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 3kfe_1_D 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 XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXETASEMLK 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 0.000 175.483 175.510 -0.045 0.000 1.280 11 N CA 0.000 53.031 53.050 -0.031 0.000 0.885 11 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 12 M N 0.255 119.819 119.600 -0.061 0.000 1.778 12 M HA 0.239 4.718 4.480 -0.002 0.000 0.200 12 M C -0.540 175.715 176.300 -0.076 0.000 1.294 12 M CA 0.347 55.614 55.300 -0.056 0.000 0.913 12 M CB 0.916 33.486 32.600 -0.051 0.000 1.645 12 M HN 0.043 nan 8.290 nan 0.000 0.598 13 K N 1.334 121.655 120.400 -0.132 0.000 2.471 13 K HA 0.597 4.916 4.320 -0.002 0.000 0.252 13 K C -1.073 175.308 176.600 -0.365 0.000 0.938 13 K CA -0.454 55.699 56.287 -0.223 0.000 0.796 13 K CB 3.202 35.552 32.500 -0.251 0.000 1.161 13 K HN 0.028 nan 8.250 nan 0.000 0.425 14 R N 2.619 122.896 120.500 -0.372 0.000 2.604 14 R HA 0.377 4.716 4.340 -0.002 0.000 0.281 14 R C -1.671 174.476 176.300 -0.255 0.000 1.020 14 R CA -0.600 55.287 56.100 -0.355 0.000 0.899 14 R CB 0.985 31.200 30.300 -0.141 0.000 1.205 14 R HN 0.419 nan 8.270 nan 0.000 0.450 15 Y N 3.589 123.883 120.300 -0.011 0.000 2.352 15 Y HA 0.462 5.011 4.550 -0.002 0.000 0.339 15 Y C 0.064 175.962 175.900 -0.003 0.000 0.992 15 Y CA -1.255 56.842 58.100 -0.005 0.000 1.100 15 Y CB 1.872 40.331 38.460 -0.001 0.000 1.192 15 Y HN 0.310 nan 8.280 nan 0.000 0.458 16 M N 2.281 121.979 119.600 0.163 0.000 2.238 16 M HA 0.387 4.866 4.480 -0.002 0.000 0.350 16 M C 1.096 177.429 176.300 0.055 0.000 1.138 16 M CA -0.078 55.270 55.300 0.080 0.000 1.040 16 M CB 0.961 33.593 32.600 0.055 0.000 1.639 16 M HN 0.930 nan 8.290 nan 0.000 0.451 17 G N 4.267 113.088 108.800 0.034 0.000 2.672 17 G HA2 -0.395 3.564 3.960 -0.002 0.000 0.332 17 G HA3 -0.395 3.564 3.960 -0.002 0.000 0.332 17 G C 0.989 175.892 174.900 0.004 0.000 1.213 17 G CA 1.004 46.109 45.100 0.009 0.000 0.980 17 G HN 0.715 nan 8.290 nan 0.000 0.548 18 R N 0.727 121.223 120.500 -0.007 0.000 2.241 18 R HA 0.091 4.430 4.340 -0.002 0.000 0.224 18 R C 2.112 178.406 176.300 -0.011 0.000 1.101 18 R CA 1.389 57.481 56.100 -0.014 0.000 0.995 18 R CB -0.244 30.044 30.300 -0.019 0.000 0.870 18 R HN 0.492 nan 8.270 nan 0.000 0.463 19 D N 0.107 120.506 120.400 -0.002 0.000 2.137 19 D HA 0.003 4.642 4.640 -0.002 0.000 0.202 19 D C 1.756 178.056 176.300 -0.001 0.000 0.970 19 D CA 1.351 55.338 54.000 -0.022 0.000 0.837 19 D CB -0.075 40.713 40.800 -0.019 0.000 0.981 19 D HN 0.216 nan 8.370 nan 0.000 0.475 20 A N 0.351 123.211 122.820 0.068 0.000 1.968 20 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 20 A C 2.094 179.724 177.584 0.076 0.000 1.169 20 A CA 1.154 53.264 52.037 0.121 0.000 0.638 20 A CB -0.399 18.680 19.000 0.131 0.000 0.812 20 A HN 0.165 nan 8.150 nan 0.000 0.446 21 Q N -1.000 118.823 119.800 0.037 0.000 2.049 21 Q HA -0.122 4.217 4.340 -0.002 0.000 0.198 21 Q C 2.348 178.356 176.000 0.012 0.000 0.971 21 Q CA 1.571 57.386 55.803 0.020 0.000 0.833 21 Q CB -0.144 28.593 28.738 -0.002 0.000 0.896 21 Q HN 0.665 nan 8.270 nan 0.000 0.434 22 R N 0.020 120.518 120.500 -0.003 0.000 2.105 22 R HA -0.185 4.154 4.340 -0.002 0.000 0.239 22 R C 2.083 178.375 176.300 -0.012 0.000 1.135 22 R CA 1.423 57.513 56.100 -0.015 0.000 0.967 22 R CB -0.105 30.177 30.300 -0.030 0.000 0.861 22 R HN 0.171 nan 8.270 nan 0.000 0.442 23 M N 0.977 120.577 119.600 0.001 0.000 2.065 23 M HA -0.166 4.313 4.480 -0.002 0.000 0.259 23 M C 1.417 177.764 176.300 0.079 0.000 1.069 23 M CA 1.852 57.181 55.300 0.049 0.000 1.110 23 M CB -0.288 32.364 32.600 0.085 0.000 1.328 23 M HN 0.192 nan 8.290 nan 0.000 0.405 24 N N -0.243 118.503 118.700 0.077 0.000 2.207 24 N HA -0.004 4.735 4.740 -0.002 0.000 0.182 24 N C 1.859 177.348 175.510 -0.035 0.000 1.020 24 N CA 1.496 54.563 53.050 0.029 0.000 0.858 24 N CB -0.400 38.128 38.487 0.068 0.000 0.991 24 N HN 0.419 nan 8.380 nan 0.000 0.427 25 I N 0.876 121.439 120.570 -0.013 0.000 2.361 25 I HA -0.206 3.963 4.170 -0.002 0.000 0.251 25 I C 2.244 178.338 176.117 -0.039 0.000 1.133 25 I CA 0.723 62.011 61.300 -0.019 0.000 1.413 25 I CB -0.115 37.881 38.000 -0.008 0.000 1.073 25 I HN 0.072 nan 8.210 nan 0.000 0.424 26 L N 0.800 121.996 121.223 -0.046 0.000 2.068 26 L HA -0.056 4.283 4.340 -0.002 0.000 0.204 26 L C 2.722 179.534 176.870 -0.096 0.000 1.076 26 L CA 1.484 56.291 54.840 -0.055 0.000 0.753 26 L CB -0.335 41.700 42.059 -0.040 0.000 0.910 26 L HN 0.138 nan 8.230 nan 0.000 0.439 27 A N -0.231 122.487 122.820 -0.171 0.000 1.940 27 A HA -0.160 4.159 4.320 -0.002 0.000 0.219 27 A C 2.244 179.695 177.584 -0.223 0.000 1.176 27 A CA 1.739 53.580 52.037 -0.326 0.000 0.631 27 A CB -1.517 16.935 19.000 -0.913 0.000 0.814 27 A HN 0.559 nan 8.150 nan 0.000 0.446 28 G N -0.519 108.187 108.800 -0.156 0.000 2.434 28 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.214 28 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.214 28 G C 1.683 176.539 174.900 -0.072 0.000 1.202 28 G CA 0.756 45.799 45.100 -0.095 0.000 0.788 28 G HN 0.568 nan 8.290 nan 0.000 0.539 29 R N -0.236 120.227 120.500 -0.061 0.000 2.200 29 R HA 0.052 4.391 4.340 -0.002 0.000 0.234 29 R C 2.400 178.671 176.300 -0.048 0.000 1.127 29 R CA 0.714 56.785 56.100 -0.048 0.000 0.989 29 R CB -0.291 29.985 30.300 -0.040 0.000 0.869 29 R HN 0.398 nan 8.270 nan 0.000 0.459 30 I N 0.801 121.336 120.570 -0.057 0.000 2.400 30 I HA -0.180 3.989 4.170 -0.002 0.000 0.248 30 I C 2.259 178.351 176.117 -0.042 0.000 1.109 30 I CA 0.894 62.165 61.300 -0.047 0.000 1.425 30 I CB -0.029 37.941 38.000 -0.050 0.000 1.094 30 I HN 0.138 nan 8.210 nan 0.000 0.425 31 I N -1.283 119.257 120.570 -0.049 0.000 2.830 31 I HA -0.030 4.139 4.170 -0.002 0.000 0.263 31 I C 2.478 178.574 176.117 -0.034 0.000 1.230 31 I CA 1.037 62.315 61.300 -0.036 0.000 1.480 31 I CB -0.673 37.306 38.000 -0.036 0.000 1.095 31 I HN 0.018 nan 8.210 nan 0.000 0.455 32 A N 1.954 124.751 122.820 -0.039 0.000 1.855 32 A HA -0.154 4.165 4.320 -0.002 0.000 0.215 32 A C 2.162 179.726 177.584 -0.034 0.000 1.191 32 A CA 1.541 53.556 52.037 -0.038 0.000 0.613 32 A CB -0.686 18.288 19.000 -0.043 0.000 0.829 32 A HN 0.510 nan 8.150 nan 0.000 0.442 33 E N -0.889 119.291 120.200 -0.033 0.000 2.472 33 E HA -0.071 4.278 4.350 -0.002 0.000 0.200 33 E C 1.434 178.020 176.600 -0.024 0.000 1.046 33 E CA 0.967 57.350 56.400 -0.028 0.000 0.871 33 E CB -0.135 29.549 29.700 -0.027 0.000 0.806 33 E HN 0.519 nan 8.360 nan 0.000 0.533 34 T N -0.614 113.926 114.554 -0.024 0.000 3.067 34 T HA -0.039 4.310 4.350 -0.002 0.000 0.261 34 T C 1.553 176.242 174.700 -0.018 0.000 1.110 34 T CA 0.984 63.072 62.100 -0.019 0.000 1.113 34 T CB 0.389 69.246 68.868 -0.018 0.000 0.917 34 T HN 0.185 nan 8.240 nan 0.000 0.499 35 V N -2.267 117.635 119.914 -0.021 0.000 3.502 35 V HA 0.413 4.532 4.120 -0.002 0.000 0.288 35 V C 1.885 177.966 176.094 -0.022 0.000 1.461 35 V CA -0.232 62.057 62.300 -0.019 0.000 1.029 35 V CB -0.331 31.481 31.823 -0.019 0.000 0.843 35 V HN 0.098 nan 8.190 nan 0.000 0.438 36 R N 2.306 122.792 120.500 -0.025 0.000 2.174 36 R HA -0.191 4.148 4.340 -0.002 0.000 0.253 36 R C 2.407 178.694 176.300 -0.023 0.000 1.165 36 R CA 2.120 58.204 56.100 -0.027 0.000 0.984 36 R CB -0.365 29.918 30.300 -0.028 0.000 0.873 36 R HN 0.808 nan 8.270 nan 0.000 0.456 37 S N -0.928 114.761 115.700 -0.019 0.000 2.562 37 S HA -0.059 4.410 4.470 -0.002 0.000 0.221 37 S C 1.666 176.258 174.600 -0.013 0.000 0.975 37 S CA 1.045 59.236 58.200 -0.016 0.000 0.918 37 S CB 0.186 63.378 63.200 -0.013 0.000 0.772 37 S HN 0.420 nan 8.310 nan 0.000 0.531 38 T N -0.794 113.751 114.554 -0.014 0.000 3.086 38 T HA 0.355 4.704 4.350 -0.002 0.000 0.250 38 T C 0.324 175.017 174.700 -0.012 0.000 1.074 38 T CA -0.481 61.613 62.100 -0.010 0.000 0.988 38 T CB -0.468 68.394 68.868 -0.009 0.000 0.988 38 T HN 0.344 nan 8.240 nan 0.000 0.530 39 L N 2.417 123.629 121.223 -0.019 0.000 2.361 39 L HA 0.554 4.893 4.340 -0.002 0.000 0.278 39 L C 0.757 177.610 176.870 -0.028 0.000 1.113 39 L CA 1.250 56.076 54.840 -0.024 0.000 0.849 39 L CB -0.299 41.742 42.059 -0.031 0.000 1.155 39 L HN 0.669 nan 8.230 nan 0.000 0.452 40 G N 4.096 112.879 108.800 -0.027 0.000 2.661 40 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.685 40 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.685 40 G C -2.576 172.315 174.900 -0.015 0.000 1.298 40 G CA -0.465 44.612 45.100 -0.038 0.000 0.855 40 G HN 0.454 nan 8.290 nan 0.000 0.560 41 P HA 0.054 nan 4.420 nan 0.000 0.217 41 P C 1.301 178.644 177.300 0.072 0.000 1.151 41 P CA 1.192 64.329 63.100 0.061 0.000 0.828 41 P CB 0.140 31.916 31.700 0.127 0.000 0.788 42 K N 0.323 120.738 120.400 0.024 0.000 2.627 42 K HA 0.247 4.566 4.320 -0.002 0.000 0.212 42 K C 0.967 177.576 176.600 0.015 0.000 1.041 42 K CA 0.061 56.370 56.287 0.037 0.000 1.205 42 K CB -0.467 32.042 32.500 0.015 0.000 0.936 42 K HN 0.115 nan 8.250 nan 0.000 0.489 43 G N 0.409 109.216 108.800 0.012 0.000 2.462 43 G HA2 0.483 4.442 3.960 -0.002 0.000 0.319 43 G HA3 0.483 4.442 3.960 -0.002 0.000 0.319 43 G C -0.082 174.824 174.900 0.010 0.000 1.171 43 G CA -0.558 44.545 45.100 0.004 0.000 0.920 43 G HN -0.050 nan 8.290 nan 0.000 0.499 44 M N 0.352 119.955 119.600 0.004 0.000 2.573 44 M HA 0.388 4.867 4.480 -0.002 0.000 0.309 44 M C -0.935 175.365 176.300 0.000 0.000 1.202 44 M CA -0.675 54.627 55.300 0.004 0.000 0.975 44 M CB 1.793 34.394 32.600 0.000 0.000 1.600 44 M HN 0.343 nan 8.290 nan 0.000 0.479 45 D N 1.228 121.628 120.400 -0.001 0.000 2.217 45 D HA 0.380 5.019 4.640 -0.002 0.000 0.248 45 D C -0.406 175.888 176.300 -0.010 0.000 1.008 45 D CA -0.246 53.752 54.000 -0.004 0.000 0.914 45 D CB 1.228 42.025 40.800 -0.004 0.000 1.182 45 D HN 0.137 nan 8.370 nan 0.000 0.451 46 K N 1.398 121.790 120.400 -0.013 0.000 2.213 46 K HA 0.348 4.667 4.320 -0.002 0.000 0.270 46 K C -0.202 176.382 176.600 -0.026 0.000 1.002 46 K CA -0.546 55.731 56.287 -0.017 0.000 0.868 46 K CB 2.073 34.564 32.500 -0.015 0.000 1.093 46 K HN 0.475 nan 8.250 nan 0.000 0.454 47 M N 4.151 123.732 119.600 -0.032 0.000 2.264 47 M HA 0.315 4.793 4.480 -0.002 0.000 0.352 47 M C -1.269 175.005 176.300 -0.043 0.000 1.173 47 M CA -0.523 54.747 55.300 -0.049 0.000 1.075 47 M CB 0.611 33.176 32.600 -0.058 0.000 1.621 47 M HN 0.600 nan 8.290 nan 0.000 0.457 48 L N 6.314 127.506 121.223 -0.051 0.000 2.490 48 L HA 0.426 4.765 4.340 -0.002 0.000 0.256 48 L C -1.122 175.728 176.870 -0.033 0.000 1.089 48 L CA -0.612 54.208 54.840 -0.034 0.000 0.916 48 L CB 1.418 43.462 42.059 -0.025 0.000 1.188 48 L HN 0.607 nan 8.230 nan 0.000 0.476 49 V N 1.704 121.601 119.914 -0.030 0.000 3.319 49 V HA 0.227 4.346 4.120 -0.002 0.000 0.303 49 V C 0.275 176.363 176.094 -0.011 0.000 1.094 49 V CA -0.149 62.138 62.300 -0.022 0.000 1.106 49 V CB 1.228 33.040 31.823 -0.018 0.000 1.099 49 V HN 0.811 nan 8.190 nan 0.000 0.476 50 D N 0.697 121.094 120.400 -0.004 0.000 2.574 50 D HA 0.187 4.826 4.640 -0.002 0.000 0.210 50 D C 0.384 176.685 176.300 0.002 0.000 1.277 50 D CA 0.251 54.251 54.000 0.001 0.000 1.121 50 D CB -0.168 40.635 40.800 0.004 0.000 1.192 50 D HN 0.513 nan 8.370 nan 0.000 0.602 51 D N -1.375 119.028 120.400 0.004 0.000 2.369 51 D HA 0.103 4.742 4.640 -0.002 0.000 0.211 51 D C 0.918 177.222 176.300 0.006 0.000 1.077 51 D CA -0.032 53.971 54.000 0.004 0.000 0.842 51 D CB -0.182 40.621 40.800 0.005 0.000 0.947 51 D HN 0.267 nan 8.370 nan 0.000 0.509 52 L N -0.054 121.174 121.223 0.007 0.000 2.965 52 L HA 0.414 4.753 4.340 -0.002 0.000 0.254 52 L C 1.440 178.317 176.870 0.011 0.000 1.220 52 L CA 0.035 54.881 54.840 0.010 0.000 1.023 52 L CB 0.447 42.513 42.059 0.012 0.000 