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 3kfb_1_F DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE IKETETDAEI RITDPAKLME DATA SEQUENCE FIEQEEKMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.478 175.510 -0.053 0.000 1.280 11 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 11 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 12 M N 0.775 120.334 119.600 -0.069 0.000 2.817 12 M HA 0.250 4.730 4.480 0.000 0.000 0.228 12 M C -0.279 175.959 176.300 -0.104 0.000 1.644 12 M CA 0.566 55.824 55.300 -0.070 0.000 1.177 12 M CB 0.647 33.214 32.600 -0.056 0.000 1.302 12 M HN 0.222 nan 8.290 nan 0.000 0.565 13 K N 1.216 121.525 120.400 -0.152 0.000 2.507 13 K HA 0.522 4.842 4.320 0.000 0.000 0.252 13 K C -1.042 175.310 176.600 -0.414 0.000 0.943 13 K CA -0.391 55.734 56.287 -0.270 0.000 0.808 13 K CB 2.890 35.235 32.500 -0.260 0.000 1.142 13 K HN 0.016 nan 8.250 nan 0.000 0.426 14 R N 3.051 123.266 120.500 -0.475 0.000 2.532 14 R HA 0.321 4.661 4.340 0.000 0.000 0.297 14 R C -1.549 174.474 176.300 -0.463 0.000 0.984 14 R CA -0.625 55.219 56.100 -0.427 0.000 0.884 14 R CB 0.917 31.104 30.300 -0.188 0.000 1.182 14 R HN 0.455 nan 8.270 nan 0.000 0.442 15 Y N 3.878 124.175 120.300 -0.005 0.000 2.328 15 Y HA 0.413 4.963 4.550 0.000 0.000 0.337 15 Y C 0.296 176.195 175.900 -0.001 0.000 1.008 15 Y CA -0.957 57.143 58.100 -0.000 0.000 1.129 15 Y CB 1.541 40.005 38.460 0.007 0.000 1.185 15 Y HN 0.233 nan 8.280 nan 0.000 0.476 16 M N 2.767 122.449 119.600 0.136 0.000 2.180 16 M HA 0.332 4.812 4.480 0.000 0.000 0.350 16 M C 1.112 177.445 176.300 0.055 0.000 1.125 16 M CA -0.070 55.270 55.300 0.067 0.000 1.031 16 M CB 0.867 33.490 32.600 0.039 0.000 1.623 16 M HN 0.981 nan 8.290 nan 0.000 0.451 17 G N 4.550 113.370 108.800 0.035 0.000 2.774 17 G HA2 -0.413 3.548 3.960 0.000 0.000 0.342 17 G HA3 -0.413 3.548 3.960 0.000 0.000 0.342 17 G C 1.085 175.988 174.900 0.005 0.000 1.185 17 G CA 1.112 46.218 45.100 0.009 0.000 0.956 17 G HN 0.698 nan 8.290 nan 0.000 0.561 18 R N 0.889 121.388 120.500 -0.002 0.000 2.148 18 R HA 0.096 4.436 4.340 0.000 0.000 0.227 18 R C 2.188 178.486 176.300 -0.003 0.000 1.103 18 R CA 1.558 57.652 56.100 -0.010 0.000 0.983 18 R CB -0.261 30.031 30.300 -0.013 0.000 0.874 18 R HN 0.532 nan 8.270 nan 0.000 0.451 19 D N 0.389 120.800 120.400 0.018 0.000 2.120 19 D HA -0.033 4.607 4.640 0.000 0.000 0.202 19 D C 1.850 178.154 176.300 0.006 0.000 0.972 19 D CA 1.471 55.480 54.000 0.015 0.000 0.837 19 D CB -0.255 40.588 40.800 0.071 0.000 0.989 19 D HN 0.221 nan 8.370 nan 0.000 0.469 20 A N 0.802 123.666 122.820 0.073 0.000 1.930 20 A HA -0.205 4.115 4.320 0.000 0.000 0.217 20 A C 2.117 179.722 177.584 0.036 0.000 1.175 20 A CA 1.342 53.435 52.037 0.094 0.000 0.627 20 A CB -0.576 18.502 19.000 0.131 0.000 0.815 20 A HN 0.185 nan 8.150 nan 0.000 0.443 21 Q N -1.180 118.629 119.800 0.014 0.000 2.119 21 Q HA -0.122 4.218 4.340 0.000 0.000 0.201 21 Q C 2.341 178.328 176.000 -0.021 0.000 0.972 21 Q CA 1.514 57.315 55.803 -0.005 0.000 0.847 21 Q CB -0.121 28.605 28.738 -0.019 0.000 0.903 21 Q HN 0.657 nan 8.270 nan 0.000 0.433 22 R N -0.147 120.334 120.500 -0.031 0.000 2.153 22 R HA -0.071 4.269 4.340 0.000 0.000 0.218 22 R C 2.069 178.328 176.300 -0.068 0.000 1.072 22 R CA 0.687 56.760 56.100 -0.047 0.000 0.990 22 R CB 0.051 30.324 30.300 -0.046 0.000 0.889 22 R HN 0.169 nan 8.270 nan 0.000 0.452 23 M N 0.964 120.516 119.600 -0.080 0.000 2.086 23 M HA -0.121 4.359 4.480 0.000 0.000 0.261 23 M C 1.242 177.508 176.300 -0.057 0.000 1.067 23 M CA 1.783 57.026 55.300 -0.095 0.000 1.116 23 M CB -0.197 32.294 32.600 -0.181 0.000 1.348 23 M HN 0.082 nan 8.290 nan 0.000 0.407 24 N N 0.167 118.858 118.700 -0.015 0.000 2.109 24 N HA -0.029 4.711 4.740 0.000 0.000 0.188 24 N C 1.877 177.334 175.510 -0.087 0.000 1.034 24 N CA 1.753 54.785 53.050 -0.030 0.000 0.846 24 N CB -0.604 37.902 38.487 0.032 0.000 1.010 24 N HN 0.410 nan 8.380 nan 0.000 0.425 25 I N 0.991 121.528 120.570 -0.056 0.000 2.248 25 I HA -0.258 3.912 4.170 0.000 0.000 0.248 25 I C 2.269 178.341 176.117 -0.076 0.000 1.107 25 I CA 0.900 62.169 61.300 -0.052 0.000 1.373 25 I CB -0.151 37.828 38.000 -0.035 0.000 1.055 25 I HN 0.116 nan 8.210 nan 0.000 0.418 26 L N 0.387 121.552 121.223 -0.097 0.000 2.072 26 L HA -0.148 4.192 4.340 0.000 0.000 0.205 26 L C 2.711 179.487 176.870 -0.157 0.000 1.079 26 L CA 1.419 56.195 54.840 -0.107 0.000 0.752 26 L CB -0.274 41.725 42.059 -0.100 0.000 0.906 26 L HN 0.200 nan 8.230 nan 0.000 0.436 27 A N -0.448 122.211 122.820 -0.268 0.000 1.972 27 A HA -0.114 4.206 4.320 0.000 0.000 0.219 27 A C 2.219 179.665 177.584 -0.230 0.000 1.169 27 A CA 1.547 53.341 52.037 -0.404 0.000 0.635 27 A CB -1.141 17.241 19.000 -1.029 0.000 0.810 27 A HN 0.531 nan 8.150 nan 0.000 0.446 28 G N -0.887 107.817 108.800 -0.159 0.000 2.396 28 G HA2 -0.132 3.828 3.960 0.000 0.000 0.214 28 G HA3 -0.132 3.828 3.960 0.000 0.000 0.214 28 G C 1.726 176.584 174.900 -0.071 0.000 1.166 28 G CA 0.574 45.619 45.100 -0.091 0.000 0.793 28 G HN 0.509 nan 8.290 nan 0.000 0.533 29 R N -0.428 120.030 120.500 -0.071 0.000 2.152 29 R HA 0.118 4.458 4.340 0.000 0.000 0.232 29 R C 2.331 178.597 176.300 -0.056 0.000 1.117 29 R CA 0.771 56.837 56.100 -0.056 0.000 0.981 29 R CB -0.259 30.010 30.300 -0.051 0.000 0.870 29 R HN 0.392 nan 8.270 nan 0.000 0.451 30 I N 0.968 121.496 120.570 -0.070 0.000 2.584 30 I HA -0.142 4.028 4.170 0.000 0.000 0.255 30 I C 2.026 178.113 176.117 -0.049 0.000 1.145 30 I CA 0.790 62.054 61.300 -0.060 0.000 1.462 30 I CB 0.221 38.180 38.000 -0.069 0.000 1.102 30 I HN 0.119 nan 8.210 nan 0.000 0.433 31 I N -1.910 118.628 120.570 -0.053 0.000 3.226 31 I HA 0.124 4.294 4.170 0.000 0.000 0.277 31 I C 2.224 178.322 176.117 -0.032 0.000 1.243 31 I CA 0.925 62.203 61.300 -0.037 0.000 1.459 31 I CB -0.405 37.577 38.000 -0.031 0.000 1.093 31 I HN -0.015 nan 8.210 nan 0.000 0.453 32 A N 1.368 124.165 122.820 -0.038 0.000 2.067 32 A HA -0.023 4.297 4.320 0.000 0.000 0.217 32 A C 2.117 179.681 177.584 -0.034 0.000 1.156 32 A CA 1.032 53.048 52.037 -0.035 0.000 0.683 32 A CB -0.464 18.512 19.000 -0.039 0.000 0.808 32 A HN 0.567 nan 8.150 nan 0.000 0.455 33 E N -0.828 119.352 120.200 -0.034 0.000 2.442 33 E HA -0.033 4.317 4.350 0.000 0.000 0.195 33 E C 1.415 177.999 176.600 -0.026 0.000 1.030 33 E CA 0.831 57.212 56.400 -0.031 0.000 0.869 33 E CB 0.009 29.691 29.700 -0.031 0.000 0.857 33 E HN 0.537 nan 8.360 nan 0.000 0.505 34 T N 0.417 114.956 114.554 -0.025 0.000 2.904 34 T HA -0.091 4.259 4.350 0.000 0.000 0.267 34 T C 1.943 176.632 174.700 -0.018 0.000 1.059 34 T CA 1.231 63.319 62.100 -0.020 0.000 1.137 34 T CB 0.128 68.985 68.868 -0.018 0.000 0.879 34 T HN 0.175 nan 8.240 nan 0.000 0.467 35 V N -1.125 118.777 119.914 -0.020 0.000 3.621 35 V HA 0.356 4.476 4.120 0.000 0.000 0.285 35 V C 2.013 178.094 176.094 -0.022 0.000 1.346 35 V CA -0.001 62.288 62.300 -0.019 0.000 1.104 35 V CB -0.546 31.266 31.823 -0.017 0.000 0.913 35 V HN 0.165 nan 8.190 nan 0.000 0.432 36 R N 2.181 122.665 120.500 -0.025 0.000 2.105 36 R HA -0.124 4.216 4.340 0.000 0.000 0.239 36 R C 2.461 178.744 176.300 -0.028 0.000 1.135 36 R CA 1.917 57.999 56.100 -0.029 0.000 0.967 36 R CB -0.360 29.921 30.300 -0.031 0.000 0.861 36 R HN 0.787 nan 8.270 nan 0.000 0.442 37 S N -0.716 114.969 115.700 -0.024 0.000 2.607 37 S HA -0.064 4.406 4.470 0.000 0.000 0.224 37 S C 1.697 176.284 174.600 -0.021 0.000 0.969 37 S CA 1.048 59.234 58.200 -0.023 0.000 0.927 37 S CB 0.054 63.241 63.200 -0.021 0.000 0.772 37 S HN 0.419 nan 8.310 nan 0.000 0.533 38 T N -0.783 113.760 114.554 -0.019 0.000 3.065 38 T HA 0.314 4.664 4.350 0.000 0.000 0.252 38 T C 0.483 175.173 174.700 -0.017 0.000 1.099 38 T CA -0.389 61.702 62.100 -0.015 0.000 1.063 38 T CB -0.485 68.376 68.868 -0.011 0.000 0.948 38 T HN 0.382 nan 8.240 nan 0.000 0.506 39 L N 2.256 123.464 121.223 -0.024 0.000 2.361 39 L HA 0.538 4.878 4.340 0.000 0.000 0.278 39 L C 0.766 177.615 176.870 -0.035 0.000 1.113 39 L CA 1.039 55.863 54.840 -0.027 0.000 0.849 39 L CB -0.263 41.777 42.059 -0.032 0.000 1.155 39 L HN 0.712 nan 8.230 nan 0.000 0.452 40 G N 4.145 112.927 108.800 -0.030 0.000 2.603 40 G HA2 -0.158 3.802 3.960 0.000 0.000 0.686 40 G HA3 -0.158 3.802 3.960 0.000 0.000 0.686 40 G C -2.621 172.260 174.900 -0.031 0.000 1.286 40 G CA -0.477 44.597 45.100 -0.043 0.000 0.871 40 G HN 0.445 nan 8.290 nan 0.000 0.568 41 P HA 0.071 nan 4.420 nan 0.000 0.221 41 P C 1.288 178.573 177.300 -0.024 0.000 1.150 41 P CA 1.205 64.309 63.100 0.006 0.000 0.800 41 P CB 0.160 31.866 31.700 0.011 0.000 0.787 42 K N -0.305 120.036 120.400 -0.098 0.000 2.437 42 K HA 0.266 4.586 4.320 0.000 0.000 0.205 42 K C 1.044 177.615 176.600 -0.047 0.000 1.026 42 K CA -0.017 56.223 56.287 -0.079 0.000 1.153 42 K CB 0.252 32.670 32.500 -0.136 0.000 0.863 42 K HN 0.085 nan 8.250 nan 0.000 0.502 43 G N 0.832 109.611 108.800 -0.034 0.000 2.562 43 G HA2 0.370 4.330 3.960 0.000 0.000 0.275 43 G HA3 0.370 4.330 3.960 0.000 0.000 0.275 43 G C 0.037 174.930 174.900 -0.011 0.000 1.196 43 G CA -0.455 44.630 45.100 -0.024 0.000 0.908 43 G HN -0.052 nan 8.290 nan 0.000 0.524 44 M N 0.384 119.977 119.600 -0.011 0.000 2.644 44 M HA 0.350 4.830 4.480 0.000 0.000 0.316 44 M C -0.918 175.378 176.300 -0.006 0.000 1.200 44 M CA -0.757 54.539 55.300 -0.007 0.000 0.944 44 M CB 1.943 34.537 32.600 -0.010 0.000 1.691 44 M HN 0.361 nan 8.290 nan 0.000 0.471 45 D N 1.440 121.838 120.400 -0.004 0.000 2.340 45 D HA 0.452 5.092 4.640 0.000 0.000 0.251 45 D C -0.247 176.048 176.300 -0.008 0.000 1.080 45 D CA -0.178 53.820 54.000 -0.004 0.000 0.971 45 D CB 1.139 41.939 40.800 -0.001 0.000 1.137 45 D HN 0.177 nan 8.370 nan 0.000 0.475 46 K N 0.553 120.948 120.400 -0.009 0.000 2.259 46 K HA 0.463 4.783 4.320 0.000 0.000 0.249 46 K C -0.570 176.020 176.600 -0.017 0.000 0.942 46 K CA -0.769 55.511 56.287 -0.012 0.000 0.816 46 K CB 2.503 34.997 32.500 -0.010 0.000 1.155 46 K HN 0.402 nan 8.250 nan 0.000 0.428 47 M N 3.353 122.939 119.600 -0.022 0.000 2.114 47 M HA 0.289 4.769 4.480 0.000 0.000 0.332 47 M C -1.657 174.627 176.300 -0.026 0.000 1.014 47 M CA -0.882 54.398 55.300 -0.033 0.000 0.956 47 M CB 0.505 33.079 32.600 -0.045 0.000 1.551 47 M HN 0.363 nan 8.290 nan 0.000 0.427 48 L N 6.244 127.453 121.223 -0.023 0.000 2.287 48 L HA 0.596 4.936 4.340 0.000 0.000 0.287 48 L C -0.812 176.051 176.870 -0.012 0.000 1.022 48 L CA -0.343 54.490 54.840 -0.012 0.000 0.814 48 L CB 1.712 43.770 42.059 -0.002 0.000 1.217 48 L HN 0.454 nan 8.230 nan 0.000 0.420 49 V N 1.995 121.903 119.914 -0.009 0.000 2.581 49 V HA 0.590 4.710 4.120 0.000 0.000 0.303 49 V C -0.337 175.759 176.094 0.002 0.000 1.041 49 V CA -0.774 61.523 62.300 -0.005 0.000 0.907 49 V CB 1.859 33.676 31.823 -0.010 0.000 0.994 49 V HN 0.820 nan 8.190 nan 0.000 0.442 50 D N 1.571 121.975 120.400 0.007 0.000 2.589 50 D HA 0.220 4.860 4.640 0.000 0.000 0.268 50 D C 0.567 176.871 176.300 0.008 0.000 1.182 50 D CA -0.197 53.808 54.000 0.009 0.000 1.087 50 D CB 0.334 41.142 40.800 0.012 0.000 1.186 50 D HN 0.516 nan 8.370 nan 0.000 0.620 51 D N -0.925 119.481 120.400 0.009 0.000 2.224 51 D HA -0.058 4.582 4.640 0.000 0.000 0.205 51 D C 1.789 178.094 176.300 0.008 0.000 0.965 51 D CA 0.671 54.676 54.000 0.008 0.000 0.852 51 D CB -0.328 40.476 40.800 0.007 0.000 0.947 51 D HN 0.254 nan 8.370 nan 0.000 0.494 52 L N -0.815 120.414 121.223 0.011 0.000 2.529 52 L HA 0.329 4.669 4.340 0.000 0.000 0.223 52 L C 1.644 178.522 176.870 0.014 0.000 1.113 52 L CA 0.540 55.388 54.840 0.012 0.000 0.861 52 L CB 0.141 42.208 42.059 0.013 0.000 1.012 52 L HN 0.396 nan 8.230 nan 0.000 0.461 53 G N -0.744 108.064 108.800 0.013 0.000 2.176 53 G HA2 -0.217 3.743 3.960 0.000 0.000 0.232 53 G HA3 -0.217 3.743 3.960 0.000 0.000 0.232 53 G C -0.138 174.775 174.900 0.021 0.000 0.986 53 G CA -0.269 44.839 45.100 0.013 0.000 0.643 53 G HN 0.274 nan 8.290 nan 0.000 0.522 54 D N 0.683 121.100 120.400 0.029 0.000 2.371 54 D HA 0.387 5.027 4.640 0.000 0.000 0.256 54 D C 0.368 176.695 176.300 0.045 0.000 1.193 54 D CA 0.254 54.283 54.000 0.049 0.000 0.881 54 D CB 2.022 42.850 40.800 0.047 0.000 1.143 54 D HN 0.337 nan 8.370 nan 0.000 0.473 55 V N 3.495 123.441 119.914 0.054 0.000 2.472 55 V HA 0.482 4.602 4.120 0.000 0.000 0.290 55 V C -0.752 175.359 176.094 0.027 0.000 1.037 55 V CA -0.502 61.791 62.300 -0.012 0.000 0.908 55 V CB 1.944 33.698 31.823 -0.115 0.000 0.985 55 V HN 0.239 nan 8.190 nan 0.000 0.454 56 V N 7.044 126.962 119.914 0.006 0.000 2.525 56 V HA 0.544 4.664 4.120 0.000 0.000 0.299 56 V C -0.701 175.389 176.094 -0.005 0.000 1.034 56 V CA -0.305 62.023 62.300 0.048 0.000 0.863 56 V CB 2.247 34.123 31.823 0.089 0.000 0.999 56 V HN 0.765 nan 8.190 nan 0.000 0.423 57 V N 6.060 125.964 119.914 -0.017 0.000 2.370 57 V HA 0.708 4.828 4.120 0.000 0.000 0.279 57 V C 0.215 176.318 176.094 0.015 0.000 1.029 57 V CA 0.059 62.346 62.300 -0.021 0.000 0.870 57 V CB 1.431 33.225 31.823 -0.049 0.000 0.984 57 V HN 0.977 nan 8.190 nan 0.000 0.451 58 T N 2.897 117.457 114.554 0.009 0.000 2.853 58 T HA 0.296 4.646 4.350 0.000 0.000 0.311 58 T C 0.268 174.973 174.700 0.008 0.000 1.307 58 T CA -0.519 61.589 62.100 0.015 0.000 1.019 58 T CB 1.966 70.845 68.868 0.019 0.000 1.264 58 T HN 0.609 nan 8.240 nan 0.000 0.497 59 N N 1.316 120.022 118.700 0.009 0.000 2.220 59 N HA 0.063 4.803 4.740 0.000 0.000 0.195 59 N C -0.407 175.106 175.510 0.004 0.000 1.123 59 N CA -0.040 53.013 53.050 0.005 0.000 0.874 59 N CB 0.373 38.864 38.487 0.008 0.000 0.995 59 N HN 0.620 nan 8.380 nan 0.000 0.498 60 D N -0.244 120.160 120.400 0.007 0.000 2.401 60 D HA 0.158 4.798 4.640 0.000 0.000 0.254 60 D C 1.343 177.644 176.300 0.002 0.000 1.192 60 D CA 0.161 54.164 54.000 0.005 0.000 0.885 60 D CB 1.173 41.978 40.800 0.008 0.000 1.147 60 D HN 0.268 nan 8.370 nan 0.000 0.478 61 G N 2.604 111.403 108.800 -0.001 0.000 2.453 61 G HA2 -0.230 3.730 3.960 0.000 0.000 0.215 61 G HA3 -0.230 3.730 3.960 0.000 0.000 0.215 61 G C 1.572 176.471 174.900 -0.002 0.000 1.201 61 G CA 0.665 45.763 45.100 -0.003 0.000 0.784 61 G HN 0.491 nan 8.290 nan 0.000 0.545 62 V N 1.878 121.792 119.914 -0.000 0.000 2.324 62 V HA -0.221 3.900 4.120 0.000 0.000 0.250 62 V C 3.280 179.376 176.094 0.003 0.000 1.060 62 V CA 3.375 65.675 62.300 0.001 0.000 1.042 62 V CB -0.879 30.945 31.823 0.002 0.000 0.650 62 V HN 0.641 nan 8.190 nan 0.000 0.450 63 T N -1.999 112.558 114.554 0.005 0.000 2.915 63 T HA -0.107 4.243 4.350 0.000 0.000 0.269 63 T C 1.768 176.473 174.700 0.008 0.000 1.071 63 T CA 1.790 63.895 62.100 0.008 0.000 1.132 63 T CB -0.497 68.377 68.868 0.011 0.000 0.878 63 T HN 0.519 nan 8.240 nan 0.000 0.479 64 I N 0.827 121.400 120.570 0.005 0.000 2.162 64 I HA -0.048 4.122 4.170 0.000 0.000 0.238 64 I C 2.528 178.647 176.117 0.003 0.000 1.076 64 I CA 1.164 62.466 61.300 0.003 0.000 1.353 64 I CB -0.378 37.621 38.000 -0.001 0.000 1.063 64 I HN 0.178 nan 8.210 nan 0.000 0.408 65 L N 0.141 121.365 121.223 0.002 0.000 2.083 65 L HA -0.200 4.140 4.340 0.000 0.000 0.209 65 L C 2.780 179.654 176.870 0.006 0.000 1.083 65 L CA 1.375 56.216 54.840 0.003 0.000 0.752 65 L CB -0.621 41.438 42.059 0.001 0.000 0.899 65 L HN 0.173 nan 8.230 nan 0.000 0.433 66 R N 0.300 120.804 120.500 0.007 0.000 2.066 66 R HA -0.102 4.238 4.340 0.000 0.000 0.232 66 R C 0.909 177.214 176.300 0.009 0.000 1.131 66 R CA 1.152 57.257 56.100 0.008 0.000 0.955 66 R CB -0.071 30.234 30.300 0.008 0.000 0.851 66 R HN 0.407 nan 8.270 nan 0.000 0.432 67 E N 0.962 121.168 120.200 0.009 0.000 2.338 67 E HA 0.107 4.457 4.350 0.000 0.000 0.231 67 E C -0.294 176.312 176.600 0.010 0.000 1.231 67 E CA -0.195 56.212 56.400 0.011 0.000 1.490 67 E CB 0.355 30.063 29.700 0.013 0.000 1.360 67 E HN 0.263 nan 8.360 nan 0.000 0.435 68 M N -2.331 117.275 119.600 0.009 0.000 2.446 68 M HA 0.477 4.957 4.480 0.000 0.000 0.294 68 M C -0.775 175.532 176.300 0.011 0.000 1.158 68 M CA -0.795 54.511 55.300 0.009 0.000 0.899 68 M CB 2.146 34.750 32.600 0.006 0.000 1.687 68 M HN -0.331 nan 8.290 nan 0.000 0.455 69 S N 2.520 118.227 115.700 0.012 0.000 2.686 69 S HA 0.330 4.800 4.470 0.000 0.000 0.324 69 S C -0.262 174.350 174.600 0.020 0.000 1.172 69 S CA -0.513 57.696 58.200 0.015 0.000 1.127 69 S CB -0.651 62.557 63.200 0.014 0.000 1.338 69 S HN 0.455 nan 8.310 nan 0.000 0.547 70 V N 3.972 123.901 119.914 0.024 0.000 2.394 70 V HA 0.327 4.447 4.120 0.000 0.000 0.282 70 V C 0.786 176.906 176.094 0.044 0.000 1.031 70 V CA -0.414 61.907 62.300 0.035 0.000 0.881 70 V CB 1.608 33.450 31.823 0.032 0.000 0.982 70 V HN 0.660 nan 8.190 nan 0.000 0.451 71 E N 1.026 121.262 120.200 0.060 0.000 2.453 71 E HA 0.081 4.431 4.350 0.000 0.000 0.211 71 E C 0.535 177.178 176.600 0.072 0.000 0.897 71 E CA -0.060 56.370 56.400 0.051 0.000 1.063 71 E CB 0.245 29.963 29.700 0.031 0.000 1.080 71 E HN 0.691 nan 8.360 nan 0.000 0.512 72 H N 3.903 122.981 119.070 0.013 0.000 2.955 72 H HA 0.039 4.595 4.556 0.000 0.000 0.290 72 H C -1.539 173.799 175.328 0.018 0.000 1.047 72 H CA -1.636 54.422 56.048 0.016 0.000 1.484 72 H CB 1.179 30.944 29.762 0.005 0.000 1.501 72 H HN -0.136 nan 8.280 nan 0.000 0.521 73 P HA -0.207 nan 4.420 nan 0.000 0.217 73 P C 1.103 178.523 177.300 0.200 0.000 1.151 73 P CA 1.911 65.095 63.100 0.139 0.000 0.849 73 P CB 0.115 31.852 31.700 0.061 0.000 0.787 74 A N 0.000 123.031 122.820 0.351 0.000 1.968 74 A HA 0.062 4.382 4.320 0.000 0.000 0.217 74 A C 2.456 180.069 177.584 0.049 0.000 1.169 74 A CA 1.787 53.911 52.037 0.145 0.000 0.638 74 A CB -1.334 17.710 19.000 0.075 0.000 0.812 74 A HN 0.232 nan 8.150 nan 0.000 0.446 75 A N 0.162 123.003 122.820 0.036 0.000 1.898 75 A HA -0.122 4.198 4.320 0.000 0.000 0.216 75 A C 2.040 179.643 177.584 0.032 0.000 1.181 75 A CA 1.705 53.743 52.037 0.001 0.000 0.620 75 A CB -0.445 18.548 19.000 -0.011 0.000 0.819 75 A HN 0.503 nan 8.150 nan 0.000 0.442 76 K N -0.949 119.487 120.400 0.061 0.000 2.160 76 K HA -0.105 4.215 4.320 0.000 0.000 0.206 76 K C 1.827 178.448 176.600 0.035 0.000 1.047 76 K CA 1.778 58.092 56.287 0.045 0.000 0.930 76 K CB -0.249 32.281 32.500 0.050 0.000 0.720 76 K HN 0.508 nan 8.250 nan 0.000 0.450 77 M N -0.381 119.242 119.600 0.039 0.000 2.514 77 M HA -0.024 4.456 4.480 0.000 0.000 0.258 77 M C 1.481 177.795 176.300 0.023 0.000 1.119 77 M CA 0.550 55.870 55.300 0.033 0.000 1.111 77 M CB 0.314 32.938 32.600 0.040 0.000 1.390 77 M HN 0.071 nan 8.290 nan 0.000 0.475 78 L N -0.252 120.980 121.223 0.016 0.000 2.477 78 L HA 0.131 4.471 4.340 0.000 0.000 0.220 78 L C 1.770 178.643 176.870 0.004 0.000 1.106 78 L CA 0.867 55.711 54.840 0.007 0.000 0.851 78 L CB -0.023 42.033 42.059 -0.005 0.000 0.994 78 L HN 0.183 nan 8.230 nan 0.000 0.462 79 I N -0.787 119.788 120.570 0.008 0.000 2.394 79 I HA -0.193 3.977 4.170 0.000 0.000 0.251 79 I C 2.010 178.132 176.117 0.009 0.000 1.136 79 I CA 0.642 61.946 61.300 0.007 0.000 1.425 79 I CB -0.244 37.762 38.000 0.010 0.000 1.079 79 I HN 0.245 nan 8.210 nan 0.000 0.425 80 E N 0.550 120.757 120.200 0.012 0.000 2.219 80 E HA -0.188 4.162 4.350 0.000 0.000 0.198 80 E C 2.366 178.973 176.600 0.011 0.000 0.998 80 E CA 1.191 57.599 56.400 0.013 0.000 0.818 80 E CB -0.236 29.474 29.700 0.017 0.000 0.741 80 E HN 0.381 nan 8.360 nan 0.000 0.477 81 V N 1.116 121.036 119.914 0.009 0.000 2.453 81 V HA -0.183 3.937 4.120 0.000 0.000 0.247 81 V C 2.346 178.442 176.094 0.003 0.000 1.048 81 V CA 1.671 63.975 62.300 0.007 0.000 1.049 81 V CB -0.553 31.273 31.823 0.005 0.000 0.672 81 V HN 0.254 nan 8.190 nan 0.000 0.457 82 A N -0.519 122.302 122.820 0.001 0.000 1.898 82 A HA -0.137 4.183 4.320 0.000 0.000 0.214 82 A C 2.307 179.892 177.584 0.002 0.000 1.183 82 A CA 1.571 53.608 52.037 -0.000 0.000 0.622 82 A CB -0.375 18.624 19.000 -0.002 0.000 0.824 82 A HN 0.448 nan 8.150 nan 0.000 0.444 83 K N -0.176 120.227 120.400 0.004 0.000 2.097 83 K HA -0.142 4.178 4.320 0.000 0.000 0.206 83 K C 1.746 178.350 176.600 0.005 0.000 1.049 83 K CA 1.811 58.101 56.287 0.005 0.000 0.933 83 K CB -0.174 32.330 32.500 0.007 0.000 0.717 83 K HN 0.612 nan 8.250 nan 0.000 0.442 84 T N -2.216 112.342 114.554 0.006 0.000 3.144 84 T HA 0.029 4.379 4.350 0.000 0.000 0.249 84 T C 1.428 176.131 174.700 0.005 0.000 1.089 84 T CA 0.081 62.184 62.100 0.006 0.000 0.989 84 T CB 0.519 69.392 68.868 0.008 0.000 0.992 84 T HN 0.158 nan 8.240 nan 0.000 0.540 85 Q N 1.994 121.796 119.800 0.004 0.000 2.165 85 Q HA 0.029 4.369 4.340 0.000 0.000 0.197 85 Q C 2.205 178.206 176.000 0.002 0.000 0.952 85 Q CA 1.452 57.256 55.803 0.002 0.000 0.848 85 Q CB -0.109 28.630 28.738 0.000 0.000 0.931 85 Q HN 0.816 nan 8.270 nan 0.000 0.470 86 E N -0.239 119.962 120.200 0.001 0.000 2.150 86 E HA -0.240 4.111 4.350 0.000 0.000 0.193 86 E C 1.755 178.355 176.600 0.001 0.000 0.985 86 E CA 1.256 57.657 56.400 0.001 0.000 0.814 86 E CB -0.172 29.529 29.700 0.001 0.000 0.752 86 E HN 0.072 nan 8.360 nan 0.000 0.466 87 K N 0.596 120.997 120.400 0.002 0.000 2.097 87 K HA -0.107 4.213 4.320 0.000 0.000 0.205 87 K C 1.844 178.444 176.600 0.001 0.000 1.050 87 K CA 1.490 57.778 56.287 0.001 0.000 0.938 87 K CB 0.255 32.756 32.500 0.003 0.000 0.718 87 K HN 0.127 nan 8.250 nan 0.000 0.442 88 E N -1.195 119.006 120.200 0.002 0.000 2.340 88 E HA 0.064 4.414 4.350 0.000 0.000 0.198 88 E C 1.474 178.074 176.600 0.001 0.000 0.961 88 E CA 0.533 56.934 56.400 0.002 0.000 0.905 88 E CB 0.809 30.511 29.700 0.003 0.000 0.884 88 E HN 0.110 nan 8.360 nan 0.000 0.491 89 V N -1.412 118.503 119.914 0.001 0.000 3.029 89 V HA 0.335 4.455 4.120 0.000 0.000 0.230 89 V C 1.551 177.645 176.094 0.000 0.000 1.254 89 V CA 0.896 63.196 62.300 0.001 0.000 1.276 89 V CB 0.792 32.615 31.823 0.001 0.000 1.080 89 V HN 0.323 nan 8.190 nan 0.000 0.495 90 G N 0.464 109.264 108.800 0.000 0.000 2.339 90 G HA2 -0.178 3.782 3.960 0.000 0.000 0.209 90 G HA3 -0.178 3.782 3.960 0.000 0.000 0.209 90 G C -0.149 174.752 174.900 0.001 0.000 1.015 90 G CA 0.295 45.395 45.100 0.000 0.000 0.635 90 G HN 0.577 nan 8.290 nan 0.000 0.499 91 D N -0.949 119.452 120.400 0.001 0.000 2.547 91 D HA 0.599 5.239 4.640 0.000 0.000 0.231 91 D C 0.913 177.213 176.300 0.000 0.000 1.099 91 D CA 0.793 54.794 54.000 0.002 0.000 0.901 91 D CB 1.116 41.918 40.800 0.003 0.000 1.478 91 D HN 1.424 nan 8.370 nan 0.000 0.471 92 G N 0.839 109.639 108.800 -0.001 0.000 2.131 92 G HA2 -0.288 3.672 3.960 0.000 0.000 0.223 92 G HA3 -0.288 3.672 3.960 0.000 0.000 0.223 92 G C 0.985 175.881 174.900 -0.007 0.000 0.990 92 G CA 1.018 46.115 45.100 -0.005 0.000 0.671 92 G HN 0.751 nan 8.290 nan 0.000 0.521 93 T N -2.863 111.688 114.554 -0.005 0.000 2.821 93 T HA -0.052 4.298 4.350 0.000 0.000 0.267 93 T C 2.233 176.927 174.700 -0.010 0.000 1.046 93 T CA 2.501 64.597 62.100 -0.006 0.000 1.139 93 T CB -0.459 68.408 68.868 -0.003 0.000 0.871 93 T HN 0.289 nan 8.240 nan 0.000 0.454 94 T N 2.588 117.135 114.554 -0.011 0.000 2.812 94 T HA -0.074 4.277 4.350 0.000 0.000 0.264 94 T C 2.452 177.138 174.700 -0.023 0.000 1.042 94 T CA 1.841 63.931 62.100 -0.016 0.000 1.140 94 T CB -0.888 67.971 68.868 -0.016 0.000 0.870 94 T HN 0.794 nan 8.240 nan 0.000 0.445 95 T N 1.185 115.725 114.554 -0.023 0.000 2.833 95 T HA 0.034 4.384 4.350 0.000 0.000 0.269 95 T C 2.250 176.928 174.700 -0.036 0.000 1.054 95 T CA 1.015 63.097 62.100 -0.031 0.000 1.135 95 T CB -0.525 68.327 68.868 -0.027 0.000 0.869 95 T HN 0.340 nan 8.240 nan 0.000 0.466 96 A N 0.943 123.747 122.820 -0.027 0.000 1.929 96 A HA 0.159 4.479 4.320 0.000 0.000 0.216 96 A C 2.581 180.145 177.584 -0.032 0.000 1.176 96 A CA 1.264 53.284 52.037 -0.027 0.000 0.628 96 A CB -0.836 18.155 19.000 -0.015 0.000 0.816 96 A HN 0.414 nan 8.150 nan 0.000 0.444 97 V N -0.614 119.283 119.914 -0.028 0.000 2.407 97 V HA -0.156 3.965 4.120 0.000 0.000 0.245 97 V C 2.514 178.584 176.094 -0.040 0.000 1.041 97 V CA 1.682 63.964 62.300 -0.029 0.000 1.040 97 V CB -0.493 31.317 31.823 -0.022 0.000 0.671 97 V HN 0.338 nan 8.190 nan 0.000 0.455 98 V N -0.269 119.619 119.914 -0.044 0.000 2.490 98 V HA -0.190 3.930 4.120 0.000 0.000 0.250 98 V C 2.371 178.422 176.094 -0.072 0.000 1.061 98 V CA 1.649 63.917 62.300 -0.052 0.000 1.064 98 V CB -0.184 31.610 31.823 -0.049 0.000 0.670 98 V HN 0.402 nan 8.190 nan 0.000 0.461 99 V N 0.099 119.962 119.914 -0.084 0.000 2.323 99 V HA -0.170 3.950 4.120 0.000 0.000 0.244 99 V C 2.691 178.702 176.094 -0.139 0.000 1.041 99 V CA 1.757 63.979 62.300 -0.129 0.000 1.025 99 V CB -0.916 30.822 31.823 -0.142 0.000 0.656 99 V HN 0.546 nan 8.190 nan 0.000 0.451 100 A N 0.534 123.299 122.820 -0.093 0.000 1.940 100 A HA -0.153 4.167 4.320 0.000 0.000 0.219 100 A C 2.376 179.930 177.584 -0.049 0.000 1.176 100 A CA 2.112 54.111 52.037 -0.063 0.000 0.631 100 A CB -1.173 17.808 19.000 -0.030 0.000 0.814 100 A HN 0.540 nan 8.150 nan 0.000 0.446 101 G N -0.766 108.003 108.800 -0.052 0.000 2.404 101 G HA2 -0.200 3.760 3.960 0.000 0.000 0.215 101 G HA3 -0.200 3.760 3.960 0.000 0.000 0.215 101 G C 1.447 176.319 174.900 -0.047 0.000 1.174 101 G CA 1.173 46.246 45.100 -0.045 0.000 0.780 101 G HN 0.570 nan 8.290 nan 0.000 0.537 102 E N -0.052 120.106 120.200 -0.069 0.000 2.347 102 E HA 0.111 4.461 4.350 0.000 0.000 0.196 102 E C 2.387 178.941 176.600 -0.076 0.000 1.008 102 E CA 0.194 56.550 56.400 -0.073 0.000 0.852 102 E CB -0.233 29.410 29.700 -0.095 0.000 0.783 102 E HN 0.444 nan 8.360 nan 0.000 0.505 103 L N -0.271 120.893 121.223 -0.098 0.000 2.240 103 L HA -0.058 4.282 4.340 0.000 0.000 0.211 103 L C 2.062 179.010 176.870 0.130 0.000 1.106 103 L CA 0.537 55.347 54.840 -0.050 0.000 0.793 103 L CB -0.151 41.822 42.059 -0.143 0.000 0.927 103 L HN 0.239 nan 8.230 nan 0.000 0.446 104 L N -0.751 120.507 121.223 0.059 0.000 2.095 104 L HA -0.140 4.200 4.340 0.000 0.000 0.204 104 L C 2.789 179.678 176.870 0.031 0.000 1.080 104 L CA 0.891 55.762 54.840 0.052 0.000 0.759 104 L CB -0.389 41.678 42.059 0.014 0.000 0.914 104 L HN 0.214 nan 8.230 nan 0.000 0.439 105 R N 0.443 120.950 120.500 0.011 0.000 2.073 105 R HA -0.159 4.181 4.340 0.000 0.000 0.234 105 R C 2.094 178.408 176.300 0.022 0.000 1.134 105 R CA 1.283 57.385 56.100 0.003 0.000 0.952 105 R CB 0.050 30.343 30.300 -0.012 0.000 0.850 105 R HN 0.103 nan 8.270 nan 0.000 0.433 106 K N -0.022 120.405 120.400 0.045 0.000 2.442 106 K HA -0.032 4.288 4.320 0.000 0.000 0.198 106 K C 1.613 178.275 176.600 0.103 0.000 1.042 106 K CA 0.968 57.299 56.287 0.074 0.000 0.958 106 K CB 0.178 32.729 32.500 0.086 0.000 0.766 106 K HN 0.297 nan 8.250 nan 0.000 0.474 107 A N 1.534 124.410 122.820 0.094 0.000 1.943 107 A HA -0.113 4.207 4.320 0.000 0.000 0.213 107 A C 1.977 179.553 177.584 -0.013 0.000 1.181 107 A CA 0.857 52.908 52.037 0.024 0.000 0.653 107 A CB -0.137 18.863 19.000 -0.000 0.000 0.833 107 A HN 0.446 nan 8.150 nan 0.000 0.451 108 E N 0.314 120.512 120.200 -0.003 0.000 2.285 108 E HA -0.131 4.219 4.350 0.000 0.000 0.194 108 E C 1.310 177.904 176.600 -0.009 0.000 0.997 108 E CA 1.010 57.401 56.400 -0.014 0.000 0.845 108 E CB -0.324 29.366 29.700 -0.016 0.000 0.782 108 E HN 0.690 nan 8.360 nan 0.000 0.491 109 E N 0.851 121.052 120.200 0.002 0.000 2.204 109 E HA -0.088 4.262 4.350 0.000 0.000 0.194 109 E C 1.979 178.582 176.600 0.004 0.000 0.989 109 E CA 0.825 57.228 56.400 0.005 0.000 0.824 109 E CB 0.007 29.715 29.700 0.014 0.000 0.756 109 E HN 0.394 nan 8.360 nan 0.000 0.477 110 L N 0.100 121.324 121.223 0.001 0.000 2.249 110 L HA -0.025 4.315 4.340 0.000 0.000 0.207 110 L C 2.196 179.056 176.870 -0.017 0.000 1.090 110 L CA 0.394 55.232 54.840 -0.004 0.000 0.802 110 L CB -0.099 41.954 42.059 -0.011 0.000 0.947 110 L HN 0.131 nan 8.230 nan 0.000 0.453 111 L N -0.366 120.840 121.223 -0.028 0.000 2.217 111 L HA -0.132 4.209 4.340 0.000 0.000 0.211 111 L C 1.450 178.302 176.870 -0.029 0.000 1.107 111 L CA 0.840 55.657 54.840 -0.038 0.000 0.783 111 L CB -0.325 41.706 42.059 -0.047 0.000 0.919 111 L HN 0.206 nan 8.230 nan 0.000 0.442 112 D N -0.673 119.715 120.400 -0.020 0.000 2.347 112 D HA -0.086 4.554 4.640 0.000 0.000 0.213 112 D C 1.573 177.867 176.300 -0.010 0.000 0.985 112 D CA 0.602 54.593 54.000 -0.016 0.000 0.879 112 D CB 0.192 40.984 40.800 -0.013 0.000 0.919 112 D HN 0.289 nan 8.370 nan 0.000 0.526 113 Q N 0.125 119.921 119.800 -0.008 0.000 2.222 113 Q HA 0.163 4.503 4.340 0.000 0.000 0.206 113 Q C -0.143 175.855 176.000 -0.002 0.000 0.877 113 Q CA -0.119 55.683 55.803 -0.003 0.000 0.958 113 Q CB 0.378 29.118 28.738 0.002 0.000 1.075 113 Q HN 0.131 nan 8.270 nan 0.000 0.483 114 N N -0.791 117.904 118.700 -0.008 0.000 2.850 114 N HA -0.138 4.602 4.740 0.000 0.000 0.249 114 N C -0.711 174.801 175.510 0.004 0.000 1.060 114 N CA 0.496 53.541 53.050 -0.008 0.000 0.825 114 N CB -1.494 36.993 38.487 0.000 0.000 1.132 114 N HN 0.052 nan 8.380 nan 0.000 0.564 115 V N 2.462 122.379 119.914 0.004 0.000 2.446 115 V HA -0.002 4.118 4.120 0.000 0.000 0.276 115 V C 1.257 177.370 176.094 0.032 0.000 1.030 115 V CA -0.191 62.123 62.300 0.023 0.000 1.033 115 V CB 0.622 32.450 31.823 0.009 0.000 0.993 115 V HN 0.228 nan 8.190 nan 0.000 0.477 116 H N 8.375 127.430 119.070 -0.024 0.000 3.064 116 H HA 0.008 4.564 4.556 0.000 0.000 0.329 116 H C -1.599 173.706 175.328 -0.038 0.000 1.020 116 H CA -1.077 54.956 56.048 -0.025 0.000 1.402 116 H CB 1.522 31.273 29.762 -0.019 0.000 1.379 116 H HN 0.396 nan 8.280 nan 0.000 0.594 117 P HA -0.151 nan 4.420 nan 0.000 0.218 117 P C 1.416 178.776 177.300 0.100 0.000 1.146 117 P CA 2.223 65.330 63.100 0.012 0.000 0.813 117 P CB 0.089 31.758 31.700 -0.051 0.000 0.778 118 T N -3.753 110.977 114.554 0.293 0.000 2.951 118 T HA -0.049 4.301 4.350 0.000 0.000 0.268 118 T C 1.676 176.402 174.700 0.043 0.000 1.073 118 T CA 0.753 62.929 62.100 0.127 0.000 1.134 118 T CB -0.796 68.103 68.868 0.053 0.000 0.884 118 T HN -0.087 nan 8.240 nan 0.000 0.479 119 I N 1.193 121.794 120.570 0.052 0.000 2.500 119 I HA 0.032 4.202 4.170 0.000 0.000 0.252 119 I C 2.566 178.677 176.117 -0.010 0.000 1.142 119 I CA 0.336 61.643 61.300 0.013 0.000 1.451 119 I CB -1.102 36.911 38.000 0.022 0.000 1.093 119 I HN 0.185 nan 8.210 nan 0.000 0.430 120 V N 0.336 120.222 119.914 -0.046 0.000 2.283 120 V HA -0.173 3.948 4.120 0.000 0.000 0.243 120 V C 2.555 178.519 176.094 -0.216 0.000 1.039 120 V CA 1.331 63.526 62.300 -0.176 0.000 1.016 120 V CB -0.474 31.197 31.823 -0.254 0.000 0.650 120 V HN 0.248 nan 8.190 nan 0.000 0.449 121 V N -0.108 119.731 119.914 -0.125 0.000 2.720 121 V HA -0.241 3.879 4.120 0.000 0.000 0.256 121 V C 2.408 178.531 176.094 0.048 0.000 1.082 121 V CA 2.407 64.690 62.300 -0.029 0.000 1.101 121 V CB -0.379 31.448 31.823 0.005 0.000 0.693 121 V HN 0.586 nan 8.190 nan 0.000 0.479 122 K N -0.363 120.054 120.400 0.029 0.000 2.031 122 K HA -0.032 4.288 4.320 0.000 0.000 0.205 122 K C 2.064 178.701 176.600 0.063 0.000 1.049 122 K CA 1.415 57.724 56.287 0.038 0.000 0.939 122 K CB -0.572 31.938 32.500 0.017 0.000 0.717 122 K HN 0.521 nan 8.250 nan 0.000 0.438 123 G N -0.491 108.357 108.800 0.080 0.000 2.421 123 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 123 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 123 G C 1.285 176.310 174.900 0.207 0.000 1.143 123 G CA 0.493 45.667 45.100 0.123 0.000 0.784 123 G HN 0.354 nan 8.290 nan 0.000 0.541 124 Y N -0.025 120.295 120.300 0.033 0.000 2.293 124 Y HA -0.114 4.436 4.550 0.000 0.000 0.291 124 Y C 3.093 178.923 175.900 -0.116 0.000 1.137 124 Y CA 1.159 59.289 58.100 0.050 0.000 1.202 124 Y CB 0.203 38.781 38.460 0.196 0.000 0.990 124 Y HN 0.252 nan 8.280 nan 0.000 0.537 125 Q N 0.012 119.875 119.800 0.105 0.000 2.163 125 Q HA -0.106 4.234 4.340 0.000 0.000 0.198 125 Q C 2.314 178.277 176.000 -0.061 0.000 0.954 125 Q CA 0.858 56.667 55.803 0.010 0.000 0.851 125 Q CB -0.026 28.739 28.738 0.044 0.000 0.928 125 Q HN 0.443 nan 8.270 nan 0.000 0.459 126 A N 0.521 123.327 122.820 -0.023 0.000 2.015 126 A HA -0.038 4.282 4.320 0.000 0.000 0.219 126 A C 2.114 179.664 177.584 -0.056 0.000 1.163 126 A CA 1.466 53.505 52.037 0.004 0.000 0.646 126 A CB -0.498 18.546 19.000 0.074 0.000 0.806 126 A HN 0.489 nan 8.150 nan 0.000 0.448 127 A N -0.517 122.176 122.820 -0.212 0.000 1.935 127 A HA 0.386 4.706 4.320 0.000 0.000 0.214 127 A C 2.355 179.529 177.584 -0.684 0.000 1.178 127 A CA 1.399 53.174 52.037 -0.436 0.000 0.640 127 A CB -0.674 17.942 19.000 -0.640 0.000 0.825 127 A HN 0.912 nan 8.150 nan 0.000 0.447 128 A N -0.909 121.470 122.820 -0.735 0.000 2.067 128 A HA -0.053 4.267 4.320 0.000 0.000 0.217 128 A C 2.044 179.505 177.584 -0.205 0.000 1.156 128 A CA 1.481 53.256 52.037 -0.436 0.000 0.683 128 A CB -0.359 18.518 19.000 -0.204 0.000 0.808 128 A HN 0.591 nan 8.150 nan 0.000 0.455 129 Q N -0.360 119.328 119.800 -0.187 0.000 2.020 129 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 129 Q C 2.107 178.002 176.000 -0.174 0.000 0.982 129 Q CA 1.993 57.717 55.803 -0.132 0.000 0.838 129 Q CB -0.116 28.563 28.738 -0.097 0.000 0.899 129 Q HN 0.451 nan 8.270 nan 0.000 0.423 130 K N 0.097 120.333 120.400 -0.274 0.000 2.147 130 K HA -0.093 4.227 4.320 0.000 0.000 0.205 130 K C 1.609 178.051 176.600 -0.264 0.000 1.049 130 K CA 1.386 57.440 56.287 -0.389 0.000 0.936 130 K CB -0.395 31.611 32.500 -0.823 0.000 0.722 130 K HN 0.277 nan 8.250 nan 0.000 0.446 131 A N 0.204 122.900 122.820 -0.207 0.000 1.969 131 A HA -0.129 4.191 4.320 0.000 0.000 0.218 131 A C 1.974 179.521 177.584 -0.063 0.000 1.169 131 A CA 1.150 53.128 52.037 -0.099 0.000 0.635 131 A CB -0.364 18.623 19.000 -0.021 0.000 0.810 131 A HN 0.316 nan 8.150 nan 0.000 0.445 132 Q N 0.021 119.778 119.800 -0.072 0.000 2.083 132 Q HA -0.170 4.170 4.340 0.000 0.000 0.198 132 Q C 1.907 177.877 176.000 -0.051 0.000 0.969 132 Q CA 1.697 57.472 55.803 -0.046 0.000 0.838 132 Q CB -0.332 28.380 28.738 -0.042 0.000 0.900 132 Q HN 1.001 nan 8.270 nan 0.000 0.436 133 E N -0.148 120.007 120.200 -0.075 0.000 2.435 133 E HA -0.022 4.328 4.350 0.000 0.000 0.195 133 E C 1.867 178.427 176.600 -0.066 0.000 1.029 133 E CA 0.128 56.488 56.400 -0.067 0.000 0.865 133 E CB -0.090 29.564 29.700 -0.075 0.000 0.833 133 E HN 0.236 nan 8.360 nan 0.000 0.510 134 L N 0.515 121.691 121.223 -0.078 0.000 2.270 134 L HA 0.029 4.369 4.340 0.000 0.000 0.210 134 L C 2.354 179.207 176.870 -0.029 0.000 1.104 134 L CA 0.389 55.194 54.840 -0.057 0.000 0.804 134 L CB -0.041 41.976 42.059 -0.071 0.000 0.937 134 L HN 0.170 nan 8.230 nan 0.000 0.450 135 L N -0.501 120.707 121.223 -0.025 0.000 2.291 135 L HA -0.154 4.186 4.340 0.000 0.000 0.214 135 L C 2.371 179.236 176.870 -0.009 0.000 1.120 135 L CA 1.008 55.842 54.840 -0.010 0.000 0.799 135 L CB -0.213 41.843 42.059 -0.005 0.000 0.925 135 L HN 0.191 nan 8.230 nan 0.000 0.446 136 K N -0.548 119.842 120.400 -0.015 0.000 2.155 136 K HA -0.116 4.204 4.320 0.000 0.000 0.203 136 K C 2.123 178.718 176.600 -0.010 0.000 1.052 136 K CA 1.777 58.056 56.287 -0.012 0.000 0.948 136 K CB -0.135 32.355 32.500 -0.016 0.000 0.728 136 K HN 0.424 nan 8.250 nan 0.000 0.448 137 T N -0.151 114.396 114.554 -0.012 0.000 2.942 137 T HA -0.049 4.301 4.350 0.000 0.000 0.265 137 T C 1.851 176.549 174.700 -0.003 0.000 1.062 137 T CA 0.757 62.852 62.100 -0.008 0.000 1.139 137 T CB -0.437 68.424 68.868 -0.010 0.000 0.883 137 T HN 0.365 nan 8.240 nan 0.000 0.468 138 I N -0.364 120.205 120.570 -0.000 0.000 3.684 138 I HA 0.571 4.741 4.170 0.000 0.000 0.304 138 I C 0.873 176.993 176.117 0.005 0.000 1.278 138 I CA -0.828 60.475 61.300 0.005 0.000 1.272 138 I CB -0.401 37.608 38.000 0.015 0.000 1.029 138 I HN 0.154 nan 8.210 nan 0.000 0.458 139 A N 1.303 124.125 122.820 0.002 0.000 2.309 139 A HA 0.463 4.783 4.320 0.000 0.000 0.290 139 A C 0.217 177.802 