.080 4.340 -0.001 0.000 0.204 260 Q C 2.060 177.837 176.000 -0.371 0.000 0.982 260 Q CA 2.258 57.931 55.803 -0.216 0.000 0.850 260 Q CB -0.448 28.181 28.738 -0.180 0.000 0.901 260 Q HN 0.666 nan 8.270 nan 0.000 0.422 261 E N 0.602 120.644 120.200 -0.265 0.000 2.130 261 E HA -0.229 4.121 4.350 -0.001 0.000 0.196 261 E C 1.236 177.677 176.600 -0.264 0.000 0.998 261 E CA 1.904 58.146 56.400 -0.264 0.000 0.806 261 E CB -0.156 29.456 29.700 -0.147 0.000 0.738 261 E HN 0.600 nan 8.360 nan 0.000 0.459 262 R N -1.331 119.069 120.500 -0.167 0.000 2.427 262 R HA 0.198 4.538 4.340 -0.001 0.000 0.262 262 R C -0.223 176.129 176.300 0.088 0.000 0.943 262 R CA 0.112 56.194 56.100 -0.030 0.000 1.081 262 R CB -0.452 29.851 30.300 0.004 0.000 1.166 262 R HN -0.047 nan 8.270 nan 0.000 0.534 263 F N 0.720 120.663 119.950 -0.012 0.000 3.074 263 F HA -0.222 4.305 4.527 -0.000 0.000 0.287 263 F C 0.926 176.719 175.800 -0.012 0.000 0.932 263 F CA 0.927 58.919 58.000 -0.013 0.000 0.995 263 F CB -1.609 37.383 39.000 -0.013 0.000 0.966 263 F HN 0.413 nan 8.300 nan 0.000 0.721 264 G N 0.061 108.921 108.800 0.100 0.000 2.532 264 G HA2 0.715 4.675 3.960 -0.001 0.000 0.291 264 G HA3 0.715 4.675 3.960 -0.001 0.000 0.291 264 G C -0.220 174.713 174.900 0.054 0.000 1.349 264 G CA -1.042 44.099 45.100 0.068 0.000 1.038 264 G HN 0.235 nan 8.290 nan 0.000 0.518 265 R N -0.639 119.882 120.500 0.035 0.000 2.589 265 R HA 0.566 4.905 4.340 -0.001 0.000 0.293 265 R C -0.421 175.883 176.300 0.007 0.000 0.963 265 R CA -0.473 55.638 56.100 0.019 0.000 0.905 265 R CB 1.955 32.262 30.300 0.011 0.000 1.144 265 R HN 0.640 nan 8.270 nan 0.000 0.459 266 S N 2.137 117.834 115.700 -0.004 0.000 2.566 266 S HA 0.578 5.048 4.470 -0.001 0.000 0.298 266 S C -0.783 173.809 174.600 -0.013 0.000 1.083 266 S CA -0.969 57.232 58.200 0.002 0.000 0.978 266 S CB 1.570 64.769 63.200 -0.002 0.000 1.073 266 S HN 0.551 nan 8.310 nan 0.000 0.491 267 L N 2.856 124.082 121.223 0.006 0.000 2.377 267 L HA 0.565 4.905 4.340 -0.001 0.000 0.270 267 L C -1.800 175.117 176.870 0.079 0.000 0.991 267 L CA -0.847 53.990 54.840 -0.006 0.000 0.851 267 L CB 0.688 42.698 42.059 -0.082 0.000 1.218 267 L HN 0.732 nan 8.230 nan 0.000 0.420 268 L N 4.796 126.066 121.223 0.078 0.000 2.296 268 L HA 0.529 4.869 4.340 -0.001 0.000 0.286 268 L C -0.315 176.634 176.870 0.131 0.000 1.023 268 L CA -0.533 54.394 54.840 0.144 0.000 0.812 268 L CB 1.585 43.701 42.059 0.094 0.000 1.223 268 L HN 0.519 nan 8.230 nan 0.000 0.421 269 E N 5.645 125.953 120.200 0.180 0.000 2.437 269 E HA 0.443 4.792 4.350 -0.001 0.000 0.238 269 E C -0.634 176.060 176.600 0.157 0.000 0.969 269 E CA -0.138 56.351 56.400 0.148 0.000 0.759 269 E CB 1.876 31.683 29.700 0.179 0.000 1.283 269 E HN 0.527 nan 8.360 nan 0.000 0.416 270 L N -0.314 120.995 121.223 0.142 0.000 2.755 270 L HA 0.640 4.979 4.340 -0.001 0.000 0.243 270 L C 1.209 178.155 176.870 0.127 0.000 1.579 270 L CA -1.211 53.721 54.840 0.153 0.000 1.669 270 L CB 0.066 42.219 42.059 0.157 0.000 2.294 270 L HN 0.331 nan 8.230 nan 0.000 0.588 271 G N -1.259 107.618 108.800 0.128 0.000 2.634 271 G HA2 0.489 4.448 3.960 -0.001 0.000 0.255 271 G HA3 0.489 4.448 3.960 -0.001 0.000 0.255 271 G C -0.516 174.474 174.900 0.150 0.000 1.205 271 G CA 0.132 45.315 45.100 0.139 0.000 0.884 271 G HN 0.704 nan 8.290 nan 0.000 0.549 272 G N -0.992 107.922 108.800 0.191 0.000 2.605 272 G HA2 0.442 4.402 3.960 -0.001 0.000 0.296 272 G HA3 0.442 4.402 3.960 -0.001 0.000 0.296 272 G C -0.961 174.052 174.900 0.188 0.000 1.304 272 G CA -0.590 44.613 45.100 0.171 0.000 0.941 272 G HN 0.622 nan 8.290 nan 0.000 0.475 273 N N 0.489 119.283 118.700 0.158 0.000 2.711 273 N HA 0.088 4.827 4.740 -0.001 0.000 0.263 273 N C -0.899 174.723 175.510 0.187 0.000 1.667 273 N CA -0.541 52.614 53.050 0.175 0.000 0.785 273 N CB 0.174 38.740 38.487 0.131 0.000 1.231 273 N HN 0.449 nan 8.380 nan 0.000 0.503 274 N N 0.551 119.370 118.700 0.199 0.000 2.514 274 N HA 0.381 5.121 4.740 -0.001 0.000 0.277 274 N C -0.393 175.273 175.510 0.261 0.000 1.126 274 N CA -0.153 53.020 53.050 0.206 0.000 0.978 274 N CB 1.845 40.444 38.487 0.185 0.000 1.106 274 N HN 0.371 nan 8.380 nan 0.000 0.461 275 A N 2.542 125.548 122.820 0.309 0.000 2.324 275 A HA 0.639 4.958 4.320 -0.001 0.000 0.330 275 A C 0.048 177.858 177.584 0.376 0.000 1.165 275 A CA -0.682 51.602 52.037 0.411 0.000 0.813 275 A CB 0.625 19.959 19.000 0.555 0.000 1.197 275 A HN 0.666 nan 8.150 nan 0.000 0.484 276 I N 2.147 122.940 120.570 0.372 0.000 2.412 276 I HA 0.400 4.570 4.170 -0.001 0.000 0.296 276 I C -0.744 175.594 176.117 0.368 0.000 0.987 276 I CA -0.343 61.169 61.300 0.353 0.000 1.180 276 I CB 1.637 39.810 38.000 0.288 0.000 1.340 276 I HN 0.482 nan 8.210 nan 0.000 0.455 277 I N 5.222 125.963 120.570 0.284 0.000 2.418 277 I HA 0.491 4.661 4.170 -0.001 0.000 0.287 277 I C -0.133 176.125 176.117 0.234 0.000 1.008 277 I CA -0.517 60.890 61.300 0.178 0.000 1.104 277 I CB 1.952 39.871 38.000 -0.135 0.000 1.264 277 I HN 0.574 nan 8.210 nan 0.000 0.438 278 A N 6.853 129.828 122.820 0.258 0.000 2.256 278 A HA 0.714 5.033 4.320 -0.001 0.000 0.317 278 A C -0.748 176.997 177.584 0.268 0.000 1.318 278 A CA -0.305 51.896 52.037 0.274 0.000 0.894 278 A CB 0.136 19.222 19.000 0.144 0.000 1.165 278 A HN 0.534 nan 8.150 nan 0.000 0.525 279 F N 0.396 120.542 119.950 0.326 0.000 2.375 279 F HA 0.235 4.762 4.527 -0.000 0.000 0.313 279 F C 1.782 177.623 175.800 0.068 0.000 1.176 279 F CA 0.203 58.358 58.000 0.259 0.000 1.142 279 F CB 0.904 40.002 39.000 0.163 0.000 1.275 279 F HN 0.815 nan 8.300 nan 0.000 0.544 280 E N 0.494 120.721 120.200 0.045 0.000 2.204 280 E HA -0.231 4.119 4.350 -0.001 0.000 0.195 280 E C 1.164 177.778 176.600 0.023 0.000 0.990 280 E CA 1.489 57.839 56.400 -0.083 0.000 0.821 280 E CB -0.101 29.383 29.700 -0.361 0.000 0.750 280 E HN 0.686 nan 8.360 nan 0.000 0.477 281 D N 0.045 120.487 120.400 0.071 0.000 2.328 281 D HA 0.050 4.690 4.640 -0.001 0.000 0.226 281 D C 0.189 176.550 176.300 0.102 0.000 1.066 281 D CA 0.130 54.168 54.000 0.064 0.000 0.861 281 D CB -0.136 40.686 40.800 0.037 0.000 0.912 281 D HN 0.162 nan 8.370 nan 0.000 0.521 282 A N 0.679 123.591 122.820 0.154 0.000 2.483 282 A HA 0.119 4.439 4.320 -0.001 0.000 0.238 282 A C 0.226 177.889 177.584 0.130 0.000 1.070 282 A CA -0.234 51.915 52.037 0.188 0.000 0.770 282 A CB 0.184 19.329 19.000 0.242 0.000 1.008 282 A HN 0.125 nan 8.150 nan 0.000 0.497 283 D N 2.170 122.657 120.400 0.146 0.000 2.344 283 D HA 0.166 4.805 4.640 -0.001 0.000 0.253 283 D C 0.994 177.343 176.300 0.081 0.000 1.255 283 D CA 0.044 54.107 54.000 0.106 0.000 0.894 283 D CB 0.189 41.057 40.800 0.114 0.000 1.067 283 D HN 0.434 nan 8.370 nan 0.000 0.492 284 L N 2.846 124.095 121.223 0.043 0.000 2.217 284 L HA -0.138 4.201 4.340 -0.001 0.000 0.211 284 L C 2.364 179.232 176.870 -0.004 0.000 1.107 284 L CA 0.898 55.741 54.840 0.005 0.000 0.783 284 L CB -0.527 41.533 42.059 0.002 0.000 0.919 284 L HN 0.399 nan 8.230 nan 0.000 0.442 285 S N -0.022 115.688 115.700 0.017 0.000 2.474 285 S HA -0.145 4.325 4.470 -0.001 0.000 0.235 285 S C 1.775 176.392 174.600 0.028 0.000 0.997 285 S CA 0.709 58.920 58.200 0.017 0.000 0.949 285 S CB -0.194 63.020 63.200 0.024 0.000 0.766 285 S HN 0.338 nan 8.310 nan 0.000 0.517 286 L N 1.136 122.389 121.223 0.051 0.000 2.200 286 L HA 0.341 4.680 4.340 -0.001 0.000 0.200 286 L C 2.388 179.253 176.870 -0.008 0.000 1.072 286 L CA 1.006 55.903 54.840 0.095 0.000 0.787 286 L CB -0.712 41.472 42.059 0.209 0.000 0.957 286 L HN 0.158 nan 8.230 nan 0.000 0.459 287 V N -0.641 119.175 119.914 -0.163 0.000 2.287 287 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 287 V C 2.503 178.426 176.094 -0.284 0.000 1.053 287 V CA 1.896 63.888 62.300 -0.513 0.000 1.027 287 V CB -0.670 30.925 31.823 -0.381 0.000 0.646 287 V HN 0.321 nan 8.190 nan 0.000 0.447 288 V N 0.805 120.640 119.914 -0.132 0.000 2.237 288 V HA -0.134 3.986 4.120 -0.001 0.000 0.245 288 V C 0.265 176.344 176.094 -0.024 0.000 1.046 288 V CA 2.574 64.830 62.300 -0.074 0.000 1.007 288 V CB -1.971 29.823 31.823 -0.048 0.000 0.638 288 V HN 0.540 nan 8.190 nan 0.000 0.445 289 P HA -0.067 nan 4.420 nan 0.000 0.220 289 P C 1.798 179.153 177.300 0.093 0.000 1.148 289 P CA 1.447 64.573 63.100 0.043 0.000 0.803 289 P CB -0.037 31.683 31.700 0.034 0.000 0.782 290 S N 0.200 115.943 115.700 0.071 0.000 2.368 290 S HA -0.038 4.432 4.470 -0.001 0.000 0.224 290 S C 2.196 176.889 174.600 0.156 0.000 