1.355 52 L HN 0.241 nan 8.230 nan 0.000 0.545 53 G N -0.354 108.451 108.800 0.008 0.000 2.205 53 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.269 53 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.269 53 G C 0.101 175.009 174.900 0.013 0.000 0.977 53 G CA 0.446 45.551 45.100 0.009 0.000 0.652 53 G HN 0.400 nan 8.290 nan 0.000 0.539 54 D N 0.145 120.555 120.400 0.017 0.000 2.346 54 D HA 0.420 5.059 4.640 -0.002 0.000 0.260 54 D C 0.543 176.849 176.300 0.010 0.000 1.252 54 D CA 0.146 54.163 54.000 0.028 0.000 0.895 54 D CB 1.505 42.324 40.800 0.031 0.000 1.097 54 D HN 0.320 nan 8.370 nan 0.000 0.489 55 V N 3.537 123.448 119.914 -0.004 0.000 2.837 55 V HA 0.657 4.776 4.120 -0.002 0.000 0.310 55 V C -0.726 175.286 176.094 -0.135 0.000 1.059 55 V CA -0.425 61.818 62.300 -0.095 0.000 1.004 55 V CB 1.971 33.696 31.823 -0.164 0.000 1.045 55 V HN 0.232 nan 8.190 nan 0.000 0.465 56 V N 5.768 125.594 119.914 -0.147 0.000 2.737 56 V HA 0.464 4.583 4.120 -0.002 0.000 0.298 56 V C -0.934 175.098 176.094 -0.104 0.000 1.163 56 V CA -0.293 61.937 62.300 -0.117 0.000 0.925 56 V CB 2.239 34.060 31.823 -0.003 0.000 1.037 56 V HN 0.818 nan 8.190 nan 0.000 0.433 57 V N 5.521 125.365 119.914 -0.116 0.000 2.427 57 V HA 0.875 4.994 4.120 -0.002 0.000 0.286 57 V C 0.168 176.250 176.094 -0.020 0.000 1.034 57 V CA 0.015 62.273 62.300 -0.070 0.000 0.893 57 V CB 1.664 33.439 31.823 -0.080 0.000 0.982 57 V HN 0.993 nan 8.190 nan 0.000 0.452 58 T N 2.414 116.960 114.554 -0.013 0.000 2.830 58 T HA 0.266 4.615 4.350 -0.002 0.000 0.322 58 T C -0.018 174.681 174.700 -0.002 0.000 1.501 58 T CA -0.449 61.651 62.100 -0.000 0.000 1.036 58 T CB 1.843 70.714 68.868 0.004 0.000 1.379 58 T HN 0.673 nan 8.240 nan 0.000 0.493 59 N N 1.408 120.110 118.700 0.003 0.000 2.184 59 N HA 0.050 4.789 4.740 -0.002 0.000 0.206 59 N C -0.281 175.230 175.510 0.001 0.000 1.151 59 N CA -0.119 52.932 53.050 0.002 0.000 0.878 59 N CB 0.488 38.979 38.487 0.006 0.000 1.014 59 N HN 0.740 nan 8.380 nan 0.000 0.512 60 D N 0.422 120.823 120.400 0.002 0.000 2.346 60 D HA 0.061 4.700 4.640 -0.002 0.000 0.260 60 D C 1.224 177.522 176.300 -0.002 0.000 1.252 60 D CA 0.014 54.014 54.000 0.001 0.000 0.895 60 D CB 1.210 42.012 40.800 0.004 0.000 1.097 60 D HN 0.313 nan 8.370 nan 0.000 0.489 61 G N 3.563 112.360 108.800 -0.005 0.000 2.672 61 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.218 61 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.218 61 G C 1.516 176.412 174.900 -0.007 0.000 1.238 61 G CA 1.010 46.105 45.100 -0.008 0.000 0.791 61 G HN 0.507 nan 8.290 nan 0.000 0.606 62 V N 1.560 121.471 119.914 -0.005 0.000 2.287 62 V HA -0.221 3.898 4.120 -0.002 0.000 0.248 62 V C 3.353 179.446 176.094 -0.002 0.000 1.053 62 V CA 3.739 66.037 62.300 -0.004 0.000 1.027 62 V CB -1.007 30.815 31.823 -0.003 0.000 0.646 62 V HN 0.726 nan 8.190 nan 0.000 0.447 63 T N -1.401 113.153 114.554 -0.000 0.000 2.684 63 T HA -0.229 4.120 4.350 -0.002 0.000 0.267 63 T C 1.873 176.573 174.700 0.000 0.000 1.036 63 T CA 2.068 64.169 62.100 0.002 0.000 1.148 63 T CB -0.755 68.116 68.868 0.005 0.000 0.863 63 T HN 0.485 nan 8.240 nan 0.000 0.436 64 I N 1.173 121.742 120.570 -0.002 0.000 2.087 64 I HA -0.222 3.947 4.170 -0.002 0.000 0.240 64 I C 2.720 178.835 176.117 -0.004 0.000 1.054 64 I CA 1.767 63.064 61.300 -0.005 0.000 1.311 64 I CB -0.502 37.494 38.000 -0.007 0.000 1.024 64 I HN 0.249 nan 8.210 nan 0.000 0.402 65 L N -0.181 121.040 121.223 -0.004 0.000 1.976 65 L HA -0.220 4.119 4.340 -0.002 0.000 0.209 65 L C 2.824 179.695 176.870 0.000 0.000 1.071 65 L CA 1.404 56.242 54.840 -0.003 0.000 0.746 65 L CB -0.639 41.417 42.059 -0.005 0.000 0.890 65 L HN 0.153 nan 8.230 nan 0.000 0.432 66 R N 0.368 120.869 120.500 0.001 0.000 2.143 66 R HA -0.203 4.136 4.340 -0.002 0.000 0.239 66 R C 1.282 177.585 176.300 0.005 0.000 1.126 66 R CA 1.801 57.904 56.100 0.004 0.000 0.927 66 R CB -0.431 29.871 30.300 0.004 0.000 0.860 66 R HN 0.439 nan 8.270 nan 0.000 0.433 67 E N 1.125 121.327 120.200 0.004 0.000 2.424 67 E HA 0.034 4.383 4.350 -0.002 0.000 0.237 67 E C 0.033 176.635 176.600 0.003 0.000 1.381 67 E CA -0.061 56.342 56.400 0.004 0.000 1.587 67 E CB -0.115 29.588 29.700 0.005 0.000 1.398 67 E HN 0.326 nan 8.360 nan 0.000 0.439 68 M N -2.214 117.388 119.600 0.004 0.000 2.518 68 M HA 0.427 4.906 4.480 -0.002 0.000 0.300 68 M C -0.719 175.586 176.300 0.008 0.000 1.175 68 M CA -0.755 54.547 55.300 0.004 0.000 0.890 68 M CB 2.144 34.745 32.600 0.001 0.000 1.710 68 M HN -0.338 nan 8.290 nan 0.000 0.453 69 S N 2.538 118.244 115.700 0.009 0.000 3.024 69 S HA 0.285 4.754 4.470 -0.002 0.000 0.316 69 S C -0.229 174.383 174.600 0.019 0.000 1.197 69 S CA -0.505 57.703 58.200 0.013 0.000 1.097 69 S CB -0.743 62.464 63.200 0.012 0.000 1.471 69 S HN 0.465 nan 8.310 nan 0.000 0.543 70 V N 3.977 123.904 119.914 0.022 0.000 2.407 70 V HA 0.260 4.379 4.120 -0.002 0.000 0.278 70 V C 0.836 176.958 176.094 0.047 0.000 1.037 70 V CA -0.242 62.077 62.300 0.033 0.000 0.900 70 V CB 1.508 33.346 31.823 0.026 0.000 0.983 70 V HN 0.625 nan 8.190 nan 0.000 0.459 71 E N 1.466 121.706 120.200 0.067 0.000 2.256 71 E HA 0.076 4.425 4.350 -0.002 0.000 0.198 71 E C 0.823 177.485 176.600 0.103 0.000 0.908 71 E CA 0.122 56.561 56.400 0.066 0.000 0.915 71 E CB -0.091 29.637 29.700 0.047 0.000 0.890 71 E HN 0.714 nan 8.360 nan 0.000 0.484 72 H N 3.694 122.776 119.070 0.021 0.000 3.094 72 H HA -0.028 4.527 4.556 -0.002 0.000 0.320 72 H C -1.564 173.780 175.328 0.026 0.000 1.000 72 H CA -0.968 55.098 56.048 0.029 0.000 1.413 72 H CB 1.061 30.841 29.762 0.030 0.000 1.405 72 H HN -0.073 nan 8.280 nan 0.000 0.586 73 P HA -0.155 nan 4.420 nan 0.000 0.216 73 P C 1.168 178.620 177.300 0.253 0.000 1.153 73 P CA 1.803 65.035 63.100 0.219 0.000 0.848 73 P CB 0.053 31.814 31.700 0.102 0.000 0.787 74 A N 1.192 124.247 122.820 0.392 0.000 1.851 74 A HA -0.145 4.174 4.320 -0.002 0.000 0.216 74 A C 2.601 180.183 177.584 -0.002 0.000 1.195 74 A CA 2.757 54.852 52.037 0.097 0.000 0.622 74 A CB -1.733 17.242 19.000 -0.042 0.000 0.831 74 A HN 0.223 nan 8.150 nan 0.000 0.444 75 A N -0.480 122.282 122.820 -0.096 0.000 1.948 75 A HA -0.234 4.085 4.320 -0.002 0.000 0.220 75 A C 2.048 179.633 177.584 0.003 0.000 1.177 75 A CA 2.080 54.078 52.037 -0.065 0.000 0.636 75 A CB -0.568 18.379 19.000 -0.088 0.000 0.815 75 A HN 0.573 nan 8.150 nan 0.000 0.449 76 K N -1.218 119.210 120.400 0.046 0.000 2.293 76 K HA -0.126 4.193 4.320 -0.002 0.000 0.204 76 K C 1.631 178.247 176.600 0.027 0.000 1.045 76 K CA 1.708 58.020 56.287 0.041 0.000 0.933 76 K CB -0.233 32.300 32.500 0.056 0.000 0.736 76 K HN 0.605 nan 8.250 nan 0.000 0.463 77 M N -0.787 118.828 119.600 0.025 0.000 2.461 77 M HA 0.014 4.493 4.480 -0.002 0.000 0.255 77 M C 1.159 177.464 176.300 0.009 0.000 1.137 77 M CA 0.211 55.523 55.300 0.020 0.000 1.086 77 M CB 0.326 32.943 32.600 0.028 0.000 1.356 77 M HN 0.007 nan 8.290 nan 0.000 0.487 78 L N 0.659 121.881 121.223 -0.002 0.000 2.240 78 L HA 0.020 4.359 4.340 -0.002 0.000 0.211 78 L C 2.045 178.910 176.870 -0.007 0.000 1.106 78 L CA 1.414 56.248 54.840 -0.010 0.000 0.793 78 L CB -0.422 41.623 42.059 -0.023 0.000 0.927 78 L HN 0.253 nan 8.230 nan 0.000 0.446 79 I N -0.963 119.605 120.570 -0.003 0.000 2.756 79 I HA -0.182 3.987 4.170 -0.002 0.000 0.262 79 I C 2.095 178.213 176.117 0.002 0.000 1.225 79 I CA 0.452 61.751 61.300 -0.001 0.000 1.472 79 I CB -0.237 37.765 38.000 0.003 0.000 1.094 79 I HN 0.292 nan 8.210 nan 0.000 0.454 80 E N 0.777 120.979 120.200 0.005 0.000 2.051 80 E HA -0.156 4.193 4.350 -0.002 0.000 0.192 80 E C 2.461 179.062 176.600 0.003 0.000 0.991 80 E CA 1.153 57.557 56.400 0.006 0.000 0.799 80 E CB -0.343 29.363 29.700 0.010 0.000 0.748 80 E HN 0.315 nan 8.360 nan 0.000 0.449 81 V N 1.753 121.667 119.914 0.001 0.000 2.287 81 V HA -0.266 3.853 4.120 -0.002 0.000 0.248 81 V C 2.470 178.561 176.094 -0.005 0.000 1.053 81 V CA 1.955 64.253 62.300 -0.002 0.000 1.027 81 V CB -0.875 30.944 31.823 -0.007 0.000 0.646 81 V HN 0.262 nan 8.190 nan 0.000 0.447 82 A N -0.827 121.989 122.820 -0.007 0.000 1.969 82 A HA -0.210 4.109 4.320 -0.002 0.000 0.218 82 A C 2.324 179.905 177.584 -0.004 0.000 1.169 82 A CA 1.856 53.889 52.037 -0.008 0.000 0.635 82 A CB -0.414 18.580 19.000 -0.009 0.000 0.810 82 A HN 0.502 nan 8.150 nan 0.000 0.445 83 K N -0.644 119.755 120.400 -0.002 0.000 2.217 83 K HA -0.094 4.225 4.320 -0.002 0.000 0.202 83 K C 1.970 178.570 176.600 0.000 0.000 1.051 83 K CA 1.594 57.881 56.287 0.000 0.000 0.952 83 K CB -0.057 32.444 32.500 0.002 0.000 0.736 83 K HN 0.670 nan 8.250 nan 0.000 0.453 84 T N -2.523 112.031 114.554 0.000 0.000 3.037 84 T HA -0.037 4.312 4.350 -0.002 0.000 0.252 84 T C 1.724 176.423 174.700 -0.001 0.000 1.073 84 T CA 0.188 62.288 62.100 0.001 0.000 1.091 84 T CB 0.247 69.116 68.868 0.002 0.000 0.935 84 T HN 0.054 nan 8.240 nan 0.000 0.488 85 Q N 2.514 122.313 119.800 -0.003 0.000 2.020 85 Q HA -0.156 4.183 4.340 -0.002 0.000 0.202 85 Q C 2.217 178.215 176.000 -0.004 0.000 0.982 85 Q CA 2.492 58.293 55.803 -0.004 0.000 0.838 85 Q CB -0.494 28.239 28.738 -0.007 0.000 0.899 85 Q HN 0.843 nan 8.270 nan 0.000 0.423 86 E N -0.448 119.750 120.200 -0.004 0.000 2.160 86 E HA -0.288 4.061 4.350 -0.002 0.000 0.195 86 E C 1.802 178.401 176.600 -0.002 0.000 0.991 86 E CA 1.560 57.958 56.400 -0.003 0.000 0.810 86 E CB -0.214 29.485 29.700 -0.002 0.000 0.742 86 E HN 0.169 nan 8.360 nan 0.000 0.466 87 K N 0.396 120.795 120.400 -0.002 0.000 2.155 87 K HA -0.060 4.259 4.320 -0.002 0.000 0.203 87 K C 1.523 178.122 176.600 -0.002 0.000 1.052 87 K CA 1.311 57.597 56.287 -0.001 0.000 0.948 87 K CB 0.349 32.849 32.500 -0.000 0.000 0.728 87 K HN 0.116 nan 8.250 nan 0.000 0.448 88 E N -0.869 119.330 120.200 -0.002 0.000 2.498 88 E HA 0.107 4.456 4.350 -0.002 0.000 0.203 88 E C 0.567 177.166 176.600 -0.002 0.000 1.013 88 E CA 0.156 56.555 56.400 -0.002 0.000 0.927 88 E CB 1.091 30.791 29.700 -0.001 0.000 1.012 88 E HN 0.075 nan 8.360 nan 0.000 0.482 89 V N -1.840 118.072 119.914 -0.003 0.000 5.048 89 V HA 0.423 4.542 4.120 -0.002 0.000 0.133 89 V C 1.277 177.369 176.094 -0.003 0.000 1.124 89 V CA 0.417 62.715 62.300 -0.003 0.000 1.228 89 V CB 0.771 32.592 31.823 -0.004 0.000 1.711 89 V HN 0.212 nan 8.190 nan 0.000 0.586 90 G N -0.011 108.788 108.800 -0.003 0.000 3.345 90 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.199 90 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.199 90 G C -0.357 174.541 174.900 -0.003 0.000 1.057 90 G CA 0.356 45.455 45.100 -0.003 0.000 0.865 90 G HN 0.534 nan 8.290 nan 0.000 0.449 91 D N -0.323 120.075 120.400 -0.003 0.000 2.449 91 D HA 0.543 5.182 4.640 -0.002 0.000 0.250 91 D C 1.149 177.445 176.300 -0.006 0.000 1.050 91 D CA 0.889 54.887 54.000 -0.003 0.000 1.024 91 D CB 1.113 41.912 40.800 -0.002 0.000 1.218 91 D HN 1.335 nan 8.370 nan 0.000 0.566 92 G N 0.239 109.034 108.800 -0.009 0.000 2.246 92 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.273 92 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.273 92 G C 0.895 175.786 174.900 -0.014 0.000 1.055 92 G CA 1.248 46.340 45.100 -0.013 0.000 0.851 92 G HN 0.628 nan 8.290 nan 0.000 0.500 93 T N -3.862 110.685 114.554 -0.012 0.000 2.809 93 T HA -0.046 4.303 4.350 -0.002 0.000 0.260 93 T C 2.245 176.935 174.700 -0.017 0.000 1.039 93 T CA 2.137 64.230 62.100 -0.012 0.000 1.141 93 T CB -0.388 68.474 68.868 -0.009 0.000 0.869 93 T HN 0.250 nan 8.240 nan 0.000 0.437 94 T N 2.883 117.427 114.554 -0.017 0.000 2.684 94 T HA -0.143 4.206 4.350 -0.002 0.000 0.267 94 T C 2.435 177.118 174.700 -0.029 0.000 1.036 94 T CA 2.280 64.367 62.100 -0.022 0.000 1.148 94 T CB -1.049 67.807 68.868 -0.020 0.000 0.863 94 T HN 0.817 nan 8.240 nan 0.000 