177.584 0.001 0.000 1.206 139 A CA -0.421 51.618 52.037 0.003 0.000 0.850 139 A CB -0.093 18.907 19.000 0.001 0.000 1.118 139 A HN 0.514 nan 8.150 nan 0.000 0.523 140 C N 2.555 121.856 119.300 0.002 0.000 2.662 140 C HA 0.269 4.729 4.460 0.000 0.000 0.420 140 C C 0.653 175.644 174.990 0.001 0.000 1.314 140 C CA -0.539 58.479 59.018 0.001 0.000 1.963 140 C CB -0.435 27.305 27.740 0.001 0.000 2.686 140 C HN 0.749 nan 8.230 nan 0.000 0.609 141 E N 1.522 121.722 120.200 0.000 0.000 2.227 141 E HA 0.495 4.845 4.350 0.000 0.000 0.282 141 E C -0.731 175.869 176.600 0.001 0.000 1.015 141 E CA -0.035 56.365 56.400 0.000 0.000 0.823 141 E CB 1.554 31.254 29.700 -0.000 0.000 1.081 141 E HN 0.442 nan 8.360 nan 0.000 0.396 142 V N 1.502 121.417 119.914 0.001 0.000 2.760 142 V HA 0.428 4.548 4.120 0.000 0.000 0.309 142 V C 0.426 176.521 176.094 0.001 0.000 1.077 142 V CA -1.037 61.264 62.300 0.001 0.000 0.910 142 V CB 2.290 34.114 31.823 0.002 0.000 1.008 142 V HN 0.770 nan 8.190 nan 0.000 0.424 143 G N 2.172 110.973 108.800 0.002 0.000 2.406 143 G HA2 0.426 4.386 3.960 0.000 0.000 0.251 143 G HA3 0.426 4.386 3.960 0.000 0.000 0.251 143 G C 1.008 175.909 174.900 0.002 0.000 1.271 143 G CA 0.267 45.369 45.100 0.002 0.000 0.859 143 G HN 1.188 nan 8.290 nan 0.000 0.540 144 A N 1.507 124.328 122.820 0.002 0.000 2.178 144 A HA -0.022 4.298 4.320 0.000 0.000 0.218 144 A C 1.763 179.348 177.584 0.002 0.000 1.157 144 A CA 1.311 53.350 52.037 0.002 0.000 0.689 144 A CB -0.012 18.989 19.000 0.002 0.000 0.787 144 A HN 0.634 nan 8.150 nan 0.000 0.465 145 Q N -0.531 119.270 119.800 0.003 0.000 2.141 145 Q HA 0.075 4.415 4.340 0.000 0.000 0.248 145 Q C -0.826 175.176 176.000 0.003 0.000 0.834 145 Q CA -0.259 55.546 55.803 0.003 0.000 1.096 145 Q CB 0.522 29.263 28.738 0.005 0.000 1.189 145 Q HN 0.396 nan 8.270 nan 0.000 0.471 146 D N 1.104 121.505 120.400 0.002 0.000 2.470 146 D HA 0.017 4.657 4.640 0.000 0.000 0.226 146 D C 0.619 176.920 176.300 0.002 0.000 1.196 146 D CA 0.263 54.264 54.000 0.002 0.000 0.979 146 D CB 0.575 41.376 40.800 0.002 0.000 1.059 146 D HN 0.159 nan 8.370 nan 0.000 0.515 147 K N 1.815 122.216 120.400 0.001 0.000 2.147 147 K HA -0.182 4.138 4.320 0.000 0.000 0.205 147 K C 1.632 178.233 176.600 0.000 0.000 1.049 147 K CA 1.102 57.389 56.287 0.001 0.000 0.936 147 K CB 0.238 32.738 32.500 0.001 0.000 0.722 147 K HN 0.523 nan 8.250 nan 0.000 0.446 148 E N 0.858 121.059 120.200 0.001 0.000 2.150 148 E HA -0.132 4.218 4.350 0.000 0.000 0.193 148 E C 1.890 178.490 176.600 0.001 0.000 0.985 148 E CA 0.970 57.370 56.400 0.000 0.000 0.814 148 E CB -0.322 29.378 29.700 0.000 0.000 0.752 148 E HN 0.278 nan 8.360 nan 0.000 0.466 149 I N 0.853 121.424 120.570 0.002 0.000 2.400 149 I HA -0.154 4.016 4.170 0.000 0.000 0.248 149 I C 2.358 178.476 176.117 0.003 0.000 1.109 149 I CA 0.604 61.905 61.300 0.003 0.000 1.425 149 I CB -0.174 37.828 38.000 0.003 0.000 1.094 149 I HN 0.081 nan 8.210 nan 0.000 0.425 150 L N 0.406 121.630 121.223 0.002 0.000 2.079 150 L HA -0.220 4.121 4.340 0.000 0.000 0.210 150 L C 2.568 179.439 176.870 0.001 0.000 1.081 150 L CA 1.535 56.376 54.840 0.001 0.000 0.752 150 L CB -0.858 41.201 42.059 0.000 0.000 0.896 150 L HN 0.289 nan 8.230 nan 0.000 0.433 151 T N -0.904 113.651 114.554 0.001 0.000 2.857 151 T HA -0.145 4.205 4.350 0.000 0.000 0.266 151 T C 1.894 176.596 174.700 0.002 0.000 1.048 151 T CA 1.001 63.101 62.100 0.000 0.000 1.139 151 T CB -0.016 68.852 68.868 -0.001 0.000 0.874 151 T HN 0.283 nan 8.240 nan 0.000 0.455 152 K N 0.577 120.979 120.400 0.003 0.000 2.097 152 K HA 0.077 4.397 4.320 0.000 0.000 0.205 152 K C 2.103 178.709 176.600 0.009 0.000 1.050 152 K CA 0.957 57.248 56.287 0.006 0.000 0.938 152 K CB -0.231 32.273 32.500 0.007 0.000 0.718 152 K HN 0.317 nan 8.250 nan 0.000 0.442 153 I N 0.781 121.355 120.570 0.008 0.000 2.252 153 I HA -0.238 3.933 4.170 0.000 0.000 0.245 153 I C 2.407 178.529 176.117 0.009 0.000 1.102 153 I CA 0.935 62.241 61.300 0.009 0.000 1.385 153 I CB -0.226 37.778 38.000 0.006 0.000 1.064 153 I HN 0.124 nan 8.210 nan 0.000 0.414 154 A N 0.083 122.906 122.820 0.006 0.000 1.930 154 A HA -0.233 4.087 4.320 0.000 0.000 0.217 154 A C 2.276 179.865 177.584 0.008 0.000 1.175 154 A CA 1.696 53.736 52.037 0.006 0.000 0.627 154 A CB -0.530 18.471 19.000 0.002 0.000 0.815 154 A HN 0.387 nan 8.150 nan 0.000 0.443 155 M N -0.660 118.945 119.600 0.008 0.000 2.254 155 M HA -0.057 4.423 4.480 0.000 0.000 0.265 155 M C 1.854 178.166 176.300 0.020 0.000 1.066 155 M CA 1.940 57.246 55.300 0.010 0.000 1.123 155 M CB -0.230 32.373 32.600 0.004 0.000 1.388 155 M HN 0.318 nan 8.290 nan 0.000 0.425 156 T N -1.062 113.506 114.554 0.024 0.000 2.995 156 T HA -0.049 4.301 4.350 0.000 0.000 0.269 156 T C 1.891 176.610 174.700 0.032 0.000 1.091 156 T CA 1.406 63.526 62.100 0.035 0.000 1.128 156 T CB -0.199 68.688 68.868 0.031 0.000 0.891 156 T HN 0.444 nan 8.240 nan 0.000 0.492 157 S N 0.592 116.305 115.700 0.022 0.000 2.377 157 S HA 0.076 4.546 4.470 0.000 0.000 0.223 157 S C 1.987 176.600 174.600 0.022 0.000 1.030 157 S CA 0.379 58.590 58.200 0.019 0.000 0.970 157 S CB -0.303 62.904 63.200 0.012 0.000 0.830 157 S HN 0.459 nan 8.310 nan 0.000 0.473 158 I N 1.365 121.948 120.570 0.021 0.000 2.252 158 I HA -0.082 4.088 4.170 0.000 0.000 0.245 158 I C 0.888 177.025 176.117 0.034 0.000 1.102 158 I CA 0.606 61.919 61.300 0.022 0.000 1.385 158 I CB -0.927 37.083 38.000 0.016 0.000 1.064 158 I HN 0.218 nan 8.210 nan 0.000 0.414 159 T N 0.876 115.458 114.554 0.047 0.000 2.932 159 T HA 0.319 4.670 4.350 0.000 0.000 0.312 159 T C 1.077 175.817 174.700 0.068 0.000 1.071 159 T CA 0.677 62.824 62.100 0.079 0.000 1.128 159 T CB 1.218 70.156 68.868 0.117 0.000 0.984 159 T HN 0.653 nan 8.240 nan 0.000 0.549 160 G N 1.989 110.832 108.800 0.071 0.000 2.313 160 G HA2 -0.234 3.726 3.960 0.000 0.000 0.215 160 G HA3 -0.234 3.726 3.960 0.000 0.000 0.215 160 G C 0.908 175.824 174.900 0.028 0.000 1.023 160 G CA 0.146 45.269 45.100 0.038 0.000 0.626 160 G HN 0.620 nan 8.290 nan 0.000 0.503 161 K N 1.063 121.482 120.400 0.032 0.000 2.426 161 K HA 0.450 4.770 4.320 0.000 0.000 0.193 161 K C 0.940 177.562 176.600 0.036 0.000 1.028 161 K CA 0.742 57.045 56.287 0.027 0.000 1.047 161 K CB 0.537 33.050 32.500 0.023 0.000 0.821 161 K HN 1.358 nan 8.250 nan 0.000 0.513 162 G N -0.199 108.634 108.800 0.054 0.000 2.397 162 G HA2 0.091 4.051 3.960 0.000 0.000 0.453 162 G HA3 0.091 4.051 3.960 0.000 0.000 0.453 162 G C 0.149 175.101 174.900 0.088 0.000 1.579 162 G CA -0.470 44.672 45.100 0.071 0.000 0.906 162 G HN -0.024 nan 8.290 nan 0.000 0.675 163 A N 0.834 123.735 122.820 0.136 0.000 2.019 163 A HA 0.041 4.361 4.320 0.000 0.000 0.219 163 A C 2.135 179.733 177.584 0.024 0.000 1.164 163 A CA 2.216 54.310 52.037 0.095 0.000 0.644 163 A CB -0.252 18.813 19.000 0.108 0.000 0.805 163 A HN 1.183 nan 8.150 nan 0.000 0.449 164 E N 0.647 120.867 120.200 0.034 0.000 2.274 164 E HA -0.155 4.195 4.350 0.000 0.000 0.194 164 E C 1.447 178.053 176.600 0.011 0.000 0.996 164 E CA 1.284 57.692 56.400 0.014 0.000 0.840 164 E CB -0.309 29.403 29.700 0.019 0.000 0.772 164 E HN 0.620 nan 8.360 nan 0.000 0.491 165 K N 0.791 121.202 120.400 0.018 0.000 2.228 165 K HA 0.140 4.461 4.320 0.000 0.000 0.202 165 K C 1.093 177.699 176.600 0.009 0.000 1.051 165 K CA 0.754 57.050 56.287 0.015 0.000 0.960 165 K CB 0.146 32.658 32.500 0.020 0.000 0.743 165 K HN 0.110 nan 8.250 nan 0.000 0.458 166 A N 2.508 125.332 122.820 0.007 0.000 3.026 166 A HA 0.044 4.364 4.320 0.000 0.000 0.272 166 A C -0.316 177.260 177.584 -0.014 0.000 1.782 166 A CA 0.053 52.090 52.037 -0.000 0.000 1.451 166 A CB -0.544 18.457 19.000 0.002 0.000 1.081 166 A HN 0.082 nan 8.150 nan 0.000 0.611 167 K N 0.694 121.088 120.400 -0.009 0.000 2.205 167 K HA 0.166 4.487 4.320 0.000 0.000 0.279 167 K C 0.902 177.495 176.600 -0.012 0.000 1.027 167 K CA -0.538 55.741 56.287 -0.013 0.000 0.932 167 K CB 0.597 33.092 32.500 -0.008 0.000 1.032 167 K HN 0.579 nan 8.250 nan 0.000 0.466 168 E N 2.647 122.838 120.200 -0.016 0.000 2.070 168 E HA -0.245 4.105 4.350 0.000 0.000 0.197 168 E C 0.877 177.472 176.600 -0.008 0.000 1.004 168 E CA 1.810 58.202 56.400 -0.014 0.000 0.805 168 E CB 0.192 29.882 29.700 -0.016 0.000 0.744 168 E HN 0.518 nan 8.360 nan 0.000 0.451 169 K N 0.221 120.617 120.400 -0.007 0.000 2.362 169 K HA -0.119 4.201 4.320 0.000 0.000 0.200 169 K C 2.076 178.675 176.600 -0.002 0.000 1.046 169 K CA 0.269 56.554 56.287 -0.004 0.000 0.952 169 K CB -0.010 32.489 32.500 -0.002 0.000 0.753 169 K HN 0.034 nan 8.250 nan 0.000 0.466 170 L N 0.472 121.694 121.223 -0.002 0.000 2.127 170 L HA 0.038 4.378 4.340 0.000 0.000 0.203 170 L C 2.140 179.010 176.870 -0.001 0.000 1.080 170 L CA 1.286 56.125 54.840 -0.001 0.000 0.768 170 L CB -0.384 41.675 42.059 0.000 0.000 0.924 170 L HN 0.038 nan 8.230 nan 0.000 0.444 171 A N -0.547 122.272 122.820 -0.002 0.000 1.933 171 A HA -0.218 4.102 4.320 0.000 0.000 0.218 171 A C 2.136 179.719 177.584 -0.002 0.000 1.175 171 A CA 1.851 53.887 52.037 -0.002 0.000 0.628 171 A CB -0.603 18.396 19.000 -0.002 0.000 0.814 171 A HN 0.602 nan 8.150 nan 0.000 0.444 172 E N -0.363 119.836 120.200 -0.003 0.000 2.077 172 E HA -0.140 4.210 4.350 0.000 0.000 0.193 172 E C 1.844 178.443 176.600 -0.003 0.000 0.989 172 E CA 1.160 57.558 56.400 -0.002 0.000 0.800 172 E CB -0.291 29.408 29.700 -0.002 0.000 0.746 172 E HN 0.694 nan 8.360 nan 0.000 0.452 173 I N 0.910 121.479 120.570 -0.002 0.000 2.286 173 I HA -0.278 3.892 4.170 0.000 0.000 0.248 173 I C 2.262 178.376 176.117 -0.005 0.000 1.115 173 I CA 1.073 62.372 61.300 -0.002 0.000 1.392 173 I CB -0.126 37.873 38.000 -0.000 0.000 1.065 173 I HN 0.119 nan 8.210 nan 0.000 0.418 174 I N -0.384 120.184 120.570 -0.005 0.000 2.286 174 I HA -0.216 3.954 4.170 0.000 0.000 0.245 174 I C 2.441 178.553 176.117 -0.008 0.000 1.104 174 I CA 0.950 62.246 61.300 -0.006 0.000 1.397 174 I CB -0.245 37.753 38.000 -0.004 0.000 1.072 174 I HN -0.019 nan 8.210 nan 0.000 0.417 175 V N 0.691 120.602 119.914 -0.006 0.000 2.407 175 V HA -0.294 3.826 4.120 0.000 0.000 0.248 175 V C 2.409 178.498 176.094 -0.009 0.000 1.055 175 V CA 2.015 64.312 62.300 -0.006 0.000 1.049 175 V CB -0.618 31.203 31.823 -0.004 0.000 0.662 175 V HN 0.475 nan 8.190 nan 0.000 0.455 176 E N -0.148 120.047 120.200 -0.009 0.000 2.208 176 E HA -0.114 4.236 4.350 0.000 0.000 0.193 176 E C 2.199 178.788 176.600 -0.018 0.000 0.988 176 E CA 0.972 57.365 56.400 -0.011 0.000 0.828 176 E CB -0.096 29.599 29.700 -0.008 0.000 0.763 176 E HN 0.593 nan 8.360 nan 0.000 0.478 177 A N 0.181 122.990 122.820 -0.018 0.000 1.930 177 A HA -0.051 4.269 4.320 0.000 0.000 0.215 177 A C 2.264 179.832 177.584 -0.027 0.000 1.176 177 A CA 0.812 52.834 52.037 -0.025 0.000 0.632 177 A CB -0.257 18.730 19.000 -0.022 0.000 0.819 177 A HN 0.188 nan 8.150 nan 0.000 0.445 178 V N -0.201 119.701 119.914 -0.021 0.000 2.548 178 V HA -0.155 3.965 4.120 0.000 0.000 0.249 178 V C 2.637 178.718 176.094 -0.022 0.000 1.055 178 V CA 2.090 64.378 62.300 -0.020 0.000 1.065 178 V CB -0.604 31.211 31.823 -0.014 0.000 0.681 178 V HN 0.510 nan 8.190 nan 0.000 0.462 179 S N 0.238 115.926 115.700 -0.021 0.000 2.402 179 S HA -0.091 4.379 4.470 0.000 0.000 0.229 179 S C 2.155 176.735 174.600 -0.033 0.000 1.021 179 S CA 1.295 59.483 58.200 -0.020 0.000 0.974 179 S CB -0.270 62.922 63.200 -0.014 0.000 0.800 179 S HN 0.652 nan 8.310 nan 0.000 0.484 180 A N 0.980 123.772 122.820 -0.047 0.000 1.970 180 A HA 0.040 4.360 4.320 0.000 0.000 0.216 180 A C 2.044 179.574 177.584 -0.089 0.000 1.170 180 A CA 1.227 53.216 52.037 -0.080 0.000 0.645 180 A CB -0.495 18.456 19.000 -0.082 0.000 0.816 180 A HN 0.543 nan 8.150 nan 0.000 0.447 181 V N -1.976 117.902 119.914 -0.061 0.000 3.620 181 V HA 0.236 4.357 4.120 0.000 0.000 0.286 181 V C 0.355 176.427 176.094 -0.038 0.000 1.288 181 V CA -0.281 61.986 62.300 -0.054 0.000 1.178 181 V CB -0.912 30.884 31.823 -0.043 0.000 0.986 181 V HN 0.069 nan 8.190 nan 0.000 0.431 182 V N 4.234 124.129 119.914 -0.033 0.000 2.446 182 V HA 0.159 4.279 4.120 0.000 0.000 0.276 182 V C 0.293 176.381 176.094 -0.009 0.000 1.030 182 V CA -0.177 62.113 62.300 -0.017 0.000 1.033 182 V CB 0.368 32.185 31.823 -0.010 0.000 0.993 182 V HN 0.758 nan 8.190 nan 0.000 0.477 183 D N 4.123 124.520 120.400 -0.005 0.000 2.339 183 D HA 0.084 4.725 4.640 0.000 0.000 0.241 183 D C -0.407 175.899 176.300 0.009 0.000 1.183 183 D CA -0.583 53.419 54.000 0.003 0.000 0.859 183 D CB 0.957 41.758 40.800 0.001 0.000 1.067 183 D HN 0.389 nan 8.370 nan 0.000 0.484 184 D N 2.875 123.286 120.400 0.018 0.000 2.371 184 D HA 0.116 4.756 4.640 0.000 0.000 0.256 184 D C 0.222 176.531 176.300 0.015 0.000 1.193 184 D CA 0.266 54.277 54.000 0.018 0.000 0.881 184 D CB 1.094 41.911 40.800 0.029 0.000 1.143 184 D HN 0.463 nan 8.370 nan 0.000 0.473 185 E N 0.387 120.593 120.200 0.010 0.000 2.183 185 E HA 0.618 4.968 4.350 0.000 0.000 0.271 185 E C 0.316 176.919 176.600 0.005 0.000 0.919 185 E CA -1.003 55.402 56.400 0.008 0.000 0.781 185 E CB 2.148 31.853 29.700 0.007 0.000 1.140 185 E HN 0.526 nan 8.360 nan 0.000 0.402 186 G N 2.588 111.391 108.800 0.004 0.000 5.580 186 G HA2 0.018 3.978 3.960 0.000 0.000 0.197 186 G HA3 0.018 3.978 3.960 0.000 0.000 0.197 186 G C -0.111 174.790 174.900 0.001 0.000 0.741 186 G CA -0.410 44.693 45.100 0.004 0.000 0.692 186 G HN 0.077 nan 8.290 nan 0.000 0.300 187 K N 0.234 120.634 120.400 -0.000 0.000 2.090 187 K HA 0.675 4.995 4.320 0.000 0.000 0.249 187 K C -0.419 176.178 176.600 -0.005 0.000 0.995 187 K CA -0.642 55.644 56.287 -0.002 0.000 0.914 187 K CB 2.487 34.986 32.500 -0.002 0.000 1.057 187 K HN -0.031 nan 8.250 nan 0.000 0.462 188 V N 1.631 121.541 119.914 -0.006 0.000 2.409 188 V HA 0.069 4.189 4.120 0.000 0.000 0.291 188 V C -0.513 175.575 176.094 -0.010 0.000 1.020 188 V CA -0.879 61.416 62.300 -0.010 0.000 0.848 188 V CB 1.463 33.280 31.823 -0.010 0.000 0.990 188 V HN 0.606 nan 8.190 nan 0.000 0.430 189 D N 3.652 124.044 120.400 -0.013 0.000 2.347 189 D HA 0.285 4.925 4.640 0.000 0.000 0.235 189 D C 0.916 177.206 176.300 -0.016 0.000 1.149 189 D CA -0.337 53.655 54.000 -0.014 0.000 0.850 189 D CB 1.618 42.410 40.800 -0.015 0.000 1.061 189 D HN 0.350 nan 8.370 nan 0.000 0.487 190 K N 1.629 122.021 120.400 -0.014 0.000 2.280 190 K HA -0.060 4.260 4.320 0.000 0.000 0.202 190 K C 0.812 177.401 176.600 -0.018 0.000 1.047 190 K CA 0.889 57.167 56.287 -0.015 0.000 0.942 190 K CB 0.216 32.709 32.500 -0.011 0.000 0.739 190 K HN 0.394 nan 8.250 nan 0.000 0.457 191 D N -0.033 120.356 120.400 -0.019 0.000 2.363 191 D HA -0.018 4.622 4.640 0.000 0.000 0.220 191 D C 1.263 177.546 176.300 -0.028 0.000 0.994 191 D CA 0.553 54.539 54.000 -0.022 0.000 0.890 191 D CB 0.167 40.955 40.800 -0.020 0.000 0.906 191 D HN 0.167 nan 8.370 nan 0.000 0.530 192 L N 0.050 121.256 121.223 -0.028 0.000 2.446 192 L HA 0.145 4.486 4.340 0.000 0.000 0.219 192 L C 0.778 177.624 176.870 -0.039 0.000 1.116 192 L CA 0.288 55.107 54.840 -0.034 0.000 0.844 192 L CB 0.321 42.360 42.059 -0.033 0.000 0.970 192 L HN -0.126 nan 8.230 nan 0.000 0.457 193 I N 1.167 121.716 120.570 -0.035 0.000 2.282 193 I HA 0.056 4.226 4.170 0.000 0.000 0.290 193 I C 0.434 176.529 176.117 -0.037 0.000 1.090 193 I CA -0.072 61.206 61.300 -0.036 0.000 1.231 193 I CB 0.495 38.477 38.000 -0.029 0.000 1.434 193 I HN 0.004 nan 8.210 nan 0.000 0.487 194 K N 7.190 127.562 120.400 -0.046 0.000 2.383 194 K HA 0.368 4.689 4.320 0.000 0.000 0.286 194 K C -0.599 175.972 176.600 -0.049 0.000 1.051 194 K CA -0.236 56.020 56.287 -0.051 0.000 0.974 194 K CB 0.634 33.094 32.500 -0.066 0.000 0.968 194 K HN 0.536 nan 8.250 nan 0.000 0.475 195 I N 4.041 124.586 120.570 -0.042 0.000 2.312 195 I HA 0.135 4.306 4.170 0.000 0.000 0.290 195 I C -0.318 175.774 176.117 -0.042 0.000 1.008 195 I CA -0.558 60.719 61.300 -0.037 0.000 1.226 195 I CB 1.532 39.516 38.000 -0.027 0.000 1.371 195 I HN 0.626 nan 8.210 nan 0.000 0.468 196 E N 6.514 126.686 120.200 -0.047 0.000 2.183 196 E HA 0.413 4.763 4.350 0.000 0.000 0.271 196 E C -1.201 175.378 176.600 -0.035 0.000 0.919 196 E CA -0.694 55.675 56.400 -0.051 0.000 0.781 196 E CB 1.299 30.951 29.700 -0.079 0.000 1.140 196 E HN 0.282 nan 8.360 nan 0.000 0.402 197 K N 3.926 124.308 120.400 -0.031 0.000 2.449 197 K HA 0.414 4.734 4.320 0.000 0.000 0.257 197 K C -0.735 175.855 176.600 -0.016 0.000 0.989 197 K CA -0.896 55.378 56.287 -0.022 0.000 0.916 197 K CB 1.118 33.602 32.500 -0.026 0.000 1.136 197 K HN 0.199 nan 8.250 nan 0.000 0.439 198 K N 1.020 121.418 120.400 -0.004 0.000 2.395 198 K HA 0.316 4.636 4.320 0.000 0.000 0.247 198 K C 0.538 177.144 176.600 0.011 0.000 0.973 198 K CA -0.516 55.776 56.287 0.008 0.000 0.828 198 K CB 1.955 34.472 32.500 0.028 0.000 1.272 198 K HN 0.648 nan 8.250 nan 0.000 0.439 199 S N 0.040 115.747 115.700 0.011 0.000 2.136 199 S HA 0.565 5.035 4.470 0.000 0.000 0.205 199 S C 0.709 175.319 174.600 0.017 0.000 1.346 199 S CA 0.483 58.689 58.200 0.010 0.000 1.084 199 S CB -0.396 62.808 63.200 0.007 0.000 0.767 199 S HN 1.036 nan 8.310 nan 0.000 0.423 200 G N -0.731 108.078 108.800 0.016 0.000 2.603 200 G HA2 0.434 4.394 3.960 0.000 0.000 0.686 200 G HA3 0.434 4.394 3.960 0.000 0.000 0.686 200 G C -0.310 174.598 174.900 0.014 0.000 1.286 200 G CA -0.328 44.782 45.100 0.016 0.000 0.871 200 G HN 1.727 nan 8.290 nan 0.000 0.568 201 A N 0.372 123.199 122.820 0.012 0.000 2.621 201 A HA 0.844 5.164 4.320 0.000 0.000 0.329 201 A C 0.759 178.350 177.584 0.011 0.000 1.458 201 A CA 1.211 53.254 52.037 0.011 0.000 1.052 201 A CB 0.469 19.474 19.000 0.009 0.000 1.142 201 A HN 2.106 nan 8.150 nan 0.000 0.523 202 S N 1.519 117.226 115.700 0.012 0.000 3.894 202 S HA 0.520 4.990 4.470 0.000 0.000 0.189 202 S C 1.164 175.771 174.600 0.011 0.000 1.096 202 S