1.029 290 S CA 1.259 59.560 58.200 0.168 0.000 0.988 290 S CB -0.927 62.411 63.200 0.230 0.000 0.838 290 S HN 0.184 nan 8.310 nan 0.000 0.462 291 A N 1.630 124.463 122.820 0.021 0.000 1.873 291 A HA -0.032 4.288 4.320 -0.001 0.000 0.215 291 A C 2.110 179.754 177.584 0.101 0.000 1.186 291 A CA 1.365 53.427 52.037 0.042 0.000 0.616 291 A CB -0.864 18.115 19.000 -0.036 0.000 0.823 291 A HN 0.399 nan 8.150 nan 0.000 0.442 292 L N -1.280 120.010 121.223 0.110 0.000 1.978 292 L HA -0.216 4.123 4.340 -0.001 0.000 0.218 292 L C 2.242 179.156 176.870 0.074 0.000 1.075 292 L CA 2.788 57.689 54.840 0.101 0.000 0.767 292 L CB -0.836 41.270 42.059 0.079 0.000 0.890 292 L HN 0.442 nan 8.230 nan 0.000 0.434 293 F N 0.199 120.157 119.950 0.013 0.000 2.102 293 F HA -0.147 4.379 4.527 -0.001 0.000 0.298 293 F C 2.274 178.104 175.800 0.050 0.000 1.105 293 F CA 1.649 59.665 58.000 0.027 0.000 1.239 293 F CB -0.799 38.231 39.000 0.050 0.000 0.991 293 F HN 0.169 nan 8.300 nan 0.000 0.474 294 A N 0.049 122.886 122.820 0.028 0.000 1.969 294 A HA 0.045 4.364 4.320 -0.001 0.000 0.218 294 A C 2.327 179.867 177.584 -0.074 0.000 1.169 294 A CA 1.609 53.623 52.037 -0.040 0.000 0.635 294 A CB -1.400 17.688 19.000 0.146 0.000 0.810 294 A HN 0.498 nan 8.150 nan 0.000 0.445 295 A N -1.180 121.625 122.820 -0.026 0.000 1.935 295 A HA 0.240 4.560 4.320 -0.001 0.000 0.214 295 A C 1.827 179.368 177.584 -0.070 0.000 1.178 295 A CA 1.619 53.651 52.037 -0.007 0.000 0.640 295 A CB -0.168 18.885 19.000 0.088 0.000 0.825 295 A HN 0.448 nan 8.150 nan 0.000 0.447 296 V N -0.630 119.203 119.914 -0.136 0.000 3.645 296 V HA 0.197 4.316 4.120 -0.001 0.000 0.275 296 V C 1.453 177.486 176.094 -0.101 0.000 1.356 296 V CA 0.175 62.402 62.300 -0.122 0.000 1.051 296 V CB -0.212 31.427 31.823 -0.307 0.000 0.828 296 V HN 0.494 nan 8.190 nan 0.000 0.441 297 G N 0.403 109.047 108.800 -0.260 0.000 2.414 297 G HA2 0.290 4.250 3.960 -0.001 0.000 0.236 297 G HA3 0.290 4.250 3.960 -0.001 0.000 0.236 297 G C 0.773 175.526 174.900 -0.246 0.000 1.293 297 G CA 0.994 45.892 45.100 -0.337 0.000 0.869 297 G HN 0.454 nan 8.290 nan 0.000 0.556 298 T N -0.062 114.380 114.554 -0.186 0.000 4.040 298 T HA -0.151 4.199 4.350 -0.001 0.000 0.341 298 T C 1.432 175.988 174.700 -0.241 0.000 0.758 298 T CA 1.610 63.588 62.100 -0.204 0.000 1.893 298 T CB -1.939 66.797 68.868 -0.220 0.000 1.886 298 T HN 2.608 nan 8.240 nan 0.000 0.833 299 A N -1.100 121.559 122.820 -0.268 0.000 2.783 299 A HA 0.163 4.482 4.320 -0.001 0.000 0.292 299 A C 2.202 179.682 177.584 -0.173 0.000 1.495 299 A CA 1.504 53.351 52.037 -0.316 0.000 0.787 299 A CB -2.007 16.633 19.000 -0.601 0.000 1.017 299 A HN 2.681 nan 8.150 nan 0.000 0.516 300 G N -2.243 106.461 108.800 -0.160 0.000 2.153 300 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.252 300 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.252 300 G C 0.194 174.857 174.900 -0.395 0.000 0.994 300 G CA 0.920 45.908 45.100 -0.186 0.000 0.698 300 G HN 1.404 nan 8.290 nan 0.000 0.521 301 Q N -0.490 119.049 119.800 -0.435 0.000 2.206 301 Q HA 0.252 4.591 4.340 -0.001 0.000 0.265 301 Q C 0.891 176.627 176.000 -0.439 0.000 0.866 301 Q CA -0.323 55.046 55.803 -0.724 0.000 1.073 301 Q CB 0.669 29.280 28.738 -0.212 0.000 1.165 301 Q HN 0.532 nan 8.270 nan 0.000 0.465 302 R N -0.019 120.335 120.500 -0.243 0.000 2.457 302 R HA 0.171 4.511 4.340 -0.001 0.000 0.284 302 R C 1.299 177.766 176.300 0.279 0.000 1.024 302 R CA -0.257 55.940 56.100 0.162 0.000 1.025 302 R CB 0.798 31.233 30.300 0.224 0.000 1.063 302 R HN 0.353 nan 8.270 nan 0.000 0.493 303 C N -1.054 118.549 119.300 0.505 0.000 2.411 303 C HA -0.098 4.362 4.460 -0.001 0.000 0.279 303 C C 2.094 177.279 174.990 0.325 0.000 1.288 303 C CA 0.843 60.138 59.018 0.461 0.000 1.764 303 C CB -1.373 26.598 27.740 0.385 0.000 1.974 303 C HN 0.893 nan 8.230 nan 0.000 0.498 304 T N -2.298 112.432 114.554 0.293 0.000 3.144 304 T HA 0.116 4.466 4.350 -0.001 0.000 0.249 304 T C 0.436 175.237 174.700 0.168 0.000 1.089 304 T CA 0.213 62.452 62.100 0.232 0.000 0.989 304 T CB -0.791 68.236 68.868 0.264 0.000 0.992 304 T HN 0.514 nan 8.240 nan 0.000 0.540 305 T N 3.408 118.034 114.554 0.121 0.000 2.934 305 T HA 0.421 4.771 4.350 -0.001 0.000 0.306 305 T C 0.607 175.365 174.700 0.096 0.000 1.042 305 T CA -0.072 62.055 62.100 0.046 0.000 1.145 305 T CB 0.309 69.149 68.868 -0.047 0.000 0.982 305 T HN 0.581 nan 8.240 nan 0.000 0.544 306 A N 3.747 126.622 122.820 0.092 0.000 2.451 306 A HA 0.297 4.617 4.320 -0.001 0.000 0.266 306 A C 1.159 178.816 177.584 0.122 0.000 1.119 306 A CA -0.295 51.824 52.037 0.136 0.000 0.786 306 A CB 0.181 19.264 19.000 0.139 0.000 1.061 306 A HN 0.954 nan 8.150 nan 0.000 0.503 307 R N 1.177 121.779 120.500 0.171 0.000 2.394 307 R HA 0.132 4.472 4.340 -0.001 0.000 0.220 307 R C -0.140 176.314 176.300 0.257 0.000 0.887 307 R CA 0.259 56.471 56.100 0.187 0.000 1.034 307 R CB 0.601 31.048 30.300 0.245 0.000 1.179 307 R HN 0.713 nan 8.270 nan 0.000 0.561 308 R N 1.078 121.743 120.500 0.274 0.000 2.561 308 R HA 0.385 4.724 4.340 -0.001 0.000 0.297 308 R C -1.601 174.816 176.300 0.196 0.000 0.969 308 R CA -0.846 55.430 56.100 0.294 0.000 0.879 308 R CB 2.292 32.848 30.300 0.426 0.000 1.178 308 R HN -0.154 nan 8.270 nan 0.000 0.445 309 L N 3.826 125.072 121.223 0.039 0.000 2.372 309 L HA 0.499 4.839 4.340 -0.001 0.000 0.273 309 L C -1.674 175.227 176.870 0.053 0.000 0.989 309 L CA -0.330 54.558 54.840 0.082 0.000 0.841 309 L CB 0.879 42.946 42.059 0.014 0.000 1.225 309 L HN 0.460 nan 8.230 nan 0.000 0.414 310 F N 5.997 126.152 119.950 0.342 0.000 2.410 310 F HA 0.594 5.121 4.527 -0.001 0.000 0.349 310 F C 0.147 176.209 175.800 0.436 0.000 1.117 310 F CA -0.316 57.948 58.000 0.441 0.000 1.104 310 F CB 1.075 40.250 39.000 0.291 0.000 1.122 310 F HN 0.254 nan 8.300 nan 0.000 0.483 311 I N 2.884 123.818 120.570 0.606 0.000 2.465 311 I HA 0.214 4.383 4.170 -0.001 0.000 0.291 311 I C 0.055 176.233 176.117 0.101 0.000 1.014 311 I CA -0.911 60.613 61.300 0.372 0.000 1.093 311 I CB 1.479 39.590 38.000 0.186 0.000 1.267 311 I HN 0.565 nan 8.210 nan 0.000 0.431 312 H N 5.762 124.600 119.070 -0.387 0.000 3.038 312 H HA -0.013 4.543 4.556 -0.001 0.000 0.338 312 H C 0.726 175.863 175.328 -0.317 0.000 1.041 312 H CA 0.981 56.514 56.048 -0.858 0.000 1.394 312 H CB 1.054 30.459 29.762 -0.595 0.000 1.357 312 H HN 0.733 nan 8.280 nan 0.000 0.600 313 E N 2.016 121.702 120.200 -0.857 0.000 2.147 313 E HA -0.237 4.113 4.350 -0.001 0.000 0.199 313 E C 2.142 178.647 176.600 -0.158 0.000 1.005 313 E CA 1.863 58.014 56.400 -0.414 0.000 0.810 313 E CB 0.105 29.542 29.700 -0.439 0.000 0.736 313 E HN 0.728 nan 8.360 nan 0.000 0.460 314 S N 0.806 116.485 115.700 -0.035 0.000 2.419 314 S HA -0.159 4.311 4.470 -0.001 0.000 0.233 314 S C 1.953 176.608 174.600 0.091 0.000 1.016 314 S CA 1.392 59.663 58.200 0.119 0.000 0.974 314 S CB -0.497 62.858 63.200 0.258 0.000 0.786 314 S HN 0.485 nan 8.310 nan 0.000 0.492 315 I N -2.877 117.753 120.570 0.101 0.000 4.240 315 I HA 0.354 4.524 4.170 -0.001 0.000 0.331 315 I C 2.042 178.199 176.117 0.067 0.000 1.381 315 I CA -0.355 60.989 61.300 0.073 0.000 1.136 315 I CB -0.439 37.602 38.000 0.068 0.000 1.137 315 I HN 0.113 nan 8.210 nan 0.000 0.411 316 H N 2.986 122.043 119.070 -0.021 0.000 2.265 316 H HA -0.212 4.344 4.556 -0.001 0.000 0.295 316 H C 1.128 176.439 175.328 -0.029 0.000 1.084 316 H CA 2.778 58.811 56.048 -0.024 0.000 1.261 316 H CB 0.067 29.808 29.762 -0.035 0.000 1.360 316 H HN 0.349 nan 8.280 nan 0.000 0.487 317 D N 0.247 120.730 120.400 0.138 0.000 2.144 317 D HA -0.149 4.490 4.640 -0.001 0.000 0.199 317 D C 2.242 178.516 176.300 -0.043 0.000 0.984 317 D CA 1.228 55.258 54.000 0.049 0.000 0.834 317 D CB -0.398 40.456 40.800 0.090 0.000 0.955 317 D HN 0.656 nan 8.370 nan 0.000 0.465 318 E N 0.672 120.858 120.200 -0.024 0.000 2.051 318 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 318 E C 2.035 178.594 176.600 -0.068 0.000 0.991 318 E CA 0.889 57.268 56.400 -0.034 0.000 0.799 318 E CB 0.110 29.803 29.700 -0.011 0.000 0.748 318 E HN 0.000 nan 8.360 nan 0.000 0.449 319 V N 0.874 120.735 119.914 -0.088 0.000 2.287 319 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 319 V C 2.511 178.503 176.094 -0.170 0.000 1.053 319 V CA 1.589 63.818 62.300 -0.118 0.000 1.027 319 V CB -0.387 31.369 31.823 -0.112 0.000 0.646 319 V HN 0.233 nan 8.190 nan 0.000 0.447 320 V N 0.627 120.392 119.914 -0.248 0.000 2.343 320 