0.436 95 T N 0.868 115.404 114.554 -0.030 0.000 2.833 95 T HA 0.045 4.394 4.350 -0.002 0.000 0.269 95 T C 2.213 176.886 174.700 -0.045 0.000 1.054 95 T CA 1.096 63.172 62.100 -0.039 0.000 1.135 95 T CB -0.517 68.329 68.868 -0.038 0.000 0.869 95 T HN 0.349 nan 8.240 nan 0.000 0.466 96 A N 1.049 123.847 122.820 -0.037 0.000 1.898 96 A HA 0.122 4.441 4.320 -0.002 0.000 0.216 96 A C 2.630 180.188 177.584 -0.043 0.000 1.181 96 A CA 1.402 53.417 52.037 -0.038 0.000 0.620 96 A CB -1.028 17.956 19.000 -0.025 0.000 0.819 96 A HN 0.400 nan 8.150 nan 0.000 0.442 97 V N -0.403 119.489 119.914 -0.036 0.000 2.358 97 V HA -0.205 3.914 4.120 -0.002 0.000 0.246 97 V C 2.595 178.660 176.094 -0.048 0.000 1.047 97 V CA 1.879 64.157 62.300 -0.037 0.000 1.035 97 V CB -0.569 31.236 31.823 -0.029 0.000 0.658 97 V HN 0.368 nan 8.190 nan 0.000 0.452 98 V N -0.357 119.527 119.914 -0.050 0.000 2.261 98 V HA -0.238 3.881 4.120 -0.002 0.000 0.246 98 V C 2.434 178.482 176.094 -0.077 0.000 1.047 98 V CA 2.054 64.320 62.300 -0.057 0.000 1.015 98 V CB -0.469 31.322 31.823 -0.053 0.000 0.642 98 V HN 0.395 nan 8.190 nan 0.000 0.446 99 V N 0.324 120.182 119.914 -0.093 0.000 2.332 99 V HA -0.301 3.818 4.120 -0.002 0.000 0.248 99 V C 2.703 178.706 176.094 -0.151 0.000 1.055 99 V CA 2.081 64.298 62.300 -0.138 0.000 1.038 99 V CB -1.159 30.571 31.823 -0.155 0.000 0.651 99 V HN 0.581 nan 8.190 nan 0.000 0.450 100 A N 0.289 123.044 122.820 -0.109 0.000 1.978 100 A HA -0.110 4.209 4.320 -0.002 0.000 0.220 100 A C 2.389 179.930 177.584 -0.071 0.000 1.170 100 A CA 1.981 53.965 52.037 -0.088 0.000 0.636 100 A CB -1.068 17.899 19.000 -0.053 0.000 0.810 100 A HN 0.543 nan 8.150 nan 0.000 0.448 101 G N -0.661 108.099 108.800 -0.067 0.000 2.404 101 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.215 101 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.215 101 G C 1.425 176.291 174.900 -0.057 0.000 1.174 101 G CA 1.116 46.183 45.100 -0.054 0.000 0.780 101 G HN 0.553 nan 8.290 nan 0.000 0.537 102 E N 0.014 120.165 120.200 -0.081 0.000 2.338 102 E HA 0.077 4.426 4.350 -0.002 0.000 0.197 102 E C 2.365 178.904 176.600 -0.102 0.000 1.007 102 E CA 0.293 56.641 56.400 -0.087 0.000 0.849 102 E CB -0.233 29.404 29.700 -0.104 0.000 0.774 102 E HN 0.469 nan 8.360 nan 0.000 0.506 103 L N -0.460 120.681 121.223 -0.136 0.000 2.131 103 L HA -0.054 4.285 4.340 -0.002 0.000 0.206 103 L C 2.177 179.093 176.870 0.077 0.000 1.087 103 L CA 0.589 55.353 54.840 -0.126 0.000 0.767 103 L CB -0.246 41.641 42.059 -0.286 0.000 0.917 103 L HN 0.203 nan 8.230 nan 0.000 0.441 104 L N -0.485 120.763 121.223 0.040 0.000 2.083 104 L HA -0.203 4.136 4.340 -0.002 0.000 0.209 104 L C 2.811 179.702 176.870 0.035 0.000 1.083 104 L CA 1.136 56.008 54.840 0.053 0.000 0.752 104 L CB -0.509 41.560 42.059 0.016 0.000 0.899 104 L HN 0.264 nan 8.230 nan 0.000 0.433 105 R N 0.490 120.996 120.500 0.010 0.000 2.070 105 R HA -0.159 4.180 4.340 -0.002 0.000 0.233 105 R C 2.278 178.592 176.300 0.022 0.000 1.137 105 R CA 1.313 57.416 56.100 0.004 0.000 0.945 105 R CB 0.015 30.307 30.300 -0.013 0.000 0.845 105 R HN 0.136 nan 8.270 nan 0.000 0.430 106 K N 0.232 120.656 120.400 0.039 0.000 2.211 106 K HA -0.054 4.265 4.320 -0.002 0.000 0.203 106 K C 1.909 178.568 176.600 0.097 0.000 1.050 106 K CA 1.100 57.427 56.287 0.067 0.000 0.945 106 K CB -0.154 32.393 32.500 0.079 0.000 0.732 106 K HN 0.305 nan 8.250 nan 0.000 0.451 107 A N 2.051 124.944 122.820 0.122 0.000 1.972 107 A HA -0.195 4.124 4.320 -0.002 0.000 0.219 107 A C 1.973 179.559 177.584 0.004 0.000 1.169 107 A CA 1.696 53.768 52.037 0.059 0.000 0.635 107 A CB -0.327 18.712 19.000 0.065 0.000 0.810 107 A HN 0.553 nan 8.150 nan 0.000 0.446 108 E N -0.168 120.039 120.200 0.012 0.000 2.442 108 E HA -0.060 4.289 4.350 -0.002 0.000 0.195 108 E C 1.270 177.869 176.600 -0.003 0.000 1.030 108 E CA 0.685 57.082 56.400 -0.004 0.000 0.869 108 E CB -0.246 29.451 29.700 -0.005 0.000 0.857 108 E HN 0.700 nan 8.360 nan 0.000 0.505 109 E N 0.926 121.131 120.200 0.007 0.000 2.204 109 E HA -0.072 4.277 4.350 -0.002 0.000 0.194 109 E C 1.908 178.510 176.600 0.004 0.000 0.989 109 E CA 0.802 57.207 56.400 0.008 0.000 0.824 109 E CB 0.047 29.757 29.700 0.017 0.000 0.756 109 E HN 0.401 nan 8.360 nan 0.000 0.477 110 L N 0.024 121.247 121.223 0.000 0.000 2.298 110 L HA 0.008 4.347 4.340 -0.002 0.000 0.209 110 L C 2.186 179.045 176.870 -0.018 0.000 1.084 110 L CA 0.318 55.153 54.840 -0.008 0.000 0.816 110 L CB -0.145 41.902 42.059 -0.019 0.000 0.967 110 L HN 0.121 nan 8.230 nan 0.000 0.460 111 L N -0.363 120.845 121.223 -0.026 0.000 2.156 111 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 111 L C 1.562 178.416 176.870 -0.027 0.000 1.095 111 L CA 0.936 55.755 54.840 -0.034 0.000 0.770 111 L CB -0.329 41.707 42.059 -0.040 0.000 0.914 111 L HN 0.233 nan 8.230 nan 0.000 0.439 112 D N -0.231 120.158 120.400 -0.018 0.000 2.336 112 D HA -0.053 4.586 4.640 -0.002 0.000 0.229 112 D C 1.270 177.563 176.300 -0.010 0.000 1.061 112 D CA 0.563 54.554 54.000 -0.015 0.000 0.875 112 D CB 0.350 41.143 40.800 -0.012 0.000 0.904 112 D HN 0.475 nan 8.370 nan 0.000 0.525 113 Q N 0.069 119.864 119.800 -0.009 0.000 2.179 113 Q HA 0.111 4.450 4.340 -0.002 0.000 0.213 113 Q C -0.202 175.795 176.000 -0.004 0.000 0.833 113 Q CA -0.204 55.596 55.803 -0.004 0.000 0.990 113 Q CB 0.736 29.474 28.738 0.000 0.000 1.132 113 Q HN 0.119 nan 8.270 nan 0.000 0.493 114 N N -0.256 118.438 118.700 -0.011 0.000 2.776 114 N HA -0.136 4.603 4.740 -0.002 0.000 0.250 114 N C -0.498 175.013 175.510 0.002 0.000 1.112 114 N CA 0.447 53.491 53.050 -0.010 0.000 0.733 114 N CB -1.640 36.845 38.487 -0.004 0.000 1.097 114 N HN 0.041 nan 8.380 nan 0.000 0.558 115 V N 1.614 121.528 119.914 0.000 0.000 2.614 115 V HA 0.021 4.140 4.120 -0.002 0.000 0.291 115 V C 1.231 177.342 176.094 0.028 0.000 1.049 115 V CA -0.232 62.079 62.300 0.019 0.000 1.038 115 V CB 1.163 32.988 31.823 0.003 0.000 0.980 115 V HN 0.253 nan 8.190 nan 0.000 0.481 116 H N 7.364 126.418 119.070 -0.026 0.000 2.815 116 H HA 0.090 4.645 4.556 -0.002 0.000 0.350 116 H C -1.695 173.611 175.328 -0.037 0.000 1.080 116 H CA -1.430 54.604 56.048 -0.024 0.000 1.433 116 H CB 1.803 31.554 29.762 -0.018 0.000 1.432 116 H HN 0.380 nan 8.280 nan 0.000 0.592 117 P HA -0.157 nan 4.420 nan 0.000 0.216 117 P C 1.371 178.750 177.300 0.133 0.000 1.153 117 P CA 2.429 65.541 63.100 0.021 0.000 0.858 117 P CB 0.016 31.691 31.700 -0.043 0.000 0.789 118 T N -3.644 111.130 114.554 0.367 0.000 3.007 118 T HA -0.064 4.285 4.350 -0.002 0.000 0.270 118 T C 1.672 176.400 174.700 0.046 0.000 1.107 118 T CA 0.724 62.911 62.100 0.145 0.000 1.118 118 T CB -0.745 68.150 68.868 0.045 0.000 0.889 118 T HN -0.084 nan 8.240 nan 0.000 0.506 119 I N 1.026 121.631 120.570 0.058 0.000 2.400 119 I HA 0.025 4.194 4.170 -0.002 0.000 0.248 119 I C 2.641 178.745 176.117 -0.022 0.000 1.109 119 I CA 0.288 61.594 61.300 0.009 0.000 1.425 119 I CB -1.089 36.923 38.000 0.021 0.000 1.094 119 I HN 0.161 nan 8.210 nan 0.000 0.425 120 V N 0.642 120.520 119.914 -0.060 0.000 2.255 120 V HA -0.237 3.882 4.120 -0.002 0.000 0.247 120 V C 2.617 178.570 176.094 -0.234 0.000 1.051 120 V CA 1.832 64.008 62.300 -0.206 0.000 1.018 120 V CB -0.743 30.912 31.823 -0.281 0.000 0.641 120 V HN 0.319 nan 8.190 nan 0.000 0.445 121 V N -0.114 119.730 119.914 -0.118 0.000 2.759 121 V HA -0.218 3.901 4.120 -0.002 0.000 0.256 121 V C 2.396 178.519 176.094 0.048 0.000 1.080 121 V CA 2.402 64.691 62.300 -0.018 0.000 1.101 121 V CB -0.463 31.375 31.823 0.026 0.000 0.698 121 V HN 0.618 nan 8.190 nan 0.000 0.477 122 K N 0.012 120.426 120.400 0.023 0.000 2.001 122 K HA -0.061 4.258 4.320 -0.002 0.000 0.208 122 K C 2.057 178.694 176.600 0.061 0.000 1.048 122 K CA 1.662 57.970 56.287 0.035 0.000 0.932 122 K CB -0.713 31.796 32.500 0.015 0.000 0.715 122 K HN 0.533 nan 8.250 nan 0.000 0.437 123 G N -0.530 108.309 108.800 0.064 0.000 2.448 123 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.218 123 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.218 123 G C 1.316 176.348 174.900 0.220 0.000 1.135 123 G CA 0.347 45.514 45.100 0.112 0.000 0.784 123 G HN 0.364 nan 8.290 nan 0.000 0.543 124 Y N -0.007 120.340 120.300 0.077 0.000 2.200 124 Y HA -0.142 4.407 4.550 -0.002 0.000 0.290 124 Y C 3.150 179.032 175.900 -0.030 0.000 1.137 124 Y CA 1.110 59.293 58.100 0.138 0.000 1.163 124 Y CB 0.087 38.690 38.460 0.237 0.000 0.988 124 Y HN 0.238 nan 8.280 nan 0.000 0.518 125 Q N 0.461 120.363 119.800 0.170 0.000 2.050 125 Q HA -0.232 4.107 4.340 -0.002 0.000 0.202 125 Q C 2.424 178.391 176.000 -0.054 0.000 0.980 125 Q CA 1.456 57.287 55.803 0.047 0.000 0.840 125 Q CB -0.227 28.544 28.738 0.056 0.000 0.898 125 Q HN 0.475 nan 8.270 nan 0.000 0.424 126 A N 0.639 123.448 122.820 -0.019 0.000 1.917 126 A HA -0.205 4.114 4.320 -0.002 0.000 0.219 126 A C 2.187 179.667 177.584 -0.174 0.000 1.182 126 A CA 2.031 54.053 52.037 -0.025 0.000 0.633 126 A CB -0.857 18.192 19.000 0.082 0.000 0.819 126 A HN 0.564 nan 8.150 nan 0.000 0.448 127 A N -0.806 121.821 122.820 -0.322 0.000 1.975 127 A HA 0.390 4.709 4.320 -0.002 0.000 0.215 127 A C 2.433 179.484 177.584 -0.888 0.000 1.170 127 A CA 1.447 53.100 52.037 -0.641 0.000 0.656 127 A CB -0.812 17.726 19.000 -0.770 0.000 0.821 127 A HN 1.007 nan 8.150 nan 0.000 0.449 128 A N -0.536 121.765 122.820 -0.866 0.000 1.933 128 A HA -0.185 4.134 4.320 -0.002 0.000 0.218 128 A C 2.133 179.556 177.584 -0.268 0.000 1.175 128 A CA 2.109 53.862 52.037 -0.473 0.000 0.628 128 A CB -0.458 18.450 19.000 -0.153 0.000 0.814 128 A HN 0.515 nan 8.150 nan 0.000 0.444 129 Q N 0.207 119.860 119.800 -0.244 0.000 2.020 129 Q HA -0.198 4.141 4.340 -0.002 0.000 0.202 129 Q C 2.047 177.913 176.000 -0.223 0.000 0.982 129 Q CA 2.460 58.157 55.803 -0.175 0.000 0.838 129 Q CB -0.327 28.332 28.738 -0.132 0.000 0.899 129 Q HN 0.463 nan 8.270 nan 0.000 0.423 130 K N 0.051 120.236 120.400 -0.358 0.000 2.009 130 K HA -0.031 4.288 4.320 -0.002 0.000 0.210 130 K C 1.826 178.248 176.600 -0.298 0.000 1.049 130 K CA 1.787 57.809 56.287 -0.442 0.000 0.929 130 K CB -0.952 31.018 32.500 -0.883 0.000 0.714 130 K HN 0.271 nan 8.250 nan 0.000 0.440 131 A N 0.433 123.084 122.820 -0.280 0.000 2.125 131 A HA -0.158 4.161 4.320 -0.002 0.000 0.219 131 A C 1.930 179.456 177.584 -0.097 0.000 1.156 131 A CA 1.341 53.287 52.037 -0.152 0.000 0.671 131 A CB -0.427 18.522 19.000 -0.086 0.000 0.794 131 A HN 0.370 nan 8.150 nan 0.000 0.459 132 Q N -0.011 119.725 119.800 -0.108 0.000 2.137 132 Q HA -0.140 4.199 4.340 -0.002 0.000 0.198 132 Q C 1.942 177.906 176.000 -0.060 0.000 0.960 132 Q CA 1.675 57.438 55.803 -0.067 0.000 0.847 132 Q CB -0.280 28.421 28.738 -0.061 0.000 0.915 132 Q HN 1.002 nan 8.270 nan 0.000 0.448 133 E N -0.293 119.860 120.200 -0.077 0.000 2.385 133 E HA -0.013 4.336 4.350 -0.002 0.000 0.194 133 E C 1.949 178.517 176.600 -0.053 0.000 1.013 133 E CA 0.043 56.408 56.400 -0.058 0.000 0.866 133 E CB -0.223 29.442 29.700 -0.060 0.000 0.832 133 E HN 0.206 nan 8.360 nan 0.000 0.500 134 L N 0.678 121.858 121.223 -0.072 0.000 2.201 134 L HA -0.056 4.283 4.340 -0.002 0.000 0.212 134 L C 2.328 179.179 176.870 -0.031 0.000 1.105 134 L CA 0.641 55.449 54.840 -0.054 0.000 0.775 134 L CB -0.029 41.985 42.059 -0.075 0.000 0.913 134 L HN 0.185 nan 8.230 nan 0.000 0.440 135 L N -1.096 120.109 121.223 -0.031 0.000 2.102 135 L HA -0.146 4.193 4.340 -0.002 0.000 0.202 135 L C 2.470 179.332 176.870 -0.013 0.000 1.076 135 L CA 0.846 55.676 54.840 -0.018 0.000 0.761 135 L CB -0.298 41.751 42.059 -0.016 0.000 0.921 135 L HN 0.083 nan 8.230 nan 0.000 0.444 136 K N -0.244 120.145 120.400 -0.018 0.000 2.077 136 K HA -0.274 4.045 4.320 -0.002 0.000 0.213 136 K C 2.027 178.622 