CA 0.563 58.770 58.200 0.012 0.000 1.481 202 S CB -0.365 62.844 63.200 0.015 0.000 1.321 202 S HN 1.025 nan 8.310 nan 0.000 0.828 203 I N 1.132 121.709 120.570 0.012 0.000 3.918 203 I HA -0.347 3.823 4.170 0.000 0.000 0.140 203 I C 0.099 176.221 176.117 0.009 0.000 0.414 203 I CA 1.928 63.234 61.300 0.010 0.000 1.224 203 I CB -0.771 37.235 38.000 0.011 0.000 1.076 203 I HN 0.497 nan 8.210 nan 0.000 0.213 204 D N 0.155 120.560 120.400 0.008 0.000 2.389 204 D HA 0.038 4.678 4.640 0.000 0.000 0.206 204 D C 0.919 177.225 176.300 0.009 0.000 1.055 204 D CA 0.529 54.533 54.000 0.007 0.000 0.856 204 D CB -0.001 40.802 40.800 0.005 0.000 0.957 204 D HN 0.402 nan 8.370 nan 0.000 0.509 205 D N 0.368 120.776 120.400 0.012 0.000 2.358 205 D HA 0.002 4.642 4.640 0.000 0.000 0.224 205 D C 0.216 176.529 176.300 0.022 0.000 1.123 205 D CA 0.207 54.217 54.000 0.017 0.000 0.833 205 D CB -0.008 40.803 40.800 0.018 0.000 0.946 205 D HN 0.087 nan 8.370 nan 0.000 0.505 206 T N -0.358 114.206 114.554 0.017 0.000 2.779 206 T HA 0.353 4.703 4.350 0.000 0.000 0.296 206 T C 0.203 174.913 174.700 0.018 0.000 0.938 206 T CA -0.682 61.428 62.100 0.017 0.000 1.119 206 T CB 0.984 69.858 68.868 0.010 0.000 0.891 206 T HN 0.177 nan 8.240 nan 0.000 0.526 207 E N 2.515 122.729 120.200 0.024 0.000 2.299 207 E HA 0.595 4.945 4.350 0.000 0.000 0.265 207 E C -1.161 175.450 176.600 0.019 0.000 0.911 207 E CA -1.431 54.984 56.400 0.025 0.000 0.789 207 E CB 1.473 31.198 29.700 0.041 0.000 1.246 207 E HN 0.472 nan 8.360 nan 0.000 0.427 208 L N 2.406 123.637 121.223 0.014 0.000 2.265 208 L HA 0.414 4.754 4.340 0.000 0.000 0.288 208 L C -1.159 175.718 176.870 0.013 0.000 1.058 208 L CA -0.217 54.627 54.840 0.006 0.000 0.809 208 L CB 0.481 42.540 42.059 0.000 0.000 1.179 208 L HN 0.592 nan 8.230 nan 0.000 0.429 209 I N 5.585 126.159 120.570 0.006 0.000 2.312 209 I HA 0.244 4.414 4.170 0.000 0.000 0.290 209 I C 0.320 176.434 176.117 -0.005 0.000 1.008 209 I CA -0.434 60.874 61.300 0.014 0.000 1.226 209 I CB 0.815 38.817 38.000 0.004 0.000 1.371 209 I HN 0.544 nan 8.210 nan 0.000 0.468 210 K N 5.957 126.359 120.400 0.004 0.000 2.278 210 K HA 0.413 4.734 4.320 0.000 0.000 0.237 210 K C 0.331 176.926 176.600 -0.008 0.000 1.229 210 K CA -0.259 56.023 56.287 -0.008 0.000 1.155 210 K CB 0.242 32.740 32.500 -0.003 0.000 1.590 210 K HN 0.911 nan 8.250 nan 0.000 0.290 211 G N -0.511 108.273 108.800 -0.026 0.000 2.393 211 G HA2 0.277 4.237 3.960 0.000 0.000 0.264 211 G HA3 0.277 4.237 3.960 0.000 0.000 0.264 211 G C -1.585 173.272 174.900 -0.071 0.000 1.221 211 G CA -0.595 44.485 45.100 -0.035 0.000 0.912 211 G HN 0.088 nan 8.290 nan 0.000 0.483 212 V N 0.011 119.867 119.914 -0.096 0.000 2.962 212 V HA 0.730 4.850 4.120 0.000 0.000 0.313 212 V C -1.145 174.837 176.094 -0.186 0.000 1.099 212 V CA -0.690 61.525 62.300 -0.142 0.000 0.971 212 V CB 2.001 33.722 31.823 -0.170 0.000 1.028 212 V HN 0.724 nan 8.190 nan 0.000 0.430 213 L N 3.432 124.521 121.223 -0.224 0.000 2.316 213 L HA 0.623 4.963 4.340 0.000 0.000 0.280 213 L C -0.573 176.174 176.870 -0.205 0.000 1.006 213 L CA -0.028 54.627 54.840 -0.308 0.000 0.836 213 L CB 1.585 43.403 42.059 -0.403 0.000 1.221 213 L HN 0.490 nan 8.230 nan 0.000 0.418 214 V N 3.628 123.453 119.914 -0.148 0.000 2.383 214 V HA 0.196 4.316 4.120 0.000 0.000 0.275 214 V C 0.287 176.372 176.094 -0.015 0.000 1.036 214 V CA -0.606 61.647 62.300 -0.077 0.000 0.889 214 V CB 1.337 33.135 31.823 -0.041 0.000 0.985 214 V HN 0.614 nan 8.190 nan 0.000 0.459 215 D N 4.460 124.849 120.400 -0.019 0.000 2.941 215 D HA 0.106 4.746 4.640 0.000 0.000 0.236 215 D C 0.271 176.593 176.300 0.037 0.000 1.147 215 D CA 0.583 54.586 54.000 0.004 0.000 0.975 215 D CB -0.143 40.652 40.800 -0.009 0.000 1.162 215 D HN 0.423 nan 8.370 nan 0.000 0.444 216 K N 0.229 120.672 120.400 0.070 0.000 2.466 216 K HA 0.405 4.725 4.320 0.000 0.000 0.260 216 K C -0.391 176.262 176.600 0.089 0.000 1.011 216 K CA -0.664 55.674 56.287 0.084 0.000 0.871 216 K CB 2.096 34.666 32.500 0.116 0.000 1.404 216 K HN 0.081 nan 8.250 nan 0.000 0.450 217 E N 0.966 121.205 120.200 0.064 0.000 2.316 217 E HA 0.293 4.643 4.350 0.000 0.000 0.258 217 E C -0.601 176.015 176.600 0.026 0.000 0.952 217 E CA -1.073 55.358 56.400 0.052 0.000 0.818 217 E CB 1.307 31.029 29.700 0.038 0.000 1.260 217 E HN 0.403 nan 8.360 nan 0.000 0.416 218 R N 0.869 121.374 120.500 0.008 0.000 2.489 218 R HA 0.039 4.379 4.340 0.000 0.000 0.287 218 R C 0.684 176.974 176.300 -0.017 0.000 1.053 218 R CA -0.115 55.971 56.100 -0.024 0.000 1.036 218 R CB 0.535 30.819 30.300 -0.026 0.000 0.966 218 R HN 0.439 nan 8.270 nan 0.000 0.432 219 V N 2.246 122.143 119.914 -0.028 0.000 2.490 219 V HA -0.130 3.990 4.120 0.000 0.000 0.250 219 V C 0.683 176.771 176.094 -0.011 0.000 1.061 219 V CA 2.226 64.517 62.300 -0.015 0.000 1.064 219 V CB 0.019 31.832 31.823 -0.018 0.000 0.670 219 V HN 0.892 nan 8.190 nan 0.000 0.461 220 S N -1.789 113.900 115.700 -0.017 0.000 2.500 220 S HA 0.670 5.140 4.470 0.000 0.000 0.301 220 S C 0.765 175.357 174.600 -0.012 0.000 1.092 220 S CA -0.173 58.020 58.200 -0.011 0.000 1.030 220 S CB 1.756 64.949 63.200 -0.012 0.000 1.031 220 S HN 0.558 nan 8.310 nan 0.000 0.483 221 A N 3.336 126.152 122.820 -0.006 0.000 2.121 221 A HA -0.030 4.291 4.320 0.000 0.000 0.218 221 A C 1.836 179.415 177.584 -0.008 0.000 1.154 221 A CA 1.191 53.225 52.037 -0.005 0.000 0.679 221 A CB -0.488 18.511 19.000 -0.002 0.000 0.795 221 A HN 0.884 nan 8.150 nan 0.000 0.458 222 Q N -0.965 118.830 119.800 -0.009 0.000 2.435 222 Q HA 0.092 4.433 4.340 0.000 0.000 0.207 222 Q C 0.247 176.233 176.000 -0.022 0.000 0.956 222 Q CA 0.039 55.834 55.803 -0.013 0.000 0.917 222 Q CB -0.098 28.634 28.738 -0.011 0.000 0.997 222 Q HN 0.699 nan 8.270 nan 0.000 0.497 223 M N 1.620 121.205 119.600 -0.026 0.000 2.242 223 M HA 0.234 4.714 4.480 0.000 0.000 0.344 223 M C -2.072 174.213 176.300 -0.025 0.000 1.140 223 M CA -1.941 53.340 55.300 -0.032 0.000 1.160 223 M CB 0.583 33.158 32.600 -0.041 0.000 1.491 223 M HN -0.105 nan 8.290 nan 0.000 0.459 224 P HA 0.019 nan 4.420 nan 0.000 0.270 224 P C -0.460 176.830 177.300 -0.016 0.000 1.227 224 P CA -0.002 63.086 63.100 -0.019 0.000 0.788 224 P CB 0.509 32.199 31.700 -0.018 0.000 0.926 225 K N 0.366 120.760 120.400 -0.010 0.000 2.438 225 K HA 0.172 4.492 4.320 0.000 0.000 0.206 225 K C -0.120 176.481 176.600 0.001 0.000 1.081 225 K CA 0.060 56.345 56.287 -0.004 0.000 1.053 225 K CB 0.454 32.951 32.500 -0.005 0.000 0.908 225 K HN 0.229 nan 8.250 nan 0.000 0.556 226 K N 1.194 121.593 120.400 -0.001 0.000 2.619 226 K HA 0.235 4.555 4.320 0.000 0.000 0.251 226 K C -1.910 174.694 176.600 0.005 0.000 0.987 226 K CA -0.614 55.675 56.287 0.003 0.000 0.844 226 K CB 2.081 34.578 32.500 -0.006 0.000 1.237 226 K HN -0.111 nan 8.250 nan 0.000 0.447 227 V N 2.860 122.784 119.914 0.015 0.000 2.531 227 V HA 0.445 4.565 4.120 0.000 0.000 0.301 227 V C -0.103 176.005 176.094 0.023 0.000 1.034 227 V CA -0.799 61.510 62.300 0.015 0.000 0.865 227 V CB 1.656 33.488 31.823 0.015 0.000 0.995 227 V HN 0.902 nan 8.190 nan 0.000 0.424 228 T N 0.023 114.588 114.554 0.017 0.000 2.902 228 T HA 0.452 4.802 4.350 0.000 0.000 0.283 228 T C -0.112 174.601 174.700 0.021 0.000 1.009 228 T CA -0.534 61.578 62.100 0.020 0.000 1.051 228 T CB 1.188 70.064 68.868 0.014 0.000 0.999 228 T HN 0.710 nan 8.240 nan 0.000 0.474 229 D N 0.377 120.793 120.400 0.026 0.000 2.704 229 D HA -0.148 4.492 4.640 0.000 0.000 0.232 229 D C 0.320 176.636 176.300 0.028 0.000 1.183 229 D CA 0.958 54.973 54.000 0.026 0.000 0.647 229 D CB -1.217 39.595 40.800 0.020 0.000 1.013 229 D HN 1.037 nan 8.370 nan 0.000 0.415 230 A N 0.769 123.610 122.820 0.036 0.000 2.354 230 A HA 0.433 4.753 4.320 0.000 0.000 0.269 230 A C 0.459 178.068 177.584 0.042 0.000 1.109 230 A CA -0.345 51.714 52.037 0.037 0.000 0.800 230 A CB 0.792 19.818 19.000 0.045 0.000 1.045 230 A HN 0.074 nan 8.150 nan 0.000 0.489 231 K N 1.976 122.397 120.400 0.036 0.000 2.263 231 K HA 0.536 4.856 4.320 0.000 0.000 0.272 231 K C -0.957 175.672 176.600 0.049 0.000 1.033 231 K CA 0.307 56.617 56.287 0.039 0.000 0.884 231 K CB 1.108 33.624 32.500 0.028 0.000 1.107 231 K HN 0.551 nan 8.250 nan 0.000 0.460 232 I N 2.423 123.036 120.570 0.071 0.000 2.336 232 I HA 0.420 4.590 4.170 0.000 0.000 0.292 232 I C -0.112 176.064 176.117 0.098 0.000 0.991 232 I CA -0.910 60.455 61.300 0.108 0.000 1.227 232 I CB 1.667 39.768 38.000 0.168 0.000 1.366 232 I HN 0.586 nan 8.210 nan 0.000 0.466 233 A N 7.338 130.215 122.820 0.094 0.000 2.317 233 A HA 0.815 5.135 4.320 0.000 0.000 0.327 233 A C -0.990 176.662 177.584 0.113 0.000 1.178 233 A CA -0.458 51.627 52.037 0.079 0.000 0.817 233 A CB 0.914 19.942 19.000 0.047 0.000 1.189 233 A HN 0.563 nan 8.150 nan 0.000 0.489 234 L N 2.501 123.782 121.223 0.096 0.000 2.325 234 L HA 0.525 4.865 4.340 0.000 0.000 0.281 234 L C -0.564 176.350 176.870 0.073 0.000 1.004 234 L CA 0.230 55.134 54.840 0.107 0.000 0.823 234 L CB 1.417 43.524 42.059 0.080 0.000 1.236 234 L HN 0.636 nan 8.230 nan 0.000 0.415 235 L N 3.152 124.422 121.223 0.078 0.000 2.325 235 L HA 0.450 4.790 4.340 0.000 0.000 0.281 235 L C 0.710 177.610 176.870 0.049 0.000 1.004 235 L CA -0.453 54.419 54.840 0.054 0.000 0.823 235 L CB 1.776 43.863 42.059 0.047 0.000 1.236 235 L HN 0.541 nan 8.230 nan 0.000 0.415 236 N N 0.902 119.624 118.700 0.036 0.000 2.422 236 N HA -0.018 4.722 4.740 0.000 0.000 0.181 236 N C 0.203 175.730 175.510 0.027 0.000 1.080 236 N CA 0.054 53.122 53.050 0.030 0.000 0.893 236 N CB 0.272 38.773 38.487 0.023 0.000 0.973 236 N HN 0.542 nan 8.380 nan 0.000 0.456 237 C N 0.901 120.217 119.300 0.028 0.000 2.534 237 C HA 0.742 5.202 4.460 0.000 0.000 0.385 237 C C 0.451 175.457 174.990 0.027 0.000 1.264 237 C CA -0.844 58.189 59.018 0.025 0.000 2.342 237 C CB -0.490 27.264 27.740 0.023 0.000 2.564 237 C HN 0.463 nan 8.230 nan 0.000 0.603 238 A N 5.474 128.309 122.820 0.025 0.000 2.320 238 A HA 0.519 4.839 4.320 0.000 0.000 0.287 238 A C 0.258 177.859 177.584 0.028 0.000 1.181 238 A CA -0.382 51.670 52.037 0.026 0.000 0.831 238 A CB -0.004 19.010 19.000 0.024 0.000 1.102 238 A HN 0.852 nan 8.150 nan 0.000 0.513 239 I N 2.830 123.418 120.570 0.031 0.000 2.546 239 I HA 0.050 4.220 4.170 0.000 0.000 0.275 239 I C 0.408 176.549 176.117 0.039 0.000 1.032 239 I CA 0.568 61.889 61.300 0.035 0.000 2.040 239 I CB -1.009 37.013 38.000 0.037 0.000 1.464 239 I HN 0.715 nan 8.210 nan 0.000 0.865 240 E N 1.391 121.613 120.200 0.035 0.000 2.449 240 E HA 0.528 4.878 4.350 0.000 0.000 0.254 240 E C -0.420 176.202 176.600 0.036 0.000 0.907 240 E CA -1.137 55.285 56.400 0.037 0.000 0.840 240 E CB 1.860 31.578 29.700 0.030 0.000 1.459 240 E HN 0.038 nan 8.360 nan 0.000 0.407 241 I N 1.531 122.122 120.570 0.036 0.000 2.588 241 I HA 0.057 4.227 4.170 0.000 0.000 0.283 241 I C 0.151 176.285 176.117 0.028 0.000 1.119 241 I CA 0.195 61.516 61.300 0.035 0.000 1.419 241 I CB -0.064 37.959 38.000 0.038 0.000 1.394 241 I HN 0.319 nan 8.210 nan 0.000 0.562 242 K N 6.206 126.622 120.400 0.027 0.000 2.250 242 K HA 0.244 4.564 4.320 0.000 0.000 0.285 242 K C -0.150 176.463 176.600 0.021 0.000 1.097 242 K CA -0.262 56.039 56.287 0.023 0.000 0.913 242 K CB 0.470 32.983 32.500 0.021 0.000 1.179 242 K HN 0.495 nan 8.250 nan 0.000 0.462 243 E N 1.893 122.103 120.200 0.018 0.000 2.338 243 E HA 0.016 4.366 4.350 0.000 0.000 0.272 243 E C 0.089 176.697 176.600 0.012 0.000 1.029 243 E CA -0.312 56.097 56.400 0.014 0.000 0.872 243 E CB 0.798 30.503 29.700 0.009 0.000 1.015 243 E HN 0.465 nan 8.360 nan 0.000 0.417 244 T N 0.674 115.235 114.554 0.012 0.000 2.926 244 T HA 0.029 4.379 4.350 0.000 0.000 0.307 244 T C 1.025 175.729 174.700 0.007 0.000 1.059 244 T CA -0.716 61.390 62.100 0.011 0.000 1.122 244 T CB 1.101 69.976 68.868 0.012 0.000 0.972 244 T HN 0.366 nan 8.240 nan 0.000 0.545 245 E N 1.549 121.754 120.200 0.007 0.000 2.047 245 E HA -0.053 4.297 4.350 0.000 0.000 0.191 245 E C 1.184 177.786 176.600 0.004 0.000 0.987 245 E CA 1.299 57.702 56.400 0.006 0.000 0.799 245 E CB -0.672 29.032 29.700 0.006 0.000 0.752 245 E HN 0.924 nan 8.360 nan 0.000 0.449 246 T N 1.941 116.498 114.554 0.005 0.000 2.784 246 T HA 0.059 4.409 4.350 0.000 0.000 0.291 246 T C 0.079 174.780 174.700 0.002 0.000 0.942 246 T CA -0.608 61.494 62.100 0.003 0.000 1.161 246 T CB 0.455 69.326 68.868 0.004 0.000 0.885 246 T HN -0.175 nan 8.240 nan 0.000 0.534 247 D N 2.748 123.148 120.400 -0.000 0.000 2.586 247 D HA 0.323 4.963 4.640 0.000 0.000 0.234 247 D C 0.164 176.461 176.300 -0.004 0.000 1.132 247 D CA 0.583 54.581 54.000 -0.003 0.000 0.860 247 D CB 0.387 41.184 40.800 -0.004 0.000 1.159 247 D HN 0.891 nan 8.370 nan 0.000 0.490 248 A N 2.900 125.716 122.820 -0.007 0.000 2.401 248 A HA 0.612 4.932 4.320 0.000 0.000 0.310 248 A C -0.342 177.228 177.584 -0.024 0.000 1.075 248 A CA -0.649 51.382 52.037 -0.011 0.000 0.746 248 A CB 1.959 20.957 19.000 -0.003 0.000 1.277 248 A HN 0.515 nan 8.150 nan 0.000 0.425 249 E N 1.175 121.355 120.200 -0.034 0.000 2.308 249 E HA 0.570 4.920 4.350 0.000 0.000 0.275 249 E C -1.443 175.105 176.600 -0.086 0.000 0.890 249 E CA -0.481 55.884 56.400 -0.058 0.000 0.754 249 E CB 1.758 31.430 29.700 -0.046 0.000 1.207 249 E HN 0.639 nan 8.360 nan 0.000 0.426 250 I N 2.994 123.472 120.570 -0.153 0.000 2.488 250 I HA 0.425 4.596 4.170 0.000 0.000 0.299 250 I C -0.046 175.946 176.117 -0.208 0.000 0.984 250 I CA -0.792 60.357 61.300 -0.252 0.000 1.250 250 I CB 0.977 38.645 38.000 -0.553 0.000 1.389 250 I HN 0.221 nan 8.210 nan 0.000 0.488 251 R N 5.778 126.184 120.500 -0.156 0.000 2.409 251 R HA 0.541 4.881 4.340 0.000 0.000 0.313 251 R C -1.270 175.007 176.300 -0.039 0.000 0.953 251 R CA -0.880 55.170 56.100 -0.083 0.000 0.849 251 R CB 1.670 31.952 30.300 -0.030 0.000 1.171 251 R HN 0.446 nan 8.270 nan 0.000 0.458 252 I N 1.739 122.288 120.570 -0.034 0.000 2.354 252 I HA 0.220 4.390 4.170 0.000 0.000 0.292 252 I C 1.419 177.558 176.117 0.038 0.000 0.989 252 I CA 0.074 61.400 61.300 0.042 0.000 1.188 252 I CB 1.959 39.987 38.000 0.046 0.000 1.342 252 I HN 0.650 nan 8.210 nan 0.000 0.457 253 T N -0.707 113.879 114.554 0.054 0.000 2.955 253 T HA 0.210 4.560 4.350 0.000 0.000 0.251 253 T C 0.273 174.996 174.700 0.038 0.000 1.002 253 T CA -0.145 61.977 62.100 0.037 0.000 0.970 253 T CB -0.015 68.872 68.868 0.032 0.000 1.091 253 T HN 0.400 nan 8.240 nan 0.000 0.495 254 D N 2.881 123.312 120.400 0.051 0.000 2.256 254 D HA 0.380 5.021 4.640 0.000 0.000 0.240 254 D C -1.404 174.925 176.300 0.048 0.000 1.062 254 D CA -2.564 51.461 54.000 0.042 0.000 0.832 254 D CB 2.188 43.011 40.800 0.038 0.000 1.135 254 D HN -0.101 nan 8.370 nan 0.000 0.484 255 P HA -0.145 nan 4.420 nan 0.000 0.219 255 P C 0.771 178.093 177.300 0.037 0.000 1.146 255 P CA 0.677 63.797 63.100 0.034 0.000 0.808 255 P CB 0.219 31.933 31.700 0.023 0.000 0.779 256 A N -0.052 122.786 122.820 0.030 0.000 2.167 256 A HA -0.034 4.286 4.320 0.000 0.000 0.214 256 A C 2.099 179.698 177.584 0.026 0.000 1.151 256 A CA 0.834 52.884 52.037 0.022 0.000 0.735 256 A CB -0.657 18.349 19.000 0.010 0.000 0.802 256 A HN 0.020 nan 8.150 nan 0.000 0.467 257 K N -0.219 120.213 120.400 0.052 0.000 2.459 257 K HA 0.164 4.484 4.320 0.000 0.000 0.193 257 K C 1.484 178.184 176.600 0.167 0.000 1.030 257 K CA 0.177 56.510 56.287 0.077 0.000 1.026 257 K CB -0.201 32.382 32.500 0.138 0.000 0.809 257 K HN 0.522 nan 8.250 nan 0.000 0.504 258 L N 0.336 121.640 121.223 0.136 0.000 1.976 258 L HA -0.163 4.177 4.340 0.000 0.000 0.209 258 L C 2.360 179.310 176.870 0.132 0.000 1.071 258 L CA 1.132 56.060 54.840 0.148 0.000 0.746 258 L CB -0.388 41.720 42.059 0.083 0.000 0.890 258 L HN 0.126 nan 8.230 nan 0.000 0.432 259 M N -0.731 118.912 119.600 0.072 0.000 2.358 259 M HA -0.171 4.309 4.480 0.000 0.000 0.264 259 M C 2.055 178.372 176.300 0.029 0.000 1.064 259 M CA 1.376 56.705 55.300 0.048 0.000 1.093 259 M CB -0.986 31.629 32.600 0.025 0.000 1.401 259 M HN 0.309 nan 8.290 nan 0.000 0.440 260 E N -0.236 119.960 120.200 -0.007 0.000 2.031 260 E HA -0.181 4.169 4.350 0.000 0.000 0.193 260 E C 1.932 178.444 176.600 -0.146 0.000 0.994 260 E CA 1.405 57.726 56.400 -0.130 0.000 0.800 260 E CB -0.172 29.361 29.700 -0.279 0.000 0.752 260 E HN 0.432 nan 8.360 nan 0.000 0.447 261 F N 0.631 120.585 119.950 0.008 0.000 2.163 261 F HA -0.100 4.427 4.527 0.000 0.000 0.297 261 F C 2.280 178.087 175.800 0.012 0.000 1.094 261 F CA 0.679 58.684 58.000 0.009 0.000 1.290 261 F CB -0.175 38.830 39.000 0.007 0.000 1.017 261 F HN -0.024 nan 8.300 nan 0.000 0.483 262 I N -0.000 120.688 120.570 0.197 0.000 2.179 262 I HA -0.272 3.898 4.170 0.000 0.000 0.242 262 I C 2.121 178.287 176.117 0.082 0.000 1.088 262 I CA 1.586 62.957 61.300 0.118 0.000 1.357 262 I CB -0.542 37.511 38.000 0.087 0.000 1.051 262 I HN 0.143 nan 8.210 nan 0.000 0.409 263 E N 0.148 120.381 120.200 0.055 0.000 2.204 263 E HA -0.269 4.081 4.350 0.000 0.000 0.194 263 E C 2.080 178.694 176.600 0.023 0.000 0.989 263 E CA 0.846 57.267 56.400 0.035 0.000 0.824 263 E CB -0.007 29.701 29.700 0.014 0.000 0.756 263 E HN 0.385 nan 8.360 nan 0.000 0.477 264 Q N 1.224 121.032 119.800 0.014 0.000 2.123 264 Q HA -0.148 4.192 4.340 0.000 0.000 0.199 264 Q C 1.750 177.774 176.000 0.040 0.000 0.966 264 Q CA 1.449 57.255 55.803 0.004 0.000 0.845 264 Q CB 0.077 28.793 28.738 -0.035 0.000 0.907 264 Q HN 0.203 nan 8.270 nan 0.000 0.439 265 E N 0.008 120.253 120.200 0.075 0.000 2.072 265 E HA -0.205 4.145 4.350 0.000 0.000 0.191 265 E C 1.504 178.146 176.600 0.071 0.000 0.985 265 E CA 1.296 57.744 56.400 0.080 0.000 0.801 265 E CB 0.013 29.770 29.700 0.096 0.000 0.750 265 E HN 0.689 nan 8.360 nan 0.000 0.452 266 E N 0.304 120.551 120.200 0.079 0.000 2.481 266 E HA -0.135 4.215 4.350 0.000 0.000 0.195 266 E C 1.824 178.465 176.600 