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 320 V C 2.340 178.325 176.094 -0.182 0.000 1.051 320 V CA 2.154 64.294 62.300 -0.267 0.000 1.036 320 V CB -0.895 30.722 31.823 -0.342 0.000 0.654 320 V HN 0.567 nan 8.190 nan 0.000 0.451 321 N N 0.349 118.972 118.700 -0.127 0.000 2.120 321 N HA -0.140 4.599 4.740 -0.001 0.000 0.188 321 N C 2.002 177.463 175.510 -0.082 0.000 1.024 321 N CA 1.382 54.382 53.050 -0.083 0.000 0.852 321 N CB -0.341 38.115 38.487 -0.051 0.000 1.003 321 N HN 0.483 nan 8.380 nan 0.000 0.424 322 R N 0.378 120.828 120.500 -0.082 0.000 2.092 322 R HA 0.096 4.436 4.340 -0.001 0.000 0.231 322 R C 2.268 178.519 176.300 -0.083 0.000 1.119 322 R CA 0.535 56.595 56.100 -0.067 0.000 0.970 322 R CB -0.248 30.020 30.300 -0.054 0.000 0.864 322 R HN 0.184 nan 8.270 nan 0.000 0.440 323 L N 0.760 121.906 121.223 -0.129 0.000 2.056 323 L HA -0.172 4.168 4.340 -0.001 0.000 0.207 323 L C 2.173 178.890 176.870 -0.256 0.000 1.078 323 L CA 1.419 56.161 54.840 -0.163 0.000 0.749 323 L CB -0.214 41.696 42.059 -0.248 0.000 0.901 323 L HN 0.146 nan 8.230 nan 0.000 0.433 324 K N -0.068 120.172 120.400 -0.267 0.000 2.057 324 K HA -0.240 4.080 4.320 -0.001 0.000 0.207 324 K C 2.126 178.628 176.600 -0.163 0.000 1.049 324 K CA 1.243 57.371 56.287 -0.264 0.000 0.931 324 K CB -0.132 32.319 32.500 -0.082 0.000 0.714 324 K HN 0.196 nan 8.250 nan 0.000 0.440 325 K N 1.129 121.480 120.400 -0.081 0.000 2.026 325 K HA -0.138 4.181 4.320 -0.001 0.000 0.208 325 K C 2.162 178.739 176.600 -0.040 0.000 1.048 325 K CA 1.313 57.579 56.287 -0.035 0.000 0.929 325 K CB -0.112 32.374 32.500 -0.024 0.000 0.713 325 K HN 0.103 nan 8.250 nan 0.000 0.439 326 A N 0.497 123.295 122.820 -0.036 0.000 1.902 326 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 326 A C 1.956 179.526 177.584 -0.022 0.000 1.181 326 A CA 1.335 53.367 52.037 -0.007 0.000 0.623 326 A CB -0.877 18.140 19.000 0.028 0.000 0.818 326 A HN 0.420 nan 8.150 nan 0.000 0.443 327 Y N -0.077 120.003 120.300 -0.367 0.000 2.224 327 Y HA -0.109 4.441 4.550 -0.000 0.000 0.289 327 Y C 2.891 178.511 175.900 -0.467 0.000 1.146 327 Y CA 0.466 58.221 58.100 -0.574 0.000 1.182 327 Y CB -0.852 36.918 38.460 -1.150 0.000 0.983 327 Y HN 0.332 nan 8.280 nan 0.000 0.524 328 A N -0.593 122.127 122.820 -0.168 0.000 2.070 328 A HA -0.158 4.162 4.320 -0.001 0.000 0.220 328 A C 1.874 179.473 177.584 0.025 0.000 1.159 328 A CA 1.285 53.367 52.037 0.075 0.000 0.656 328 A CB -0.312 18.781 19.000 0.155 0.000 0.800 328 A HN 0.353 nan 8.150 nan 0.000 0.453 329 Q N -0.547 119.239 119.800 -0.024 0.000 2.319 329 Q HA 0.262 4.602 4.340 -0.001 0.000 0.202 329 Q C -0.024 175.950 176.000 -0.043 0.000 0.896 329 Q CA -0.023 55.766 55.803 -0.022 0.000 0.942 329 Q CB 0.000 28.728 28.738 -0.017 0.000 1.083 329 Q HN 0.694 nan 8.270 nan 0.000 0.510 330 I N 3.023 123.540 120.570 -0.088 0.000 2.668 330 I HA -0.066 4.103 4.170 -0.001 0.000 0.285 330 I C 0.361 176.445 176.117 -0.055 0.000 1.168 330 I CA 0.157 61.392 61.300 -0.108 0.000 1.424 330 I CB 0.327 38.176 38.000 -0.252 0.000 1.377 330 I HN -0.287 nan 8.210 nan 0.000 0.560 331 R N 6.415 126.906 120.500 -0.014 0.000 2.202 331 R HA 0.412 4.751 4.340 -0.001 0.000 0.334 331 R C -0.743 175.586 176.300 0.049 0.000 1.036 331 R CA -0.630 55.474 56.100 0.006 0.000 0.878 331 R CB 0.439 30.742 30.300 0.005 0.000 1.067 331 R HN 0.305 nan 8.270 nan 0.000 0.457 332 V N 1.991 121.931 119.914 0.043 0.000 2.532 332 V HA 0.867 4.986 4.120 -0.001 0.000 0.295 332 V C 0.935 177.026 176.094 -0.004 0.000 1.041 332 V CA -0.132 62.232 62.300 0.107 0.000 0.926 332 V CB 1.566 33.446 31.823 0.095 0.000 0.992 332 V HN 0.989 nan 8.190 nan 0.000 0.457 333 G N 3.326 112.134 108.800 0.014 0.000 2.367 333 G HA2 0.086 4.046 3.960 -0.001 0.000 0.272 333 G HA3 0.086 4.046 3.960 -0.001 0.000 0.272 333 G C -1.296 173.539 174.900 -0.108 0.000 1.271 333 G CA -0.943 44.085 45.100 -0.121 0.000 0.893 333 G HN 0.484 nan 8.290 nan 0.000 0.485 334 N N 2.190 120.696 118.700 -0.323 0.000 2.454 334 N HA 0.244 4.984 4.740 -0.001 0.000 0.260 334 N C -1.420 173.697 175.510 -0.654 0.000 1.218 334 N CA -0.984 51.612 53.050 -0.757 0.000 0.904 334 N CB 1.697 39.365 38.487 -1.365 0.000 1.065 334 N HN 0.199 nan 8.380 nan 0.000 0.462 335 P HA -0.043 nan 4.420 nan 0.000 0.237 335 P C 0.638 177.927 177.300 -0.018 0.000 1.178 335 P CA 0.781 63.778 63.100 -0.171 0.000 0.766 335 P CB -0.090 31.584 31.700 -0.043 0.000 0.876 336 W N -0.831 120.505 121.300 0.060 0.000 3.139 336 W HA 0.277 4.936 4.660 -0.001 0.000 0.260 336 W C 0.200 176.727 176.519 0.012 0.000 1.312 336 W CA -0.434 56.928 57.345 0.028 0.000 1.606 336 W CB -1.065 28.423 29.460 0.048 0.000 1.118 336 W HN -0.196 nan 8.180 nan 0.000 0.675 337 D N 3.573 123.887 120.400 -0.143 0.000 2.371 337 D HA -0.000 4.640 4.640 -0.001 0.000 0.256 337 D C -0.954 175.337 176.300 -0.015 0.000 1.193 337 D CA -1.730 52.234 54.000 -0.058 0.000 0.881 337 D CB 1.631 42.349 40.800 -0.136 0.000 1.143 337 D HN -0.054 nan 8.370 nan 0.000 0.473 338 P HA -0.082 nan 4.420 nan 0.000 0.225 338 P C 0.516 177.820 177.300 0.006 0.000 1.148 338 P CA 0.661 63.769 63.100 0.014 0.000 0.779 338 P CB 0.469 32.178 31.700 0.015 0.000 0.780 339 N N -0.540 118.158 118.700 -0.002 0.000 2.280 339 N HA 0.059 4.799 4.740 -0.001 0.000 0.192 339 N C 0.128 175.637 175.510 -0.002 0.000 1.109 339 N CA 0.059 53.108 53.050 -0.001 0.000 0.855 339 N CB 0.733 39.217 38.487 -0.004 0.000 0.974 339 N HN 0.049 nan 8.380 nan 0.000 0.482 340 V N 1.857 121.764 119.914 -0.012 0.000 2.555 340 V HA 0.112 4.232 4.120 -0.001 0.000 0.286 340 V C 1.410 177.517 176.094 0.023 0.000 1.044 340 V CA 0.097 62.393 62.300 -0.005 0.000 1.026 340 V CB 1.686 33.481 31.823 -0.046 0.000 0.981 340 V HN 0.147 nan 8.190 nan 0.000 0.480 341 L N 4.552 125.807 121.223 0.054 0.000 2.731 341 L HA 0.338 4.677 4.340 -0.001 0.000 0.240 341 L C -0.338 176.610 176.870 0.131 0.000 1.120 341 L CA 0.252 55.139 54.840 0.079 0.000 0.913 341 L CB 0.316 42.417 42.059 0.071 0.000 1.213 341 L HN 0.655 nan 8.230 nan 0.000 0.515 342 Y N 0.222 120.508 120.300 -0.022 0.000 2.315 342 Y HA 0.585 5.135 4.550 -0.000 0.000 0.324 342 Y C 0.174 176.096 175.900 0.037 0.000 1.062 342 Y CA -0.909 57.177 58.100 -0.022 0.000 1.159 342 Y CB 1.228 39.664 38.460 -0.040 0.000 1.145 342 Y HN -0.080 nan 8.280 nan 0.000 0.442 343 G N 5.100 113.683 108.800 -0.360 0.000 2.702 343 G HA2 0.609 4.569 3.960 -0.001 0.000 0.254 343 G HA3 0.609 4.569 3.960 -0.001 0.000 0.254 343 G C -2.913 171.554 174.900 -0.722 0.000 1.380 343 G CA -1.753 43.166 45.100 -0.302 0.000 1.042 343 G HN 0.394 nan 8.290 nan 0.000 0.557 344 P HA 0.321 nan 4.420 nan 0.000 0.278 344 P C -0.024 176.943 177.300 -0.554 0.000 1.258 344 P CA -0.486 61.963 63.100 -1.085 0.000 0.811 344 P CB 1.329 32.399 31.700 -1.050 0.000 1.063 345 L N 0.914 121.884 121.223 -0.422 0.000 2.476 345 L HA 0.045 4.385 4.340 -0.001 0.000 0.264 345 L C 2.239 179.008 176.870 -0.169 0.000 1.224 345 L CA -0.138 54.566 54.840 -0.227 0.000 0.821 345 L CB -0.330 41.629 42.059 -0.167 0.000 1.101 345 L HN 0.576 nan 8.230 nan 0.000 0.488 346 H N 0.060 118.997 119.070 -0.222 0.000 2.428 346 H HA -0.036 4.520 4.556 -0.000 0.000 0.296 346 H C 0.537 175.699 175.328 -0.277 0.000 1.062 346 H CA 1.220 57.092 56.048 -0.294 0.000 1.350 346 H CB 0.281 29.664 29.762 -0.632 0.000 1.403 346 H HN 0.740 nan 8.280 nan 0.000 0.533 347 T N -3.729 110.638 114.554 -0.312 0.000 2.865 347 T HA 0.284 4.634 4.350 -0.001 0.000 0.294 347 T C 0.746 175.347 174.700 -0.165 0.000 1.119 347 T CA -0.862 61.065 62.100 -0.288 0.000 1.007 347 T CB 2.110 70.821 68.868 -0.262 0.000 1.225 347 T HN -0.009 nan 8.240 nan 0.000 0.515 348 K N 0.240 120.557 120.400 -0.139 0.000 2.148 348 K HA -0.047 4.273 4.320 -0.001 0.000 0.204 348 K C 2.239 178.814 176.600 -0.041 0.000 1.050 348 K CA 1.607 57.846 56.287 -0.081 0.000 0.942 348 K CB -0.523 31.928 32.500 -0.081 0.000 0.724 348 K HN 0.613 nan 8.250 nan 0.000 0.446 349 Q N 0.105 119.878 119.800 -0.046 0.000 2.135 349 Q HA -0.017 4.323 4.340 -0.001 0.000 0.204 349 Q C 1.757 177.778 176.000 0.035 0.000 0.981 349 Q CA 1.985 57.786 55.803 -0.004 0.000 0.856 349 Q CB -0.545 28.188 28.738 -0.008 0.000 0.902 349 Q HN 0.352 nan 8.270 nan 0.000 0.425 350 A N -0.739 122.094 122.820 0.021 0.000 1.933 350 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 350 A C 2.250 179.901 177.584 0.112 0.000 1.175 350 A CA 1.570 53.655 52.037 0.080 0.000 0.628 350 A CB -0.769 18.261 19.000 0.050 0.000 0.814 