176.600 -0.008 0.000 1.051 136 K CA 2.341 58.620 56.287 -0.013 0.000 0.929 136 K CB -0.378 32.112 32.500 -0.016 0.000 0.715 136 K HN 0.482 nan 8.250 nan 0.000 0.451 137 T N -0.865 113.684 114.554 -0.008 0.000 3.043 137 T HA -0.011 4.338 4.350 -0.002 0.000 0.263 137 T C 1.556 176.258 174.700 0.003 0.000 1.094 137 T CA 0.655 62.753 62.100 -0.003 0.000 1.127 137 T CB -0.289 68.578 68.868 -0.003 0.000 0.905 137 T HN 0.403 nan 8.240 nan 0.000 0.490 138 I N -0.712 119.860 120.570 0.004 0.000 3.884 138 I HA 0.675 4.844 4.170 -0.002 0.000 0.330 138 I C 0.342 176.465 176.117 0.011 0.000 1.451 138 I CA -1.068 60.238 61.300 0.011 0.000 1.165 138 I CB -0.283 37.728 38.000 0.018 0.000 1.097 138 I HN 0.154 nan 8.210 nan 0.000 0.404 139 A N 1.481 124.305 122.820 0.006 0.000 2.258 139 A HA 0.551 4.870 4.320 -0.002 0.000 0.316 139 A C 0.287 177.874 177.584 0.005 0.000 1.279 139 A CA -0.455 51.585 52.037 0.005 0.000 0.876 139 A CB 0.105 19.106 19.000 0.002 0.000 1.170 139 A HN 0.549 nan 8.150 nan 0.000 0.520 140 C N 2.169 121.473 119.300 0.007 0.000 2.679 140 C HA 0.256 4.715 4.460 -0.002 0.000 0.417 140 C C 0.853 175.846 174.990 0.004 0.000 1.302 140 C CA -0.661 58.360 59.018 0.006 0.000 1.973 140 C CB -0.541 27.204 27.740 0.007 0.000 2.715 140 C HN 0.769 nan 8.230 nan 0.000 0.628 141 E N 0.525 120.727 120.200 0.004 0.000 2.318 141 E HA 0.650 4.999 4.350 -0.002 0.000 0.265 141 E C -0.568 176.034 176.600 0.003 0.000 1.069 141 E CA -0.073 56.328 56.400 0.003 0.000 0.893 141 E CB 1.532 31.233 29.700 0.003 0.000 1.076 141 E HN 0.504 nan 8.360 nan 0.000 0.414 142 V N 0.013 119.929 119.914 0.003 0.000 3.087 142 V HA 0.410 4.529 4.120 -0.002 0.000 0.306 142 V C 0.085 176.181 176.094 0.003 0.000 1.187 142 V CA -1.112 61.190 62.300 0.003 0.000 0.999 142 V CB 2.305 34.130 31.823 0.003 0.000 1.049 142 V HN 0.760 nan 8.190 nan 0.000 0.431 143 G N 1.151 109.953 108.800 0.003 0.000 2.380 143 G HA2 0.475 4.434 3.960 -0.002 0.000 0.262 143 G HA3 0.475 4.434 3.960 -0.002 0.000 0.262 143 G C 1.003 175.905 174.900 0.003 0.000 1.243 143 G CA 0.288 45.390 45.100 0.003 0.000 0.865 143 G HN 1.284 nan 8.290 nan 0.000 0.513 144 A N 1.812 124.633 122.820 0.002 0.000 2.139 144 A HA -0.110 4.209 4.320 -0.002 0.000 0.221 144 A C 1.838 179.422 177.584 0.002 0.000 1.159 144 A CA 1.807 53.846 52.037 0.002 0.000 0.662 144 A CB -0.038 18.964 19.000 0.002 0.000 0.796 144 A HN 0.649 nan 8.150 nan 0.000 0.463 145 Q N -1.060 118.741 119.800 0.002 0.000 2.127 145 Q HA 0.050 4.389 4.340 -0.002 0.000 0.222 145 Q C -0.490 175.512 176.000 0.002 0.000 0.794 145 Q CA -0.258 55.546 55.803 0.002 0.000 1.010 145 Q CB 0.515 29.255 28.738 0.003 0.000 1.170 145 Q HN 0.426 nan 8.270 nan 0.000 0.479 146 D N 1.618 122.020 120.400 0.003 0.000 2.619 146 D HA -0.089 4.550 4.640 -0.002 0.000 0.238 146 D C 0.605 176.906 176.300 0.003 0.000 1.158 146 D CA 0.533 54.535 54.000 0.003 0.000 1.251 146 D CB 0.206 41.008 40.800 0.003 0.000 1.134 146 D HN 0.162 nan 8.370 nan 0.000 0.487 147 K N 1.157 121.559 120.400 0.002 0.000 2.585 147 K HA -0.133 4.186 4.320 -0.002 0.000 0.194 147 K C 1.583 178.184 176.600 0.003 0.000 1.037 147 K CA 0.581 56.869 56.287 0.002 0.000 0.964 147 K CB 0.294 32.795 32.500 0.001 0.000 0.787 147 K HN 0.392 nan 8.250 nan 0.000 0.488 148 E N 0.370 120.572 120.200 0.004 0.000 2.075 148 E HA -0.087 4.262 4.350 -0.002 0.000 0.190 148 E C 1.824 178.427 176.600 0.005 0.000 0.969 148 E CA 0.465 56.868 56.400 0.004 0.000 0.815 148 E CB 0.064 29.767 29.700 0.005 0.000 0.776 148 E HN 0.268 nan 8.360 nan 0.000 0.457 149 I N 1.474 122.048 120.570 0.005 0.000 2.252 149 I HA -0.254 3.915 4.170 -0.002 0.000 0.245 149 I C 2.500 178.621 176.117 0.006 0.000 1.102 149 I CA 0.671 61.975 61.300 0.006 0.000 1.385 149 I CB -0.115 37.889 38.000 0.006 0.000 1.064 149 I HN 0.190 nan 8.210 nan 0.000 0.414 150 L N 0.050 121.276 121.223 0.004 0.000 2.137 150 L HA -0.276 4.063 4.340 -0.002 0.000 0.213 150 L C 2.282 179.154 176.870 0.004 0.000 1.085 150 L CA 1.600 56.442 54.840 0.003 0.000 0.760 150 L CB -0.940 41.120 42.059 0.002 0.000 0.893 150 L HN 0.320 nan 8.230 nan 0.000 0.434 151 T N -1.464 113.093 114.554 0.005 0.000 3.054 151 T HA -0.039 4.310 4.350 -0.002 0.000 0.259 151 T C 1.837 176.542 174.700 0.009 0.000 1.092 151 T CA 0.469 62.572 62.100 0.006 0.000 1.121 151 T CB 0.199 69.070 68.868 0.005 0.000 0.912 151 T HN 0.275 nan 8.240 nan 0.000 0.489 152 K N 0.805 121.211 120.400 0.010 0.000 2.155 152 K HA 0.175 4.494 4.320 -0.002 0.000 0.203 152 K C 1.945 178.554 176.600 0.015 0.000 1.052 152 K CA 0.788 57.084 56.287 0.014 0.000 0.948 152 K CB -0.067 32.442 32.500 0.014 0.000 0.728 152 K HN 0.290 nan 8.250 nan 0.000 0.448 153 I N 0.764 121.341 120.570 0.011 0.000 2.286 153 I HA -0.216 3.953 4.170 -0.002 0.000 0.245 153 I C 2.229 178.352 176.117 0.010 0.000 1.104 153 I CA 0.893 62.199 61.300 0.010 0.000 1.397 153 I CB -0.114 37.890 38.000 0.007 0.000 1.072 153 I HN 0.118 nan 8.210 nan 0.000 0.417 154 A N -0.384 122.442 122.820 0.009 0.000 2.119 154 A HA -0.153 4.166 4.320 -0.002 0.000 0.217 154 A C 2.116 179.708 177.584 0.013 0.000 1.153 154 A CA 1.107 53.149 52.037 0.009 0.000 0.692 154 A CB -0.367 18.637 19.000 0.006 0.000 0.799 154 A HN 0.402 nan 8.150 nan 0.000 0.458 155 M N -1.405 118.205 119.600 0.016 0.000 2.394 155 M HA 0.031 4.510 4.480 -0.002 0.000 0.266 155 M C 1.844 178.162 176.300 0.031 0.000 1.098 155 M CA 1.646 56.959 55.300 0.022 0.000 1.149 155 M CB -0.067 32.547 32.600 0.022 0.000 1.369 155 M HN 0.230 nan 8.290 nan 0.000 0.450 156 T N -0.804 113.767 114.554 0.028 0.000 2.915 156 T HA -0.073 4.276 4.350 -0.002 0.000 0.269 156 T C 1.898 176.613 174.700 0.026 0.000 1.071 156 T CA 1.522 63.641 62.100 0.031 0.000 1.132 156 T CB -0.216 68.666 68.868 0.023 0.000 0.878 156 T HN 0.463 nan 8.240 nan 0.000 0.479 157 S N 0.633 116.345 115.700 0.020 0.000 2.357 157 S HA 0.038 4.507 4.470 -0.002 0.000 0.221 157 S C 2.026 176.637 174.600 0.019 0.000 1.031 157 S CA 0.574 58.783 58.200 0.015 0.000 0.982 157 S CB -0.346 62.860 63.200 0.010 0.000 0.853 157 S HN 0.452 nan 8.310 nan 0.000 0.458 158 I N 1.386 121.969 120.570 0.021 0.000 2.179 158 I HA -0.111 4.058 4.170 -0.002 0.000 0.242 158 I C 1.129 177.267 176.117 0.034 0.000 1.088 158 I CA 0.681 61.995 61.300 0.023 0.000 1.357 158 I CB -0.995 37.017 38.000 0.020 0.000 1.051 158 I HN 0.268 nan 8.210 nan 0.000 0.409 159 T N 0.505 115.088 114.554 0.048 0.000 2.855 159 T HA 0.209 4.558 4.350 -0.002 0.000 0.322 159 T C 1.167 175.902 174.700 0.058 0.000 1.088 159 T CA 0.838 62.984 62.100 0.076 0.000 1.104 159 T CB 0.846 69.783 68.868 0.115 0.000 0.996 159 T HN 0.672 nan 8.240 nan 0.000 0.549 160 G N 1.150 109.988 108.800 0.064 0.000 2.320 160 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.242 160 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.242 160 G C 0.679 175.595 174.900 0.027 0.000 1.033 160 G CA 0.255 45.374 45.100 0.032 0.000 0.620 160 G HN 0.630 nan 8.290 nan 0.000 0.517 161 K N 1.473 121.891 120.400 0.031 0.000 2.577 161 K HA 0.457 4.776 4.320 -0.002 0.000 0.210 161 K C 0.877 177.498 176.600 0.035 0.000 1.048 161 K CA 0.541 56.843 56.287 0.026 0.000 1.188 161 K CB 0.000 32.513 32.500 0.022 0.000 0.910 161 K HN 1.564 nan 8.250 nan 0.000 0.483 162 G N 0.311 109.141 108.800 0.051 0.000 3.209 162 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.686 162 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.686 162 G C 0.473 175.418 174.900 0.075 0.000 1.065 162 G CA -0.464 44.674 45.100 0.064 0.000 0.812 162 G HN 0.162 nan 8.290 nan 0.000 0.573 163 A N 1.284 124.169 122.820 0.108 0.000 2.125 163 A HA 0.071 4.390 4.320 -0.002 0.000 0.219 163 A C 2.114 179.700 177.584 0.004 0.000 1.156 163 A CA 2.129 54.212 52.037 0.075 0.000 0.671 163 A CB -0.132 18.880 19.000 0.019 0.000 0.794 163 A HN 1.350 nan 8.150 nan 0.000 0.459 164 E N 0.387 120.591 120.200 0.006 0.000 2.478 164 E HA -0.053 4.296 4.350 -0.002 0.000 0.194 164 E C 1.160 177.760 176.600 0.001 0.000 1.045 164 E CA 0.788 57.183 56.400 -0.009 0.000 0.868 164 E CB -0.214 29.482 29.700 -0.006 0.000 0.885 164 E HN 0.583 nan 8.360 nan 0.000 0.505 165 K N 0.519 120.926 120.400 0.012 0.000 2.400 165 K HA 0.230 4.549 4.320 -0.002 0.000 0.194 165 K C 1.294 177.901 176.600 0.010 0.000 1.033 165 K CA 0.526 56.820 56.287 0.012 0.000 1.021 165 K CB 0.344 32.854 32.500 0.017 0.000 0.808 165 K HN 0.105 nan 8.250 nan 0.000 0.505 166 A N 2.010 124.836 122.820 0.011 0.000 2.190 166 A HA -0.025 4.294 4.320 -0.002 0.000 0.226 166 A C 0.124 177.709 177.584 0.002 0.000 1.402 166 A CA 0.105 52.148 52.037 0.011 0.000 1.288 166 A CB -0.592 18.419 19.000 0.019 0.000 0.833 166 A HN -0.026 nan 8.150 nan 0.000 0.564 167 K N 0.991 121.391 120.400 0.000 0.000 2.466 167 K HA -0.007 4.312 4.320 -0.002 0.000 0.278 167 K C 1.081 177.681 176.600 -0.001 0.000 1.048 167 K CA 0.252 56.537 56.287 -0.003 0.000 1.088 167 K CB 0.257 32.757 32.500 -0.001 0.000 0.884 167 K HN 0.415 nan 8.250 nan 0.000 0.478 168 E N 3.583 123.781 120.200 -0.003 0.000 2.058 168 E HA -0.199 4.150 4.350 -0.002 0.000 0.194 168 E C 0.506 177.106 176.600 0.001 0.000 0.997 168 E CA 1.476 57.876 56.400 -0.001 0.000 0.801 168 E CB 0.154 29.852 29.700 -0.003 0.000 0.746 168 E HN 0.520 nan 8.360 nan 0.000 0.450 169 K N 0.432 120.832 120.400 0.000 0.000 2.551 169 K HA -0.054 4.265 4.320 -0.002 0.000 0.192 169 K C 1.681 178.282 176.600 0.003 0.000 1.027 169 K CA -0.091 56.196 56.287 0.001 0.000 1.059 169 K CB 0.151 32.652 32.500 0.001 0.000 0.831 169 K HN -0.006 nan 8.250 nan 0.000 0.508 170 L N -0.357 120.868 121.223 0.003 0.000 2.286 170 L HA 0.190 4.529 4.340 -0.002 0.000 0.203 170 L C 2.014 178.886 176.870 0.004 0.000 1.068 170 L CA 1.098 55.940 54.840 0.004 0.000 0.811 170 L CB -0.380 41.682 42.059 0.005 0.000 0.989 170 L HN -0.002 nan 8.230 nan 0.000 0.467 171 A N -0.024 122.798 122.820 0.005 0.000 1.865 171 A HA -0.242 4.077 4.320 -0.002 0.000 0.217 171 A C 2.079 179.665 177.584 0.003 0.000 1.191 171 A CA 2.026 54.066 52.037 0.005 0.000 0.623 171 A CB -0.752 18.252 19.000 0.007 0.000 0.826 171 A HN 0.604 nan 8.150 nan 0.000 0.444 172 E N -0.247 119.955 120.200 0.003 0.000 2.070 172 E HA -0.213 4.136 4.350 -0.002 0.000 0.197 172 E C 1.943 178.543 176.600 0.000 0.000 1.004 172 E CA 1.411 57.812 56.400 0.002 0.000 0.805 172 E CB -0.411 29.290 29.700 0.002 0.000 0.744 172 E HN 0.700 nan 8.360 nan 0.000 0.451 173 I N 0.960 121.530 120.570 0.001 0.000 2.163 173 I HA -0.298 3.871 4.170 -0.002 0.000 0.243 173 I C 2.471 178.586 176.117 -0.003 0.000 1.085 173 I CA 1.211 62.511 61.300 -0.000 0.000 1.347 173 I CB -0.343 37.658 38.000 0.002 0.000 1.044 173 I HN 0.128 nan 8.210 nan 0.000 0.408 174 I N 0.029 120.598 120.570 -0.002 0.000 2.142 174 I HA -0.267 3.902 4.170 -0.002 0.000 0.240 174 I C 2.581 178.695 176.117 -0.005 0.000 1.078 174 I CA 1.232 62.530 61.300 -0.004 0.000 1.343 174 I CB -0.444 37.555 38.000 -0.001 0.000 1.046 174 I HN 0.004 nan 8.210 nan 0.000 0.405 175 V N 1.087 120.999 119.914 -0.004 0.000 2.231 175 V HA -0.376 3.743 4.120 -0.002 0.000 0.248 175 V C 2.559 178.648 176.094 -0.008 0.000 1.054 175 V CA 2.529 64.826 62.300 -0.004 0.000 1.015 175 V CB -0.798 31.023 31.823 -0.002 0.000 0.638 175 V HN 0.546 nan 8.190 nan 0.000 0.444 176 E N 0.505 120.700 120.200 -0.008 0.000 2.070 176 E HA -0.268 4.081 4.350 -0.002 0.000 0.197 176 E C 2.017 178.606 176.600 -0.018 0.000 1.004 176 E CA 1.955 58.347 56.400 -0.012 0.000 0.805 176 E CB -0.389 29.306 29.700 -0.009 0.000 0.744 176 E HN 0.571 nan 8.360 nan 0.000 0.451 177 A N 0.008 122.818 122.820 -0.016 0.000 2.067 177 A HA 0.004 4.323 4.320 -0.002 0.000 0.217 177 A C 2.280 179.850 177.584 -0.023 0.000 1.156 177 A CA 0.999 53.024 52.037 -0.021 0.000 0.683 177 A CB -0.048 18.942 