0.068 0.000 1.047 266 E CA 0.432 56.898 56.400 0.110 0.000 0.867 266 E CB 0.022 29.808 29.700 0.143 0.000 0.858 266 E HN 0.015 nan 8.360 nan 0.000 0.513 267 K N 0.699 121.113 120.400 0.025 0.000 2.365 267 K HA 0.048 4.368 4.320 0.000 0.000 0.197 267 K C 1.831 178.412 176.600 -0.032 0.000 1.042 267 K CA 0.432 56.704 56.287 -0.026 0.000 0.987 267 K CB 0.090 32.577 32.500 -0.022 0.000 0.779 267 K HN 0.180 nan 8.250 nan 0.000 0.484 268 M N 0.211 119.812 119.600 0.002 0.000 2.447 268 M HA -0.059 4.421 4.480 0.000 0.000 0.264 268 M C 1.357 177.660 176.300 0.005 0.000 1.095 268 M CA 0.568 55.870 55.300 0.004 0.000 1.125 268 M CB 0.157 32.771 32.600 0.024 0.000 1.389 268 M HN 0.072 nan 8.290 nan 0.000 0.459 269 L N 0.319 121.557 121.223 0.025 0.000 2.209 269 L HA -0.019 4.321 4.340 0.000 0.000 0.207 269 L C 2.135 178.985 176.870 -0.034 0.000 1.094 269 L CA 1.653 56.527 54.840 0.056 0.000 0.790 269 L CB -0.656 41.499 42.059 0.160 0.000 0.932 269 L HN 0.154 nan 8.230 nan 0.000 0.447 270 K N -0.439 119.840 120.400 -0.201 0.000 2.097 270 K HA -0.148 4.172 4.320 0.000 0.000 0.205 270 K C 1.588 178.058 176.600 -0.216 0.000 1.050 270 K CA 1.286 57.305 56.287 -0.447 0.000 0.938 270 K CB -0.069 32.118 32.500 -0.521 0.000 0.718 270 K HN 0.258 nan 8.250 nan 0.000 0.442 271 D N 0.716 121.043 120.400 -0.122 0.000 2.117 271 D HA -0.127 4.513 4.640 0.000 0.000 0.198 271 D C 1.875 178.146 176.300 -0.048 0.000 0.982 271 D CA 1.257 55.214 54.000 -0.073 0.000 0.828 271 D CB -0.048 40.724 40.800 -0.046 0.000 0.967 271 D HN 0.181 nan 8.370 nan 0.000 0.464 272 M N 0.121 119.703 119.600 -0.030 0.000 2.132 272 M HA -0.120 4.360 4.480 0.000 0.000 0.263 272 M C 2.295 178.592 176.300 -0.005 0.000 1.065 272 M CA 0.857 56.153 55.300 -0.007 0.000 1.122 272 M CB -0.072 32.536 32.600 0.013 0.000 1.365 272 M HN -0.117 nan 8.290 nan 0.000 0.411 273 V N 0.280 120.189 119.914 -0.008 0.000 2.427 273 V HA -0.205 3.916 4.120 0.000 0.000 0.248 273 V C 2.529 178.611 176.094 -0.020 0.000 1.051 273 V CA 1.865 64.166 62.300 0.002 0.000 1.048 273 V CB -1.141 30.706 31.823 0.039 0.000 0.666 273 V HN 0.512 nan 8.190 nan 0.000 0.456 274 A N -0.566 122.226 122.820 -0.047 0.000 2.066 274 A HA -0.147 4.173 4.320 0.000 0.000 0.218 274 A C 2.130 179.698 177.584 -0.027 0.000 1.157 274 A CA 1.297 53.308 52.037 -0.043 0.000 0.670 274 A CB -0.322 18.640 19.000 -0.063 0.000 0.804 274 A HN 0.613 nan 8.150 nan 0.000 0.453 275 E N -0.469 119.719 120.200 -0.021 0.000 2.216 275 E HA -0.006 4.344 4.350 0.000 0.000 0.192 275 E C 1.583 178.181 176.600 -0.005 0.000 0.988 275 E CA 0.677 57.070 56.400 -0.011 0.000 0.834 275 E CB -0.105 29.590 29.700 -0.008 0.000 0.772 275 E HN 0.705 nan 8.360 nan 0.000 0.479 276 I N 0.939 121.507 120.570 -0.003 0.000 2.406 276 I HA -0.171 3.999 4.170 0.000 0.000 0.249 276 I C 2.438 178.554 176.117 -0.001 0.000 1.122 276 I CA 0.756 62.056 61.300 0.001 0.000 1.431 276 I CB -0.034 37.968 38.000 0.004 0.000 1.087 276 I HN -0.059 nan 8.210 nan 0.000 0.424 277 K N 1.533 121.929 120.400 -0.006 0.000 2.283 277 K HA -0.095 4.225 4.320 0.000 0.000 0.202 277 K C 2.049 178.645 176.600 -0.006 0.000 1.048 277 K CA 1.055 57.338 56.287 -0.007 0.000 0.948 277 K CB 0.046 32.539 32.500 -0.010 0.000 0.742 277 K HN 0.293 nan 8.250 nan 0.000 0.458 278 A N 0.736 123.552 122.820 -0.006 0.000 2.067 278 A HA -0.105 4.215 4.320 0.000 0.000 0.219 278 A C 1.966 179.549 177.584 -0.001 0.000 1.158 278 A CA 1.742 53.776 52.037 -0.005 0.000 0.661 278 A CB -0.337 18.659 19.000 -0.007 0.000 0.801 278 A HN 0.481 nan 8.150 nan 0.000 0.452 279 S N -2.288 113.413 115.700 0.001 0.000 2.470 279 S HA 0.366 4.836 4.470 0.000 0.000 0.225 279 S C 1.451 176.055 174.600 0.006 0.000 1.006 279 S CA 1.112 59.315 58.200 0.005 0.000 0.934 279 S CB -0.113 63.092 63.200 0.009 0.000 0.778 279 S HN 1.828 nan 8.310 nan 0.000 0.517 280 G N 0.699 109.502 108.800 0.004 0.000 2.148 280 G HA2 0.013 3.973 3.960 0.000 0.000 0.203 280 G HA3 0.013 3.973 3.960 0.000 0.000 0.203 280 G C 0.109 175.013 174.900 0.007 0.000 0.993 280 G CA -0.215 44.887 45.100 0.004 0.000 0.661 280 G HN 1.192 nan 8.290 nan 0.000 0.518 281 A N 0.492 123.317 122.820 0.008 0.000 2.366 281 A HA 0.633 4.953 4.320 0.000 0.000 0.272 281 A C 0.995 178.580 177.584 0.001 0.000 1.135 281 A CA 0.492 52.535 52.037 0.010 0.000 0.804 281 A CB 0.308 19.317 19.000 0.015 0.000 1.064 281 A HN 0.973 nan 8.150 nan 0.000 0.499 282 N N 1.144 119.844 118.700 0.000 0.000 2.177 282 N HA 0.196 4.936 4.740 0.000 0.000 0.218 282 N C -0.777 174.717 175.510 -0.027 0.000 1.182 282 N CA -0.004 53.039 53.050 -0.011 0.000 0.882 282 N CB 0.609 39.092 38.487 -0.006 0.000 1.052 282 N HN 0.224 nan 8.380 nan 0.000 0.519 283 V N 1.051 120.948 119.914 -0.028 0.000 2.777 283 V HA 0.495 4.615 4.120 0.000 0.000 0.306 283 V C -1.623 174.416 176.094 -0.092 0.000 1.112 283 V CA -0.904 61.350 62.300 -0.077 0.000 0.917 283 V CB 2.376 34.177 31.823 -0.037 0.000 1.018 283 V HN 0.159 nan 8.190 nan 0.000 0.426 284 L N 5.033 126.122 121.223 -0.223 0.000 2.409 284 L HA 0.720 5.061 4.340 0.000 0.000 0.272 284 L C -1.695 174.979 176.870 -0.328 0.000 0.980 284 L CA 0.043 54.787 54.840 -0.161 0.000 0.826 284 L CB 1.686 43.690 42.059 -0.092 0.000 1.268 284 L HN 0.500 nan 8.230 nan 0.000 0.407 285 F N 4.992 124.949 119.950 0.013 0.000 2.382 285 F HA 0.448 4.975 4.527 0.000 0.000 0.361 285 F C 0.045 175.851 175.800 0.010 0.000 1.109 285 F CA -0.379 57.627 58.000 0.011 0.000 1.031 285 F CB 1.410 40.415 39.000 0.008 0.000 1.234 285 F HN 0.508 nan 8.300 nan 0.000 0.445 286 C N 4.315 123.705 119.300 0.150 0.000 2.341 286 C HA 0.245 4.706 4.460 0.000 0.000 0.338 286 C C 1.543 176.592 174.990 0.097 0.000 1.257 286 C CA -0.260 58.817 59.018 0.098 0.000 1.883 286 C CB 0.968 28.740 27.740 0.053 0.000 2.334 286 C HN 1.037 nan 8.230 nan 0.000 0.524 287 Q N 2.611 122.455 119.800 0.073 0.000 2.212 287 Q HA 0.048 4.388 4.340 0.000 0.000 0.199 287 Q C 0.937 176.963 176.000 0.042 0.000 0.950 287 Q CA 0.995 56.831 55.803 0.055 0.000 0.863 287 Q CB 0.214 28.976 28.738 0.040 0.000 0.944 287 Q HN 0.652 nan 8.270 nan 0.000 0.465 288 K N -0.200 120.223 120.400 0.038 0.000 2.760 288 K HA 0.356 4.676 4.320 0.000 0.000 0.285 288 K C 0.154 176.773 176.600 0.031 0.000 1.016 288 K CA -0.024 56.281 56.287 0.031 0.000 1.087 288 K CB -0.359 32.156 32.500 0.026 0.000 1.427 288 K HN 0.148 nan 8.250 nan 0.000 0.524 289 G N 0.306 109.122 108.800 0.026 0.000 2.448 289 G HA2 0.528 4.488 3.960 0.000 0.000 0.285 289 G HA3 0.528 4.488 3.960 0.000 0.000 0.285 289 G C -0.423 174.493 174.900 0.026 0.000 1.176 289 G CA -0.570 44.544 45.100 0.025 0.000 0.852 289 G HN 0.313 nan 8.290 nan 0.000 0.530 290 I N 1.161 121.746 120.570 0.024 0.000 2.389 290 I HA 0.167 4.337 4.170 0.000 0.000 0.288 290 I C -0.272 175.861 176.117 0.026 0.000 0.999 290 I CA -0.815 60.501 61.300 0.026 0.000 1.129 290 I CB 1.869 39.882 38.000 0.021 0.000 1.288 290 I HN 0.370 nan 8.210 nan 0.000 0.444 291 D N 4.438 124.858 120.400 0.034 0.000 2.423 291 D HA -0.076 4.564 4.640 0.000 0.000 0.238 291 D C 0.683 177.001 176.300 0.031 0.000 1.142 291 D CA 0.341 54.362 54.000 0.034 0.000 0.884 291 D CB 1.296 42.123 40.800 0.046 0.000 1.199 291 D HN 0.514 nan 8.370 nan 0.000 0.438 292 D N 2.155 122.566 120.400 0.017 0.000 2.117 292 D HA -0.114 4.526 4.640 0.000 0.000 0.197 292 D C 2.094 178.387 176.300 -0.011 0.000 0.987 292 D CA 0.740 54.741 54.000 0.001 0.000 0.829 292 D CB 0.083 40.876 40.800 -0.011 0.000 0.961 292 D HN 0.420 nan 8.370 nan 0.000 0.460 293 L N 0.251 121.469 121.223 -0.008 0.000 2.046 293 L HA -0.166 4.174 4.340 0.000 0.000 0.208 293 L C 2.484 179.345 176.870 -0.015 0.000 1.077 293 L CA 1.309 56.118 54.840 -0.052 0.000 0.747 293 L CB -0.350 41.739 42.059 0.051 0.000 0.896 293 L HN -0.017 nan 8.230 nan 0.000 0.432 294 A N -0.803 122.084 122.820 0.111 0.000 2.015 294 A HA -0.194 4.126 4.320 0.000 0.000 0.219 294 A C 2.195 179.836 177.584 0.095 0.000 1.163 294 A CA 1.128 53.272 52.037 0.178 0.000 0.646 294 A CB -0.318 18.763 19.000 0.134 0.000 0.806 294 A HN 0.486 nan 8.150 nan 0.000 0.448 295 Q N -1.304 118.521 119.800 0.042 0.000 2.119 295 Q HA -0.185 4.155 4.340 0.000 0.000 0.201 295 Q C 2.099 178.100 176.000 0.001 0.000 0.972 295 Q CA 1.395 57.208 55.803 0.017 0.000 0.847 295 Q CB -0.356 28.388 28.738 0.009 0.000 0.903 295 Q HN 0.912 nan 8.270 nan 0.000 0.433 296 H N -0.368 118.620 119.070 -0.136 0.000 2.389 296 H HA -0.146 4.410 4.556 0.000 0.000 0.299 296 H C 1.291 176.520 175.328 -0.165 0.000 1.081 296 H CA 1.409 57.335 56.048 -0.204 0.000 1.345 296 H CB 0.171 29.724 29.762 -0.348 0.000 1.393 296 H HN 0.286 nan 8.280 nan 0.000 0.520 297 Y N 0.624 120.877 120.300 -0.079 0.000 2.263 297 Y HA -0.079 4.471 4.550 0.000 0.000 0.292 297 Y C 2.890 178.719 175.900 -0.120 0.000 1.130 297 Y CA 0.493 58.518 58.100 -0.125 0.000 1.179 297 Y CB -0.501 37.954 38.460 -0.008 0.000 0.998 297 Y HN 0.106 nan 8.280 nan 0.000 0.532 298 L N -0.767 120.493 121.223 0.062 0.000 2.046 298 L HA -0.234 4.106 4.340 0.000 0.000 0.208 298 L C 2.592 179.438 176.870 -0.040 0.000 1.077 298 L CA 1.314 56.159 54.840 0.009 0.000 0.747 298 L CB -0.710 41.351 42.059 0.003 0.000 0.896 298 L HN 0.216 nan 8.230 nan 0.000 0.432 299 A N -0.600 122.173 122.820 -0.079 0.000 2.015 299 A HA -0.211 4.109 4.320 0.000 0.000 0.219 299 A C 2.362 179.881 177.584 -0.109 0.000 1.163 299 A CA 1.502 53.486 52.037 -0.089 0.000 0.646 299 A CB -0.345 18.601 19.000 -0.089 0.000 0.806 299 A HN 0.309 nan 8.150 nan 0.000 0.448 300 K N -0.334 119.966 120.400 -0.166 0.000 2.155 300 K HA -0.093 4.228 4.320 0.000 0.000 0.203 300 K C 1.345 177.909 176.600 -0.061 0.000 1.052 300 K CA 1.183 57.384 56.287 -0.143 0.000 0.948 300 K CB 0.005 32.380 32.500 -0.207 0.000 0.728 300 K HN 0.404 nan 8.250 nan 0.000 0.448 301 E N -0.765 119.411 120.200 -0.041 0.000 2.371 301 E HA -0.014 4.336 4.350 0.000 0.000 0.194 301 E C 0.996 177.581 176.600 -0.025 0.000 1.012 301 E CA 0.909 57.295 56.400 -0.022 0.000 0.860 301 E CB 0.587 30.281 29.700 -0.010 0.000 0.811 301 E HN 0.567 nan 8.360 nan 0.000 0.502 302 G N 1.713 110.493 108.800 -0.033 0.000 2.141 302 G HA2 -0.250 3.710 3.960 0.000 0.000 0.231 302 G HA3 -0.250 3.710 3.960 0.000 0.000 0.231 302 G C 0.239 175.121 174.900 -0.031 0.000 0.984 302 G CA -0.019 45.063 45.100 -0.030 0.000 0.660 302 G HN 0.214 nan 8.290 nan 0.000 0.525 303 I N 1.739 122.288 120.570 -0.035 0.000 2.312 303 I HA 0.315 4.485 4.170 0.000 0.000 0.291 303 I C 0.787 176.868 176.117 -0.061 0.000 1.031 303 I CA -0.925 60.350 61.300 -0.041 0.000 1.293 303 I CB 1.480 39.460 38.000 -0.032 0.000 1.403 303 I HN -0.117 nan 8.210 nan 0.000 0.484 304 V N 6.613 126.481 119.914 -0.077 0.000 2.439 304 V HA 0.443 4.563 4.120 0.000 0.000 0.271 304 V C 0.641 176.625 176.094 -0.182 0.000 1.040 304 V CA -0.141 62.093 62.300 -0.110 0.000 1.002 304 V CB 0.495 32.254 31.823 -0.106 0.000 1.000 304 V HN 0.848 nan 8.190 nan 0.000 0.477 305 A N 4.518 127.235 122.820 -0.172 0.000 2.413 305 A HA 0.990 5.310 4.320 0.000 0.000 0.307 305 A C -0.334 177.130 177.584 -0.199 0.000 1.087 305 A CA -0.362 51.550 52.037 -0.207 0.000 0.750 305 A CB 1.963 20.897 19.000 -0.109 0.000 1.296 305 A HN 1.347 nan 8.150 nan 0.000 0.423 306 A N 1.559 124.247 122.820 -0.220 0.000 2.381 306 A HA 0.725 5.045 4.320 0.000 0.000 0.299 306 A C -0.171 177.420 177.584 0.012 0.000 1.049 306 A CA -0.735 51.250 52.037 -0.086 0.000 0.715 306 A CB 0.893 19.860 19.000 -0.055 0.000 1.222 306 A HN 1.136 nan 8.150 nan 0.000 0.428 307 R N 1.680 122.196 120.500 0.027 0.000 2.643 307 R HA 0.751 5.091 4.340 0.000 0.000 0.272 307 R C -0.450 175.882 176.300 0.053 0.000 0.995 307 R CA -0.809 55.314 56.100 0.039 0.000 1.032 307 R CB 0.631 30.946 30.300 0.024 0.000 1.126 307 R HN 0.661 nan 8.270 nan 0.000 0.505 308 R N 0.095 120.625 120.500 0.049 0.000 3.127 308 R HA -0.133 4.207 4.340 0.000 0.000 0.247 308 R C -0.748 175.585 176.300 0.055 0.000 0.896 308 R CA 0.507 56.633 56.100 0.045 0.000 0.624 308 R CB -1.660 28.660 30.300 0.032 0.000 1.154 308 R HN 0.427 nan 8.270 nan 0.000 0.474 309 V N 2.202 122.161 119.914 0.075 0.000 2.583 309 V HA 0.101 4.221 4.120 0.000 0.000 0.287 309 V C 1.170 177.284 176.094 0.034 0.000 1.051 309 V CA -0.446 61.899 62.300 0.075 0.000 1.010 309 V CB 1.457 33.357 31.823 0.128 0.000 0.988 309 V HN 0.157 nan 8.190 nan 0.000 0.478 310 K N 3.302 123.710 120.400 0.013 0.000 2.527 310 K HA -0.026 4.294 4.320 0.000 0.000 0.278 310 K C 1.263 177.857 176.600 -0.010 0.000 0.981 310 K CA 0.226 56.512 56.287 -0.002 0.000 1.009 310 K CB 0.468 32.961 32.500 -0.013 0.000 0.895 310 K HN 0.615 nan 8.250 nan 0.000 0.493 311 K N 1.610 122.006 120.400 -0.006 0.000 2.152 311 K HA -0.173 4.147 4.320 0.000 0.000 0.206 311 K C 1.663 178.250 176.600 -0.021 0.000 1.048 311 K CA 1.868 58.150 56.287 -0.009 0.000 0.933 311 K CB 0.123 32.621 32.500 -0.005 0.000 0.721 311 K HN 0.626 nan 8.250 nan 0.000 0.447 312 S N 0.131 115.815 115.700 -0.026 0.000 2.414 312 S HA -0.077 4.393 4.470 0.000 0.000 0.227 312 S C 1.434 176.002 174.600 -0.053 0.000 1.022 312 S CA 0.917 59.096 58.200 -0.035 0.000 0.958 312 S CB -0.064 63.117 63.200 -0.032 0.000 0.797 312 S HN 0.257 nan 8.310 nan 0.000 0.493 313 D N 1.291 121.653 120.400 -0.063 0.000 2.224 313 D HA 0.078 4.718 4.640 0.000 0.000 0.205 313 D C 1.897 178.121 176.300 -0.127 0.000 0.965 313 D CA 0.779 54.718 54.000 -0.102 0.000 0.852 313 D CB -0.163 40.572 40.800 -0.108 0.000 0.947 313 D HN 0.327 nan 8.370 nan 0.000 0.494 314 M N 0.375 119.924 119.600 -0.085 0.000 2.175 314 M HA -0.075 4.405 4.480 0.000 0.000 0.264 314 M C 1.837 178.098 176.300 -0.066 0.000 1.063 314 M CA 1.123 56.379 55.300 -0.074 0.000 1.119 314 M CB -0.679 31.906 32.600 -0.025 0.000 1.377 314 M HN 0.063 nan 8.290 nan 0.000 0.415 315 E N -0.095 120.073 120.200 -0.053 0.000 2.152 315 E HA -0.125 4.225 4.350 0.000 0.000 0.192 315 E C 2.103 178.669 176.600 -0.056 0.000 0.983 315 E CA 0.598 56.972 56.400 -0.043 0.000 0.818 315 E CB 0.117 29.798 29.700 -0.032 0.000 0.758 315 E HN 0.355 nan 8.360 nan 0.000 0.467 316 K N 0.757 121.111 120.400 -0.076 0.000 2.001 316 K HA -0.096 4.224 4.320 0.000 0.000 0.208 316 K C 2.264 178.803 176.600 -0.101 0.000 1.048 316 K CA 0.811 57.046 56.287 -0.087 0.000 0.932 316 K CB -0.405 32.031 32.500 -0.106 0.000 0.715 316 K HN 0.175 nan 8.250 nan 0.000 0.437 317 L N 0.780 121.918 121.223 -0.142 0.000 2.083 317 L HA -0.183 4.157 4.340 0.000 0.000 0.209 317 L C 2.580 179.400 176.870 -0.083 0.000 1.083 317 L CA 1.252 55.996 54.840 -0.159 0.000 0.752 317 L CB -0.561 41.331 42.059 -0.277 0.000 0.899 317 L HN 0.145 nan 8.230 nan 0.000 0.433 318 A N -0.140 122.643 122.820 -0.061 0.000 1.933 318 A HA -0.195 4.125 4.320 0.000 0.000 0.218 318 A C 2.288 179.861 177.584 -0.019 0.000 1.175 318 A CA 1.577 53.598 52.037 -0.027 0.000 0.628 318 A CB -0.255 18.733 19.000 -0.019 0.000 0.814 318 A HN 0.347 nan 8.150 nan 0.000 0.444 319 K N -0.770 119.612 120.400 -0.029 0.000 2.314 319 K HA 0.215 4.535 4.320 0.000 0.000 0.198 319 K C 2.100 178.686 176.600 -0.024 0.000 1.045 319 K CA 0.683 56.957 56.287 -0.022 0.000 0.988 319 K CB -0.030 32.453 32.500 -0.028 0.000 0.783 319 K HN 0.422 nan 8.250 nan 0.000 0.484 320 A N 1.270 124.068 122.820 -0.036 0.000 1.887 320 A HA -0.085 4.235 4.320 0.000 0.000 0.212 320 A C 2.239 179.815 177.584 -0.013 0.000 1.198 320 A CA 1.657 53.672 52.037 -0.037 0.000 0.628 320 A CB -0.610 18.357 19.000 -0.055 0.000 0.847 320 A HN 0.341 nan 8.150 nan 0.000 0.449 321 T N -4.384 110.166 114.554 -0.006 0.000 3.035 321 T HA 0.397 4.747 4.350 0.000 0.000 0.259 321 T C 1.261 175.980 174.700 0.031 0.000 1.078 321 T CA 1.166 63.277 62.100 0.017 0.000 1.132 321 T CB 0.025 68.907 68.868 0.023 0.000 0.900 321 T HN 1.770 nan 8.240 nan 0.000 0.480 322 G N 1.125 109.941 108.800 0.025 0.000 2.392 322 G HA2 0.255 4.215 3.960 0.000 0.000 0.215 322 G HA3 0.255 4.215 3.960 0.000 0.000 0.215 322 G C 0.012 174.929 174.900 0.029 0.000 1.097 322 G CA -0.212 44.908 45.100 0.033 0.000 0.840 322 G HN 1.014 nan 8.290 nan 0.000 0.492 323 A N -0.287 122.547 122.820 0.024 0.000 2.352 323 A HA 0.930 5.250 4.320 0.000 0.000 0.299 323 A C 0.029 177.626 177.584 0.021 0.000 1.160 323 A CA -0.799 51.254 52.037 0.027 0.000 0.933 323 A CB 1.057 20.079 19.000 0.037 0.000 1.387 323 A HN 0.366 nan 8.150 nan 0.000 0.487 324 N N -0.605 118.109 118.700 0.024 0.000 2.249 324 N HA 0.412 5.152 4.740 0.000 0.000 0.296 324 N C -1.427 174.096 175.510 0.022 0.000 1.051 324 N CA -0.359 52.702 53.050 0.019 0.000 0.815 324 N CB 2.010 40.507 38.487 0.017 0.000 1.487 324 N HN 0.267 nan 8.380 nan 0.000 0.475 325 V N 3.268 123.192 119.914 0.017 0.000 2.387 325 V HA 0.239 4.359 4.120 0.000 0.000 0.260 325 V C 0.363 176.469 176.094 0.020 0.000 1.054 325 V CA -0.284 62.029 62.300 0.020 0.000 0.967 325 V CB -0.247 31.584 31.823 0.014 0.000 1.036 325 V HN 0.431 nan 8.190 nan 0.000 0.481 326 I N 4.810 125.395 120.570 0.025 0.000 2.336 326 I HA 0.278 4.448 4.170 0.000 0.000 0.292 326 I C 1.197 177.327 176.117 0.021 0.000 0.991 326 I CA 0.030 61.343 61.300 0.021 0.000 1.227 326 I CB 1.387 39.400 38.000 0.022 0.000 1.366 326 I HN 0.530 nan 8.210 nan 0.000 0.466 327 T N 3.337 117.902 114.554 0.018 0.000 3.086 327 T HA 0.051 4.401 4.350 0.000 0.000 0.250 327 T C 0.679 175.389 174.700 0.016 0.000 1.074 327 T CA 0.185 62.296 62.100 0.017 0.000 0.988 327 T CB -0.358 68.519 68.868 0.014 0.000 0.988 327 T HN 0.453 nan 8.240 nan 0.000 0.530 328 N N 0.730 119.439 118.700 0.015 0.000 2.504 328 N HA 0.364 5.104 4.740 0.000 0.000 0.280 328 N C 0.298 175.817 175.510 0.014 0.000 1.052 328 N CA -0.540 52.518 53.050 0.014 0.000 0.887 328 N CB 1.018 39.511 38.487 0.011 0.000 1.323 328 N HN 0.023 nan 8.380 nan 0.000 0.509 329 I N 2.570 123.148 120.570 0.014 0.000 2.614 329 I HA -0.105 4.065 4.170 0.000 0.000 0.258 329 I C 1.363 177.486 176.117 0.010 