350 A HN 0.267 nan 8.150 nan 0.000 0.444 351 V N 0.002 119.951 119.914 0.058 0.000 2.343 351 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 351 V C 2.779 178.985 176.094 0.187 0.000 1.051 351 V CA 2.365 64.723 62.300 0.097 0.000 1.036 351 V CB -0.902 30.941 31.823 0.033 0.000 0.654 351 V HN 0.565 nan 8.190 nan 0.000 0.451 352 S N -0.472 115.299 115.700 0.119 0.000 2.368 352 S HA -0.173 4.297 4.470 -0.001 0.000 0.225 352 S C 1.983 176.661 174.600 0.129 0.000 1.030 352 S CA 1.534 59.800 58.200 0.110 0.000 0.999 352 S CB -0.321 62.918 63.200 0.064 0.000 0.844 352 S HN 0.379 nan 8.310 nan 0.000 0.459 353 M N 0.414 120.102 119.600 0.146 0.000 2.175 353 M HA 0.023 4.502 4.480 -0.001 0.000 0.264 353 M C 1.955 178.369 176.300 0.189 0.000 1.063 353 M CA 1.120 56.512 55.300 0.153 0.000 1.119 353 M CB -1.361 31.339 32.600 0.167 0.000 1.377 353 M HN 0.393 nan 8.290 nan 0.000 0.415 354 F N 1.297 121.298 119.950 0.085 0.000 2.069 354 F HA -0.265 4.262 4.527 -0.001 0.000 0.298 354 F C 2.105 177.949 175.800 0.073 0.000 1.113 354 F CA 1.549 59.599 58.000 0.083 0.000 1.214 354 F CB -0.533 38.511 39.000 0.073 0.000 0.978 354 F HN 0.053 nan 8.300 nan 0.000 0.474 355 L N 0.938 122.210 121.223 0.082 0.000 2.046 355 L HA 0.002 4.341 4.340 -0.001 0.000 0.208 355 L C 2.535 179.345 176.870 -0.100 0.000 1.077 355 L CA 2.159 56.956 54.840 -0.072 0.000 0.747 355 L CB -1.524 40.602 42.059 0.113 0.000 0.896 355 L HN 0.296 nan 8.230 nan 0.000 0.432 356 G N -1.534 107.254 108.800 -0.019 0.000 2.408 356 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 356 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 356 G C 1.593 176.481 174.900 -0.020 0.000 1.150 356 G CA 0.691 45.787 45.100 -0.006 0.000 0.776 356 G HN 0.587 nan 8.290 nan 0.000 0.542 357 A N 0.189 122.994 122.820 -0.025 0.000 1.898 357 A HA 0.123 4.442 4.320 -0.001 0.000 0.216 357 A C 2.587 180.144 177.584 -0.044 0.000 1.181 357 A CA 1.669 53.711 52.037 0.009 0.000 0.620 357 A CB -0.567 18.477 19.000 0.073 0.000 0.819 357 A HN 0.227 nan 8.150 nan 0.000 0.442 358 V N 0.404 120.190 119.914 -0.214 0.000 2.295 358 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 358 V C 2.523 178.554 176.094 -0.103 0.000 1.049 358 V CA 2.136 64.304 62.300 -0.221 0.000 1.024 358 V CB -0.684 30.881 31.823 -0.430 0.000 0.648 358 V HN 0.512 nan 8.190 nan 0.000 0.447 359 E N -0.207 119.939 120.200 -0.091 0.000 2.152 359 E HA -0.201 4.149 4.350 -0.001 0.000 0.192 359 E C 2.175 178.761 176.600 -0.024 0.000 0.983 359 E CA 0.982 57.353 56.400 -0.047 0.000 0.818 359 E CB -0.166 29.512 29.700 -0.037 0.000 0.758 359 E HN 0.636 nan 8.360 nan 0.000 0.467 360 E N 1.199 121.390 120.200 -0.014 0.000 2.110 360 E HA -0.091 4.259 4.350 -0.001 0.000 0.193 360 E C 1.854 178.456 176.600 0.003 0.000 0.988 360 E CA 1.278 57.677 56.400 -0.002 0.000 0.804 360 E CB -0.226 29.479 29.700 0.008 0.000 0.745 360 E HN 0.177 nan 8.360 nan 0.000 0.458 361 A N 0.742 123.578 122.820 0.025 0.000 1.902 361 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 361 A C 2.053 179.648 177.584 0.018 0.000 1.181 361 A CA 1.780 53.848 52.037 0.051 0.000 0.623 361 A CB -0.398 18.694 19.000 0.154 0.000 0.818 361 A HN 0.207 nan 8.150 nan 0.000 0.443 362 K N -0.138 120.263 120.400 0.002 0.000 2.057 362 K HA -0.113 4.207 4.320 -0.001 0.000 0.206 362 K C 2.004 178.597 176.600 -0.011 0.000 1.050 362 K CA 1.580 57.863 56.287 -0.008 0.000 0.935 362 K CB -0.173 32.317 32.500 -0.017 0.000 0.715 362 K HN 0.408 nan 8.250 nan 0.000 0.439 363 K N 1.069 121.461 120.400 -0.013 0.000 2.147 363 K HA -0.142 4.178 4.320 -0.001 0.000 0.205 363 K C 1.460 178.049 176.600 -0.019 0.000 1.049 363 K CA 1.185 57.462 56.287 -0.015 0.000 0.936 363 K CB 0.054 32.545 32.500 -0.014 0.000 0.722 363 K HN 0.234 nan 8.250 nan 0.000 0.446 364 E N -0.523 119.665 120.200 -0.021 0.000 2.502 364 E HA 0.019 4.369 4.350 -0.001 0.000 0.194 364 E C 0.649 177.232 176.600 -0.027 0.000 1.062 364 E CA 0.272 56.653 56.400 -0.031 0.000 0.867 364 E CB 0.477 30.151 29.700 -0.044 0.000 0.888 364 E HN 0.494 nan 8.360 nan 0.000 0.510 365 G N 0.980 109.769 108.800 -0.018 0.000 2.163 365 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.213 365 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.213 365 G C 0.467 175.363 174.900 -0.008 0.000 0.991 365 G CA -0.363 44.728 45.100 -0.015 0.000 0.653 365 G HN 0.458 nan 8.290 nan 0.000 0.518 366 G N -0.576 108.224 108.800 -0.000 0.000 2.507 366 G HA2 0.565 4.525 3.960 -0.001 0.000 0.271 366 G HA3 0.565 4.525 3.960 -0.001 0.000 0.271 366 G C -0.165 174.734 174.900 -0.001 0.000 1.189 366 G CA 0.585 45.691 45.100 0.009 0.000 0.859 366 G HN 0.566 nan 8.290 nan 0.000 0.542 367 T N 0.660 115.211 114.554 -0.006 0.000 2.786 367 T HA 0.319 4.668 4.350 -0.001 0.000 0.283 367 T C 0.115 174.802 174.700 -0.022 0.000 0.992 367 T CA -0.317 61.775 62.100 -0.014 0.000 0.954 367 T CB 1.584 70.444 68.868 -0.014 0.000 0.934 367 T HN 0.296 nan 8.240 nan 0.000 0.440 368 V N 5.203 125.101 119.914 -0.026 0.000 2.381 368 V HA 0.036 4.156 4.120 -0.001 0.000 0.257 368 V C 1.647 177.720 176.094 -0.036 0.000 1.057 368 V CA 0.079 62.359 62.300 -0.034 0.000 1.013 368 V CB 0.129 31.929 31.823 -0.038 0.000 1.069 368 V HN 0.895 nan 8.190 nan 0.000 0.484 369 V N 2.645 122.539 119.914 -0.033 0.000 3.235 369 V HA 0.265 4.385 4.120 -0.001 0.000 0.259 369 V C 0.276 176.380 176.094 0.016 0.000 1.133 369 V CA 0.604 62.889 62.300 -0.025 0.000 1.128 369 V CB -0.620 31.179 31.823 -0.040 0.000 0.757 369 V HN 0.639 nan 8.190 nan 0.000 0.469 370 Y N -0.094 120.141 120.300 -0.107 0.000 2.479 370 Y HA 0.630 5.180 4.550 -0.000 0.000 0.338 370 Y C 0.467 176.357 175.900 -0.016 0.000 1.055 370 Y CA 0.190 58.241 58.100 -0.081 0.000 1.023 370 Y CB 1.429 39.791 38.460 -0.162 0.000 1.287 370 Y HN 0.562 nan 8.280 nan 0.000 0.447 371 G N 2.702 111.237 108.800 -0.441 0.000 2.498 371 G HA2 0.202 4.162 3.960 -0.001 0.000 0.251 371 G HA3 0.202 4.162 3.960 -0.001 0.000 0.251 371 G C 0.831 175.742 174.900 0.019 0.000 1.170 371 G CA 0.693 45.737 45.100 -0.094 0.000 0.944 371 G HN 2.172 nan 8.290 nan 0.000 0.567 372 G N -1.578 107.336 108.800 0.190 0.000 2.175 372 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.244 372 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.244 372 G C 0.257 175.275 174.900 0.196 0.000 0.982 372 G CA 1.756 46.931 45.100 0.125 0.000 0.641 372 G HN 1.187 nan 8.290 nan 0.000 0.527 373 K N -0.048 120.511 120.400 0.265 0.000 2.267 373 K HA 0.683 5.003 4.320 -0.001 0.000 0.246 373 K C 0.078 176.847 176.600 0.282 0.000 0.954 373 K CA -0.973 55.450 56.287 0.226 0.000 0.824 373 K CB 2.831 35.385 32.500 0.090 0.000 1.167 373 K HN 0.018 nan 8.250 nan 0.000 0.431 374 V N 3.158 123.209 119.914 0.228 0.000 2.555 374 V HA 0.118 4.237 4.120 -0.001 0.000 0.286 374 V C 0.347 176.494 176.094 0.089 0.000 1.044 374 V CA -0.181 62.203 62.300 0.141 0.000 1.026 374 V CB 0.636 32.539 31.823 0.134 0.000 0.981 374 V HN 0.671 nan 8.190 nan 0.000 0.480 375 M N 3.503 123.152 119.600 0.080 0.000 2.233 375 M HA 0.194 4.673 4.480 -0.001 0.000 0.350 375 M C 0.109 176.435 176.300 0.042 0.000 1.176 375 M CA -0.178 55.157 55.300 0.058 0.000 1.150 375 M CB 0.346 32.985 32.600 0.065 0.000 1.530 375 M HN 0.558 nan 8.290 nan 0.000 0.459 376 D N 5.018 125.426 120.400 0.013 0.000 2.483 376 D HA 0.229 4.869 4.640 -0.001 0.000 0.220 376 D C -0.723 175.567 176.300 -0.018 0.000 1.173 376 D CA 0.018 54.022 54.000 0.006 0.000 0.964 376 D CB 0.170 40.971 40.800 0.000 0.000 1.046 376 D HN 0.570 nan 8.370 nan 0.000 0.517 377 R N 1.132 121.626 120.500 -0.009 0.000 2.728 377 R HA 0.532 4.872 4.340 -0.001 0.000 0.274 377 R C -2.997 173.317 176.300 0.023 0.000 1.032 377 R CA -1.560 54.516 56.100 -0.040 0.000 0.866 377 R CB -0.354 29.849 30.300 -0.162 0.000 1.263 377 R HN -0.077 nan 8.270 nan 0.000 0.475 378 P HA 0.201 nan 4.420 nan 0.000 0.266 378 P C 0.223 177.647 177.300 0.206 0.000 1.193 378 P CA 1.635 64.788 63.100 0.090 0.000 0.770 378 P CB 0.373 32.122 31.700 0.082 0.000 0.836 379 G N 2.155 111.061 108.800 0.176 0.000 2.728 379 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.294 379 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.294 379 G C -0.456 174.511 174.900 0.111 0.000 1.342 379 G CA -0.695 44.505 45.100 0.167 0.000 0.866 379 G HN 0.550 nan 8.290 nan 0.000 0.534 380 N N 0.510 119.147 118.700 -0.106 0.000 2.994 380 N HA 0.290 5.030 4.740 -0.001 0.000 0.306 380 N C -0.665 174.712 175.510 -0.222 0.000 1.348 380 N CA 0.138 53.102 