19.000 -0.017 0.000 0.808 177 A HN 0.238 nan 8.150 nan 0.000 0.455 178 V N -0.604 119.299 119.914 -0.019 0.000 2.649 178 V HA -0.107 4.012 4.120 -0.002 0.000 0.248 178 V C 2.598 178.680 176.094 -0.021 0.000 1.054 178 V CA 1.935 64.224 62.300 -0.018 0.000 1.073 178 V CB -0.246 31.569 31.823 -0.012 0.000 0.699 178 V HN 0.520 nan 8.190 nan 0.000 0.463 179 S N 0.567 116.254 115.700 -0.021 0.000 2.402 179 S HA -0.113 4.356 4.470 -0.002 0.000 0.229 179 S C 2.236 176.814 174.600 -0.036 0.000 1.021 179 S CA 1.287 59.474 58.200 -0.022 0.000 0.974 179 S CB -0.335 62.854 63.200 -0.018 0.000 0.800 179 S HN 0.631 nan 8.310 nan 0.000 0.484 180 A N 1.421 124.213 122.820 -0.047 0.000 1.877 180 A HA -0.070 4.249 4.320 -0.002 0.000 0.216 180 A C 2.164 179.702 177.584 -0.076 0.000 1.186 180 A CA 1.750 53.741 52.037 -0.077 0.000 0.620 180 A CB -0.884 18.069 19.000 -0.079 0.000 0.822 180 A HN 0.624 nan 8.150 nan 0.000 0.443 181 V N -1.784 118.099 119.914 -0.051 0.000 3.602 181 V HA 0.236 4.355 4.120 -0.002 0.000 0.289 181 V C 0.474 176.551 176.094 -0.028 0.000 1.265 181 V CA -0.286 61.989 62.300 -0.042 0.000 1.202 181 V CB -1.147 30.656 31.823 -0.033 0.000 1.012 181 V HN 0.102 nan 8.190 nan 0.000 0.431 182 V N 4.047 123.945 119.914 -0.027 0.000 2.450 182 V HA 0.118 4.237 4.120 -0.002 0.000 0.281 182 V C 0.537 176.628 176.094 -0.005 0.000 1.019 182 V CA 0.227 62.519 62.300 -0.013 0.000 1.062 182 V CB 0.522 32.339 31.823 -0.010 0.000 0.979 182 V HN 0.812 nan 8.190 nan 0.000 0.477 183 D N 4.699 125.098 120.400 -0.001 0.000 2.483 183 D HA 0.039 4.678 4.640 -0.002 0.000 0.220 183 D C -0.276 176.029 176.300 0.010 0.000 1.173 183 D CA -0.621 53.382 54.000 0.006 0.000 0.964 183 D CB 0.439 41.241 40.800 0.004 0.000 1.046 183 D HN 0.424 nan 8.370 nan 0.000 0.517 184 D N 2.867 123.277 120.400 0.016 0.000 2.451 184 D HA 0.029 4.668 4.640 -0.002 0.000 0.254 184 D C 0.417 176.725 176.300 0.014 0.000 1.204 184 D CA 0.577 54.587 54.000 0.016 0.000 0.896 184 D CB 0.663 41.478 40.800 0.024 0.000 1.136 184 D HN 0.543 nan 8.370 nan 0.000 0.499 185 E N 0.462 120.668 120.200 0.010 0.000 2.244 185 E HA 0.675 5.024 4.350 -0.002 0.000 0.266 185 E C 0.351 176.954 176.600 0.005 0.000 0.914 185 E CA -1.338 55.067 56.400 0.008 0.000 0.794 185 E CB 2.058 31.762 29.700 0.007 0.000 1.210 185 E HN 0.411 nan 8.360 nan 0.000 0.414 186 G N 1.778 110.580 108.800 0.004 0.000 5.253 186 G HA2 0.076 4.035 3.960 -0.002 0.000 0.238 186 G HA3 0.076 4.035 3.960 -0.002 0.000 0.238 186 G C -0.297 174.603 174.900 0.001 0.000 0.867 186 G CA -0.420 44.682 45.100 0.003 0.000 0.717 186 G HN 0.061 nan 8.290 nan 0.000 0.405 187 K N 0.273 120.674 120.400 0.000 0.000 2.139 187 K HA 0.699 5.018 4.320 -0.002 0.000 0.243 187 K C -0.484 176.114 176.600 -0.004 0.000 0.983 187 K CA -0.903 55.383 56.287 -0.002 0.000 0.890 187 K CB 2.423 34.922 32.500 -0.001 0.000 1.090 187 K HN -0.067 nan 8.250 nan 0.000 0.445 188 V N 1.387 121.298 119.914 -0.005 0.000 2.370 188 V HA 0.072 4.191 4.120 -0.002 0.000 0.283 188 V C -0.312 175.778 176.094 -0.008 0.000 1.023 188 V CA -0.824 61.472 62.300 -0.008 0.000 0.857 188 V CB 1.261 33.080 31.823 -0.008 0.000 0.985 188 V HN 0.596 nan 8.190 nan 0.000 0.443 189 D N 3.822 124.217 120.400 -0.010 0.000 2.402 189 D HA 0.201 4.840 4.640 -0.002 0.000 0.235 189 D C 1.044 177.336 176.300 -0.013 0.000 1.226 189 D CA -0.248 53.745 54.000 -0.010 0.000 0.918 189 D CB 1.174 41.967 40.800 -0.011 0.000 1.043 189 D HN 0.372 nan 8.370 nan 0.000 0.506 190 K N 1.416 121.809 120.400 -0.011 0.000 2.442 190 K HA -0.096 4.223 4.320 -0.002 0.000 0.200 190 K C 0.587 177.179 176.600 -0.015 0.000 1.045 190 K CA 0.916 57.196 56.287 -0.012 0.000 0.937 190 K CB 0.242 32.737 32.500 -0.009 0.000 0.757 190 K HN 0.382 nan 8.250 nan 0.000 0.474 191 D N -0.598 119.793 120.400 -0.015 0.000 2.349 191 D HA 0.062 4.701 4.640 -0.002 0.000 0.214 191 D C 1.088 177.374 176.300 -0.023 0.000 1.063 191 D CA 0.298 54.287 54.000 -0.018 0.000 0.847 191 D CB 0.332 41.122 40.800 -0.016 0.000 0.933 191 D HN 0.161 nan 8.370 nan 0.000 0.513 192 L N 0.199 121.409 121.223 -0.023 0.000 2.509 192 L HA 0.193 4.532 4.340 -0.002 0.000 0.222 192 L C 0.746 177.597 176.870 -0.031 0.000 1.123 192 L CA 0.349 55.173 54.840 -0.027 0.000 0.856 192 L CB 0.308 42.353 42.059 -0.024 0.000 0.985 192 L HN -0.147 nan 8.230 nan 0.000 0.456 193 I N 1.113 121.666 120.570 -0.028 0.000 2.282 193 I HA 0.088 4.257 4.170 -0.002 0.000 0.290 193 I C 0.407 176.505 176.117 -0.032 0.000 1.090 193 I CA -0.170 61.112 61.300 -0.030 0.000 1.231 193 I CB 0.621 38.607 38.000 -0.024 0.000 1.434 193 I HN 0.015 nan 8.210 nan 0.000 0.487 194 K N 7.214 127.590 120.400 -0.040 0.000 2.368 194 K HA 0.401 4.720 4.320 -0.002 0.000 0.282 194 K C -0.677 175.898 176.600 -0.042 0.000 1.035 194 K CA -0.200 56.060 56.287 -0.045 0.000 0.973 194 K CB 0.795 33.259 32.500 -0.061 0.000 0.957 194 K HN 0.570 nan 8.250 nan 0.000 0.474 195 I N 3.891 124.439 120.570 -0.038 0.000 2.355 195 I HA 0.168 4.337 4.170 -0.002 0.000 0.288 195 I C -0.521 175.573 176.117 -0.038 0.000 0.999 195 I CA -0.735 60.546 61.300 -0.032 0.000 1.163 195 I CB 1.719 39.706 38.000 -0.022 0.000 1.316 195 I HN 0.657 nan 8.210 nan 0.000 0.454 196 E N 6.697 126.871 120.200 -0.042 0.000 2.212 196 E HA 0.453 4.802 4.350 -0.002 0.000 0.268 196 E C -1.306 175.275 176.600 -0.032 0.000 0.902 196 E CA -0.694 55.677 56.400 -0.049 0.000 0.779 196 E CB 1.515 31.168 29.700 -0.078 0.000 1.172 196 E HN 0.316 nan 8.360 nan 0.000 0.409 197 K N 3.885 124.267 120.400 -0.029 0.000 2.413 197 K HA 0.536 4.855 4.320 -0.002 0.000 0.257 197 K C -0.800 175.791 176.600 -0.015 0.000 0.946 197 K CA -1.066 55.210 56.287 -0.019 0.000 0.823 197 K CB 1.629 34.117 32.500 -0.020 0.000 1.109 197 K HN 0.184 nan 8.250 nan 0.000 0.427 198 K N 1.523 121.922 120.400 -0.002 0.000 2.513 198 K HA 0.154 4.473 4.320 -0.002 0.000 0.251 198 K C 0.778 177.385 176.600 0.012 0.000 0.939 198 K CA -0.407 55.885 56.287 0.008 0.000 0.793 198 K CB 2.075 34.592 32.500 0.029 0.000 1.241 198 K HN 0.733 nan 8.250 nan 0.000 0.431 199 S N 1.871 117.575 115.700 0.006 0.000 2.523 199 S HA -0.129 4.340 4.470 -0.002 0.000 0.226 199 S C 1.043 175.649 174.600 0.010 0.000 1.062 199 S CA 1.168 59.370 58.200 0.003 0.000 1.207 199 S CB -1.004 62.194 63.200 -0.003 0.000 1.151 199 S HN 1.136 nan 8.310 nan 0.000 0.408 200 G N 0.811 109.620 108.800 0.014 0.000 2.915 200 G HA2 0.212 4.171 3.960 -0.002 0.000 0.337 200 G HA3 0.212 4.171 3.960 -0.002 0.000 0.337 200 G C 0.069 174.974 174.900 0.010 0.000 1.477 200 G CA -0.035 45.074 45.100 0.014 0.000 0.916 200 G HN 1.786 nan 8.290 nan 0.000 0.550 201 A N 0.219 123.044 122.820 0.008 0.000 3.215 201 A HA 0.747 5.066 4.320 -0.002 0.000 0.269 201 A C 1.071 178.659 177.584 0.007 0.000 1.517 201 A CA 1.278 53.318 52.037 0.006 0.000 1.221 201 A CB -0.043 18.960 19.000 0.005 0.000 1.160 201 A HN 1.972 nan 8.150 nan 0.000 0.620 202 S N 0.283 115.988 115.700 0.008 0.000 3.152 202 S HA 0.316 4.785 4.470 -0.002 0.000 0.173 202 S C 1.429 176.034 174.600 0.008 0.000 0.751 202 S CA 0.801 59.006 58.200 0.009 0.000 0.933 202 S CB -0.402 62.805 63.200 0.012 0.000 0.877 202 S HN 0.787 nan 8.310 nan 0.000 0.766 203 I N 1.229 121.804 120.570 0.009 0.000 3.986 203 I HA -0.412 3.757 4.170 -0.002 0.000 0.129 203 I C 0.942 177.064 176.117 0.008 0.000 0.493 203 I CA 2.150 63.455 61.300 0.009 0.000 1.177 203 I CB -1.187 36.818 38.000 0.008 0.000 1.035 203 I HN 0.441 nan 8.210 nan 0.000 0.211 204 D N 0.652 121.056 120.400 0.006 0.000 2.277 204 D HA -0.066 4.573 4.640 -0.002 0.000 0.208 204 D C 1.389 177.694 176.300 0.008 0.000 0.962 204 D CA 0.995 54.998 54.000 0.005 0.000 0.865 204 D CB -0.179 40.623 40.800 0.003 0.000 0.939 204 D HN 0.444 nan 8.370 nan 0.000 0.510 205 D N 0.029 120.435 120.400 0.010 0.000 2.363 205 D HA -0.045 4.594 4.640 -0.002 0.000 0.226 205 D C 0.501 176.812 176.300 0.019 0.000 1.020 205 D CA 0.333 54.341 54.000 0.014 0.000 0.892 205 D CB -0.359 40.450 40.800 0.015 0.000 0.900 205 D HN 0.218 nan 8.370 nan 0.000 0.531 206 T N -0.081 114.483 114.554 0.016 0.000 2.928 206 T HA 0.232 4.581 4.350 -0.002 0.000 0.305 206 T C 0.143 174.854 174.700 0.018 0.000 1.035 206 T CA -0.428 61.682 62.100 0.018 0.000 1.145 206 T CB 1.053 69.928 68.868 0.012 0.000 0.963 206 T HN 0.246 nan 8.240 nan 0.000 0.545 207 E N 2.063 122.277 120.200 0.023 0.000 2.429 207 E HA 0.556 4.905 4.350 -0.002 0.000 0.276 207 E C -1.552 175.061 176.600 0.022 0.000 0.953 207 E CA -1.356 55.058 56.400 0.024 0.000 0.787 207 E CB 1.280 31.000 29.700 0.034 0.000 1.307 207 E HN 0.473 nan 8.360 nan 0.000 0.458 208 L N 1.974 123.207 121.223 0.018 0.000 2.276 208 L HA 0.449 4.788 4.340 -0.002 0.000 0.286 208 L C -0.966 175.917 176.870 0.022 0.000 1.061 208 L CA -0.353 54.494 54.840 0.012 0.000 0.807 208 L CB 0.674 42.735 42.059 0.005 0.000 1.177 208 L HN 0.589 nan 8.230 nan 0.000 0.429 209 I N 5.601 126.182 120.570 0.020 0.000 2.354 209 I HA 0.240 4.409 4.170 -0.002 0.000 0.286 209 I C 0.148 176.270 176.117 0.009 0.000 1.007 209 I CA -0.593 60.725 61.300 0.031 0.000 1.167 209 I CB 0.915 38.941 38.000 0.043 0.000 1.320 209 I HN 0.529 nan 8.210 nan 0.000 0.458 210 K N 5.827 126.234 120.400 0.012 0.000 2.278 210 K HA 0.412 4.731 4.320 -0.002 0.000 0.237 210 K C 0.380 176.980 176.600 -0.000 0.000 1.229 210 K CA -0.206 56.080 56.287 -0.002 0.000 1.155 210 K CB 0.341 32.839 32.500 -0.003 0.000 1.590 210 K HN 0.901 nan 8.250 nan 0.000 0.290 211 G N -0.458 108.334 108.800 -0.013 0.000 2.498 211 G HA2 0.206 4.165 3.960 -0.002 0.000 0.181 211 G HA3 0.206 4.165 3.960 -0.002 0.000 0.181 211 G C -1.559 173.309 174.900 -0.053 0.000 1.169 211 G CA -0.634 44.453 45.100 -0.021 0.000 0.992 211 G HN 0.100 nan 8.290 nan 0.000 0.490 212 V N 0.264 120.132 119.914 -0.077 0.000 2.841 212 V HA 0.707 4.826 4.120 -0.002 0.000 0.310 212 V C -1.033 174.957 176.094 -0.174 0.000 1.090 212 V CA -0.668 61.555 62.300 -0.129 0.000 0.930 212 V CB 1.865 33.589 31.823 -0.165 0.000 1.014 212 V HN 0.700 nan 8.190 nan 0.000 0.425 213 L N 3.990 125.081 121.223 -0.220 0.000 2.272 213 L HA 0.674 5.013 4.340 -0.002 0.000 0.289 213 L C -0.452 176.270 176.870 -0.247 0.000 1.032 213 L CA 0.069 54.710 54.840 -0.332 0.000 0.810 213 L CB 1.655 43.475 42.059 -0.399 0.000 1.205 213 L HN 0.543 nan 8.230 nan 0.000 0.422 214 V N 3.007 122.792 119.914 -0.215 0.000 2.417 214 V HA 0.284 4.403 4.120 -0.002 0.000 0.291 214 V C -0.175 175.876 176.094 -0.071 0.000 1.024 214 V CA -0.723 61.500 62.300 -0.128 0.000 0.861 214 V CB 1.530 33.292 31.823 -0.102 0.000 0.985 214 V HN 0.591 nan 8.190 nan 0.000 0.436 215 D N 4.161 124.527 120.400 -0.056 0.000 3.032 215 D HA 0.210 4.849 4.640 -0.002 0.000 0.241 215 D C 0.310 176.618 176.300 0.013 0.000 1.196 215 D CA 0.278 54.263 54.000 -0.026 0.000 0.927 215 D CB 0.006 40.787 40.800 -0.032 0.000 1.129 215 D HN 0.386 nan 8.370 nan 0.000 0.458 216 K N 0.321 120.747 120.400 0.044 0.000 2.263 216 K HA 0.523 4.842 4.320 -0.002 0.000 0.249 216 K C -0.179 176.469 176.600 0.081 0.000 1.076 216 K CA -0.751 55.577 56.287 0.068 0.000 0.884 216 K CB 1.461 34.022 32.500 0.101 0.000 1.394 216 K HN 0.239 nan 8.250 nan 0.000 0.476 217 E N -0.075 120.168 120.200 0.071 0.000 2.356 217 E HA 0.414 4.763 4.350 -0.002 0.000 0.275 217 E C -1.092 175.532 176.600 0.039 0.000 0.904 217 E CA -1.225 55.212 56.400 0.062 0.000 0.757 217 E CB 1.349 31.078 29.700 0.049 0.000 1.232 217 E HN 0.383 nan 8.360 nan 0.000 0.442 218 R N 0.713 121.228 120.500 0.025 0.000 2.481 218 R HA -0.041 4.298 4.340 -0.002 0.000 0.291 218 R C 0.687 176.984 176.300 -0.004 0.000 0.934 218 R CA 0.042 56.137 56.100 -0.008 0.000 1.116 218 R CB -0.034 30.259 30.300 -0.012 0.000 0.895 218 R HN 0.480 nan 8.270 nan 0.000 0.410 219 V N 1.714 121.619 119.914 -0.015 