0.000 1.189 329 I CA 0.907 62.215 61.300 0.014 0.000 1.462 329 I CB 0.278 38.287 38.000 0.015 0.000 1.092 329 I HN 0.430 nan 8.210 nan 0.000 0.442 330 K N -0.136 120.269 120.400 0.008 0.000 2.217 330 K HA -0.121 4.199 4.320 0.000 0.000 0.202 330 K C 1.104 177.707 176.600 0.005 0.000 1.051 330 K CA 0.871 57.161 56.287 0.005 0.000 0.952 330 K CB -0.227 32.275 32.500 0.005 0.000 0.736 330 K HN 0.383 nan 8.250 nan 0.000 0.453 331 D N 0.858 121.263 120.400 0.007 0.000 2.388 331 D HA -0.004 4.636 4.640 0.000 0.000 0.221 331 D C -0.473 175.833 176.300 0.009 0.000 1.133 331 D CA -0.202 53.803 54.000 0.007 0.000 0.831 331 D CB 0.243 41.048 40.800 0.008 0.000 0.962 331 D HN -0.057 nan 8.370 nan 0.000 0.502 332 L N 1.642 122.871 121.223 0.010 0.000 2.536 332 L HA 0.088 4.428 4.340 0.000 0.000 0.282 332 L C 0.235 177.111 176.870 0.010 0.000 1.147 332 L CA 0.244 55.091 54.840 0.012 0.000 0.936 332 L CB 0.434 42.500 42.059 0.013 0.000 1.279 332 L HN -0.241 nan 8.230 nan 0.000 0.461 333 S N 3.074 118.780 115.700 0.010 0.000 2.624 333 S HA 0.541 5.011 4.470 0.000 0.000 0.263 333 S C 1.379 175.985 174.600 0.010 0.000 1.287 333 S CA -0.037 58.168 58.200 0.009 0.000 0.990 333 S CB 1.382 64.587 63.200 0.008 0.000 0.950 333 S HN 0.795 nan 8.310 nan 0.000 0.561 334 A N 1.594 124.419 122.820 0.008 0.000 2.119 334 A HA 0.086 4.406 4.320 0.000 0.000 0.216 334 A C 1.705 179.296 177.584 0.011 0.000 1.152 334 A CA 0.779 52.822 52.037 0.009 0.000 0.708 334 A CB -0.404 18.600 19.000 0.007 0.000 0.805 334 A HN 0.792 nan 8.150 nan 0.000 0.460 335 Q N 0.066 119.872 119.800 0.011 0.000 2.360 335 Q HA 0.050 4.390 4.340 0.000 0.000 0.202 335 Q C 0.053 176.062 176.000 0.014 0.000 0.915 335 Q CA 0.561 56.371 55.803 0.011 0.000 0.943 335 Q CB 0.323 29.066 28.738 0.008 0.000 1.064 335 Q HN 0.469 nan 8.270 nan 0.000 0.511 336 D N -0.260 120.150 120.400 0.016 0.000 2.325 336 D HA 0.093 4.733 4.640 0.000 0.000 0.225 336 D C -0.302 176.013 176.300 0.026 0.000 1.096 336 D CA 0.188 54.200 54.000 0.020 0.000 0.844 336 D CB 0.311 41.122 40.800 0.019 0.000 0.925 336 D HN 0.230 nan 8.370 nan 0.000 0.513 337 L N 0.233 121.472 121.223 0.027 0.000 2.325 337 L HA 0.536 4.876 4.340 0.000 0.000 0.279 337 L C 1.234 178.126 176.870 0.036 0.000 1.054 337 L CA -0.913 53.948 54.840 0.035 0.000 0.804 337 L CB 1.624 43.702 42.059 0.032 0.000 1.200 337 L HN -0.125 nan 8.230 nan 0.000 0.436 338 G N 0.251 109.079 108.800 0.046 0.000 2.522 338 G HA2 0.410 4.370 3.960 0.000 0.000 0.304 338 G HA3 0.410 4.370 3.960 0.000 0.000 0.304 338 G C -1.584 173.345 174.900 0.048 0.000 1.210 338 G CA -0.122 45.005 45.100 0.045 0.000 0.960 338 G HN 0.618 nan 8.290 nan 0.000 0.497 339 D N -1.107 119.320 120.400 0.046 0.000 2.686 339 D HA 0.588 5.228 4.640 0.000 0.000 0.249 339 D C -0.441 175.888 176.300 0.047 0.000 1.260 339 D CA -0.102 53.925 54.000 0.045 0.000 0.910 339 D CB 1.624 42.446 40.800 0.037 0.000 1.323 339 D HN 0.576 nan 8.370 nan 0.000 0.561 340 A N 1.915 124.766 122.820 0.053 0.000 2.414 340 A HA 0.647 4.968 4.320 0.000 0.000 0.306 340 A C 1.065 178.679 177.584 0.051 0.000 1.054 340 A CA -0.347 51.722 52.037 0.053 0.000 0.724 340 A CB 1.678 20.717 19.000 0.065 0.000 1.267 340 A HN 0.584 nan 8.150 nan 0.000 0.418 341 G N 0.143 108.970 108.800 0.046 0.000 2.484 341 G HA2 0.336 4.296 3.960 0.000 0.000 0.218 341 G HA3 0.336 4.296 3.960 0.000 0.000 0.218 341 G C 0.249 175.174 174.900 0.043 0.000 1.130 341 G CA 0.790 45.914 45.100 0.040 0.000 0.784 341 G HN 0.664 nan 8.290 nan 0.000 0.543 342 L N 0.265 121.522 121.223 0.056 0.000 2.543 342 L HA 0.480 4.820 4.340 0.000 0.000 0.265 342 L C -1.638 175.286 176.870 0.090 0.000 0.945 342 L CA -0.690 54.187 54.840 0.061 0.000 0.869 342 L CB 2.718 44.808 42.059 0.053 0.000 1.294 342 L HN -0.177 nan 8.230 nan 0.000 0.405 343 V N 3.569 123.537 119.914 0.090 0.000 2.443 343 V HA 0.539 4.660 4.120 0.000 0.000 0.293 343 V C -0.617 175.536 176.094 0.100 0.000 1.021 343 V CA -0.470 61.906 62.300 0.126 0.000 0.848 343 V CB 1.734 33.636 31.823 0.131 0.000 0.998 343 V HN 0.738 nan 8.190 nan 0.000 0.424 344 E N 3.112 123.389 120.200 0.127 0.000 2.331 344 E HA 0.422 4.772 4.350 0.000 0.000 0.275 344 E C -1.124 175.542 176.600 0.109 0.000 0.895 344 E CA -0.672 55.772 56.400 0.073 0.000 0.753 344 E CB 2.362 32.067 29.700 0.007 0.000 1.216 344 E HN 0.753 nan 8.360 nan 0.000 0.434 345 E N 4.556 124.795 120.200 0.065 0.000 2.046 345 E HA 0.234 4.584 4.350 0.000 0.000 0.279 345 E C -0.743 175.873 176.600 0.027 0.000 0.989 345 E CA -0.331 56.121 56.400 0.086 0.000 0.798 345 E CB 0.624 30.363 29.700 0.065 0.000 1.086 345 E HN 0.346 nan 8.360 nan 0.000 0.399 346 R N 3.105 123.614 120.500 0.015 0.000 2.674 346 R HA 0.397 4.737 4.340 0.000 0.000 0.266 346 R C -0.237 176.073 176.300 0.015 0.000 1.016 346 R CA -0.827 55.213 56.100 -0.101 0.000 1.062 346 R CB 1.256 31.283 30.300 -0.455 0.000 1.142 346 R HN 0.283 nan 8.270 nan 0.000 0.517 347 K N 1.830 122.223 120.400 -0.012 0.000 2.423 347 K HA 0.255 4.575 4.320 0.000 0.000 0.234 347 K C -0.944 175.675 176.600 0.031 0.000 1.051 347 K CA -0.436 55.868 56.287 0.029 0.000 1.021 347 K CB 0.669 33.177 32.500 0.013 0.000 1.474 347 K HN 0.254 nan 8.250 nan 0.000 0.474 348 I N 1.625 122.252 120.570 0.095 0.000 2.315 348 I HA 0.015 4.185 4.170 0.000 0.000 0.291 348 I C 0.434 176.604 176.117 0.087 0.000 1.006 348 I CA 0.643 62.006 61.300 0.106 0.000 1.265 348 I CB 1.367 39.509 38.000 0.238 0.000 1.387 348 I HN 0.644 nan 8.210 nan 0.000 0.475 349 S N 5.102 120.834 115.700 0.054 0.000 3.711 349 S HA -0.151 4.319 4.470 0.000 0.000 0.374 349 S C 1.126 175.745 174.600 0.032 0.000 0.969 349 S CA 1.411 59.634 58.200 0.038 0.000 1.198 349 S CB -1.565 61.658 63.200 0.038 0.000 0.903 349 S HN 2.084 nan 8.310 nan 0.000 0.493 350 G N 0.802 109.619 108.800 0.028 0.000 3.444 350 G HA2 -0.306 3.654 3.960 0.000 0.000 0.222 350 G HA3 -0.306 3.654 3.960 0.000 0.000 0.222 350 G C -0.197 174.721 174.900 0.030 0.000 1.358 350 G CA 0.398 45.512 45.100 0.024 0.000 0.880 350 G HN 0.766 nan 8.290 nan 0.000 0.555 351 D N 1.818 122.240 120.400 0.037 0.000 2.372 351 D HA 0.494 5.134 4.640 0.000 0.000 0.243 351 D C 0.745 177.084 176.300 0.065 0.000 1.121 351 D CA 0.840 54.866 54.000 0.043 0.000 0.898 351 D CB 1.404 42.227 40.800 0.038 0.000 1.202 351 D HN 0.687 nan 8.370 nan 0.000 0.428 352 S N 1.353 117.091 115.700 0.063 0.000 2.442 352 S HA 0.695 5.165 4.470 0.000 0.000 0.297 352 S C -0.066 174.598 174.600 0.106 0.000 1.131 352 S CA -0.834 57.416 58.200 0.084 0.000 1.092 352 S CB 1.275 64.510 63.200 0.058 0.000 0.998 352 S HN 0.381 nan 8.310 nan 0.000 0.478 353 M N 2.342 122.046 119.600 0.172 0.000 2.691 353 M HA 0.521 5.001 4.480 0.000 0.000 0.293 353 M C -1.125 175.332 176.300 0.261 0.000 1.259 353 M CA -0.738 54.664 55.300 0.171 0.000 0.827 353 M CB 2.189 34.855 32.600 0.109 0.000 1.753 353 M HN 0.577 nan 8.290 nan 0.000 0.465 354 I N 1.783 122.477 120.570 0.207 0.000 2.297 354 I HA 0.245 4.415 4.170 0.000 0.000 0.291 354 I C -1.221 175.049 176.117 0.255 0.000 1.033 354 I CA -0.272 61.188 61.300 0.267 0.000 1.253 354 I CB 0.425 38.599 38.000 0.291 0.000 1.396 354 I HN 0.383 nan 8.210 nan 0.000 0.476 355 F N 6.321 126.313 119.950 0.070 0.000 2.375 355 F HA 0.233 4.760 4.527 0.000 0.000 0.362 355 F C 0.339 176.177 175.800 0.064 0.000 1.129 355 F CA -0.499 57.531 58.000 0.049 0.000 1.154 355 F CB 0.998 40.017 39.000 0.032 0.000 1.205 355 F HN 0.069 nan 8.300 nan 0.000 0.513 356 V N 5.199 125.201 119.914 0.146 0.000 2.270 356 V HA 0.246 4.367 4.120 0.000 0.000 0.263 356 V C -0.015 176.125 176.094 0.078 0.000 1.066 356 V CA -0.413 61.958 62.300 0.117 0.000 0.857 356 V CB -0.221 31.635 31.823 0.055 0.000 1.099 356 V HN 0.782 nan 8.190 nan 0.000 0.476 357 E N 2.427 122.693 120.200 0.109 0.000 2.428 357 E HA 0.620 4.970 4.350 0.000 0.000 0.259 357 E C -0.558 176.082 176.600 0.066 0.000 0.930 357 E CA -1.050 55.402 56.400 0.086 0.000 0.823 357 E CB 1.271 31.052 29.700 0.134 0.000 1.403 357 E HN 0.311 nan 8.360 nan 0.000 0.415 358 E N -0.685 119.546 120.200 0.052 0.000 2.320 358 E HA -0.187 4.164 4.350 0.000 0.000 0.234 358 E C -0.794 175.828 176.600 0.036 0.000 1.183 358 E CA 0.244 56.668 56.400 0.040 0.000 0.713 358 E CB -1.908 27.816 29.700 0.041 0.000 1.226 358 E HN 0.438 nan 8.360 nan 0.000 0.382 359 C N 0.597 119.915 119.300 0.030 0.000 2.520 359 C HA 0.187 4.648 4.460 0.000 0.000 0.376 359 C C 1.985 176.997 174.990 0.036 0.000 1.268 359 C CA -0.830 58.206 59.018 0.031 0.000 2.414 359 C CB 1.099 28.851 27.740 0.020 0.000 2.521 359 C HN 0.378 nan 8.230 nan 0.000 0.618 360 K N 0.574 121.006 120.400 0.053 0.000 1.995 360 K HA -0.020 4.300 4.320 0.000 0.000 0.207 360 K C 0.521 177.192 176.600 0.118 0.000 1.041 360 K CA 1.503 57.835 56.287 0.075 0.000 0.942 360 K CB -0.343 32.201 32.500 0.074 0.000 0.731 360 K HN 0.734 nan 8.250 nan 0.000 0.439 361 H N 1.378 120.450 119.070 0.005 0.000 2.541 361 H HA 0.275 4.831 4.556 0.000 0.000 0.246 361 H C -2.645 172.683 175.328 -0.001 0.000 1.341 361 H CA -2.198 53.851 56.048 0.002 0.000 1.469 361 H CB 0.494 30.257 29.762 0.002 0.000 1.472 361 H HN -0.054 nan 8.280 nan 0.000 0.503 362 P HA 0.209 nan 4.420 nan 0.000 0.285 362 P C 0.242 177.439 177.300 -0.172 0.000 1.259 362 P CA -0.662 62.368 63.100 -0.118 0.000 0.794 362 P CB 1.442 33.090 31.700 -0.086 0.000 0.940 363 K N 0.639 120.978 120.400 -0.102 0.000 2.358 363 K HA 0.397 4.717 4.320 0.000 0.000 0.197 363 K C 0.379 176.940 176.600 -0.065 0.000 1.025 363 K CA 0.038 56.274 56.287 -0.086 0.000 1.104 363 K CB 0.719 33.192 32.500 -0.045 0.000 0.855 363 K HN 0.514 nan 8.250 nan 0.000 0.531 364 A N 0.660 123.442 122.820 -0.063 0.000 2.386 364 A HA 0.711 5.031 4.320 0.000 0.000 0.311 364 A C -0.991 176.557 177.584 -0.061 0.000 1.068 364 A CA -0.564 51.438 52.037 -0.058 0.000 0.743 364 A CB 1.850 20.815 19.000 -0.058 0.000 1.258 364 A HN -0.090 nan 8.150 nan 0.000 0.429 365 V N 0.979 120.859 119.914 -0.057 0.000 2.888 365 V HA 0.579 4.699 4.120 0.000 0.000 0.309 365 V C -0.362 175.700 176.094 -0.054 0.000 1.114 365 V CA -0.413 61.855 62.300 -0.053 0.000 0.940 365 V CB 2.677 34.471 31.823 -0.047 0.000 1.021 365 V HN 0.989 nan 8.190 nan 0.000 0.426 366 T N 5.827 120.347 114.554 -0.057 0.000 2.794 366 T HA 0.513 4.863 4.350 0.000 0.000 0.280 366 T C -0.312 174.360 174.700 -0.046 0.000 0.987 366 T CA -0.456 61.605 62.100 -0.064 0.000 0.993 366 T CB 0.978 69.789 68.868 -0.095 0.000 0.939 366 T HN 0.335 nan 8.240 nan 0.000 0.449 367 M N 3.817 123.392 119.600 -0.041 0.000 2.061 367 M HA 0.323 4.803 4.480 0.000 0.000 0.346 367 M C -0.695 175.588 176.300 -0.028 0.000 1.112 367 M CA -1.010 54.274 55.300 -0.027 0.000 1.021 367 M CB 0.725 33.312 32.600 -0.022 0.000 1.530 367 M HN 0.431 nan 8.290 nan 0.000 0.437 368 L N 6.465 127.677 121.223 -0.018 0.000 2.334 368 L HA 0.418 4.759 4.340 0.000 0.000 0.286 368 L C -0.621 176.250 176.870 0.002 0.000 1.108 368 L CA 0.273 55.106 54.840 -0.012 0.000 0.875 368 L CB -0.154 41.912 42.059 0.011 0.000 1.246 368 L HN 0.524 nan 8.230 nan 0.000 0.439 369 I N 5.740 126.307 120.570 -0.005 0.000 2.337 369 I HA 0.317 4.487 4.170 0.000 0.000 0.291 369 I C 0.263 176.383 176.117 0.005 0.000 1.046 369 I CA -0.167 61.133 61.300 -0.000 0.000 1.324 369 I CB 0.240 38.237 38.000 -0.005 0.000 1.409 369 I HN 0.548 nan 8.210 nan 0.000 0.494 370 R N 4.520 125.026 120.500 0.011 0.000 2.803 370 R HA 0.884 5.224 4.340 0.000 0.000 0.276 370 R C -0.251 176.056 176.300 0.012 0.000 0.978 370 R CA -0.989 55.120 56.100 0.014 0.000 0.939 370 R CB 2.354 32.667 30.300 0.023 0.000 1.179 370 R HN 0.776 nan 8.270 nan 0.000 0.472 371 G N -0.758 108.049 108.800 0.011 0.000 2.506 371 G HA2 0.185 4.145 3.960 0.000 0.000 0.292 371 G HA3 0.185 4.145 3.960 0.000 0.000 0.292 371 G C 0.394 175.301 174.900 0.012 0.000 1.425 371 G CA -0.283 44.825 45.100 0.012 0.000 0.788 371 G HN 0.494 nan 8.290 nan 0.000 0.490 372 T N -2.518 112.045 114.554 0.015 0.000 2.812 372 T HA 0.176 4.526 4.350 0.000 0.000 0.264 372 T C 1.372 176.082 174.700 0.017 0.000 1.042 372 T CA 2.046 64.155 62.100 0.016 0.000 1.140 372 T CB -0.408 68.470 68.868 0.017 0.000 0.870 372 T HN 1.382 nan 8.240 nan 0.000 0.445 373 T N -1.317 113.251 114.554 0.023 0.000 2.924 373 T HA 0.571 4.921 4.350 0.000 0.000 0.291 373 T C 0.603 175.307 174.700 0.007 0.000 1.045 373 T CA -0.684 61.432 62.100 0.027 0.000 1.015 373 T CB 2.474 71.376 68.868 0.057 0.000 1.103 373 T HN -0.018 nan 8.240 nan 0.000 0.496 374 E N 0.189 120.367 120.200 -0.037 0.000 2.153 374 E HA -0.110 4.240 4.350 0.000 0.000 0.194 374 E C 1.510 178.021 176.600 -0.149 0.000 0.988 374 E CA 1.627 57.957 56.400 -0.117 0.000 0.811 374 E CB -0.428 29.158 29.700 -0.190 0.000 0.746 374 E HN 0.874 nan 8.360 nan 0.000 0.466 375 H N -1.582 117.491 119.070 0.004 0.000 2.462 375 H HA 0.023 4.579 4.556 0.000 0.000 0.292 375 H C 1.885 177.215 175.328 0.004 0.000 1.049 375 H CA 1.080 57.131 56.048 0.004 0.000 1.334 375 H CB 0.340 30.104 29.762 0.004 0.000 1.404 375 H HN 0.018 nan 8.280 nan 0.000 0.544 376 V N 0.440 120.417 119.914 0.105 0.000 2.379 376 V HA -0.199 3.921 4.120 0.000 0.000 0.245 376 V C 2.225 178.341 176.094 0.036 0.000 1.044 376 V CA 1.520 63.857 62.300 0.061 0.000 1.036 376 V CB -0.336 31.514 31.823 0.045 0.000 0.664 376 V HN 0.394 nan 8.190 nan 0.000 0.453 377 I N -0.040 120.541 120.570 0.019 0.000 2.163 377 I HA -0.290 3.880 4.170 0.000 0.000 0.243 377 I C 2.611 178.731 176.117 0.004 0.000 1.085 377 I CA 1.985 63.288 61.300 0.004 0.000 1.347 377 I CB -0.335 37.657 38.000 -0.012 0.000 1.044 377 I HN 0.386 nan 8.210 nan 0.000 0.408 378 E N 0.449 120.649 120.200 0.001 0.000 2.204 378 E HA -0.286 4.064 4.350 0.000 0.000 0.195 378 E C 1.937 178.550 176.600 0.022 0.000 0.990 378 E CA 1.188 57.591 56.400 0.004 0.000 0.821 378 E CB 0.166 29.864 29.700 -0.004 0.000 0.750 378 E HN 0.355 nan 8.360 nan 0.000 0.477 379 E N -0.326 119.894 120.200 0.035 0.000 2.122 379 E HA -0.078 4.272 4.350 0.000 0.000 0.190 379 E C 1.868 178.480 176.600 0.021 0.000 0.977 379 E CA 0.661 57.080 56.400 0.032 0.000 0.820 379 E CB 0.068 29.791 29.700 0.039 0.000 0.770 379 E HN 0.060 nan 8.360 nan 0.000 0.462 380 V N 0.925 120.851 119.914 0.019 0.000 2.515 380 V HA -0.203 3.917 4.120 0.000 0.000 0.250 380 V C 2.311 178.410 176.094 0.008 0.000 1.058 380 V CA 1.619 63.927 62.300 0.013 0.000 1.064 380 V CB -0.775 31.055 31.823 0.012 0.000 0.675 380 V HN 0.446 nan 8.190 nan 0.000 0.461 381 A N -0.093 122.731 122.820 0.006 0.000 1.930 381 A HA -0.193 4.127 4.320 0.000 0.000 0.217 381 A C 2.381 179.966 177.584 0.002 0.000 1.175 381 A CA 1.529 53.567 52.037 0.001 0.000 0.627 381 A CB -0.439 18.559 19.000 -0.004 0.000 0.815 381 A HN 0.485 nan 8.150 nan 0.000 0.443 382 R N -0.733 119.771 120.500 0.007 0.000 2.148 382 R HA 0.026 4.366 4.340 0.000 0.000 0.223 382 R C 2.235 178.539 176.300 0.007 0.000 1.088 382 R CA 0.886 56.991 56.100 0.007 0.000 0.985 382 R CB -0.274 30.033 30.300 0.012 0.000 0.880 382 R HN 0.510 nan 8.270 nan 0.000 0.451 383 A N 0.256 123.081 122.820 0.009 0.000 2.067 383 A HA -0.022 4.298 4.320 0.000 0.000 0.217 383 A C 2.071 179.658 177.584 0.006 0.000 1.156 383 A CA 0.763 52.806 52.037 0.010 0.000 0.683 383 A CB 0.109 19.117 19.000 0.012 0.000 0.808 383 A HN 0.092 nan 8.150 nan 0.000 0.455 384 V N -0.145 119.771 119.914 0.003 0.000 2.725 384 V HA -0.106 4.014 4.120 0.000 0.000 0.247 384 V C 1.864 177.957 176.094 -0.002 0.000 1.058 384 V CA 1.579 63.879 62.300 0.000 0.000 1.080 384 V CB -0.404 31.418 31.823 -0.002 0.000 0.713 384 V HN 0.454 nan 8.190 nan 0.000 0.465 385 D N 0.430 120.829 120.400 -0.002 0.000 2.178 385 D HA -0.155 4.485 4.640 0.000 0.000 0.201 385 D C 1.684 177.983 176.300 -0.001 0.000 0.980 385 D CA 1.390 55.388 54.000 -0.003 0.000 0.842 385 D CB 0.025 40.823 40.800 -0.003 0.000 0.948 385 D HN 0.433 nan 8.370 nan 0.000 0.472 386 D N 0.261 120.662 120.400 0.001 0.000 2.137 386 D HA -0.014 4.626 4.640 0.000 0.000 0.202 386 D C 2.016 178.317 176.300 0.002 0.000 0.970 386 D CA 1.028 55.029 54.000 0.003 0.000 0.837 386 D CB -0.234 40.569 40.800 0.005 0.000 0.981 386 D HN 0.081 nan 8.370 nan 0.000 0.475 387 A N 0.324 123.145 122.820 0.003 0.000 1.930 387 A HA -0.107 4.213 4.320 0.000 0.000 0.217 387 A C 2.338 179.922 177.584 -0.001 0.000 1.175 387 A CA 0.981 53.019 52.037 0.002 0.000 0.627 387 A CB -0.615 18.386 19.000 0.003 0.000 0.815 387 A HN 0.147 nan 8.150 nan 0.000 0.443 388 V N -0.270 119.643 119.914 -0.003 0.000 2.453 388 V HA -0.117 4.003 4.120 0.000 0.000 0.247 388 V C 2.768 178.859 176.094 -0.005 0.000 1.048 388 V CA 1.687 63.983 62.300 -0.006 0.000 1.049 388 V CB -1.188 30.630 31.823 -0.009 0.000 0.672 388 V HN 0.603 nan 8.190 nan 0.000 0.457 389 G N 0.698 109.496 108.800 -0.003 0.000 2.421 389 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 389 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 389 G C 1.701 176.600 174.900 -0.001 0.000 1.171 389 G CA 1.601 46.700 45.100 -0.003 0.000 0.775 389 G HN 0.561 nan 8.290 nan 0.000 0.543 390 V N -1.316 118.598 119.914 0.000 0.000 2.591 390 V HA -0.018 4.102 4.120 0.000 0.000 0.249 390 V C 2.671 178.766 176.094 0.001 0.000 1.053 390 V CA 1.302 63.603 62.300 0.001 0.000 1.068 390 V CB -0.526 31.299 31.823 0.004 0.000 0.689 390 V HN 0.135 nan 8.190 nan 0.000 0.462 391 V N 2.015 121.929 119.914 -0.000 0.000 2.453 391 V HA -0.025 4.095 4.120 0.000 0.000 0.247 391 V C 2.895 178.987 176.094 -0.003 0.000 1.048 391 V CA 2.117 64.416 62.300 -0.001 0.000 1.049 391 V CB -1.350 30.471 31.823 -0.003 0.000 0.672 391 V HN 0.616 nan 8.190 nan 0.000 0.457 392 G N -1.332 107.466 108.800 -0.004 0.000 2.432 392 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 392 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 392 G C 1.667 176.565 174.900 -0.003 0.000 1.135 392 G CA 1.259 46.356 45.100 -0.005 0.000 0.767 392 G HN 0.538 nan 