53.050 -0.143 0.000 1.109 380 N CB 0.076 38.448 38.487 -0.191 0.000 1.415 380 N HN 0.424 nan 8.380 nan 0.000 0.529 381 Y N 0.198 120.458 120.300 -0.067 0.000 2.316 381 Y HA 0.296 4.846 4.550 -0.000 0.000 0.331 381 Y C 0.968 176.819 175.900 -0.083 0.000 1.083 381 Y CA -0.816 57.247 58.100 -0.061 0.000 1.206 381 Y CB 1.096 39.548 38.460 -0.014 0.000 1.195 381 Y HN -0.022 nan 8.280 nan 0.000 0.497 382 V N -0.189 119.724 119.914 -0.001 0.000 2.914 382 V HA 0.562 4.681 4.120 -0.001 0.000 0.314 382 V C -0.657 175.409 176.094 -0.047 0.000 1.084 382 V CA -1.365 60.809 62.300 -0.209 0.000 0.963 382 V CB 1.960 33.183 31.823 -1.000 0.000 1.025 382 V HN 0.737 nan 8.190 nan 0.000 0.432 383 E N 4.390 124.578 120.200 -0.019 0.000 2.316 383 E HA 0.312 4.662 4.350 -0.001 0.000 0.275 383 E C -2.454 174.212 176.600 0.111 0.000 1.029 383 E CA -1.695 54.743 56.400 0.064 0.000 0.871 383 E CB 0.888 30.659 29.700 0.118 0.000 1.022 383 E HN 0.664 nan 8.360 nan 0.000 0.418 384 P HA -0.011 nan 4.420 nan 0.000 0.268 384 P C -0.737 176.826 177.300 0.439 0.000 1.205 384 P CA -0.035 63.133 63.100 0.113 0.000 0.771 384 P CB 0.830 32.344 31.700 -0.309 0.000 0.858 385 T N 3.613 118.423 114.554 0.427 0.000 2.861 385 T HA 0.605 4.955 4.350 -0.001 0.000 0.287 385 T C 0.033 174.806 174.700 0.122 0.000 1.003 385 T CA -0.372 61.916 62.100 0.315 0.000 0.977 385 T CB 0.851 69.882 68.868 0.272 0.000 0.996 385 T HN 0.226 nan 8.240 nan 0.000 0.448 386 I N 2.339 122.906 120.570 -0.005 0.000 2.436 386 I HA 0.550 4.720 4.170 -0.001 0.000 0.289 386 I C -0.819 175.222 176.117 -0.127 0.000 1.010 386 I CA -1.118 60.084 61.300 -0.163 0.000 1.098 386 I CB 1.999 39.811 38.000 -0.314 0.000 1.266 386 I HN 0.247 nan 8.210 nan 0.000 0.434 387 V N 4.610 124.427 119.914 -0.162 0.000 2.444 387 V HA 0.454 4.574 4.120 -0.001 0.000 0.294 387 V C 0.263 176.293 176.094 -0.106 0.000 1.022 387 V CA -0.477 61.769 62.300 -0.090 0.000 0.850 387 V CB 1.813 33.636 31.823 0.001 0.000 0.992 387 V HN 0.891 nan 8.190 nan 0.000 0.426 388 T N 0.595 115.104 114.554 -0.074 0.000 2.948 388 T HA 0.722 5.072 4.350 -0.001 0.000 0.285 388 T C 1.060 175.738 174.700 -0.037 0.000 1.019 388 T CA 0.164 62.227 62.100 -0.062 0.000 1.013 388 T CB 1.695 70.568 68.868 0.008 0.000 1.117 388 T HN 1.718 nan 8.240 nan 0.000 0.533 389 G N 0.051 108.837 108.800 -0.023 0.000 2.199 389 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.254 389 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.254 389 G C 0.059 174.970 174.900 0.018 0.000 0.982 389 G CA 0.161 45.260 45.100 -0.002 0.000 0.632 389 G HN 0.865 nan 8.290 nan 0.000 0.529 390 L N 1.154 122.393 121.223 0.027 0.000 2.464 390 L HA 0.519 4.858 4.340 -0.001 0.000 0.264 390 L C 1.614 178.601 176.870 0.195 0.000 1.199 390 L CA 0.008 54.900 54.840 0.087 0.000 0.818 390 L CB 0.435 42.560 42.059 0.111 0.000 1.102 390 L HN 0.238 nan 8.230 nan 0.000 0.473 391 G N -0.985 107.850 108.800 0.059 0.000 2.483 391 G HA2 0.098 4.058 3.960 -0.001 0.000 0.248 391 G HA3 0.098 4.058 3.960 -0.001 0.000 0.248 391 G C 0.713 175.520 174.900 -0.155 0.000 1.248 391 G CA -0.138 44.916 45.100 -0.077 0.000 0.838 391 G HN 0.973 nan 8.290 nan 0.000 0.566 392 H N -0.397 118.397 119.070 -0.461 0.000 2.457 392 H HA -0.103 4.453 4.556 -0.001 0.000 0.297 392 H C 1.124 176.175 175.328 -0.461 0.000 1.092 392 H CA 1.574 57.049 56.048 -0.954 0.000 1.309 392 H CB 0.195 29.323 29.762 -1.057 0.000 1.382 392 H HN 0.456 nan 8.280 nan 0.000 0.535 393 D N 0.674 120.600 120.400 -0.791 0.000 2.388 393 D HA 0.231 4.871 4.640 -0.001 0.000 0.221 393 D C 0.472 176.422 176.300 -0.583 0.000 1.133 393 D CA 0.020 53.615 54.000 -0.673 0.000 0.831 393 D CB -0.473 39.924 40.800 -0.672 0.000 0.962 393 D HN 0.603 nan 8.370 nan 0.000 0.502 394 A N 0.552 123.160 122.820 -0.353 0.000 2.546 394 A HA 0.185 4.504 4.320 -0.001 0.000 0.243 394 A C 1.669 179.107 177.584 -0.242 0.000 1.063 394 A CA -0.046 51.847 52.037 -0.239 0.000 0.757 394 A CB 0.229 19.149 19.000 -0.132 0.000 0.991 394 A HN 0.168 nan 8.150 nan 0.000 0.503 395 S N 2.018 117.596 115.700 -0.204 0.000 2.381 395 S HA -0.253 4.217 4.470 -0.001 0.000 0.230 395 S C 1.807 176.366 174.600 -0.069 0.000 1.052 395 S CA 1.971 60.093 58.200 -0.131 0.000 1.068 395 S CB -0.494 62.654 63.200 -0.087 0.000 0.918 395 S HN 0.806 nan 8.310 nan 0.000 0.448 396 I N 1.614 122.123 120.570 -0.101 0.000 2.493 396 I HA -0.065 4.105 4.170 -0.001 0.000 0.254 396 I C 2.163 178.138 176.117 -0.236 0.000 1.160 396 I CA 0.856 62.094 61.300 -0.103 0.000 1.445 396 I CB -0.625 37.326 38.000 -0.082 0.000 1.086 396 I HN 0.222 nan 8.210 nan 0.000 0.433 397 A N -1.236 121.374 122.820 -0.349 0.000 2.014 397 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 397 A C 2.148 179.772 177.584 0.067 0.000 1.163 397 A CA 1.295 53.114 52.037 -0.364 0.000 0.652 397 A CB -0.998 17.931 19.000 -0.118 0.000 0.808 397 A HN 0.619 nan 8.150 nan 0.000 0.449 398 H N -0.894 118.134 119.070 -0.070 0.000 2.551 398 H HA 0.046 4.602 4.556 -0.000 0.000 0.266 398 H C -0.106 175.244 175.328 0.036 0.000 0.977 398 H CA 0.508 56.554 56.048 -0.002 0.000 1.163 398 H CB 0.307 30.053 29.762 -0.027 0.000 1.381 398 H HN 0.328 nan 8.280 nan 0.000 0.581 399 T N 1.052 115.692 114.554 0.144 0.000 2.845 399 T HA 0.040 4.389 4.350 -0.001 0.000 0.288 399 T C 0.207 175.020 174.700 0.188 0.000 0.980 399 T CA -0.554 61.631 62.100 0.142 0.000 1.071 399 T CB 2.196 71.136 68.868 0.120 0.000 0.941 399 T HN 0.270 nan 8.240 nan 0.000 0.487 400 E N 2.628 122.946 120.200 0.197 0.000 2.070 400 E HA 0.142 4.492 4.350 -0.001 0.000 0.282 400 E C -0.738 176.028 176.600 0.278 0.000 1.104 400 E CA -0.257 56.295 56.400 0.253 0.000 0.876 400 E CB 0.322 30.174 29.700 0.254 0.000 1.055 400 E HN 0.460 nan 8.360 nan 0.000 0.401 401 T N 5.380 120.118 114.554 0.306 0.000 2.749 401 T HA 0.180 4.530 4.350 -0.001 0.000 0.287 401 T C -0.425 174.490 174.700 0.359 0.000 0.970 401 T CA -0.430 61.855 62.100 0.308 0.000 0.980 401 T CB 0.189 69.220 68.868 0.273 0.000 0.924 401 T HN 0.317 nan 8.240 nan 0.000 0.456 402 F N 4.222 124.289 119.950 0.195 0.000 2.626 402 F HA 0.552 5.078 4.527 -0.001 0.000 0.353 402 F C 0.567 176.484 175.800 0.195 0.000 1.230 402 F CA -0.647 57.470 58.000 0.196 0.000 1.298 402 F CB -0.932 38.201 39.000 0.221 0.000 1.670 402 F HN 0.726 nan 8.300 nan 0.000 0.633 403 A N 3.625 126.499 122.820 0.090 0.000 2.601 403 A HA 0.615 4.935 4.320 -0.001 0.000 0.291 403 A C -2.887 174.760 177.584 0.106 0.000 1.075 403 A CA -1.164 50.943 52.037 0.118 0.000 0.671 403 A CB 1.133 20.333 19.000 0.334 0.000 1.277 403 A HN 0.081 nan 8.150 nan 0.000 0.417 404 P HA 0.431 nan 4.420 nan 0.000 0.238 404 P C -1.088 176.331 177.300 0.198 0.000 1.794 404 P CA 0.461 63.632 63.100 0.120 0.000 1.088 404 P CB -0.622 31.157 31.700 0.132 0.000 1.923 405 I N 3.518 124.138 120.570 0.084 0.000 2.439 405 I HA 0.306 4.476 4.170 -0.001 0.000 0.285 405 I C -0.277 175.645 176.117 -0.326 0.000 1.021 405 I CA -1.093 60.138 61.300 -0.115 0.000 1.091 405 I CB 2.327 40.192 38.000 -0.226 0.000 1.242 405 I HN 0.033 nan 8.210 nan 0.000 0.439 406 L N 8.035 129.077 121.223 -0.302 0.000 2.298 406 L HA 0.489 4.828 4.340 -0.001 0.000 0.284 406 L C -1.215 175.412 176.870 -0.405 0.000 1.013 406 L CA -0.217 54.468 54.840 -0.258 0.000 0.824 406 L CB 0.515 42.529 42.059 -0.076 0.000 1.221 406 L HN 0.267 nan 8.230 nan 0.000 0.418 407 Y N 4.493 124.722 120.300 -0.119 0.000 2.365 407 Y HA 0.492 5.042 4.550 -0.001 0.000 0.340 407 Y C 0.197 175.681 175.900 -0.692 0.000 1.016 407 Y CA -0.591 57.294 58.100 -0.358 0.000 1.196 407 Y CB 0.985 39.319 38.460 -0.209 0.000 1.167 407 Y HN 0.277 nan 8.280 nan 0.000 0.509 408 V N 5.255 124.774 119.914 -0.658 0.000 2.483 408 V HA 0.486 4.605 4.120 -0.001 0.000 0.295 408 V C -0.613 174.995 176.094 -0.810 0.000 1.035 408 V CA -1.031 60.915 62.300 -0.589 0.000 0.896 408 V CB 0.905 32.565 31.823 -0.272 0.000 0.986 408 V HN 0.466 nan 8.190 nan 0.000 0.447 409 F N 1.919 121.860 119.950 -0.014 0.000 2.576 409 F HA 0.594 5.120 4.527 -0.001 0.000 0.313 409 F C 0.249 176.216 175.800 0.278 0.000 1.078 409 F CA -1.084 56.954 58.000 0.063 0.000 0.921 409 F CB 1.772 40.708 39.000 -0.106 0.000 1.232 409 F HN 0.256 nan 8.300 nan 0.000 0.459 410 K N 1.960 122.591 120.400 0.384 0.000 2.118 410 K HA 0.654 4.973 4.320 -0.001 0.000 0.264 410 K C -1.056 175.877 176.600 0.556 0.000 1.000 410 K CA -0.463 55.988 56.287 0.274 0.000 0.929 410 K CB 1.183 33.657 32.500 -0.043 0.000 1.021 410 K HN 0.598 nan 8.250 nan 0.000 