0.000 2.626 219 V HA -0.126 3.993 4.120 -0.002 0.000 0.252 219 V C 0.480 176.571 176.094 -0.006 0.000 1.067 219 V CA 2.113 64.409 62.300 -0.006 0.000 1.081 219 V CB 0.176 31.994 31.823 -0.009 0.000 0.686 219 V HN 0.836 nan 8.190 nan 0.000 0.468 220 S N -1.399 114.295 115.700 -0.010 0.000 2.478 220 S HA 0.660 5.129 4.470 -0.002 0.000 0.312 220 S C 0.849 175.446 174.600 -0.004 0.000 1.094 220 S CA -0.156 58.041 58.200 -0.005 0.000 1.081 220 S CB 1.677 64.874 63.200 -0.005 0.000 1.007 220 S HN 0.538 nan 8.310 nan 0.000 0.475 221 A N 3.581 126.402 122.820 0.001 0.000 2.121 221 A HA -0.050 4.269 4.320 -0.002 0.000 0.218 221 A C 1.826 179.411 177.584 0.001 0.000 1.154 221 A CA 1.165 53.203 52.037 0.002 0.000 0.679 221 A CB -0.408 18.594 19.000 0.003 0.000 0.795 221 A HN 0.872 nan 8.150 nan 0.000 0.458 222 Q N -0.929 118.872 119.800 0.002 0.000 2.432 222 Q HA 0.104 4.443 4.340 -0.002 0.000 0.205 222 Q C 0.460 176.456 176.000 -0.006 0.000 0.945 222 Q CA -0.076 55.729 55.803 0.003 0.000 0.924 222 Q CB -0.097 28.650 28.738 0.014 0.000 1.016 222 Q HN 0.706 nan 8.270 nan 0.000 0.503 223 M N 1.664 121.257 119.600 -0.012 0.000 2.198 223 M HA 0.172 4.651 4.480 -0.002 0.000 0.315 223 M C -2.036 174.254 176.300 -0.016 0.000 1.134 223 M CA -1.730 53.557 55.300 -0.021 0.000 1.171 223 M CB 0.051 32.632 32.600 -0.031 0.000 1.413 223 M HN -0.101 nan 8.290 nan 0.000 0.467 224 P HA 0.007 nan 4.420 nan 0.000 0.267 224 P C -0.614 176.681 177.300 -0.009 0.000 1.200 224 P CA 0.302 63.394 63.100 -0.013 0.000 0.772 224 P CB 0.425 32.115 31.700 -0.016 0.000 0.855 225 K N 1.083 121.481 120.400 -0.003 0.000 2.438 225 K HA 0.178 4.497 4.320 -0.002 0.000 0.205 225 K C -0.033 176.571 176.600 0.006 0.000 1.033 225 K CA -0.036 56.253 56.287 0.004 0.000 1.089 225 K CB 0.243 32.746 32.500 0.004 0.000 0.857 225 K HN 0.245 nan 8.250 nan 0.000 0.522 226 K N 0.380 120.782 120.400 0.003 0.000 2.557 226 K HA 0.297 4.616 4.320 -0.002 0.000 0.257 226 K C -1.910 174.694 176.600 0.007 0.000 0.933 226 K CA -0.760 55.531 56.287 0.007 0.000 0.820 226 K CB 2.121 34.620 32.500 -0.002 0.000 1.330 226 K HN -0.142 nan 8.250 nan 0.000 0.432 227 V N 2.351 122.274 119.914 0.016 0.000 2.686 227 V HA 0.486 4.605 4.120 -0.002 0.000 0.306 227 V C -0.480 175.627 176.094 0.023 0.000 1.065 227 V CA -0.765 61.543 62.300 0.014 0.000 0.894 227 V CB 1.935 33.766 31.823 0.013 0.000 1.004 227 V HN 0.965 nan 8.190 nan 0.000 0.424 228 T N -0.585 113.980 114.554 0.018 0.000 2.925 228 T HA 0.508 4.857 4.350 -0.002 0.000 0.285 228 T C -0.115 174.598 174.700 0.022 0.000 1.021 228 T CA -0.510 61.602 62.100 0.021 0.000 1.042 228 T CB 1.406 70.283 68.868 0.014 0.000 1.037 228 T HN 0.715 nan 8.240 nan 0.000 0.481 229 D N -0.157 120.259 120.400 0.027 0.000 2.737 229 D HA -0.169 4.470 4.640 -0.002 0.000 0.233 229 D C 0.579 176.896 176.300 0.029 0.000 1.155 229 D CA 1.026 55.042 54.000 0.027 0.000 0.667 229 D CB -1.453 39.359 40.800 0.020 0.000 1.060 229 D HN 1.053 nan 8.370 nan 0.000 0.427 230 A N 0.257 123.099 122.820 0.036 0.000 2.425 230 A HA 0.262 4.581 4.320 -0.002 0.000 0.242 230 A C 0.789 178.398 177.584 0.042 0.000 1.077 230 A CA 0.293 52.352 52.037 0.037 0.000 0.781 230 A CB 0.792 19.820 19.000 0.046 0.000 1.020 230 A HN 0.086 nan 8.150 nan 0.000 0.494 231 K N 1.511 121.931 120.400 0.034 0.000 2.339 231 K HA 0.475 4.794 4.320 -0.002 0.000 0.264 231 K C -1.272 175.356 176.600 0.046 0.000 0.986 231 K CA -0.069 56.240 56.287 0.038 0.000 0.866 231 K CB 1.307 33.822 32.500 0.025 0.000 1.103 231 K HN 0.626 nan 8.250 nan 0.000 0.441 232 I N 2.409 123.022 120.570 0.070 0.000 2.321 232 I HA 0.261 4.430 4.170 -0.002 0.000 0.291 232 I C 0.061 176.235 176.117 0.096 0.000 0.998 232 I CA -0.672 60.692 61.300 0.107 0.000 1.227 232 I CB 1.713 39.824 38.000 0.186 0.000 1.368 232 I HN 0.503 nan 8.210 nan 0.000 0.466 233 A N 7.706 130.575 122.820 0.082 0.000 2.256 233 A HA 0.683 5.002 4.320 -0.002 0.000 0.317 233 A C -0.767 176.880 177.584 0.105 0.000 1.318 233 A CA -0.457 51.622 52.037 0.070 0.000 0.894 233 A CB 0.304 19.325 19.000 0.035 0.000 1.165 233 A HN 0.577 nan 8.150 nan 0.000 0.525 234 L N 3.109 124.398 121.223 0.110 0.000 2.260 234 L HA 0.355 4.694 4.340 -0.002 0.000 0.289 234 L C -0.164 176.753 176.870 0.079 0.000 1.057 234 L CA 0.409 55.323 54.840 0.124 0.000 0.811 234 L CB 1.013 43.130 42.059 0.097 0.000 1.184 234 L HN 0.622 nan 8.230 nan 0.000 0.429 235 L N 3.795 125.066 121.223 0.080 0.000 2.262 235 L HA 0.336 4.675 4.340 -0.002 0.000 0.288 235 L C 1.052 177.951 176.870 0.048 0.000 1.035 235 L CA -0.358 54.514 54.840 0.053 0.000 0.820 235 L CB 1.121 43.206 42.059 0.043 0.000 1.204 235 L HN 0.598 nan 8.230 nan 0.000 0.424 236 N N 1.504 120.226 118.700 0.036 0.000 2.521 236 N HA -0.047 4.692 4.740 -0.002 0.000 0.188 236 N C 0.268 175.793 175.510 0.025 0.000 1.146 236 N CA 0.095 53.162 53.050 0.029 0.000 0.893 236 N CB 0.106 38.606 38.487 0.022 0.000 0.975 236 N HN 0.517 nan 8.380 nan 0.000 0.451 237 C N -0.118 119.197 119.300 0.026 0.000 2.411 237 C HA 0.782 5.241 4.460 -0.002 0.000 0.358 237 C C 0.040 175.044 174.990 0.024 0.000 1.349 237 C CA -0.636 58.396 59.018 0.022 0.000 2.326 237 C CB 0.314 28.066 27.740 0.020 0.000 2.166 237 C HN 0.421 nan 8.230 nan 0.000 0.609 238 A N 2.591 125.424 122.820 0.022 0.000 2.285 238 A HA 0.631 4.950 4.320 -0.002 0.000 0.310 238 A C -0.428 177.170 177.584 0.024 0.000 1.266 238 A CA -0.374 51.676 52.037 0.022 0.000 0.832 238 A CB 0.110 19.122 19.000 0.020 0.000 1.163 238 A HN 0.757 nan 8.150 nan 0.000 0.499 239 I N 2.819 123.404 120.570 0.026 0.000 2.349 239 I HA 0.074 4.243 4.170 -0.002 0.000 0.302 239 I C 0.560 176.697 176.117 0.034 0.000 1.180 239 I CA -0.054 61.264 61.300 0.031 0.000 1.405 239 I CB -0.189 37.831 38.000 0.033 0.000 1.474 239 I HN 0.608 nan 8.210 nan 0.000 0.632 264 T N -4.386 110.194 114.554 0.044 0.000 3.442 264 T HA 0.694 5.043 4.350 -0.002 0.000 0.135 264 T C 1.025 175.742 174.700 0.029 0.000 0.806 264 T CA 1.851 63.970 62.100 0.031 0.000 0.810 264 T CB 0.301 69.187 68.868 0.029 0.000 1.131 264 T HN 2.164 nan 8.240 nan 0.000 0.264 265 A N -0.017 122.825 122.820 0.036 0.000 2.441 265 A HA 0.685 5.004 4.320 -0.002 0.000 0.209 265 A C 0.487 178.095 177.584 0.041 0.000 1.645 265 A CA 0.573 52.628 52.037 0.031 0.000 1.362 265 A CB -0.118 18.892 19.000 0.017 0.000 1.035 265 A HN 0.658 nan 8.150 nan 0.000 0.487 266 S N 1.370 117.103 115.700 0.056 0.000 3.041 266 S HA 0.287 4.756 4.470 -0.002 0.000 0.250 266 S C 0.361 175.004 174.600 0.072 0.000 0.898 266 S CA 0.778 59.011 58.200 0.055 0.000 1.100 266 S CB -0.591 62.629 63.200 0.034 0.000 1.149 266 S HN 1.182 nan 8.310 nan 0.000 0.540 267 E N 0.300 120.577 120.200 0.128 0.000 2.238 267 E HA -0.257 4.092 4.350 -0.002 0.000 0.219 267 E C 0.179 176.808 176.600 0.049 0.000 1.275 267 E CA 0.877 57.369 56.400 0.153 0.000 0.714 267 E CB -2.026 27.750 29.700 0.126 0.000 1.154 267 E HN 0.680 nan 8.360 nan 0.000 0.363 268 M N 0.287 119.921 119.600 0.057 0.000 2.747 268 M HA 0.006 4.485 4.480 -0.002 0.000 0.221 268 M C 0.495 176.809 176.300 0.023 0.000 1.107 268 M CA 0.472 55.788 55.300 0.026 0.000 1.031 268 M CB 0.191 32.808 32.600 0.029 0.000 1.727 268 M HN 0.317 nan 8.290 nan 0.000 0.517 269 L N -1.664 119.578 121.223 0.032 0.000 2.920 269 L HA 0.168 4.507 4.340 -0.002 0.000 0.257 269 L C 1.545 178.363 176.870 -0.087 0.000 1.150 269 L CA 0.654 55.528 54.840 0.057 0.000 0.959 269 L CB -0.550 41.639 42.059 0.215 0.000 1.321 269 L HN 0.173 nan 8.230 nan 0.000 0.555 270 K N 0.344 120.558 120.400 -0.310 0.000 2.283 270 K HA -0.116 4.203 4.320 -0.002 0.000 0.202 270 K C 1.225 177.710 176.600 -0.192 0.000 1.048 270 K CA 0.998 57.029 56.287 -0.426 0.000 0.948 270 K CB 0.246 32.452 32.500 -0.490 0.000 0.742 270 K HN 0.235 nan 8.250 nan 0.000 0.458 271 D N 1.129 121.459 120.400 -0.117 0.000 2.081 271 D HA -0.153 4.486 4.640 -0.002 0.000 0.194 271 D C 1.820 178.094 176.300 -0.043 0.000 0.986 271 D CA 1.411 55.372 54.000 -0.064 0.000 0.837 271 D CB -0.274 40.503 40.800 -0.040 0.000 0.985 271 D HN 0.080 nan 8.370 nan 0.000 0.448 272 M N 0.314 119.900 119.600 -0.023 0.000 2.144 272 M HA -0.147 4.332 4.480 -0.002 0.000 0.260 272 M C 2.186 178.484 176.300 -0.004 0.000 1.067 272 M CA 0.962 56.259 55.300 -0.004 0.000 1.095 272 M CB -0.096 32.514 32.600 0.017 0.000 1.365 272 M HN -0.104 nan 8.290 nan 0.000 0.406 273 V N -0.512 119.395 119.914 -0.012 0.000 2.719 273 V HA -0.096 4.024 4.120 -0.002 0.000 0.252 273 V C 2.209 178.286 176.094 -0.028 0.000 1.065 273 V CA 1.673 63.972 62.300 -0.002 0.000 1.086 273 V CB -0.726 31.116 31.823 0.032 0.000 0.700 273 V HN 0.506 nan 8.190 nan 0.000 0.467 274 A N -0.809 121.980 122.820 -0.051 0.000 2.220 274 A HA 0.094 4.413 4.320 -0.002 0.000 0.211 274 A C 1.958 179.523 177.584 -0.032 0.000 1.176 274 A CA 0.234 52.243 52.037 -0.048 0.000 0.834 274 A CB -0.094 18.864 19.000 -0.068 0.000 0.868 274 A HN 0.527 nan 8.150 nan 0.000 0.488 275 E N -0.068 120.117 120.200 -0.026 0.000 2.216 275 E HA -0.028 4.321 4.350 -0.002 0.000 0.192 275 E C 1.405 177.999 176.600 -0.010 0.000 0.988 275 E CA 0.809 57.199 56.400 -0.016 0.000 0.834 275 E CB -0.105 29.587 29.700 -0.012 0.000 0.772 275 E HN 0.696 nan 8.360 nan 0.000 0.479 276 I N 0.933 121.497 120.570 -0.009 0.000 2.480 276 I HA -0.157 4.012 4.170 -0.002 0.000 0.251 276 I C 2.431 178.543 176.117 -0.008 0.000 1.124 276 I CA 0.736 62.032 61.300 -0.005 0.000 1.444 276 I CB -0.026 37.972 38.000 -0.004 0.000 1.098 276 I HN -0.073 nan 8.210 nan 0.000 0.428 277 K N 1.527 121.919 120.400 -0.013 0.000 2.439 277 K HA -0.035 4.284 4.320 -0.002 0.000 0.197 277 K C 1.998 178.590 176.600 -0.012 0.000 1.041 277 K CA 0.851 57.129 56.287 -0.014 0.000 0.970 277 K CB 0.115 32.603 32.500 -0.019 0.000 0.773 277 K HN 0.284 nan 8.250 nan 0.000 0.479 278 A N 0.715 123.528 122.820 -0.012 0.000 1.968 278 A HA -0.095 4.224 4.320 -0.002 0.000 0.217 278 A C 1.955 179.536 177.584 -0.006 0.000 1.169 278 A CA 1.678 53.709 52.037 -0.010 0.000 0.638 278 A CB -0.287 18.707 19.000 -0.011 0.000 0.812 278 A HN 0.441 nan 8.150 nan 0.000 0.446 279 S N -2.148 113.550 115.700 -0.003 0.000 2.496 279 S HA 0.376 4.845 4.470 -0.002 0.000 0.224 279 S C 1.351 175.952 174.600 0.002 0.000 0.996 279 S CA 0.985 59.186 58.200 0.001 0.000 0.927 279 S CB -0.083 63.120 63.200 0.004 0.000 0.774 279 S HN 1.852 nan 8.310 nan 0.000 0.524 280 G N 0.665 109.464 108.800 -0.001 0.000 2.131 280 G HA2 0.030 3.989 3.960 -0.002 0.000 0.201 280 G HA3 0.030 3.989 3.960 -0.002 0.000 0.201 280 G C 0.031 174.932 174.900 0.002 0.000 1.000 280 G CA -0.305 44.795 45.100 0.000 0.000 0.680 280 G HN 1.186 nan 8.290 nan 0.000 0.514 281 A N 0.576 123.396 122.820 0.000 0.000 2.269 281 A HA 0.634 4.953 4.320 -0.002 0.000 0.302 281 A C 1.008 178.585 177.584 -0.011 0.000 1.266 281 A CA 0.274 52.311 52.037 0.000 0.000 0.894 281 A CB 0.229 19.231 19.000 0.004 0.000 1.147 281 A HN 0.895 nan 8.150 nan 0.000 0.537 282 N N 1.698 120.391 118.700 -0.011 0.000 2.268 282 N HA 0.172 4.911 4.740 -0.002 0.000 0.204 282 N C -0.570 174.914 175.510 -0.043 0.000 1.124 282 N CA 0.039 53.076 53.050 -0.022 0.000 0.838 282 N CB 0.417 38.897 38.487 -0.012 0.000 0.994 282 N HN 0.211 nan 8.380 nan 0.000 0.489 283 V N 0.595 120.477 119.914 -0.054 0.000 2.891 283 V HA 0.486 4.605 4.120 -0.002 0.000 0.304 283 V C -1.643 174.364 176.094 -0.146 0.000 1.171 283 V CA -1.020 61.205 62.300 -0.125 0.000 0.943 283 V CB 2.354 34.127 31.823 -0.083 0.000 1.037 283 V HN 0.158 nan 8.190 nan 0.000 0.427 284 L N 4.551 125.600 121.223 -0.289 0.000 2.476 284 L HA 0.730 5.069 4.340 -0.002 0.000 0.269 284 L C -1.870 174.790 176.870 -0.351 0.000 0.965 284 L CA 0.093 54.812 54.840 -0.202 0.000 0.845 284 L CB 1.692 43.689 42.059 -0.103 0.000 1.259 284 L HN 0.471 