8.290 nan 0.000 0.550 393 C N 0.534 119.833 119.300 -0.002 0.000 2.446 393 C HA 0.059 4.519 4.460 0.000 0.000 0.279 393 C C 3.141 178.131 174.990 0.000 0.000 1.366 393 C CA 1.451 60.469 59.018 -0.000 0.000 1.763 393 C CB -0.731 27.009 27.740 0.000 0.000 1.929 393 C HN 0.435 nan 8.230 nan 0.000 0.509 394 T N 0.913 115.467 114.554 0.000 0.000 2.937 394 T HA 0.070 4.420 4.350 0.000 0.000 0.260 394 T C 1.644 176.344 174.700 0.000 0.000 1.051 394 T CA 0.838 62.938 62.100 0.001 0.000 1.141 394 T CB -0.132 68.737 68.868 0.001 0.000 0.879 394 T HN 0.442 nan 8.240 nan 0.000 0.459 395 I N 1.206 121.775 120.570 -0.001 0.000 2.226 395 I HA -0.166 4.005 4.170 0.000 0.000 0.245 395 I C 2.606 178.723 176.117 -0.000 0.000 1.100 395 I CA 1.439 62.739 61.300 -0.001 0.000 1.374 395 I CB -0.285 37.714 38.000 -0.002 0.000 1.057 395 I HN 0.317 nan 8.210 nan 0.000 0.413 396 E N 0.553 120.753 120.200 -0.001 0.000 2.028 396 E HA -0.178 4.172 4.350 0.000 0.000 0.190 396 E C 1.731 178.331 176.600 -0.000 0.000 0.984 396 E CA 1.223 57.623 56.400 -0.000 0.000 0.800 396 E CB -0.032 29.668 29.700 -0.001 0.000 0.758 396 E HN 0.439 nan 8.360 nan 0.000 0.448 397 D N -0.632 119.768 120.400 0.000 0.000 2.103 397 D HA -0.045 4.595 4.640 0.000 0.000 0.199 397 D C 1.404 177.704 176.300 0.000 0.000 0.978 397 D CA 1.403 55.403 54.000 0.000 0.000 0.829 397 D CB -0.213 40.587 40.800 0.000 0.000 0.981 397 D HN 0.351 nan 8.370 nan 0.000 0.464 398 G N 0.716 109.517 108.800 0.001 0.000 2.153 398 G HA2 -0.324 3.636 3.960 0.000 0.000 0.252 398 G HA3 -0.324 3.636 3.960 0.000 0.000 0.252 398 G C 0.249 175.149 174.900 0.001 0.000 0.994 398 G CA 0.197 45.297 45.100 0.001 0.000 0.698 398 G HN 0.322 nan 8.290 nan 0.000 0.521 399 R N -0.213 120.288 120.500 0.001 0.000 2.575 399 R HA 0.716 5.056 4.340 0.000 0.000 0.293 399 R C 0.287 176.588 176.300 0.002 0.000 0.983 399 R CA -0.647 55.454 56.100 0.001 0.000 0.887 399 R CB 1.660 31.960 30.300 0.000 0.000 1.184 399 R HN 0.530 nan 8.270 nan 0.000 0.445 400 I N -0.445 120.127 120.570 0.003 0.000 2.892 400 I HA 0.794 4.964 4.170 0.000 0.000 0.306 400 I C -0.479 175.642 176.117 0.007 0.000 1.078 400 I CA -1.180 60.123 61.300 0.005 0.000 1.032 400 I CB 2.197 40.200 38.000 0.006 0.000 1.229 400 I HN 0.380 nan 8.210 nan 0.000 0.435 401 V N 0.481 120.401 119.914 0.010 0.000 3.126 401 V HA 0.731 4.851 4.120 0.000 0.000 0.314 401 V C 0.181 176.285 176.094 0.017 0.000 1.138 401 V CA -0.514 61.794 62.300 0.013 0.000 1.034 401 V CB 1.239 33.071 31.823 0.015 0.000 1.075 401 V HN 1.000 nan 8.190 nan 0.000 0.442 402 S N 0.973 116.686 115.700 0.023 0.000 2.584 402 S HA 0.762 5.232 4.470 0.000 0.000 0.273 402 S C 0.377 174.995 174.600 0.030 0.000 1.311 402 S CA 0.104 58.320 58.200 0.027 0.000 1.034 402 S CB 0.985 64.204 63.200 0.033 0.000 0.939 402 S HN 1.715 nan 8.310 nan 0.000 0.513 403 G N -0.040 108.778 108.800 0.029 0.000 2.606 403 G HA2 0.561 4.521 3.960 0.000 0.000 0.262 403 G HA3 0.561 4.521 3.960 0.000 0.000 0.262 403 G C 0.810 175.725 174.900 0.025 0.000 1.394 403 G CA -0.647 44.468 45.100 0.024 0.000 1.044 403 G HN 2.031 nan 8.290 nan 0.000 0.553 404 G N -1.965 106.843 108.800 0.014 0.000 2.221 404 G HA2 0.256 4.216 3.960 0.000 0.000 0.265 404 G HA3 0.256 4.216 3.960 0.000 0.000 0.265 404 G C 1.407 176.305 174.900 -0.003 0.000 1.041 404 G CA 1.074 46.176 45.100 0.004 0.000 0.807 404 G HN 2.477 nan 8.290 nan 0.000 0.502 405 G N -1.458 107.337 108.800 -0.008 0.000 2.168 405 G HA2 -0.139 3.821 3.960 0.000 0.000 0.257 405 G HA3 -0.139 3.821 3.960 0.000 0.000 0.257 405 G C 1.405 176.296 174.900 -0.016 0.000 0.997 405 G CA 1.683 46.770 45.100 -0.021 0.000 0.708 405 G HN 1.851 nan 8.290 nan 0.000 0.520 406 S N -0.320 115.394 115.700 0.023 0.000 2.345 406 S HA -0.077 4.393 4.470 0.000 0.000 0.219 406 S C 2.673 177.325 174.600 0.087 0.000 1.031 406 S CA 2.422 60.670 58.200 0.080 0.000 0.984 406 S CB -0.375 62.892 63.200 0.111 0.000 0.874 406 S HN 1.252 nan 8.310 nan 0.000 0.451 407 T N -1.103 113.487 114.554 0.060 0.000 3.163 407 T HA 0.159 4.509 4.350 0.000 0.000 0.260 407 T C 1.239 175.949 174.700 0.016 0.000 1.156 407 T CA 0.847 62.980 62.100 0.054 0.000 1.072 407 T CB -0.217 68.674 68.868 0.038 0.000 0.937 407 T HN 0.322 nan 8.240 nan 0.000 0.528 408 E N 0.828 121.018 120.200 -0.016 0.000 2.086 408 E HA 0.105 4.455 4.350 0.000 0.000 0.190 408 E C 2.274 178.829 176.600 -0.074 0.000 0.975 408 E CA 0.390 56.766 56.400 -0.039 0.000 0.813 408 E CB -0.322 29.347 29.700 -0.051 0.000 0.768 408 E HN 0.305 nan 8.360 nan 0.000 0.457 409 V N 1.093 120.920 119.914 -0.144 0.000 2.295 409 V HA -0.254 3.866 4.120 0.000 0.000 0.246 409 V C 2.323 178.269 176.094 -0.246 0.000 1.049 409 V CA 2.076 64.216 62.300 -0.267 0.000 1.024 409 V CB -0.408 31.108 31.823 -0.511 0.000 0.648 409 V HN 0.237 nan 8.190 nan 0.000 0.447 410 E N 0.314 120.419 120.200 -0.159 0.000 2.077 410 E HA -0.245 4.105 4.350 0.000 0.000 0.193 410 E C 1.947 178.579 176.600 0.053 0.000 0.989 410 E CA 1.498 57.962 56.400 0.106 0.000 0.800 410 E CB -0.421 29.438 29.700 0.264 0.000 0.746 410 E HN 0.402 nan 8.360 nan 0.000 0.452 411 L N 0.048 121.287 121.223 0.026 0.000 2.141 411 L HA -0.047 4.294 4.340 0.000 0.000 0.209 411 L C 2.379 179.266 176.870 0.028 0.000 1.094 411 L CA 1.848 56.703 54.840 0.025 0.000 0.763 411 L CB -0.859 41.214 42.059 0.024 0.000 0.908 411 L HN 0.193 nan 8.230 nan 0.000 0.437 412 S N -0.411 115.292 115.700 0.006 0.000 2.345 412 S HA -0.242 4.228 4.470 0.000 0.000 0.220 412 S C 2.131 176.748 174.600 0.027 0.000 1.031 412 S CA 1.714 59.922 58.200 0.013 0.000 0.996 412 S CB -0.314 62.871 63.200 -0.026 0.000 0.882 412 S HN 0.617 nan 8.310 nan 0.000 0.445 413 M N -0.268 119.340 119.600 0.013 0.000 2.296 413 M HA 0.105 4.585 4.480 0.000 0.000 0.265 413 M C 1.651 177.983 176.300 0.054 0.000 1.064 413 M CA 1.371 56.689 55.300 0.031 0.000 1.109 413 M CB -0.202 32.417 32.600 0.031 0.000 1.396 413 M HN -0.001 nan 8.290 nan 0.000 0.430 414 K N 1.109 121.542 120.400 0.055 0.000 2.228 414 K HA 0.147 4.467 4.320 0.000 0.000 0.202 414 K C 1.959 178.610 176.600 0.085 0.000 1.051 414 K CA 0.926 57.249 56.287 0.060 0.000 0.960 414 K CB -0.188 32.335 32.500 0.038 0.000 0.743 414 K HN 0.488 nan 8.250 nan 0.000 0.458 415 L N 0.207 121.482 121.223 0.085 0.000 2.240 415 L HA -0.035 4.306 4.340 0.000 0.000 0.211 415 L C 2.441 179.418 176.870 0.178 0.000 1.106 415 L CA 0.699 55.623 54.840 0.140 0.000 0.793 415 L CB -0.130 42.002 42.059 0.121 0.000 0.927 415 L HN 0.084 nan 8.230 nan 0.000 0.446 416 R N 0.263 120.833 120.500 0.116 0.000 2.119 416 R HA -0.122 4.218 4.340 0.000 0.000 0.222 416 R C 1.965 178.312 176.300 0.078 0.000 1.088 416 R CA 1.274 57.427 56.100 0.089 0.000 0.984 416 R CB 0.061 30.398 30.300 0.061 0.000 0.884 416 R HN 0.535 nan 8.270 nan 0.000 0.447 417 E N -0.807 119.448 120.200 0.091 0.000 2.385 417 E HA -0.157 4.193 4.350 0.000 0.000 0.194 417 E C 1.396 178.056 176.600 0.100 0.000 1.013 417 E CA 0.430 56.875 56.400 0.074 0.000 0.866 417 E CB -0.197 29.542 29.700 0.066 0.000 0.832 417 E HN 0.370 nan 8.360 nan 0.000 0.500 418 Y N 1.699 122.004 120.300 0.008 0.000 2.395 418 Y HA 0.207 4.757 4.550 0.000 0.000 0.293 418 Y C 2.321 178.222 175.900 0.001 0.000 1.123 418 Y CA 0.892 58.993 58.100 0.001 0.000 1.227 418 Y CB -0.128 38.328 38.460 -0.007 0.000 1.012 418 Y HN 0.114 nan 8.280 nan 0.000 0.552 419 A N 0.510 123.290 122.820 -0.066 0.000 1.969 419 A HA -0.141 4.179 4.320 0.000 0.000 0.218 419 A C 1.985 179.488 177.584 -0.135 0.000 1.169 419 A CA 1.610 53.563 52.037 -0.140 0.000 0.635 419 A CB -0.582 18.420 19.000 0.003 0.000 0.810 419 A HN 0.619 nan 8.150 nan 0.000 0.445 420 E N -0.510 119.644 120.200 -0.076 0.000 2.265 420 E HA -0.101 4.249 4.350 0.000 0.000 0.196 420 E C 1.557 178.104 176.600 -0.088 0.000 0.996 420 E CA 0.642 57.007 56.400 -0.059 0.000 0.832 420 E CB -0.234 29.451 29.700 -0.024 0.000 0.756 420 E HN 0.584 nan 8.360 nan 0.000 0.491 421 G N 0.777 109.492 108.800 -0.143 0.000 3.383 421 G HA2 0.204 4.164 3.960 0.000 0.000 0.251 421 G HA3 0.204 4.164 3.960 0.000 0.000 0.251 421 G C 0.233 175.013 174.900 -0.199 0.000 1.203 421 G CA -0.237 44.775 45.100 -0.147 0.000 0.852 421 G HN 0.013 nan 8.290 nan 0.000 0.531 422 I N 1.695 122.143 120.570 -0.202 0.000 2.418 422 I HA 0.257 4.427 4.170 0.000 0.000 0.287 422 I C -0.130 175.927 176.117 -0.101 0.000 1.008 422 I CA -0.744 60.448 61.300 -0.181 0.000 1.104 422 I CB 2.226 40.086 38.000 -0.233 0.000 1.264 422 I HN 0.065 nan 8.210 nan 0.000 0.438 423 S N 4.242 119.898 115.700 -0.073 0.000 2.578 423 S HA 0.948 5.418 4.470 0.000 0.000 0.283 423 S C 0.131 174.708 174.600 -0.038 0.000 1.195 423 S CA -0.163 58.008 58.200 -0.047 0.000 1.050 423 S CB 1.876 65.054 63.200 -0.037 0.000 1.012 423 S HN 1.225 nan 8.310 nan 0.000 0.511 424 G N 1.390 110.174 108.800 -0.027 0.000 2.462 424 G HA2 -0.102 3.858 3.960 0.000 0.000 0.685 424 G HA3 -0.102 3.858 3.960 0.000 0.000 0.685 424 G C -0.118 174.775 174.900 -0.013 0.000 1.295 424 G CA -0.514 44.574 45.100 -0.020 0.000 0.941 424 G HN 0.705 nan 8.290 nan 0.000 0.554 425 R N 0.312 120.808 120.500 -0.006 0.000 2.275 425 R HA 0.101 4.441 4.340 0.000 0.000 0.199 425 R C 2.486 178.792 176.300 0.009 0.000 0.989 425 R CA 1.423 57.525 56.100 0.003 0.000 1.016 425 R CB -0.140 30.164 30.300 0.007 0.000 0.918 425 R HN 0.751 nan 8.270 nan 0.000 0.473 426 E N 0.183 120.385 120.200 0.004 0.000 2.265 426 E HA -0.292 4.058 4.350 0.000 0.000 0.196 426 E C 1.685 178.301 176.600 0.026 0.000 0.996 426 E CA 0.847 57.256 56.400 0.016 0.000 0.832 426 E CB -0.213 29.492 29.700 0.008 0.000 0.756 426 E HN 0.368 nan 8.360 nan 0.000 0.491 427 Q N 1.313 121.116 119.800 0.004 0.000 2.181 427 Q HA -0.167 4.173 4.340 0.000 0.000 0.205 427 Q C 2.175 178.196 176.000 0.035 0.000 0.980 427 Q CA 1.211 57.013 55.803 -0.001 0.000 0.862 427 Q CB -0.092 28.633 28.738 -0.022 0.000 0.905 427 Q HN 0.445 nan 8.270 nan 0.000 0.429 428 L N -0.087 121.161 121.223 0.042 0.000 2.275 428 L HA -0.078 4.262 4.340 0.000 0.000 0.215 428 L C 2.389 179.325 176.870 0.110 0.000 1.119 428 L CA 0.733 55.610 54.840 0.061 0.000 0.790 428 L CB -0.377 41.708 42.059 0.042 0.000 0.919 428 L HN 0.263 nan 8.230 nan 0.000 0.443 429 A N -0.597 122.302 122.820 0.132 0.000 1.975 429 A HA -0.018 4.302 4.320 0.000 0.000 0.215 429 A C 2.250 180.062 177.584 0.380 0.000 1.170 429 A CA 0.699 52.887 52.037 0.251 0.000 0.656 429 A CB -0.354 18.743 19.000 0.162 0.000 0.821 429 A HN 0.145 nan 8.150 nan 0.000 0.449 430 V N 0.359 120.410 119.914 0.228 0.000 2.358 430 V HA -0.240 3.880 4.120 0.000 0.000 0.246 430 V C 2.547 178.759 176.094 0.197 0.000 1.047 430 V CA 2.097 64.513 62.300 0.194 0.000 1.035 430 V CB -0.860 31.037 31.823 0.123 0.000 0.658 430 V HN 0.508 nan 8.190 nan 0.000 0.452 431 R N 0.404 120.992 120.500 0.148 0.000 2.120 431 R HA -0.086 4.254 4.340 0.000 0.000 0.234 431 R C 2.424 178.807 176.300 0.137 0.000 1.123 431 R CA 1.388 57.560 56.100 0.121 0.000 0.975 431 R CB -0.564 29.784 30.300 0.080 0.000 0.866 431 R HN 0.538 nan 8.270 nan 0.000 0.446 432 A N 0.638 123.571 122.820 0.187 0.000 1.898 432 A HA -0.166 4.154 4.320 0.000 0.000 0.216 432 A C 1.948 179.615 177.584 0.140 0.000 1.181 432 A CA 0.958 53.110 52.037 0.191 0.000 0.620 432 A CB -0.561 18.621 19.000 0.302 0.000 0.819 432 A HN 0.340 nan 8.150 nan 0.000 0.442 433 F N 0.672 120.613 119.950 -0.015 0.000 2.146 433 F HA -0.037 4.490 4.527 0.000 0.000 0.298 433 F C 2.550 178.281 175.800 -0.115 0.000 1.096 433 F CA 1.195 59.059 58.000 -0.227 0.000 1.275 433 F CB -0.141 38.688 39.000 -0.285 0.000 1.008 433 F HN 0.262 nan 8.300 nan 0.000 0.480 434 A N -0.056 122.898 122.820 0.223 0.000 1.877 434 A HA -0.201 4.119 4.320 0.000 0.000 0.216 434 A C 1.842 179.440 177.584 0.024 0.000 1.186 434 A CA 2.005 54.123 52.037 0.135 0.000 0.620 434 A CB -0.949 18.126 19.000 0.125 0.000 0.822 434 A HN 0.398 nan 8.150 nan 0.000 0.443 435 D N -0.005 120.405 120.400 0.016 0.000 2.264 435 D HA 0.039 4.679 4.640 0.000 0.000 0.208 435 D C 2.017 178.280 176.300 -0.063 0.000 0.966 435 D CA 1.182 55.173 54.000 -0.016 0.000 0.864 435 D CB -0.261 40.542 40.800 0.005 0.000 0.933 435 D HN 0.451 nan 8.370 nan 0.000 0.499 436 A N 0.384 123.132 122.820 -0.121 0.000 1.929 436 A HA -0.033 4.287 4.320 0.000 0.000 0.216 436 A C 2.244 179.710 177.584 -0.196 0.000 1.176 436 A CA 0.467 52.393 52.037 -0.185 0.000 0.628 436 A CB -0.586 18.225 19.000 -0.315 0.000 0.816 436 A HN 0.193 nan 8.150 nan 0.000 0.444 437 L N -0.410 120.691 121.223 -0.203 0.000 2.191 437 L HA -0.172 4.168 4.340 0.000 0.000 0.212 437 L C 1.996 178.805 176.870 -0.102 0.000 1.103 437 L CA 1.162 55.910 54.840 -0.153 0.000 0.769 437 L CB -0.453 41.547 42.059 -0.099 0.000 0.908 437 L HN 0.452 nan 8.230 nan 0.000 0.438 438 E N -0.635 119.513 120.200 -0.087 0.000 2.526 438 E HA -0.128 4.223 4.350 0.000 0.000 0.198 438 E C 1.907 178.465 176.600 -0.071 0.000 1.091 438 E CA 0.041 56.396 56.400 -0.074 0.000 0.880 438 E CB 0.186 29.849 29.700 -0.062 0.000 0.873 438 E HN 0.262 nan 8.360 nan 0.000 0.527 439 V N 0.694 120.560 119.914 -0.079 0.000 2.871 439 V HA -0.156 3.964 4.120 0.000 0.000 0.256 439 V C 1.582 177.638 176.094 -0.064 0.000 1.082 439 V CA 0.838 63.096 62.300 -0.070 0.000 1.105 439 V CB -0.090 31.686 31.823 -0.079 0.000 0.713 439 V HN 0.272 nan 8.190 nan 0.000 0.473 440 I N 1.003 121.534 120.570 -0.066 0.000 2.277 440 I HA 0.018 4.188 4.170 0.000 0.000 0.243 440 I C 0.013 176.098 176.117 -0.053 0.000 1.094 440 I CA 1.137 62.403 61.300 -0.056 0.000 1.393 440 I CB -2.635 35.333 38.000 -0.053 0.000 1.078 440 I HN 0.344 nan 8.210 nan 0.000 0.417 441 P HA -0.107 nan 4.420 nan 0.000 0.217 441 P C 1.870 179.139 177.300 -0.051 0.000 1.151 441 P CA 1.379 64.447 63.100 -0.054 0.000 0.828 441 P CB -0.066 31.596 31.700 -0.063 0.000 0.788 442 R N -0.168 120.301 120.500 -0.051 0.000 2.066 442 R HA -0.082 4.258 4.340 0.000 0.000 0.232 442 R C 2.119 178.391 176.300 -0.046 0.000 1.131 442 R CA 2.177 58.250 56.100 -0.046 0.000 0.955 442 R CB -0.884 29.389 30.300 -0.045 0.000 0.851 442 R HN 0.223 nan 8.270 nan 0.000 0.432 443 T N -1.384 113.142 114.554 -0.047 0.000 3.035 443 T HA -0.001 4.349 4.350 0.000 0.000 0.268 443 T C 1.869 176.539 174.700 -0.050 0.000 1.109 443 T CA 0.589 62.662 62.100 -0.046 0.000 1.119 443 T CB -0.116 68.725 68.868 -0.044 0.000 0.900 443 T HN 0.157 nan 8.240 nan 0.000 0.503 444 L N 0.443 121.633 121.223 -0.054 0.000 2.109 444 L HA 0.123 4.463 4.340 0.000 0.000 0.207 444 L C 3.238 180.064 176.870 -0.073 0.000 1.086 444 L CA 1.150 55.951 54.840 -0.066 0.000 0.760 444 L CB -0.615 41.404 42.059 -0.065 0.000 0.910 444 L HN 0.398 nan 8.230 nan 0.000 0.437 445 A N -0.165 122.618 122.820 -0.061 0.000 1.897 445 A HA -0.162 4.159 4.320 0.000 0.000 0.215 445 A C 2.118 179.671 177.584 -0.052 0.000 1.181 445 A CA 1.127 53.130 52.037 -0.057 0.000 0.620 445 A CB -0.312 18.660 19.000 -0.046 0.000 0.821 445 A HN 0.380 nan 8.150 nan 0.000 0.443 446 E N 0.346 120.519 120.200 -0.046 0.000 2.038 446 E HA -0.203 4.148 4.350 0.000 0.000 0.195 446 E C 1.596 178.170 176.600 -0.042 0.000 1.000 446 E CA 1.376 57.752 56.400 -0.040 0.000 0.803 446 E CB -0.239 29.439 29.700 -0.036 0.000 0.750 446 E HN 0.531 nan 8.360 nan 0.000 0.448 447 N N 0.417 119.088 118.700 -0.048 0.000 2.381 447 N HA -0.087 4.653 4.740 0.000 0.000 0.182 447 N C 1.484 176.959 175.510 -0.058 0.000 1.025 447 N CA 1.018 54.039 53.050 -0.049 0.000 0.888 447 N CB -0.114 38.343 38.487 -0.050 0.000 0.965 447 N HN 0.124 nan 8.380 nan 0.000 0.438 448 A N -0.048 122.728 122.820 -0.073 0.000 2.067 448 A HA 0.313 4.633 4.320 0.000 0.000 0.217 448 A C 1.782 179.330 177.584 -0.060 0.000 1.156 448 A CA 1.479 53.463 52.037 -0.089 0.000 0.683 448 A CB -0.278 18.652 19.000 -0.116 0.000 0.808 448 A HN 0.347 nan 8.150 nan 0.000 0.455 449 G N -2.198 106.574 108.800 -0.046 0.000 2.232 449 G HA2 -0.179 3.782 3.960 0.000 0.000 0.226 449 G HA3 -0.179 3.782 3.960 0.000 0.000 0.226 449 G C 0.156 175.038 174.900 -0.030 0.000 0.996 449 G CA 0.171 45.251 45.100 -0.033 0.000 0.626 449 G HN 0.384 nan 8.290 nan 0.000 0.509 450 L N 1.279 122.480 121.223 -0.037 0.000 2.476 450 L HA 0.497 4.838 4.340 0.000 0.000 0.255 450 L C 0.731 177.585 176.870 -0.027 0.000 1.218 450 L CA -0.064 54.758 54.840 -0.031 0.000 0.819 450 L CB 0.345 42.382 42.059 -0.036 0.000 1.119 450 L HN 0.154 nan 8.230 nan 0.000 0.485 451 D N 0.089 120.476 120.400 -0.022 0.000 2.344 451 D HA 0.241 4.881 4.640 0.000 0.000 0.253 451 D C 0.623 176.910 176.300 -0.022 0.000 1.255 451 D CA 0.299 54.287 54.000 -0.019 0.000 0.894 451 D CB 1.398 42.190 40.800 -0.014 0.000 1.067 451 D HN 0.559 nan 8.370 nan 0.000 0.492 452 A N 4.277 127.083 122.820 -0.025 0.000 1.969 452 A HA -0.113 4.207 4.320 0.000 0.000 0.218 452 A C 2.106 179.675 177.584 -0.025 0.000 1.169 452 A CA 0.896 52.916 52.037 -0.028 0.000 0.635 452 A CB -0.380 18.602 19.000 -0.030 0.000 0.810 452 A HN 0.737 nan 8.150 nan 0.000 0.445 453 I N -0.960 119.598 120.570 -0.021 0.000 2.333 453 I HA -0.136 4.034 4.170 0.000 0.000 0.246 453 I C 2.415 178.522 176.117 -0.016 0.000 1.106 453 I CA 1.550 62.839 61.300 -0.018 0.000 1.411 453 I CB -0.362 37.629 38.000 -0.015 0.000 1.082 453 I HN 0.324 nan 8.210 nan 0.000 0.420 454 E N 1.971 122.163 120.200 -0.014 0.000 2.047 454 E HA -0.160 4.190 4.350 0.000 0.000 0.191 454 E C 2.126 178.720 176.600 -0.010 0.000 0.987 454 E CA 1.517 57.911 56.400 -0.010 0.000 0.799 454 E CB -0.214 29.481 29.700 -0.008 0.000 0.752 454 E HN 0.434 nan 8.360 nan 0.000 0.449 455 I N 0.035 120.597 120.570 -0.014 0.000 2.252 455 I HA -0.208 3.962 4.170 0.000 0.000 0.245 455 I C 2.148 178.255 176.117 -0.016 0.000 1.102 455 I CA 0.535 61.827 61.300 -0.014 0.000 1.385 455 I CB -0.191 37.797 38.000 -0.020 0.000 1.064 455 I HN 0.213 nan 8.210 nan 0.000 0.414 456 L N 0.237 121.446 121.223 -0.023 0.000 2.261 456 L HA -0.151 4.189 