0.463 411 F N -1.622 118.474 119.950 0.242 0.000 2.685 411 F HA 0.319 4.846 4.527 -0.000 0.000 0.315 411 F C 0.273 176.037 175.800 -0.060 0.000 1.126 411 F CA -0.820 57.308 58.000 0.213 0.000 0.950 411 F CB 1.361 40.474 39.000 0.189 0.000 1.360 411 F HN 0.388 nan 8.300 nan 0.000 0.469 412 Q N 0.401 120.217 119.800 0.026 0.000 2.581 412 Q HA 0.201 4.540 4.340 -0.001 0.000 0.222 412 Q C -0.651 175.486 176.000 0.229 0.000 0.904 412 Q CA 0.349 56.110 55.803 -0.071 0.000 0.923 412 Q CB 0.418 29.156 28.738 0.001 0.000 1.117 412 Q HN 0.795 nan 8.270 nan 0.000 0.618 413 N N -0.832 118.021 118.700 0.255 0.000 2.328 413 N HA 0.092 4.832 4.740 -0.001 0.000 0.299 413 N C 0.045 175.603 175.510 0.080 0.000 1.179 413 N CA -0.553 52.605 53.050 0.180 0.000 0.793 413 N CB 1.141 39.648 38.487 0.034 0.000 1.366 413 N HN -0.030 nan 8.380 nan 0.000 0.493 414 E N 0.089 120.308 120.200 0.032 0.000 2.051 414 E HA -0.309 4.040 4.350 -0.001 0.000 0.192 414 E C 1.200 177.447 176.600 -0.587 0.000 0.991 414 E CA 1.214 57.471 56.400 -0.239 0.000 0.799 414 E CB 0.029 29.514 29.700 -0.358 0.000 0.748 414 E HN 0.809 nan 8.360 nan 0.000 0.449 415 E N 0.707 120.673 120.200 -0.390 0.000 2.051 415 E HA -0.271 4.078 4.350 -0.001 0.000 0.192 415 E C 2.103 178.484 176.600 -0.365 0.000 0.991 415 E CA 1.696 57.905 56.400 -0.319 0.000 0.799 415 E CB -0.206 29.386 29.700 -0.181 0.000 0.748 415 E HN 0.472 nan 8.360 nan 0.000 0.449 416 E N 0.354 120.266 120.200 -0.479 0.000 2.110 416 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 416 E C 2.224 178.005 176.600 -1.364 0.000 0.988 416 E CA 1.354 57.242 56.400 -0.854 0.000 0.804 416 E CB -0.384 28.787 29.700 -0.882 0.000 0.745 416 E HN 0.226 nan 8.360 nan 0.000 0.458 417 V N 0.089 119.360 119.914 -1.072 0.000 2.453 417 V HA -0.163 3.957 4.120 -0.001 0.000 0.247 417 V C 1.858 177.676 176.094 -0.461 0.000 1.048 417 V CA 1.238 62.920 62.300 -1.029 0.000 1.049 417 V CB -0.562 30.429 31.823 -1.387 0.000 0.672 417 V HN 0.236 nan 8.190 nan 0.000 0.457 418 F N 1.164 120.885 119.950 -0.380 0.000 2.102 418 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 418 F C 2.562 178.277 175.800 -0.141 0.000 1.105 418 F CA 1.144 59.088 58.000 -0.093 0.000 1.239 418 F CB -1.692 37.331 39.000 0.037 0.000 0.991 418 F HN 0.248 nan 8.300 nan 0.000 0.474 419 A N -0.174 122.625 122.820 -0.035 0.000 1.908 419 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 419 A C 2.094 179.710 177.584 0.053 0.000 1.181 419 A CA 1.719 53.738 52.037 -0.030 0.000 0.627 419 A CB -1.331 17.619 19.000 -0.083 0.000 0.818 419 A HN 0.453 nan 8.150 nan 0.000 0.445 420 W N -0.019 121.134 121.300 -0.246 0.000 2.388 420 W HA -0.111 4.549 4.660 -0.001 0.000 0.294 420 W C 2.065 178.413 176.519 -0.284 0.000 1.212 420 W CA 0.647 57.788 57.345 -0.341 0.000 1.271 420 W CB -1.541 27.532 29.460 -0.646 0.000 1.126 420 W HN 0.601 nan 8.180 nan 0.000 0.535 421 N N 0.951 119.573 118.700 -0.130 0.000 2.061 421 N HA -0.213 4.526 4.740 -0.001 0.000 0.193 421 N C 1.240 176.774 175.510 0.040 0.000 1.030 421 N CA 2.038 55.091 53.050 0.005 0.000 0.856 421 N CB -0.436 38.122 38.487 0.119 0.000 1.023 421 N HN -0.119 nan 8.380 nan 0.000 0.424 422 N N 0.055 118.769 118.700 0.023 0.000 2.467 422 N HA -0.062 4.678 4.740 -0.001 0.000 0.184 422 N C 0.866 176.381 175.510 0.009 0.000 1.106 422 N CA 0.576 53.624 53.050 -0.002 0.000 0.892 422 N CB -0.096 38.383 38.487 -0.012 0.000 0.969 422 N HN 0.695 nan 8.380 nan 0.000 0.454 423 E N 0.196 120.424 120.200 0.046 0.000 2.371 423 E HA -0.032 4.318 4.350 -0.001 0.000 0.194 423 E C 0.808 177.398 176.600 -0.016 0.000 1.012 423 E CA 0.088 56.535 56.400 0.077 0.000 0.860 423 E CB -0.077 29.752 29.700 0.214 0.000 0.811 423 E HN 0.087 nan 8.360 nan 0.000 0.502 424 V N -0.702 119.113 119.914 -0.165 0.000 3.319 424 V HA 0.111 4.230 4.120 -0.001 0.000 0.303 424 V C 1.049 177.040 176.094 -0.171 0.000 1.094 424 V CA -0.729 61.392 62.300 -0.297 0.000 1.106 424 V CB 1.377 33.005 31.823 -0.325 0.000 1.099 424 V HN -0.081 nan 8.190 nan 0.000 0.476 425 K N 0.035 120.305 120.400 -0.216 0.000 2.243 425 K HA 0.102 4.422 4.320 -0.001 0.000 0.201 425 K C 0.912 177.373 176.600 -0.233 0.000 1.051 425 K CA 0.746 56.800 56.287 -0.389 0.000 0.970 425 K CB -0.240 31.804 32.500 -0.760 0.000 0.755 425 K HN 0.862 nan 8.250 nan 0.000 0.465 426 Q N -0.722 119.024 119.800 -0.090 0.000 2.382 426 Q HA 0.415 4.755 4.340 -0.001 0.000 0.229 426 Q C 0.696 176.695 176.000 -0.003 0.000 1.006 426 Q CA 0.317 56.127 55.803 0.011 0.000 0.916 426 Q CB 0.814 29.585 28.738 0.054 0.000 1.235 426 Q HN 0.261 nan 8.270 nan 0.000 0.512 427 G N -0.006 108.799 108.800 0.009 0.000 5.252 427 G HA2 0.201 4.161 3.960 -0.001 0.000 0.214 427 G HA3 0.201 4.161 3.960 -0.001 0.000 0.214 427 G C -0.469 174.400 174.900 -0.051 0.000 0.817 427 G CA -0.202 44.882 45.100 -0.027 0.000 0.715 427 G HN 0.399 nan 8.290 nan 0.000 0.480 428 L N 0.164 121.371 121.223 -0.027 0.000 2.121 428 L HA 0.620 4.959 4.340 -0.001 0.000 0.200 428 L C 0.973 177.792 176.870 -0.085 0.000 1.132 428 L CA 1.271 56.068 54.840 -0.072 0.000 0.782 428 L CB 0.004 42.052 42.059 -0.018 0.000 0.940 428 L HN 0.155 nan 8.230 nan 0.000 0.458 429 S N -1.486 114.213 115.700 -0.002 0.000 2.634 429 S HA 0.803 5.272 4.470 -0.001 0.000 0.296 429 S C -1.014 173.646 174.600 0.100 0.000 1.104 429 S CA -0.014 58.205 58.200 0.032 0.000 0.920 429 S CB 1.194 64.445 63.200 0.084 0.000 1.111 429 S HN 0.663 nan 8.310 nan 0.000 0.493 430 S N 1.039 116.828 115.700 0.149 0.000 2.543 430 S HA 0.747 5.217 4.470 -0.001 0.000 0.274 430 S C -1.492 173.356 174.600 0.413 0.000 1.149 430 S CA -0.727 57.650 58.200 0.295 0.000 0.866 430 S CB 1.291 64.642 63.200 0.252 0.000 1.111 430 S HN 0.607 nan 8.310 nan 0.000 0.457 431 S N 1.355 117.328 115.700 0.455 0.000 2.546 431 S HA 0.674 5.143 4.470 -0.001 0.000 0.272 431 S C -0.641 173.993 174.600 0.057 0.000 1.140 431 S CA -0.893 57.485 58.200 0.297 0.000 0.920 431 S CB 1.089 64.455 63.200 0.276 0.000 1.083 431 S HN 1.079 nan 8.310 nan 0.000 0.476 432 I N -0.765 119.627 120.570 -0.297 0.000 2.493 432 I HA 0.732 4.902 4.170 -0.001 0.000 0.298 432 I C -1.526 174.488 176.117 -0.173 0.000 0.998 432 I CA -0.893 60.230 61.300 -0.295 0.000 1.137 432 I CB 1.193 38.779 38.000 -0.691 0.000 1.310 432 I HN 0.461 nan 8.210 nan 0.000 0.445 433 F N 3.539 123.529 119.950 0.066 0.000 2.402 433 F HA 0.669 5.196 4.527 -0.000 0.000 0.355 433 F C 0.420 176.313 175.800 0.155 0.000 1.123 433 F CA -0.349 57.708 58.000 0.095 0.000 1.021 433 F CB 1.911 40.974 39.000 0.106 0.000 1.160 433 F HN 0.676 nan 8.300 nan 0.000 0.451 434 T N 1.845 116.487 114.554 0.146 0.000 2.775 434 T HA 0.278 4.628 4.350 -0.001 0.000 0.320 434 T C -0.160 174.546 174.700 0.010 0.000 1.597 434 T CA -0.738 61.412 62.100 0.083 0.000 1.022 434 T CB 1.546 70.364 68.868 -0.083 0.000 1.485 434 T HN 0.649 nan 8.240 nan 0.000 0.494 435 K N 0.484 120.887 120.400 0.004 0.000 2.374 435 K HA 0.207 4.527 4.320 -0.001 0.000 0.202 435 K C -0.006 176.583 176.600 -0.018 0.000 1.040 435 K CA -0.356 55.930 56.287 -0.002 0.000 1.085 435 K CB 0.509 33.020 32.500 0.018 0.000 0.873 435 K HN 0.444 nan 8.250 nan 0.000 0.539 436 D N 1.894 122.263 120.400 -0.052 0.000 2.338 436 D HA -0.024 4.616 4.640 -0.001 0.000 0.255 436 D C 0.918 177.206 176.300 -0.020 0.000 1.237 436 D CA -0.088 53.881 54.000 -0.052 0.000 0.883 436 D CB 1.143 41.877 40.800 -0.110 0.000 1.087 436 D HN -0.050 nan 8.370 nan 0.000 0.485 437 L N 5.526 126.769 121.223 0.033 0.000 2.012 437 L HA -0.053 4.287 4.340 -0.001 0.000 0.210 437 L C 2.208 179.196 176.870 0.196 0.000 1.073 437 L CA 2.480 57.392 54.840 0.120 0.000 0.748 437 L CB -0.725 41.407 42.059 0.121 0.000 0.891 437 L HN 0.587 nan 8.230 nan 0.000 0.431 438 G N -1.080 107.789 108.800 0.115 0.000 2.418 438 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.217 438 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.217 438 G C 1.791 176.764 174.900 0.121 0.000 1.158 438 G CA 0.768 45.941 45.100 0.122 0.000 0.771 438 G HN 0.436 nan 8.290 nan 0.000 0.545 439 R N 0.020 120.534 120.500 0.024 0.000 2.096 439 R HA 0.019 4.359 4.340 -0.001 0.000 0.235 439 R C 2.497 178.851 176.300 0.091 0.000 1.127 439 R CA 1.103 57.196 56.100 -0.011 0.000 0.968 439 R CB -0.316 29.828 30.300 -0.259 0.000 0.861 439 R HN 0.432 nan 8.270 nan 0.000 0.440 440 I N -0.013 120.573 120.570 0.026 0.000 2.142 440 I HA -0.282 3.888 4.170 -0.001 0.000 0.240 440 I C 1.783 177.882 176.117 -0.029 0.000 1.078 440 I CA 1.399 62.681 