nan 8.230 nan 0.000 0.403 285 F N 4.812 124.769 119.950 0.011 0.000 2.361 285 F HA 0.496 5.021 4.527 -0.002 0.000 0.364 285 F C 0.193 175.998 175.800 0.008 0.000 1.117 285 F CA -0.324 57.681 58.000 0.009 0.000 1.071 285 F CB 1.401 40.405 39.000 0.006 0.000 1.188 285 F HN 0.486 nan 8.300 nan 0.000 0.464 286 C N 4.226 123.612 119.300 0.144 0.000 2.329 286 C HA 0.219 4.678 4.460 -0.002 0.000 0.329 286 C C 1.591 176.634 174.990 0.088 0.000 1.275 286 C CA -0.348 58.725 59.018 0.091 0.000 1.726 286 C CB 0.837 28.606 27.740 0.049 0.000 2.291 286 C HN 1.038 nan 8.230 nan 0.000 0.514 287 Q N 3.159 122.999 119.800 0.067 0.000 2.187 287 Q HA 0.009 4.348 4.340 -0.002 0.000 0.199 287 Q C 0.949 176.971 176.000 0.037 0.000 0.957 287 Q CA 1.104 56.936 55.803 0.049 0.000 0.857 287 Q CB 0.228 28.987 28.738 0.035 0.000 0.929 287 Q HN 0.630 nan 8.270 nan 0.000 0.453 288 K N -0.004 120.416 120.400 0.034 0.000 2.836 288 K HA 0.376 4.695 4.320 -0.002 0.000 0.300 288 K C 0.189 176.805 176.600 0.027 0.000 1.004 288 K CA 0.009 56.312 56.287 0.027 0.000 1.140 288 K CB -0.566 31.948 32.500 0.023 0.000 1.458 288 K HN 0.151 nan 8.250 nan 0.000 0.550 289 G N 0.344 109.158 108.800 0.023 0.000 2.420 289 G HA2 0.534 4.493 3.960 -0.002 0.000 0.284 289 G HA3 0.534 4.493 3.960 -0.002 0.000 0.284 289 G C -0.470 174.443 174.900 0.021 0.000 1.177 289 G CA -0.597 44.516 45.100 0.021 0.000 0.841 289 G HN 0.302 nan 8.290 nan 0.000 0.527 290 I N 1.968 122.550 120.570 0.019 0.000 2.390 290 I HA 0.132 4.301 4.170 -0.002 0.000 0.283 290 I C 0.007 176.134 176.117 0.017 0.000 1.016 290 I CA -0.698 60.614 61.300 0.019 0.000 1.151 290 I CB 1.363 39.372 38.000 0.015 0.000 1.293 290 I HN 0.425 nan 8.210 nan 0.000 0.458 291 D N 4.475 124.888 120.400 0.021 0.000 2.364 291 D HA -0.083 4.556 4.640 -0.002 0.000 0.236 291 D C 0.594 176.898 176.300 0.007 0.000 1.221 291 D CA 0.323 54.333 54.000 0.017 0.000 0.891 291 D CB 1.171 41.986 40.800 0.025 0.000 1.190 291 D HN 0.473 nan 8.370 nan 0.000 0.449 292 D N 1.565 121.962 120.400 -0.006 0.000 2.264 292 D HA -0.068 4.571 4.640 -0.002 0.000 0.208 292 D C 1.814 178.081 176.300 -0.054 0.000 0.966 292 D CA 0.385 54.370 54.000 -0.025 0.000 0.864 292 D CB 0.161 40.943 40.800 -0.030 0.000 0.933 292 D HN 0.356 nan 8.370 nan 0.000 0.499 293 L N 0.231 121.424 121.223 -0.050 0.000 2.095 293 L HA 0.003 4.342 4.340 -0.002 0.000 0.204 293 L C 2.008 178.793 176.870 -0.141 0.000 1.080 293 L CA 0.764 55.530 54.840 -0.123 0.000 0.759 293 L CB -0.099 41.959 42.059 -0.003 0.000 0.914 293 L HN -0.052 nan 8.230 nan 0.000 0.439 294 A N -1.327 121.521 122.820 0.047 0.000 2.259 294 A HA -0.059 4.260 4.320 -0.002 0.000 0.208 294 A C 1.898 179.513 177.584 0.052 0.000 1.201 294 A CA 0.405 52.522 52.037 0.132 0.000 0.824 294 A CB -0.164 18.913 19.000 0.128 0.000 0.838 294 A HN 0.471 nan 8.150 nan 0.000 0.485 295 Q N -1.709 118.090 119.800 -0.002 0.000 2.339 295 Q HA -0.029 4.310 4.340 -0.002 0.000 0.205 295 Q C 1.854 177.847 176.000 -0.013 0.000 0.925 295 Q CA 0.703 56.503 55.803 -0.006 0.000 0.898 295 Q CB -0.086 28.648 28.738 -0.007 0.000 1.013 295 Q HN 0.945 nan 8.270 nan 0.000 0.504 296 H N -0.654 118.312 119.070 -0.174 0.000 2.448 296 H HA -0.060 4.495 4.556 -0.001 0.000 0.292 296 H C 0.957 176.202 175.328 -0.138 0.000 1.035 296 H CA 0.941 56.866 56.048 -0.205 0.000 1.349 296 H CB 0.383 29.951 29.762 -0.324 0.000 1.425 296 H HN 0.223 nan 8.280 nan 0.000 0.539 297 Y N 0.724 120.922 120.300 -0.171 0.000 2.395 297 Y HA -0.039 4.510 4.550 -0.002 0.000 0.293 297 Y C 2.650 178.460 175.900 -0.151 0.000 1.123 297 Y CA 0.375 58.355 58.100 -0.201 0.000 1.227 297 Y CB -0.269 38.151 38.460 -0.067 0.000 1.012 297 Y HN 0.149 nan 8.280 nan 0.000 0.552 298 L N -1.121 120.118 121.223 0.027 0.000 2.049 298 L HA -0.096 4.243 4.340 -0.002 0.000 0.203 298 L C 2.650 179.494 176.870 -0.044 0.000 1.074 298 L CA 0.993 55.829 54.840 -0.007 0.000 0.749 298 L CB -0.814 41.240 42.059 -0.009 0.000 0.907 298 L HN 0.147 nan 8.230 nan 0.000 0.439 299 A N -0.036 122.747 122.820 -0.062 0.000 1.948 299 A HA -0.289 4.030 4.320 -0.002 0.000 0.220 299 A C 2.333 179.871 177.584 -0.077 0.000 1.177 299 A CA 2.058 54.059 52.037 -0.060 0.000 0.636 299 A CB -0.483 18.491 19.000 -0.042 0.000 0.815 299 A HN 0.310 nan 8.150 nan 0.000 0.449 300 K N -0.836 119.481 120.400 -0.138 0.000 2.211 300 K HA -0.098 4.221 4.320 -0.002 0.000 0.203 300 K C 1.546 178.109 176.600 -0.061 0.000 1.050 300 K CA 1.185 57.395 56.287 -0.129 0.000 0.945 300 K CB 0.024 32.385 32.500 -0.231 0.000 0.732 300 K HN 0.441 nan 8.250 nan 0.000 0.451 301 E N -1.140 119.031 120.200 -0.047 0.000 2.318 301 E HA 0.006 4.355 4.350 -0.002 0.000 0.193 301 E C 1.072 177.656 176.600 -0.027 0.000 0.998 301 E CA 0.945 57.327 56.400 -0.030 0.000 0.859 301 E CB 0.805 30.491 29.700 -0.023 0.000 0.812 301 E HN 0.513 nan 8.360 nan 0.000 0.492 302 G N 1.530 110.312 108.800 -0.030 0.000 2.163 302 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.213 302 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.213 302 G C 0.278 175.159 174.900 -0.030 0.000 0.991 302 G CA 0.004 45.088 45.100 -0.026 0.000 0.653 302 G HN 0.184 nan 8.290 nan 0.000 0.518 303 I N 1.962 122.510 120.570 -0.036 0.000 2.352 303 I HA 0.392 4.561 4.170 -0.002 0.000 0.290 303 I C 0.883 176.961 176.117 -0.065 0.000 1.036 303 I CA -1.039 60.233 61.300 -0.047 0.000 1.336 303 I CB 1.395 39.369 38.000 -0.042 0.000 1.407 303 I HN -0.080 nan 8.210 nan 0.000 0.497 304 V N 5.099 124.960 119.914 -0.087 0.000 2.607 304 V HA 0.760 4.879 4.120 -0.002 0.000 0.289 304 V C 0.433 176.410 176.094 -0.194 0.000 1.053 304 V CA -0.445 61.785 62.300 -0.118 0.000 0.996 304 V CB 1.057 32.814 31.823 -0.111 0.000 0.995 304 V HN 0.895 nan 8.190 nan 0.000 0.476 305 A N 2.952 125.660 122.820 -0.186 0.000 2.549 305 A HA 0.944 5.263 4.320 -0.002 0.000 0.297 305 A C -0.624 176.860 177.584 -0.168 0.000 1.061 305 A CA -0.222 51.684 52.037 -0.219 0.000 0.690 305 A CB 1.875 20.802 19.000 -0.122 0.000 1.287 305 A HN 1.694 nan 8.150 nan 0.000 0.402 306 A N 1.825 124.547 122.820 -0.164 0.000 2.356 306 A HA 0.771 5.090 4.320 -0.002 0.000 0.310 306 A C -0.078 177.531 177.584 0.040 0.000 1.075 306 A CA -0.663 51.365 52.037 -0.016 0.000 0.746 306 A CB 0.908 19.965 19.000 0.094 0.000 1.221 306 A HN 1.223 nan 8.150 nan 0.000 0.443 307 R N 2.324 122.847 120.500 0.039 0.000 2.536 307 R HA 0.612 4.951 4.340 -0.002 0.000 0.279 307 R C -0.620 175.711 176.300 0.051 0.000 1.001 307 R CA -0.458 55.667 56.100 0.042 0.000 1.027 307 R CB 0.564 30.879 30.300 0.025 0.000 1.096 307 R HN 0.782 nan 8.270 nan 0.000 0.502 308 R N 0.472 121.000 120.500 0.048 0.000 3.267 308 R HA -0.109 4.230 4.340 -0.002 0.000 0.254 308 R C -0.592 175.735 176.300 0.045 0.000 0.993 308 R CA 0.672 56.795 56.100 0.040 0.000 0.670 308 R CB -1.921 28.396 30.300 0.028 0.000 1.125 308 R HN 0.468 nan 8.270 nan 0.000 0.434 309 V N 2.010 121.961 119.914 0.062 0.000 2.583 309 V HA 0.076 4.195 4.120 -0.002 0.000 0.287 309 V C 1.291 177.397 176.094 0.020 0.000 1.051 309 V CA -0.356 61.976 62.300 0.053 0.000 1.010 309 V CB 1.349 33.221 31.823 0.083 0.000 0.988 309 V HN 0.116 nan 8.190 nan 0.000 0.478 310 K N 3.455 123.856 120.400 0.001 0.000 2.586 310 K HA -0.105 4.214 4.320 -0.002 0.000 0.280 310 K C 1.274 177.866 176.600 -0.014 0.000 0.972 310 K CA 0.349 56.630 56.287 -0.010 0.000 1.040 310 K CB 0.435 32.922 32.500 -0.022 0.000 0.870 310 K HN 0.648 nan 8.250 nan 0.000 0.497 311 K N 1.950 122.345 120.400 -0.009 0.000 2.103 311 K HA -0.184 4.135 4.320 -0.002 0.000 0.207 311 K C 1.829 178.416 176.600 -0.021 0.000 1.048 311 K CA 1.919 58.200 56.287 -0.010 0.000 0.930 311 K CB 0.025 32.522 32.500 -0.005 0.000 0.716 311 K HN 0.640 nan 8.250 nan 0.000 0.444 312 S N 0.499 116.184 115.700 -0.026 0.000 2.382 312 S HA -0.149 4.320 4.470 -0.002 0.000 0.228 312 S C 1.519 176.088 174.600 -0.052 0.000 1.027 312 S CA 1.404 59.583 58.200 -0.034 0.000 0.991 312 S CB -0.280 62.901 63.200 -0.032 0.000 0.823 312 S HN 0.295 nan 8.310 nan 0.000 0.469 313 D N 0.581 120.944 120.400 -0.062 0.000 2.348 313 D HA 0.126 4.765 4.640 -0.002 0.000 0.216 313 D C 1.618 177.845 176.300 -0.121 0.000 0.970 313 D CA 0.556 54.496 54.000 -0.100 0.000 0.889 313 D CB -0.039 40.698 40.800 -0.104 0.000 0.912 313 D HN 0.351 nan 8.370 nan 0.000 0.524 314 M N -0.199 119.356 119.600 -0.076 0.000 2.357 314 M HA 0.025 4.504 4.480 -0.002 0.000 0.266 314 M C 1.774 178.041 176.300 -0.056 0.000 1.095 314 M CA 0.857 56.120 55.300 -0.062 0.000 1.156 314 M CB -0.529 32.059 32.600 -0.020 0.000 1.365 314 M HN -0.008 nan 8.290 nan 0.000 0.447 315 E N 0.135 120.308 120.200 -0.046 0.000 2.107 315 E HA -0.108 4.241 4.350 -0.002 0.000 0.191 315 E C 2.035 178.605 176.600 -0.049 0.000 0.982 315 E CA 0.631 57.009 56.400 -0.037 0.000 0.809 315 E CB 0.031 29.715 29.700 -0.028 0.000 0.756 315 E HN 0.279 nan 8.360 nan 0.000 0.459 316 K N 0.743 121.102 120.400 -0.068 0.000 2.063 316 K HA -0.136 4.183 4.320 -0.002 0.000 0.208 316 K C 2.175 178.719 176.600 -0.093 0.000 1.048 316 K CA 1.022 57.261 56.287 -0.080 0.000 0.928 316 K CB -0.294 32.146 32.500 -0.100 0.000 0.713 316 K HN 0.212 nan 8.250 nan 0.000 0.442 317 L N 0.331 121.478 121.223 -0.126 0.000 2.131 317 L HA -0.075 4.264 4.340 -0.002 0.000 0.206 317 L C 2.561 179.391 176.870 -0.067 0.000 1.087 317 L CA 0.826 55.580 54.840 -0.142 0.000 0.767 317 L CB -0.516 41.391 42.059 -0.254 0.000 0.917 317 L HN 0.087 nan 8.230 nan 0.000 0.441 318 A N 0.704 123.496 122.820 -0.046 0.000 1.892 318 A HA -0.260 4.059 4.320 -0.002 0.000 0.218 318 A C 2.307 179.886 177.584 -0.008 0.000 1.188 318 A CA 2.099 54.127 52.037 -0.016 0.000 0.631 318 A CB -0.336 18.657 19.000 -0.011 0.000 0.822 318 A HN 0.397 nan 8.150 nan 0.000 0.447 319 K N -0.733 119.657 120.400 -0.016 0.000 2.098 319 K HA 0.216 4.535 4.320 -0.002 0.000 0.203 319 K C 2.310 178.909 176.600 -0.001 0.000 1.051 319 K CA 0.853 57.137 56.287 -0.005 0.000 0.957 319 K CB -0.245 32.248 32.500 -0.012 0.000 0.738 319 K HN 0.373 nan 8.250 nan 0.000 0.447 320 A N 1.659 124.468 122.820 -0.019 0.000 1.930 320 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 320 A C 2.284 179.870 177.584 0.004 0.000 1.175 320 A CA 2.022 54.049 52.037 -0.017 0.000 0.627 320 A CB -0.873 18.104 19.000 -0.038 0.000 0.815 320 A HN 0.452 nan 8.150 nan 0.000 0.443 321 T N -4.438 110.120 114.554 0.007 0.000 3.009 321 T HA 0.386 4.735 4.350 -0.002 0.000 0.258 321 T C 1.342 176.067 174.700 0.041 0.000 1.063 321 T CA 1.149 63.266 62.100 0.028 0.000 1.139 321 T CB -0.112 68.775 68.868 0.033 0.000 0.890 321 T HN 1.729 nan 8.240 nan 0.000 0.471 322 G N 1.209 110.031 108.800 0.036 0.000 2.288 322 G HA2 0.219 4.178 3.960 -0.002 0.000 0.205 322 G HA3 0.219 4.178 3.960 -0.002 0.000 0.205 322 G C 0.093 175.012 174.900 0.031 0.000 1.071 322 G CA -0.129 44.995 45.100 0.039 0.000 0.788 322 G HN 0.987 nan 8.290 nan 0.000 0.491 323 A N -0.344 122.493 122.820 0.028 0.000 2.580 323 A HA 0.916 5.235 4.320 -0.002 0.000 0.275 323 A C 0.275 177.874 177.584 0.024 0.000 1.321 323 A CA -0.658 51.398 52.037 0.031 0.000 0.924 323 A CB 0.917 19.942 19.000 0.041 0.000 1.512 323 A HN 0.435 nan 8.150 nan 0.000 0.492 324 N N -0.816 117.900 118.700 0.027 0.000 2.369 324 N HA 0.318 5.057 4.740 -0.002 0.000 0.287 324 N C -1.689 173.836 175.510 0.025 0.000 1.067 324 N CA -0.334 52.728 53.050 0.022 0.000 0.888 324 N CB 2.101 40.599 38.487 0.019 0.000 1.616 324 N HN 0.243 nan 8.380 nan 0.000 0.482 325 V N 3.847 123.773 119.914 0.020 0.000 2.381 325 V HA 0.188 4.307 4.120 -0.002 0.000 0.257 325 V C 0.478 176.584 176.094 0.020 0.000 1.057 325 V CA -0.062 62.251 62.300 0.022 0.000 1.013 325 V CB -0.300 31.532 31.823 0.015 0.000 1.069 325 V HN 0.453 nan 8.190 nan 0.000 0.484 326 I N 4.900 125.485 120.570 