4.340 0.000 0.000 0.216 456 L C 2.101 178.955 176.870 -0.026 0.000 1.114 456 L CA 1.544 56.365 54.840 -0.032 0.000 0.777 456 L CB -0.258 41.780 42.059 -0.034 0.000 0.910 456 L HN -0.007 nan 8.230 nan 0.000 0.440 457 V N -1.429 118.476 119.914 -0.014 0.000 2.725 457 V HA -0.125 3.996 4.120 0.000 0.000 0.247 457 V C 2.336 178.432 176.094 0.003 0.000 1.058 457 V CA 1.096 63.392 62.300 -0.007 0.000 1.080 457 V CB -0.349 31.472 31.823 -0.004 0.000 0.713 457 V HN 0.372 nan 8.190 nan 0.000 0.465 458 K N -0.136 120.267 120.400 0.006 0.000 2.155 458 K HA -0.053 4.267 4.320 0.000 0.000 0.203 458 K C 1.985 178.605 176.600 0.033 0.000 1.052 458 K CA 1.017 57.315 56.287 0.017 0.000 0.948 458 K CB -0.092 32.417 32.500 0.014 0.000 0.728 458 K HN 0.318 nan 8.250 nan 0.000 0.448 459 V N 0.893 120.822 119.914 0.024 0.000 2.649 459 V HA -0.107 4.013 4.120 0.000 0.000 0.248 459 V C 2.253 178.374 176.094 0.045 0.000 1.054 459 V CA 1.192 63.521 62.300 0.050 0.000 1.073 459 V CB -0.327 31.494 31.823 -0.003 0.000 0.699 459 V HN 0.245 nan 8.190 nan 0.000 0.463 460 R N 0.212 120.705 120.500 -0.012 0.000 2.090 460 R HA -0.056 4.284 4.340 0.000 0.000 0.228 460 R C 2.178 178.507 176.300 0.049 0.000 1.110 460 R CA 1.389 57.475 56.100 -0.023 0.000 0.973 460 R CB -0.246 30.036 30.300 -0.031 0.000 0.869 460 R HN 0.492 nan 8.270 nan 0.000 0.440 461 A N -0.046 122.803 122.820 0.049 0.000 2.067 461 A HA 0.103 4.423 4.320 0.000 0.000 0.217 461 A C 1.856 179.481 177.584 0.069 0.000 1.156 461 A CA 1.084 53.151 52.037 0.051 0.000 0.683 461 A CB -0.054 18.965 19.000 0.032 0.000 0.808 461 A HN 0.399 nan 8.150 nan 0.000 0.455 462 A N -2.175 120.704 122.820 0.099 0.000 2.307 462 A HA 0.158 4.478 4.320 0.000 0.000 0.218 462 A C 1.513 179.154 177.584 0.094 0.000 1.228 462 A CA 0.357 52.446 52.037 0.086 0.000 0.857 462 A CB -0.573 18.477 19.000 0.082 0.000 0.897 462 A HN 0.651 nan 8.150 nan 0.000 0.495 463 H N -1.168 117.904 119.070 0.005 0.000 2.855 463 H HA 0.334 4.890 4.556 0.000 0.000 0.259 463 H C 1.140 176.472 175.328 0.007 0.000 0.972 463 H CA 0.477 56.528 56.048 0.006 0.000 1.213 463 H CB 0.499 30.265 29.762 0.006 0.000 1.451 463 H HN 0.509 nan 8.280 nan 0.000 0.484 464 A N 1.493 124.383 122.820 0.117 0.000 2.445 464 A HA 0.323 4.643 4.320 0.000 0.000 0.242 464 A C 1.203 178.809 177.584 0.037 0.000 1.075 464 A CA 0.786 52.864 52.037 0.068 0.000 0.777 464 A CB 0.263 19.294 19.000 0.052 0.000 1.013 464 A HN 0.679 nan 8.150 nan 0.000 0.493 465 S N 1.679 117.397 115.700 0.030 0.000 4.158 465 S HA -0.270 4.200 4.470 0.000 0.000 0.613 465 S C 0.931 175.536 174.600 0.009 0.000 1.866 465 S CA 1.294 59.504 58.200 0.017 0.000 4.250 465 S CB -1.628 61.579 63.200 0.011 0.000 0.202 465 S HN 0.886 nan 8.310 nan 0.000 0.455 466 N N 2.578 121.276 118.700 -0.004 0.000 3.039 466 N HA 0.394 5.134 4.740 0.000 0.000 0.231 466 N C 0.977 176.463 175.510 -0.039 0.000 1.053 466 N CA 0.839 53.880 53.050 -0.014 0.000 1.191 466 N CB -0.971 37.508 38.487 -0.013 0.000 1.597 466 N HN 0.993 nan 8.380 nan 0.000 0.585 467 G N 0.651 109.422 108.800 -0.048 0.000 2.606 467 G HA2 0.131 4.091 3.960 0.000 0.000 0.252 467 G HA3 0.131 4.091 3.960 0.000 0.000 0.252 467 G C 0.530 175.351 174.900 -0.132 0.000 1.206 467 G CA -0.151 44.898 45.100 -0.084 0.000 0.861 467 G HN 0.183 nan 8.290 nan 0.000 0.561 468 N N -0.254 118.297 118.700 -0.249 0.000 2.436 468 N HA -0.003 4.737 4.740 0.000 0.000 0.178 468 N C 1.639 176.989 175.510 -0.267 0.000 1.026 468 N CA 0.784 53.702 53.050 -0.219 0.000 0.880 468 N CB 0.055 38.432 38.487 -0.183 0.000 1.061 468 N HN 0.814 nan 8.380 nan 0.000 0.434 469 K N -0.874 119.201 120.400 -0.541 0.000 3.459 469 K HA -0.199 4.121 4.320 0.000 0.000 0.291 469 K C 0.280 176.788 176.600 -0.153 0.000 0.863 469 K CA 1.304 57.392 56.287 -0.333 0.000 1.269 469 K CB -1.724 30.712 32.500 -0.106 0.000 1.300 469 K HN 0.301 nan 8.250 nan 0.000 0.507 470 c N 2.078 120.590 118.600 -0.146 0.000 2.778 470 c HA 0.678 5.248 4.570 0.000 0.000 0.294 470 c C 0.687 174.773 174.090 -0.007 0.000 1.331 470 c CA 0.292 56.601 56.329 -0.034 0.000 1.741 470 c CB -0.841 41.654 42.510 -0.026 0.000 2.106 470 c HN 0.451 nan 8.230 nan 0.000 0.603 471 A N 0.512 123.313 122.820 -0.032 0.000 2.274 471 A HA 0.755 5.075 4.320 0.000 0.000 0.309 471 A C 0.351 178.060 177.584 0.208 0.000 1.226 471 A CA 0.418 52.489 52.037 0.057 0.000 0.853 471 A CB 0.301 19.300 19.000 -0.003 0.000 1.146 471 A HN 0.755 nan 8.150 nan 0.000 0.518 472 G N 0.341 109.209 108.800 0.113 0.000 2.663 472 G HA2 0.527 4.487 3.960 0.000 0.000 0.299 472 G HA3 0.527 4.487 3.960 0.000 0.000 0.299 472 G C -1.492 173.434 174.900 0.043 0.000 1.372 472 G CA -0.729 44.422 45.100 0.084 0.000 0.781 472 G HN 1.041 nan 8.290 nan 0.000 0.491 473 L N 0.910 122.142 121.223 0.016 0.000 2.319 473 L HA 0.539 4.879 4.340 0.000 0.000 0.280 473 L C -0.228 176.636 176.870 -0.010 0.000 1.099 473 L CA -0.868 53.970 54.840 -0.003 0.000 0.828 473 L CB 0.860 42.903 42.059 -0.026 0.000 1.150 473 L HN 0.432 nan 8.230 nan 0.000 0.442 474 N N 3.460 122.160 118.700 -0.001 0.000 2.485 474 N HA 0.134 4.874 4.740 0.000 0.000 0.243 474 N C 0.900 176.373 175.510 -0.060 0.000 0.987 474 N CA -0.143 52.912 53.050 0.007 0.000 0.940 474 N CB 1.213 39.743 38.487 0.072 0.000 1.122 474 N HN 0.554 nan 8.380 nan 0.000 0.509 475 V N 1.729 121.513 119.914 -0.217 0.000 2.867 475 V HA -0.076 4.044 4.120 0.000 0.000 0.260 475 V C 1.159 177.021 176.094 -0.386 0.000 1.099 475 V CA 1.346 63.433 62.300 -0.356 0.000 1.122 475 V CB -1.087 30.423 31.823 -0.522 0.000 0.708 475 V HN 0.371 nan 8.190 nan 0.000 0.490 476 F N 1.217 121.168 119.950 0.001 0.000 2.317 476 F HA 0.120 4.647 4.527 0.000 0.000 0.290 476 F C 2.624 178.425 175.800 0.001 0.000 1.075 476 F CA 1.399 59.400 58.000 0.001 0.000 1.380 476 F CB -1.253 37.747 39.000 0.001 0.000 1.093 476 F HN 0.020 nan 8.300 nan 0.000 0.524 477 T N -0.951 113.706 114.554 0.172 0.000 2.812 477 T HA 0.160 4.510 4.350 0.000 0.000 0.264 477 T C 2.091 176.821 174.700 0.052 0.000 1.042 477 T CA 1.586 63.745 62.100 0.097 0.000 1.140 477 T CB -0.747 68.168 68.868 0.078 0.000 0.870 477 T HN 0.516 nan 8.240 nan 0.000 0.445 478 G N 1.300 110.115 108.800 0.025 0.000 2.399 478 G HA2 -0.107 3.853 3.960 0.000 0.000 0.216 478 G HA3 -0.107 3.853 3.960 0.000 0.000 0.216 478 G C 0.365 175.267 174.900 0.003 0.000 1.096 478 G CA 0.055 45.156 45.100 0.003 0.000 0.650 478 G HN 0.936 nan 8.290 nan 0.000 0.512 479 A N 0.009 122.837 122.820 0.015 0.000 2.252 479 A HA 0.786 5.106 4.320 0.000 0.000 0.305 479 A C 0.596 178.191 177.584 0.018 0.000 1.097 479 A CA 0.468 52.514 52.037 0.014 0.000 0.849 479 A CB 1.364 20.374 19.000 0.017 0.000 1.142 479 A HN 1.714 nan 8.150 nan 0.000 0.499 480 V N 0.593 120.519 119.914 0.019 0.000 2.439 480 V HA 0.335 4.455 4.120 0.000 0.000 0.271 480 V C 0.082 176.194 176.094 0.030 0.000 1.040 480 V CA 0.329 62.645 62.300 0.027 0.000 1.002 480 V CB 0.114 31.957 31.823 0.035 0.000 1.000 480 V HN 0.942 nan 8.190 nan 0.000 0.477 481 E N 4.017 124.237 120.200 0.033 0.000 2.339 481 E HA 0.347 4.697 4.350 0.000 0.000 0.262 481 E C -1.060 175.557 176.600 0.028 0.000 0.934 481 E CA -0.881 55.537 56.400 0.030 0.000 0.802 481 E CB 1.497 31.219 29.700 0.037 0.000 1.275 481 E HN 0.791 nan 8.360 nan 0.000 0.427 482 D N 2.391 122.802 120.400 0.019 0.000 2.336 482 D HA 0.050 4.690 4.640 0.000 0.000 0.249 482 D C 0.867 177.178 176.300 0.020 0.000 1.213 482 D CA -0.032 53.974 54.000 0.011 0.000 0.870 482 D CB 0.786 41.586 40.800 -0.000 0.000 1.076 482 D HN 0.416 nan 8.370 nan 0.000 0.483 483 M N 2.473 122.088 119.600 0.025 0.000 2.319 483 M HA -0.106 4.374 4.480 0.000 0.000 0.265 483 M C 2.155 178.470 176.300 0.024 0.000 1.068 483 M CA 0.467 55.786 55.300 0.032 0.000 1.118 483 M CB -0.570 32.053 32.600 0.039 0.000 1.395 483 M HN 0.508 nan 8.290 nan 0.000 0.435 484 c N 0.719 119.328 118.600 0.015 0.000 2.446 484 c HA -0.105 4.465 4.570 0.000 0.000 0.277 484 c C 2.483 176.579 174.090 0.009 0.000 1.275 484 c CA 0.751 57.086 56.329 0.010 0.000 1.727 484 c CB -0.925 41.587 42.510 0.003 0.000 2.010 484 c HN 0.564 nan 8.230 nan 0.000 0.486 485 E N 0.885 121.090 120.200 0.008 0.000 2.274 485 E HA -0.106 4.244 4.350 0.000 0.000 0.194 485 E C 1.541 178.148 176.600 0.011 0.000 0.996 485 E CA 0.622 57.026 56.400 0.007 0.000 0.840 485 E CB -0.115 29.588 29.700 0.005 0.000 0.772 485 E HN 0.589 nan 8.360 nan 0.000 0.491 486 N N -0.194 118.517 118.700 0.018 0.000 2.250 486 N HA -0.025 4.715 4.740 0.000 0.000 0.181 486 N C 1.074 176.597 175.510 0.021 0.000 1.017 486 N CA 1.287 54.352 53.050 0.024 0.000 0.866 486 N CB 0.554 39.065 38.487 0.040 0.000 0.985 486 N HN 0.261 nan 8.380 nan 0.000 0.429 487 G N -0.990 107.823 108.800 0.021 0.000 2.155 487 G HA2 -0.179 3.781 3.960 0.000 0.000 0.135 487 G HA3 -0.179 3.781 3.960 0.000 0.000 0.135 487 G C -0.682 174.233 174.900 0.025 0.000 1.023 487 G CA -0.167 44.944 45.100 0.018 0.000 0.688 487 G HN 0.123 nan 8.290 nan 0.000 0.499 488 V N 1.492 121.425 119.914 0.032 0.000 2.304 488 V HA 0.650 4.770 4.120 0.000 0.000 0.269 488 V C 0.507 176.618 176.094 0.029 0.000 1.036 488 V CA -0.192 62.131 62.300 0.038 0.000 0.840 488 V CB 1.045 32.899 31.823 0.051 0.000 1.036 488 V HN 1.085 nan 8.190 nan 0.000 0.466 489 V N 1.922 121.850 119.914 0.024 0.000 2.888 489 V HA 0.797 4.917 4.120 0.000 0.000 0.309 489 V C -0.870 175.233 176.094 0.016 0.000 1.114 489 V CA -0.867 61.444 62.300 0.019 0.000 0.940 489 V CB 2.258 34.090 31.823 0.015 0.000 1.021 489 V HN 0.694 nan 8.190 nan 0.000 0.426 490 E N 3.138 123.346 120.200 0.014 0.000 2.312 490 E HA 0.636 4.986 4.350 0.000 0.000 0.267 490 E C -2.959 173.645 176.600 0.008 0.000 0.894 490 E CA -2.141 54.266 56.400 0.011 0.000 0.773 490 E CB 2.783 32.489 29.700 0.010 0.000 1.241 490 E HN 0.574 nan 8.360 nan 0.000 0.432 491 P HA -0.045 nan 4.420 nan 0.000 0.269 491 P C 0.310 177.612 177.300 0.005 0.000 1.215 491 P CA -0.277 62.826 63.100 0.005 0.000 0.780 491 P CB 0.558 32.260 31.700 0.003 0.000 0.898 492 L N 3.214 124.439 121.223 0.004 0.000 2.191 492 L HA -0.116 4.225 4.340 0.000 0.000 0.212 492 L C 2.181 179.052 176.870 0.003 0.000 1.103 492 L CA 1.772 56.614 54.840 0.004 0.000 0.769 492 L CB -0.793 41.267 42.059 0.002 0.000 0.908 492 L HN 0.304 nan 8.230 nan 0.000 0.438 493 R N -1.293 119.208 120.500 0.003 0.000 2.189 493 R HA -0.088 4.252 4.340 0.000 0.000 0.223 493 R C 1.962 178.264 176.300 0.003 0.000 1.092 493 R CA 1.209 57.311 56.100 0.003 0.000 0.989 493 R CB -0.056 30.245 30.300 0.002 0.000 0.876 493 R HN 0.365 nan 8.270 nan 0.000 0.457 494 V N 1.106 121.022 119.914 0.003 0.000 2.358 494 V HA -0.224 3.896 4.120 0.000 0.000 0.246 494 V C 2.159 178.253 176.094 0.001 0.000 1.047 494 V CA 1.637 63.938 62.300 0.002 0.000 1.035 494 V CB -0.255 31.569 31.823 0.002 0.000 0.658 494 V HN 0.239 nan 8.190 nan 0.000 0.452 495 K N 0.477 120.878 120.400 0.003 0.000 2.098 495 K HA -0.034 4.286 4.320 0.000 0.000 0.203 495 K C 2.360 178.965 176.600 0.007 0.000 1.051 495 K CA 1.700 57.989 56.287 0.003 0.000 0.957 495 K CB -1.069 31.434 32.500 0.005 0.000 0.738 495 K HN 0.676 nan 8.250 nan 0.000 0.447 496 T N -0.365 114.193 114.554 0.008 0.000 2.788 496 T HA -0.188 4.162 4.350 0.000 0.000 0.268 496 T C 2.115 176.823 174.700 0.013 0.000 1.044 496 T CA 1.354 63.460 62.100 0.010 0.000 1.139 496 T CB -0.087 68.784 68.868 0.005 0.000 0.867 496 T HN 0.051 nan 8.240 nan 0.000 0.454 497 Q N 1.757 121.562 119.800 0.009 0.000 2.083 497 Q HA 0.232 4.572 4.340 0.000 0.000 0.198 497 Q C 2.476 178.482 176.000 0.011 0.000 0.969 497 Q CA 1.712 57.520 55.803 0.010 0.000 0.838 497 Q CB -0.958 27.783 28.738 0.006 0.000 0.900 497 Q HN 0.632 nan 8.270 nan 0.000 0.436 498 A N 0.245 123.068 122.820 0.005 0.000 1.908 498 A HA -0.156 4.164 4.320 0.000 0.000 0.218 498 A C 2.107 179.692 177.584 0.002 0.000 1.181 498 A CA 1.605 53.641 52.037 -0.001 0.000 0.627 498 A CB -0.708 18.286 19.000 -0.010 0.000 0.818 498 A HN 0.496 nan 8.150 nan 0.000 0.445 499 I N -1.441 119.139 120.570 0.017 0.000 2.333 499 I HA -0.196 3.974 4.170 0.000 0.000 0.246 499 I C 2.736 178.901 176.117 0.080 0.000 1.106 499 I CA 1.464 62.792 61.300 0.047 0.000 1.411 499 I CB -0.230 37.819 38.000 0.081 0.000 1.082 499 I HN 0.351 nan 8.210 nan 0.000 0.420 500 Q N 1.178 121.012 119.800 0.058 0.000 2.050 500 Q HA -0.197 4.144 4.340 0.000 0.000 0.202 500 Q C 2.370 178.401 176.000 0.052 0.000 0.980 500 Q CA 2.585 58.421 55.803 0.055 0.000 0.840 500 Q CB -0.258 28.499 28.738 0.032 0.000 0.898 500 Q HN 0.548 nan 8.270 nan 0.000 0.424 501 S N -0.826 114.895 115.700 0.035 0.000 2.406 501 S HA 0.012 4.483 4.470 0.000 0.000 0.228 501 S C 2.033 176.653 174.600 0.032 0.000 1.020 501 S CA 0.793 59.011 58.200 0.030 0.000 0.965 501 S CB -0.440 62.771 63.200 0.019 0.000 0.798 501 S HN 0.424 nan 8.310 nan 0.000 0.488 502 A N 1.745 124.579 122.820 0.024 0.000 1.968 502 A HA 0.444 4.764 4.320 0.000 0.000 0.217 502 A C 2.454 180.066 177.584 0.047 0.000 1.169 502 A CA 1.398 53.441 52.037 0.010 0.000 0.638 502 A CB -1.226 17.750 19.000 -0.041 0.000 0.812 502 A HN 0.810 nan 8.150 nan 0.000 0.446 503 A N -0.267 122.612 122.820 0.098 0.000 1.930 503 A HA -0.059 4.261 4.320 0.000 0.000 0.215 503 A C 1.900 179.580 177.584 0.160 0.000 1.176 503 A CA 1.387 53.538 52.037 0.190 0.000 0.632 503 A CB -0.362 18.799 19.000 0.270 0.000 0.819 503 A HN 0.584 nan 8.150 nan 0.000 0.445 504 E N 0.261 120.525 120.200 0.105 0.000 2.107 504 E HA -0.119 4.231 4.350 0.000 0.000 0.191 504 E C 2.354 179.000 176.600 0.076 0.000 0.982 504 E CA 1.288 57.738 56.400 0.084 0.000 0.809 504 E CB -0.089 29.646 29.700 0.058 0.000 0.756 504 E HN 0.786 nan 8.360 nan 0.000 0.459 505 S N 0.482 116.223 115.700 0.068 0.000 2.377 505 S HA -0.126 4.344 4.470 0.000 0.000 0.223 505 S C 2.295 176.936 174.600 0.069 0.000 1.030 505 S CA 1.390 59.624 58.200 0.057 0.000 0.970 505 S CB -0.661 62.563 63.200 0.040 0.000 0.830 505 S HN 0.313 nan 8.310 nan 0.000 0.473 506 T N -0.027 114.582 114.554 0.093 0.000 2.995 506 T HA 0.117 4.467 4.350 0.000 0.000 0.269 506 T C 1.529 176.314 174.700 0.141 0.000 1.091 506 T CA 0.928 63.097 62.100 0.116 0.000 1.128 506 T CB -0.521 68.438 68.868 0.152 0.000 0.891 506 T HN 0.522 nan 8.240 nan 0.000 0.492 507 E N 0.491 120.787 120.200 0.160 0.000 2.204 507 E HA -0.019 4.331 4.350 0.000 0.000 0.194 507 E C 2.010 178.655 176.600 0.076 0.000 0.989 507 E CA 1.072 57.552 56.400 0.133 0.000 0.824 507 E CB -0.216 29.569 29.700 0.142 0.000 0.756 507 E HN 0.616 nan 8.360 nan 0.000 0.477 508 M N 0.234 119.875 119.600 0.069 0.000 2.248 508 M HA -0.050 4.430 4.480 0.000 0.000 0.265 508 M C 1.881 178.207 176.300 0.044 0.000 1.079 508 M CA 1.049 56.379 55.300 0.051 0.000 1.150 508 M CB 0.189 32.818 32.600 0.048 0.000 1.366 508 M HN 0.057 nan 8.290 nan 0.000 0.433 509 L N 0.706 121.956 121.223 0.045 0.000 2.042 509 L HA -0.223 4.117 4.340 0.000 0.000 0.210 509 L C 2.367 179.253 176.870 0.027 0.000 1.076 509 L CA 1.267 56.129 54.840 0.037 0.000 0.749 509 L CB -0.754 41.326 42.059 0.035 0.000 0.893 509 L HN 0.389 nan 8.230 nan 0.000 0.432 510 L N -0.714 120.523 121.223 0.022 0.000 2.191 510 L HA -0.191 4.149 4.340 0.000 0.000 0.212 510 L C 2.598 179.467 176.870 -0.002 0.000 1.103 510 L CA 1.027 55.865 54.840 -0.004 0.000 0.769 510 L CB -0.442 41.597 42.059 -0.033 0.000 0.908 510 L HN 0.220 nan 8.230 nan 0.000 0.438 511 R N -0.200 120.309 120.500 0.016 0.000 2.276 511 R HA 0.093 4.433 4.340 0.000 0.000 0.203 511 R C 0.499 176.811 176.300 0.021 0.000 1.017 511 R CA 0.262 56.376 56.100 0.023 0.000 1.010 511 R CB -0.088 30.231 30.300 0.032 0.000 0.900 511 R HN 0.290 nan 8.270 nan 0.000 0.469 512 I N 2.119 122.702 120.570 0.022 0.000 2.441 512 I HA -0.051 4.119 4.170 0.000 0.000 0.287 512 I C 0.908 177.036 176.117 0.019 0.000 1.049 512 I CA 0.173 61.489 61.300 0.027 0.000 1.381 512 I CB 0.981 39.004 38.000 0.039 0.000 1.409 512 I HN 0.115 nan 8.210 nan 0.000 0.523 513 D N 3.546 123.958 120.400 0.021 0.000 2.486 513 D HA 0.069 4.709 4.640 0.000 0.000 0.243 513 D C -0.084 176.234 176.300 0.029 0.000 1.146 513 D CA 0.053 54.061 54.000 0.013 0.000 0.821 513 D CB 0.712 41.510 40.800 -0.004 0.000 1.201 513 D HN 0.418 nan 8.370 nan 0.000 0.525 514 D N 0.423 120.845 120.400 0.038 0.000 2.934 514 D HA 0.370 5.011 4.640 0.000 0.000 0.230 514 D C -1.306 175.025 176.300 0.051 0.000 1.204 514 D CA -0.450 53.574 54.000 0.041 0.000 0.873 514 D CB 3.032 43.843 40.800 0.019 0.000 1.645 514 D HN -0.190 nan 8.370 nan 0.000 0.502 515 V N 3.841 123.794 119.914 0.064 0.000 2.735 515 V HA 0.555 4.675 4.120 0.000 0.000 0.310 515 V C 0.043 176.124 176.094 -0.022 0.000 1.061 515 V CA -0.703 61.634 62.300 0.062 0.000 0.913 515 V CB 2.089 34.017 31.823 0.175 0.000 1.005 515 V HN 0.466 nan 8.190 nan 0.000 0.428 516 I N 3.585 124.138 120.570 -0.029 0.000 2.466 516 I HA 0.640 4.811 4.170 0.000 0.000 0.279 516 I C 0.104 176.184 176.117 -0.061 0.000 1.033 516 I CA -0.394 60.866 61.300 -0.067 0.000 1.123 516 I CB 1.554 39.527 38.000 -0.045 0.000 1.237 516 I HN 0.700 nan 8.210 nan 0.000 0.460 517 A N 5.032 127.794 122.820 -0.097 0.000 2.271 517 A HA 0.895 5.215 4.320 0.000 0.000 0.317 517 A C 0.045 177.587 177.584 -0.069 0.000 1.245 517 A CA -0.328 51.667 52.037 -0.070 0.000 0.857 517 A CB 0.965 19.929 19.000 -0.061 0.000 1.175 517 A HN 0.716 nan 8.150 nan 0.000 0.512 518 A N 1.764 124.556 122.820 -0.046 0.000 2.247 518 A HA 0.779 5.099 4.320 0.000 0.000 0.313 518 A C 0.480 178.045 177.584 -0.031 0.000 1.109 518 A CA 0.172 52.185 52.037 -0.039 0.000 0.890 518 A CB 0.120 19.102 19.000 -0.029 0.000 1.239 518 A HN 1.229 nan 8.150 nan 0.000 0.506 519 E N 0.000 120.185 120.200 -0.026 0.000 2.725 519 E HA 0.000 4.350 4.350 0.000 0.000 0.291 519 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 519 E CB 0.000 29.691 29.700 -0.014 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440