61.300 -0.031 0.000 1.343 440 I CB -0.268 37.642 38.000 -0.149 0.000 1.046 440 I HN 0.126 nan 8.210 nan 0.000 0.405 441 F N 0.779 120.777 119.950 0.079 0.000 2.234 441 F HA -0.128 4.399 4.527 -0.001 0.000 0.299 441 F C 2.634 178.487 175.800 0.088 0.000 1.087 441 F CA 1.244 59.283 58.000 0.065 0.000 1.340 441 F CB -0.429 38.590 39.000 0.032 0.000 1.031 441 F HN -0.107 nan 8.300 nan 0.000 0.500 442 R N -0.691 119.977 120.500 0.280 0.000 2.092 442 R HA -0.217 4.123 4.340 -0.001 0.000 0.231 442 R C 2.264 178.733 176.300 0.281 0.000 1.119 442 R CA 1.407 57.670 56.100 0.271 0.000 0.970 442 R CB -0.835 29.643 30.300 0.296 0.000 0.864 442 R HN 0.502 nan 8.270 nan 0.000 0.440 443 W N 1.521 122.833 121.300 0.020 0.000 2.363 443 W HA -0.161 4.498 4.660 -0.000 0.000 0.296 443 W C 1.002 177.368 176.519 -0.256 0.000 1.212 443 W CA 1.104 58.259 57.345 -0.317 0.000 1.260 443 W CB 0.023 29.299 29.460 -0.308 0.000 1.131 443 W HN 0.099 nan 8.180 nan 0.000 0.530 444 L N 0.434 121.589 121.223 -0.113 0.000 2.492 444 L HA 0.135 4.474 4.340 -0.001 0.000 0.223 444 L C 1.566 178.354 176.870 -0.136 0.000 1.132 444 L CA 0.418 55.133 54.840 -0.207 0.000 0.850 444 L CB -1.061 40.916 42.059 -0.136 0.000 0.966 444 L HN -0.129 nan 8.230 nan 0.000 0.454 445 G N -0.158 108.604 108.800 -0.063 0.000 2.568 445 G HA2 0.277 4.237 3.960 -0.001 0.000 0.293 445 G HA3 0.277 4.237 3.960 -0.001 0.000 0.293 445 G C -1.742 173.123 174.900 -0.058 0.000 1.347 445 G CA -0.563 44.527 45.100 -0.017 0.000 1.039 445 G HN -0.106 nan 8.290 nan 0.000 0.523 446 P HA 0.040 nan 4.420 nan 0.000 0.226 446 P C 0.689 177.974 177.300 -0.025 0.000 1.153 446 P CA 0.865 63.944 63.100 -0.035 0.000 0.777 446 P CB 0.360 32.051 31.700 -0.015 0.000 0.794 447 K N -0.170 120.239 120.400 0.015 0.000 2.399 447 K HA 0.305 4.624 4.320 -0.001 0.000 0.204 447 K C 1.262 177.924 176.600 0.103 0.000 1.023 447 K CA -0.042 56.281 56.287 0.059 0.000 1.127 447 K CB 0.485 33.042 32.500 0.095 0.000 0.856 447 K HN 0.105 nan 8.250 nan 0.000 0.514 448 G N 0.615 109.382 108.800 -0.055 0.000 2.714 448 G HA2 0.067 4.027 3.960 -0.001 0.000 0.197 448 G HA3 0.067 4.027 3.960 -0.001 0.000 0.197 448 G C -0.419 174.161 174.900 -0.532 0.000 1.449 448 G CA -0.376 44.535 45.100 -0.315 0.000 1.065 448 G HN 0.124 nan 8.290 nan 0.000 0.575 449 S N -0.080 114.976 115.700 -1.073 0.000 2.560 449 S HA 0.103 4.572 4.470 -0.001 0.000 0.284 449 S C 0.906 175.174 174.600 -0.554 0.000 1.327 449 S CA 0.377 57.962 58.200 -1.024 0.000 1.055 449 S CB 0.625 62.815 63.200 -1.683 0.000 0.868 449 S HN 0.569 nan 8.310 nan 0.000 0.506 450 D N 2.461 122.650 120.400 -0.352 0.000 2.328 450 D HA 0.129 4.769 4.640 -0.001 0.000 0.221 450 D C 0.364 176.543 176.300 -0.202 0.000 1.072 450 D CA -0.215 53.650 54.000 -0.224 0.000 0.850 450 D CB -0.785 39.934 40.800 -0.136 0.000 0.922 450 D HN 0.293 nan 8.370 nan 0.000 0.516 451 C N -0.415 118.734 119.300 -0.252 0.000 2.347 451 C HA 0.691 5.150 4.460 -0.001 0.000 0.366 451 C C 2.238 177.108 174.990 -0.201 0.000 1.241 451 C CA -0.220 58.685 59.018 -0.189 0.000 2.360 451 C CB 1.096 28.740 27.740 -0.159 0.000 2.290 451 C HN 0.434 nan 8.230 nan 0.000 0.587 452 G N 0.198 108.889 108.800 -0.182 0.000 2.511 452 G HA2 0.120 4.080 3.960 -0.001 0.000 0.217 452 G HA3 0.120 4.080 3.960 -0.001 0.000 0.217 452 G C 0.357 175.131 174.900 -0.209 0.000 1.133 452 G CA 0.780 45.760 45.100 -0.201 0.000 0.792 452 G HN 0.554 nan 8.290 nan 0.000 0.539 453 I N 1.333 121.788 120.570 -0.192 0.000 2.418 453 I HA 0.398 4.568 4.170 -0.001 0.000 0.287 453 I C -0.953 175.095 176.117 -0.116 0.000 1.008 453 I CA -1.282 59.935 61.300 -0.138 0.000 1.104 453 I CB 1.673 39.613 38.000 -0.100 0.000 1.264 453 I HN -0.276 nan 8.210 nan 0.000 0.438 454 V N 6.710 126.549 119.914 -0.124 0.000 2.385 454 V HA 0.411 4.531 4.120 -0.001 0.000 0.277 454 V C -0.218 175.891 176.094 0.025 0.000 1.012 454 V CA -0.664 61.535 62.300 -0.170 0.000 0.832 454 V CB 1.319 32.872 31.823 -0.450 0.000 1.028 454 V HN 0.637 nan 8.190 nan 0.000 0.436 455 N N 2.406 121.233 118.700 0.210 0.000 2.443 455 N HA 0.757 5.497 4.740 -0.001 0.000 0.293 455 N C -0.848 174.749 175.510 0.145 0.000 1.159 455 N CA -0.434 52.700 53.050 0.139 0.000 0.904 455 N CB 2.563 41.103 38.487 0.089 0.000 1.214 455 N HN 0.315 nan 8.380 nan 0.000 0.513 456 V N 2.199 122.086 119.914 -0.047 0.000 2.525 456 V HA 0.319 4.438 4.120 -0.001 0.000 0.299 456 V C -0.082 175.793 176.094 -0.366 0.000 1.034 456 V CA -0.797 61.380 62.300 -0.205 0.000 0.863 456 V CB 1.242 32.984 31.823 -0.136 0.000 0.999 456 V HN 0.700 nan 8.190 nan 0.000 0.423 457 N N 2.364 120.596 118.700 -0.780 0.000 2.741 457 N HA -0.196 4.544 4.740 -0.001 0.000 0.251 457 N C -0.555 174.622 175.510 -0.554 0.000 1.112 457 N CA 1.426 53.924 53.050 -0.920 0.000 0.750 457 N CB -0.616 37.680 38.487 -0.318 0.000 1.119 457 N HN 0.783 nan 8.380 nan 0.000 0.561 458 I N -0.763 119.519 120.570 -0.480 0.000 2.752 458 I HA 0.456 4.626 4.170 -0.001 0.000 0.295 458 I C -2.456 173.728 176.117 0.110 0.000 1.219 458 I CA -1.925 59.358 61.300 -0.028 0.000 1.030 458 I CB 2.884 40.885 38.000 0.003 0.000 1.259 458 I HN -0.264 nan 8.210 nan 0.000 0.423 459 P HA 0.176 nan 4.420 nan 0.000 0.297 459 P C 0.488 177.955 177.300 0.277 0.000 1.303 459 P CA 0.092 63.429 63.100 0.394 0.000 0.753 459 P CB 0.276 32.225 31.700 0.416 0.000 1.281 460 T N -4.349 110.366 114.554 0.268 0.000 2.962 460 T HA -0.048 4.302 4.350 -0.001 0.000 0.270 460 T C 1.591 176.418 174.700 0.210 0.000 1.088 460 T CA 1.095 63.328 62.100 0.222 0.000 1.127 460 T CB -1.163 67.833 68.868 0.213 0.000 0.883 460 T HN 0.229 nan 8.240 nan 0.000 0.493 461 S N 0.969 116.808 115.700 0.232 0.000 2.631 461 S HA 0.340 4.810 4.470 -0.001 0.000 0.217 461 S C 1.205 175.954 174.600 0.249 0.000 0.958 461 S CA -0.204 58.142 58.200 0.243 0.000 0.920 461 S CB -0.309 63.030 63.200 0.231 0.000 0.776 461 S HN 0.784 nan 8.310 nan 0.000 0.517 462 G N 1.659 110.588 108.800 0.215 0.000 2.396 462 G HA2 0.557 4.517 3.960 -0.001 0.000 0.292 462 G HA3 0.557 4.517 3.960 -0.001 0.000 0.292 462 G C -0.370 174.604 174.900 0.124 0.000 1.106 462 G CA 0.102 45.295 45.100 0.156 0.000 1.055 462 G HN 0.436 nan 8.290 nan 0.000 0.424 463 A N 3.060 125.942 122.820 0.102 0.000 2.605 463 A HA 0.840 5.160 4.320 -0.001 0.000 0.294 463 A C -0.592 176.990 177.584 -0.003 0.000 1.062 463 A CA -0.861 51.215 52.037 0.066 0.000 0.682 463 A CB 1.530 20.626 19.000 0.159 0.000 1.278 463 A HN 0.852 nan 8.150 nan 0.000 0.410 464 E N 0.381 120.548 120.200 -0.055 0.000 2.446 464 E HA 0.549 4.898 4.350 -0.001 0.000 0.276 464 E C 0.441 176.927 176.600 -0.189 0.000 0.969 464 E CA -0.430 55.915 56.400 -0.092 0.000 0.800 464 E CB 1.327 30.992 29.700 -0.059 0.000 1.341 464 E HN 0.865 nan 8.360 nan 0.000 0.460 465 I N -1.528 118.907 120.570 -0.225 0.000 2.614 465 I HA 0.066 4.236 4.170 -0.001 0.000 0.258 465 I C 1.656 177.478 176.117 -0.492 0.000 1.189 465 I CA 1.439 62.512 61.300 -0.380 0.000 1.462 465 I CB -0.342 37.450 38.000 -0.347 0.000 1.092 465 I HN 0.612 nan 8.210 nan 0.000 0.442 466 G N 1.188 109.772 108.800 -0.360 0.000 2.471 466 G HA2 0.093 4.053 3.960 -0.001 0.000 0.219 466 G HA3 0.093 4.053 3.960 -0.001 0.000 0.219 466 G C 0.865 175.666 174.900 -0.164 0.000 1.125 466 G CA 0.496 45.418 45.100 -0.297 0.000 0.775 466 G HN 0.593 nan 8.290 nan 0.000 0.548 467 G N -0.724 107.984 108.800 -0.154 0.000 2.437 467 G HA2 0.587 4.547 3.960 -0.001 0.000 0.319 467 G HA3 0.587 4.547 3.960 -0.001 0.000 0.319 467 G C -0.160 174.670 174.900 -0.118 0.000 1.158 467 G CA 0.086 45.126 45.100 -0.100 0.000 0.899 467 G HN 0.453 nan 8.290 nan 0.000 0.502 468 A N 0.168 122.939 122.820 -0.082 0.000 2.401 468 A HA 0.566 4.886 4.320 -0.001 0.000 0.259 468 A C -0.955 176.584 177.584 -0.075 0.000 1.103 468 A CA -0.274 51.715 52.037 -0.079 0.000 0.789 468 A CB 0.273 19.230 19.000 -0.071 0.000 1.035 468 A HN 0.786 nan 8.150 nan 0.000 0.491 469 F N 2.250 122.053 119.950 -0.246 0.000 2.467 469 F HA 0.654 5.180 4.527 -0.001 0.000 0.336 469 F C 0.421 176.122 175.800 -0.165 0.000 1.123 469 F CA 0.815 58.659 58.000 -0.260 0.000 0.964 469 F CB 1.477 40.190 39.000 -0.478 0.000 1.136 469 F HN 1.041 nan 8.300 nan 0.000 0.447 470 G N 2.637 110.957 108.800 -0.800 0.000 2.327 470 G HA2 0.458 4.418 3.960 -0.001 0.000 0.291 470 G HA3 0.458 4.418 3.960 -0.001 0.000 0.291 470 G C -1.492 173.160 174.900 -0.414 0.000 1.290 470 G CA -0.207 44.568 45.100 -0.542 0.000 0.857 470 G HN 1.107 nan 8.290 nan 0.000 0.520 471 G N -1.462 107.196 108.800 -0.235 0.000 2.949 471 G HA2 0.717 4.676 3.960 -0.001 0.000 0.285 471 G HA3 0.717 4.676 3.960 -0.001 0.000 0.285 471 G C -1.254 173.588 174.900 -0.096 0.000 1.395 471 G CA -0.397 44.604 45.100 -0.165 0.000 0.901 471 G HN 0.537 nan 8.290 nan 0.000 0.519 472 E N -0.180 119.976 120.200 -0.073 0.000 2.303 472 E HA 0.459 4.809 4.350 -0.001 0.000 0.254 472 E C 0.084 176.685 176.600 0.001 0.000 0.979 472 E CA -0.559 55.815 56.400 -0.044 0.000 0.843 472 E CB 1.681 31.342 29.700 -0.064 0.000 1.245 472 E HN 0.645 nan 8.360 nan 0.000 0.413 473 K N -0.361 120.054 120.400 0.025 0.000 1.882 473 K HA -0.280 4.039 4.320 -0.001 0.000 0.199 473 K C 1.242 177.948 176.600 0.177 0.000 1.562 473 K CA 1.492 57.837 56.287 0.097 0.000 0.515 473 K CB -1.132 31.402 32.500 0.057 0.000 0.682 473 K HN 0.652 nan 8.250 nan 0.000 0.843 474 H N 0.790 119.862 119.070 0.003 0.000 2.563 474 H HA -0.012 4.544 4.556 -0.001 0.000 0.272 474 H C 1.320 176.663 175.328 0.025 0.000 1.005 474 H CA 0.964 57.022 56.048 0.016 0.000 1.171 474 H CB -0.056 29.722 29.762 0.026 0.000 1.351 474 H HN 0.379 nan 8.280 nan 0.000 0.602 475 T N -0.934 113.694 114.554 0.125 0.000 3.072 475 T HA 0.022 4.371 4.350 -0.001 0.000 0.266 475 T C 1.859 176.591 174.700 0.054 0.000 1.127 475 T CA 0.897 63.042 62.100 0.076 0.000 1.107 475 T CB 0.147 69.032 68.868 0.028 0.000 0.910 475 T HN 0.722 nan 8.240 nan 0.000 0.513 476 G N 0.203 109.026 108.800 0.038 0.000 2.238 476 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.217 476 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.217 476 G C 1.047 175.948 174.900 0.003 0.000 0.996 476 G CA 0.227 45.340 45.100 0.021 0.000 0.632 476 G HN 1.228 nan 8.290 nan 0.000 0.503 477 G N -0.803 107.990 108.800 -0.012 0.000 2.234 477 G HA2 0.218 4.178 3.960 -0.001 0.000 0.235 477 G HA3 0.218 4.178 3.960 -0.001 0.000 0.235 477 G C 1.490 176.368 174.900 -0.038 0.000 0.997 477 G CA 1.049 46.131 45.100 -0.030 0.000 0.623 477 G HN 2.128 nan 8.290 nan 0.000 0.514 478 G N -0.155 108.633 108.800 -0.020 0.000 2.572 478 G HA2 0.565 4.525 3.960 -0.001 0.000 0.261 478 G HA3 0.565 4.525 3.960 -0.001 0.000 0.261 478 G C -0.093 174.789 174.900 -0.029 0.000 1.197 478 G CA -0.262 44.826 45.100 -0.020 0.000 0.870 478 G HN 0.383 nan 8.290 nan 0.000 0.548 479 R N 0.137 120.623 120.500 -0.023 0.000 2.795 479 R HA 0.486 4.825 4.340 -0.001 0.000 0.275 479 R C -0.677 175.664 176.300 0.068 0.000 0.981 479 R CA -0.661 55.434 56.100 -0.009 0.000 0.917 479 R CB 2.308 32.580 30.300 -0.046 0.000 1.202 479 R HN 0.717 nan 8.270 nan 0.000 0.469 480 E N -0.131 120.117 120.200 0.080 0.000 2.359 480 E HA 0.438 4.787 4.350 -0.001 0.000 0.266 480 E C -0.217 176.331 176.600 -0.087 0.000 0.920 480 E CA -0.663 55.797 56.400 0.099 0.000 0.788 480 E CB 2.295 32.092 29.700 0.161 0.000 1.279 480 E HN 0.618 nan 8.360 nan 0.000 0.438 481 S N -0.377 115.263 115.700 -0.100 0.000 4.158 481 S HA -0.193 4.277 4.470 -0.001 0.000 0.621 481 S C 0.754 175.304 174.600 -0.082 0.000 1.867 481 S CA 1.093 59.146 58.200 -0.246 0.000 4.249 481 S CB -1.664 61.118 63.200 -0.697 0.000 0.202 481 S HN 0.847 nan 8.310 nan 0.000 0.457 482 G N 0.214 108.926 108.800 -0.147 0.000 2.702 482 G HA2 0.609 4.568 3.960 -0.001 0.000 0.254 482 G HA3 0.609 4.568 3.960 -0.001 0.000 0.254 482 G C 0.534 175.478 174.900 0.074 0.000 1.380 482 G CA 0.876 45.952 45.100 -0.039 0.000 1.042 482 G HN 1.900 nan 8.290 nan 0.000 0.557 483 S N -0.702 115.070 115.700 0.119 0.000 3.711 483 S HA -0.314 4.156 4.470 -0.001 0.000 0.625 483 S C 0.925 175.603 174.600 0.130 0.000 2.458 483 S CA 2.164 60.423 58.200 0.099 0.000 4.059 483 S CB -1.383 61.824 63.200 0.011 0.000 0.257 483 S HN 1.328 nan 8.310 nan 0.000 0.974 484 D N 1.427 121.807 120.400 -0.032 0.000 2.587 484 D HA 0.583 5.223 4.640 -0.001 0.000 0.233 484 D C 1.112 177.154 176.300 -0.431 0.000 1.213 484 D CA 0.783 54.589 54.000 -0.323 0.000 0.827 484 D CB -0.445 40.091 40.800 -0.440 0.000 1.006 484 D HN 0.734 nan 8.370 nan 0.000 0.490 485 A N 1.040 123.786 122.820 -0.122 0.000 2.024 485 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 485 A C 1.940 179.571 177.584 0.079 0.000 1.164 485 A CA 1.198 53.220 52.037 -0.026 0.000 0.643 485 A CB -1.358 17.694 19.000 0.086 0.000 0.806 485 A HN 0.676 nan 8.150 nan 0.000 0.451 486 W N 0.357 121.715 121.300 0.096 0.000 2.364 486 W HA -0.175 4.485 4.660 -0.000 0.000 0.281 486 W C 1.183 177.767 176.519 0.108 0.000 1.219 486 W CA 1.214 58.630 57.345 0.117 0.000 1.220 486 W CB -0.744 28.691 29.460 -0.042 0.000 1.127 486 W HN 0.280 nan 8.180 nan 0.000 0.556 487 K N 0.992 120.898 120.400 -0.823 0.000 2.280 487 K HA -0.174 4.146 4.320 -0.001 0.000 0.202 487 K C 2.161 178.677 176.600 -0.139 0.000 1.047 487 K CA 1.780 57.533 56.287 -0.890 0.000 0.942 487 K CB -0.302 31.429 32.500 -1.282 0.000 0.739 487 K HN 0.298 nan 8.250 nan 0.000 0.457 488 Q N -0.656 119.097 119.800 -0.079 0.000 2.364 488 Q HA -0.124 4.216 4.340 -0.001 0.000 0.207 488 Q C 0.578 176.500 176.000 -0.129 0.000 0.970 488 Q CA 1.133 56.862 55.803 -0.124 0.000 0.888 488 Q CB 0.114 28.684 28.738 -0.279 0.000 0.951 488 Q HN 0.465 nan 8.270 nan 0.000 0.469 489 Y N -0.909 119.468 120.300 0.130 0.000 2.524 489 Y HA 0.288 4.838 4.550 -0.001 0.000 0.266 489 Y C 0.434 176.480 175.900 0.244 0.000 1.180 489 Y CA -0.228 57.979 58.100 0.178 0.000 1.244 489 Y CB 0.451 39.023 38.460 0.187 0.000 1.125 489 Y HN -0.005 nan 8.280 nan 0.000 0.524 490 M N 0.205 120.052 119.600 0.411 0.000 2.631 490 M HA 0.452 4.931 4.480 -0.001 0.000 0.288 490 M C -0.921 175.658 176.300 0.464 0.000 1.260 490 M CA -1.004 54.589 55.300 0.488 0.000 0.842 490 M CB 3.031 36.040 32.600 0.681 0.000 1.743 490 M HN -0.014 nan 8.290 nan 0.000 0.461 491 R N 0.846 121.560 120.500 0.356 0.000 2.393 491 R HA 0.650 4.990 4.340 -0.001 0.000 0.310 491 R C -0.784 175.465 176.300 -0.085 0.000 0.968 491 R CA -0.897 55.286 56.100 0.140 0.000 0.867 491 R CB 1.905 32.244 30.300 0.066 0.000 1.124 491 R HN 0.645 nan 8.270 nan 0.000 0.450 492 R N 2.053 122.259 120.500 -0.489 0.000 2.390 492 R HA 0.195 4.535 4.340 -0.001 0.000 0.291 492 R C -0.920 175.083 176.300 -0.496 0.000 1.070 492 R CA -0.172 55.307 56.100 -1.035 0.000 1.014 492 R CB 0.998 30.592 30.300 -1.178 0.000 1.007 492 R HN 0.961 nan 8.270 nan 0.000 0.466 493 S N 1.626 117.067 115.700 -0.432 0.000 2.526 493 S HA 0.402 4.872 4.470 -0.001 0.000 0.293 493 S C -0.853 173.628 174.600 -0.199 0.000 1.092 493 S CA -0.831 57.230 58.200 -0.232 0.000 0.980 493 S CB 2.161 65.282 63.200 -0.132 0.000 1.048 493 S HN 0.500 nan 8.310 nan 0.000 0.483 494 T N 2.132 116.608 114.554 -0.130 0.000 2.756 494 T HA 0.510 4.860 4.350 -0.001 0.000 0.290 494 T C -0.709 173.965 174.700 -0.044 0.000 0.985 494 T CA -0.437 61.614 62.100 -0.082 0.000 0.955 494 T CB -0.114 68.712 68.868 -0.070 0.000 0.930 494 T HN 0.813 nan 8.240 nan 0.000 0.451 495 C N 3.813 123.101 119.300 -0.021 0.000 2.316 495 C HA 0.584 5.043 4.460 -0.001 0.000 0.324 495 C C 0.693 175.700 174.990 0.028 0.000 1.226 495 C CA -0.985 58.034 59.018 0.001 0.000 1.450 495 C CB 0.122 27.863 27.740 0.002 0.000 2.123 495 C HN 0.823 nan 8.230 nan 0.000 0.454 496 T N 4.296 118.873 114.554 0.038 0.000 2.767 496 T HA 0.563 4.913 4.350 -0.001 0.000 0.284 496 T C -0.220 174.532 174.700 0.085 0.000 0.973 496 T CA -0.007 62.138 62.100 0.076 0.000 0.996 496 T CB 0.493 69.407 68.868 0.078 0.000 0.927 496 T HN 0.484 nan 8.240 nan 0.000 0.456 497 I N 3.860 124.491 120.570 0.102 0.000 2.382 497 I HA 0.284 4.453 4.170 -0.001 0.000 0.285 497 I C 0.001 176.102 176.117 -0.026 0.000 1.007 497 I CA -0.903 60.436 61.300 0.066 0.000 1.142 497 I CB 1.285 39.345 38.000 0.100 0.000 1.289 497 I HN 0.447 nan 8.210 nan 0.000 0.453 498 N N 6.121 124.713 118.700 -0.179 0.000 2.439 498 N HA 0.034 4.773 4.740 -0.001 0.000 0.243 498 N C 0.134 175.452 175.510 -0.319 0.000 1.088 498 N CA -0.220 52.464 53.050 -0.611 0.000 0.940 498 N CB 0.372 38.526 38.487 -0.555 0.000 1.180 498 N HN 0.491 nan 8.380 nan 0.000 0.505 499 Y N 1.477 121.630 120.300 -0.245 0.000 2.468 499 Y HA 0.382 4.931 4.550 -0.001 0.000 0.268 499 Y C 0.559 176.392 175.900 -0.112 0.000 1.177 499 Y CA -0.874 57.148 58.100 -0.130 0.000 1.265 499 Y CB -0.739 37.673 38.460 -0.080 0.000 1.103 499 Y HN 0.300 nan 8.280 nan 0.000 0.522 500 S N 0.000 115.515 115.700 -0.308 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.097 58.200 -0.172 0.000 1.107 500 S CB 0.000 63.038 63.200 -0.271 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517