0.025 0.000 2.315 326 I HA 0.228 4.397 4.170 -0.002 0.000 0.291 326 I C 1.366 177.495 176.117 0.020 0.000 1.006 326 I CA 0.269 61.581 61.300 0.021 0.000 1.265 326 I CB 1.405 39.417 38.000 0.021 0.000 1.387 326 I HN 0.498 nan 8.210 nan 0.000 0.475 327 T N 4.195 118.759 114.554 0.016 0.000 3.009 327 T HA -0.021 4.328 4.350 -0.002 0.000 0.258 327 T C 0.945 175.653 174.700 0.014 0.000 1.063 327 T CA 0.702 62.811 62.100 0.015 0.000 1.139 327 T CB -0.144 68.731 68.868 0.012 0.000 0.890 327 T HN 0.403 nan 8.240 nan 0.000 0.471 328 N N 1.418 120.125 118.700 0.012 0.000 2.462 328 N HA 0.252 4.991 4.740 -0.002 0.000 0.242 328 N C 0.642 176.159 175.510 0.011 0.000 1.010 328 N CA -0.326 52.730 53.050 0.011 0.000 0.939 328 N CB 0.461 38.953 38.487 0.008 0.000 1.127 328 N HN 0.165 nan 8.380 nan 0.000 0.509 329 I N 3.246 123.823 120.570 0.011 0.000 2.454 329 I HA -0.217 3.952 4.170 -0.002 0.000 0.254 329 I C 1.451 177.573 176.117 0.007 0.000 1.156 329 I CA 1.131 62.438 61.300 0.011 0.000 1.433 329 I CB 0.256 38.263 38.000 0.012 0.000 1.082 329 I HN 0.426 nan 8.210 nan 0.000 0.432 330 K N 0.139 120.542 120.400 0.005 0.000 2.057 330 K HA -0.191 4.128 4.320 -0.002 0.000 0.206 330 K C 1.182 177.784 176.600 0.003 0.000 1.050 330 K CA 1.512 57.801 56.287 0.002 0.000 0.935 330 K CB -0.619 31.882 32.500 0.002 0.000 0.715 330 K HN 0.347 nan 8.250 nan 0.000 0.439 331 D N 0.904 121.307 120.400 0.005 0.000 2.344 331 D HA -0.031 4.608 4.640 -0.002 0.000 0.242 331 D C -0.514 175.790 176.300 0.007 0.000 1.159 331 D CA -0.085 53.918 54.000 0.005 0.000 0.859 331 D CB -0.103 40.701 40.800 0.006 0.000 0.925 331 D HN -0.139 nan 8.370 nan 0.000 0.510 332 L N 0.939 122.166 121.223 0.007 0.000 2.462 332 L HA 0.198 4.537 4.340 -0.002 0.000 0.283 332 L C 0.252 177.126 176.870 0.007 0.000 1.166 332 L CA 0.148 54.994 54.840 0.009 0.000 0.964 332 L CB -0.282 41.783 42.059 0.010 0.000 1.294 332 L HN -0.153 nan 8.230 nan 0.000 0.449 333 S N 2.784 118.489 115.700 0.008 0.000 2.606 333 S HA 0.421 4.890 4.470 -0.002 0.000 0.257 333 S C 1.295 175.900 174.600 0.008 0.000 1.327 333 S CA 0.111 58.315 58.200 0.006 0.000 0.984 333 S CB 1.021 64.225 63.200 0.006 0.000 0.941 333 S HN 0.774 nan 8.310 nan 0.000 0.576 334 A N 1.075 123.899 122.820 0.006 0.000 2.275 334 A HA 0.236 4.555 4.320 -0.002 0.000 0.212 334 A C 1.101 178.690 177.584 0.009 0.000 1.201 334 A CA 0.178 52.219 52.037 0.007 0.000 0.843 334 A CB -0.150 18.852 19.000 0.004 0.000 0.873 334 A HN 0.702 nan 8.150 nan 0.000 0.492 335 Q N -0.278 119.527 119.800 0.009 0.000 2.171 335 Q HA 0.128 4.467 4.340 -0.002 0.000 0.218 335 Q C -0.282 175.726 176.000 0.013 0.000 0.822 335 Q CA 0.121 55.930 55.803 0.010 0.000 0.987 335 Q CB 0.625 29.367 28.738 0.006 0.000 1.144 335 Q HN 0.366 nan 8.270 nan 0.000 0.494 336 D N -0.033 120.377 120.400 0.015 0.000 2.325 336 D HA 0.082 4.721 4.640 -0.002 0.000 0.225 336 D C -0.272 176.045 176.300 0.028 0.000 1.096 336 D CA 0.235 54.247 54.000 0.020 0.000 0.844 336 D CB 0.365 41.176 40.800 0.019 0.000 0.925 336 D HN 0.239 nan 8.370 nan 0.000 0.513 337 L N 0.387 121.627 121.223 0.028 0.000 2.307 337 L HA 0.498 4.837 4.340 -0.002 0.000 0.282 337 L C 1.360 178.253 176.870 0.039 0.000 1.051 337 L CA -0.885 53.977 54.840 0.037 0.000 0.804 337 L CB 1.596 43.673 42.059 0.031 0.000 1.197 337 L HN -0.082 nan 8.230 nan 0.000 0.431 338 G N 0.966 109.796 108.800 0.051 0.000 2.508 338 G HA2 0.294 4.253 3.960 -0.002 0.000 0.278 338 G HA3 0.294 4.253 3.960 -0.002 0.000 0.278 338 G C -1.366 173.564 174.900 0.050 0.000 1.389 338 G CA -0.074 45.056 45.100 0.049 0.000 1.050 338 G HN 0.648 nan 8.290 nan 0.000 0.522 339 D N -1.551 118.879 120.400 0.051 0.000 2.763 339 D HA 0.556 5.195 4.640 -0.002 0.000 0.235 339 D C -0.570 175.762 176.300 0.053 0.000 1.334 339 D CA -0.109 53.920 54.000 0.050 0.000 0.950 339 D CB 1.516 42.340 40.800 0.040 0.000 1.433 339 D HN 0.561 nan 8.370 nan 0.000 0.580 340 A N 1.959 124.815 122.820 0.060 0.000 2.356 340 A HA 0.640 4.959 4.320 -0.002 0.000 0.310 340 A C 1.020 178.637 177.584 0.055 0.000 1.075 340 A CA -0.438 51.635 52.037 0.060 0.000 0.746 340 A CB 1.597 20.642 19.000 0.075 0.000 1.221 340 A HN 0.587 nan 8.150 nan 0.000 0.443 341 G N 0.494 109.323 108.800 0.048 0.000 2.990 341 G HA2 0.397 4.356 3.960 -0.002 0.000 0.206 341 G HA3 0.397 4.356 3.960 -0.002 0.000 0.206 341 G C 0.059 174.984 174.900 0.042 0.000 1.169 341 G CA 0.689 45.814 45.100 0.040 0.000 0.819 341 G HN 0.933 nan 8.290 nan 0.000 0.517 342 L N -0.472 120.784 121.223 0.056 0.000 2.830 342 L HA 0.316 4.655 4.340 -0.002 0.000 0.259 342 L C -1.780 175.145 176.870 0.091 0.000 0.926 342 L CA -0.685 54.191 54.840 0.060 0.000 0.993 342 L CB 1.854 43.943 42.059 0.051 0.000 1.589 342 L HN -0.174 nan 8.230 nan 0.000 0.460 343 V N 3.528 123.498 119.914 0.093 0.000 2.409 343 V HA 0.555 4.674 4.120 -0.002 0.000 0.290 343 V C -0.503 175.659 176.094 0.112 0.000 1.017 343 V CA -0.414 61.966 62.300 0.134 0.000 0.841 343 V CB 1.606 33.514 31.823 0.142 0.000 1.003 343 V HN 0.726 nan 8.190 nan 0.000 0.426 344 E N 3.052 123.340 120.200 0.146 0.000 2.314 344 E HA 0.447 4.796 4.350 -0.002 0.000 0.272 344 E C -1.136 175.555 176.600 0.152 0.000 0.884 344 E CA -0.700 55.758 56.400 0.097 0.000 0.753 344 E CB 2.533 32.244 29.700 0.018 0.000 1.213 344 E HN 0.734 nan 8.360 nan 0.000 0.432 345 E N 3.840 124.099 120.200 0.099 0.000 2.089 345 E HA 0.234 4.583 4.350 -0.002 0.000 0.284 345 E C -0.807 175.828 176.600 0.059 0.000 1.023 345 E CA -0.287 56.187 56.400 0.123 0.000 0.819 345 E CB 0.731 30.481 29.700 0.084 0.000 1.076 345 E HN 0.326 nan 8.360 nan 0.000 0.396 346 R N 3.405 123.955 120.500 0.083 0.000 2.778 346 R HA 0.390 4.729 4.340 -0.002 0.000 0.277 346 R C -0.507 175.840 176.300 0.078 0.000 0.977 346 R CA -0.936 55.139 56.100 -0.042 0.000 0.950 346 R CB 1.771 31.833 30.300 -0.396 0.000 1.165 346 R HN 0.287 nan 8.270 nan 0.000 0.474 347 K N 1.938 122.355 120.400 0.028 0.000 2.253 347 K HA 0.326 4.645 4.320 -0.002 0.000 0.277 347 K C -0.919 175.712 176.600 0.053 0.000 1.053 347 K CA -0.413 55.908 56.287 0.056 0.000 0.892 347 K CB 0.858 33.376 32.500 0.030 0.000 1.102 347 K HN 0.253 nan 8.250 nan 0.000 0.469 348 I N 2.293 122.931 120.570 0.113 0.000 2.439 348 I HA 0.033 4.202 4.170 -0.002 0.000 0.283 348 I C 0.057 176.227 176.117 0.087 0.000 1.023 348 I CA 0.456 61.824 61.300 0.114 0.000 1.100 348 I CB 1.648 39.796 38.000 0.247 0.000 1.238 348 I HN 0.718 nan 8.210 nan 0.000 0.445 349 S N 4.645 120.376 115.700 0.052 0.000 3.748 349 S HA -0.140 4.329 4.470 -0.002 0.000 0.329 349 S C 1.087 175.705 174.600 0.029 0.000 1.104 349 S CA 1.542 59.763 58.200 0.035 0.000 0.954 349 S CB -1.431 61.789 63.200 0.033 0.000 0.910 349 S HN 2.028 nan 8.310 nan 0.000 0.494 350 G N 0.365 109.183 108.800 0.030 0.000 3.757 350 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.215 350 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.215 350 G C -0.305 174.614 174.900 0.032 0.000 1.411 350 G CA 0.275 45.390 45.100 0.024 0.000 0.896 350 G HN 0.801 nan 8.290 nan 0.000 0.581 351 D N 1.841 122.263 120.400 0.037 0.000 2.423 351 D HA 0.472 5.111 4.640 -0.002 0.000 0.238 351 D C 0.810 177.151 176.300 0.068 0.000 1.142 351 D CA 0.979 55.005 54.000 0.042 0.000 0.884 351 D CB 1.303 42.123 40.800 0.034 0.000 1.199 351 D HN 0.797 nan 8.370 nan 0.000 0.438 352 S N 1.207 116.947 115.700 0.067 0.000 2.438 352 S HA 0.672 5.141 4.470 -0.002 0.000 0.316 352 S C -0.159 174.509 174.600 0.113 0.000 1.084 352 S CA -0.897 57.360 58.200 0.095 0.000 1.107 352 S CB 0.834 64.076 63.200 0.069 0.000 0.981 352 S HN 0.351 nan 8.310 nan 0.000 0.466 353 M N 2.638 122.352 119.600 0.189 0.000 2.716 353 M HA 0.539 5.018 4.480 -0.002 0.000 0.307 353 M C -0.911 175.548 176.300 0.265 0.000 1.223 353 M CA -0.766 54.625 55.300 0.151 0.000 0.871 353 M CB 2.095 34.697 32.600 0.003 0.000 1.739 353 M HN 0.569 nan 8.290 nan 0.000 0.475 354 I N 2.157 122.829 120.570 0.170 0.000 2.307 354 I HA 0.249 4.418 4.170 -0.002 0.000 0.287 354 I C -1.161 175.082 176.117 0.210 0.000 1.054 354 I CA -0.306 61.145 61.300 0.252 0.000 1.218 354 I CB 0.066 38.231 38.000 0.275 0.000 1.398 354 I HN 0.374 nan 8.210 nan 0.000 0.475 355 F N 5.634 125.625 119.950 0.069 0.000 2.467 355 F HA 0.192 4.717 4.527 -0.002 0.000 0.362 355 F C 0.718 176.557 175.800 0.066 0.000 1.090 355 F CA -0.386 57.642 58.000 0.047 0.000 1.202 355 F CB 0.897 39.915 39.000 0.031 0.000 1.113 355 F HN 0.076 nan 8.300 nan 0.000 0.541 356 V N 4.374 124.383 119.914 0.158 0.000 2.435 356 V HA 0.140 4.259 4.120 -0.002 0.000 0.263 356 V C 0.220 176.369 176.094 0.092 0.000 1.087 356 V CA -0.515 61.860 62.300 0.125 0.000 1.253 356 V CB -0.809 31.046 31.823 0.054 0.000 1.462 356 V HN 0.757 nan 8.190 nan 0.000 0.547 357 E N 0.857 121.133 120.200 0.127 0.000 2.790 357 E HA 0.414 4.763 4.350 -0.002 0.000 0.256 357 E C -0.276 176.366 176.600 0.069 0.000 1.246 357 E CA -0.800 55.661 56.400 0.101 0.000 1.041 357 E CB 0.549 30.334 29.700 0.143 0.000 1.272 357 E HN 0.338 nan 8.360 nan 0.000 0.603 358 E N -1.012 119.221 120.200 0.055 0.000 2.238 358 E HA -0.223 4.126 4.350 -0.002 0.000 0.219 358 E C -0.627 175.996 176.600 0.039 0.000 1.275 358 E CA 0.062 56.487 56.400 0.041 0.000 0.714 358 E CB -1.869 27.855 29.700 0.039 0.000 1.154 358 E HN 0.352 nan 8.360 nan 0.000 0.363 359 C N 0.525 119.845 119.300 0.034 0.000 2.563 359 C HA 0.111 4.570 4.460 -0.002 0.000 0.358 359 C C 2.017 177.030 174.990 0.038 0.000 1.336 359 C CA -0.596 58.443 59.018 0.035 0.000 2.454 359 C CB 0.836 28.592 27.740 0.027 0.000 2.448 359 C HN 0.435 nan 8.230 nan 0.000 0.670 360 K N 0.353 120.786 120.400 0.055 0.000 2.056 360 K HA 0.025 4.344 4.320 -0.002 0.000 0.205 360 K C 0.489 177.156 176.600 0.112 0.000 1.035 360 K CA 1.364 57.696 56.287 0.075 0.000 0.955 360 K CB -0.387 32.160 32.500 0.078 0.000 0.769 360 K HN 0.691 nan 8.250 nan 0.000 0.447 361 H N 1.568 120.642 119.070 0.007 0.000 2.418 361 H HA 0.265 4.821 4.556 0.001 0.000 0.238 361 H C -2.627 172.702 175.328 0.002 0.000 1.403 361 H CA -2.196 53.854 56.048 0.004 0.000 1.419 361 H CB 0.458 30.222 29.762 0.004 0.000 1.463 361 H HN -0.065 nan 8.280 nan 0.000 0.515 362 P HA 0.131 nan 4.420 nan 0.000 0.276 362 P C 0.179 177.412 177.300 -0.113 0.000 1.243 362 P CA -0.476 62.578 63.100 -0.078 0.000 0.768 362 P CB 1.131 32.790 31.700 -0.069 0.000 0.856 363 K N 1.064 121.435 120.400 -0.048 0.000 2.373 363 K HA 0.467 4.786 4.320 -0.002 0.000 0.202 363 K C 0.245 176.824 176.600 -0.034 0.000 1.025 363 K CA -0.133 56.131 56.287 -0.038 0.000 1.115 363 K CB 0.654 33.156 32.500 0.003 0.000 0.858 363 K HN 0.493 nan 8.250 nan 0.000 0.525 364 A N 0.168 122.964 122.820 -0.039 0.000 2.475 364 A HA 0.760 5.079 4.320 -0.002 0.000 0.301 364 A C -1.067 176.490 177.584 -0.045 0.000 1.059 364 A CA -0.577 51.435 52.037 -0.042 0.000 0.710 364 A CB 1.762 20.736 19.000 -0.044 0.000 1.288 364 A HN -0.114 nan 8.150 nan 0.000 0.408 365 V N 0.322 120.210 119.914 -0.044 0.000 3.049 365 V HA 0.684 4.803 4.120 -0.002 0.000 0.309 365 V C -0.354 175.715 176.094 -0.041 0.000 1.148 365 V CA -0.527 61.749 62.300 -0.040 0.000 0.990 365 V CB 2.501 34.301 31.823 -0.037 0.000 1.039 365 V HN 0.951 nan 8.190 nan 0.000 0.430 366 T N 4.762 119.293 114.554 -0.039 0.000 2.807 366 T HA 0.515 4.864 4.350 -0.002 0.000 0.279 366 T C -0.403 174.280 174.700 -0.028 0.000 0.993 366 T CA -0.452 61.622 62.100 -0.044 0.000 0.970 366 T CB 1.107 69.936 68.868 -0.066 0.000 0.950 366 T HN 0.382 nan 8.240 nan 0.000 0.441 367 M N 3.836 123.420 119.600 -0.027 0.000 2.063 367 M HA 0.311 4.790 4.480 -0.002 0.000 0.348 367 M C -0.700 175.591 176.300 -0.015 0.000 1.180 367 M CA -0.882 54.409 55.300 -0.015 0.000 1.059 367 M CB 0.652 33.244 32.600 -0.014 0.000 1.544 367 M HN 0.367 nan 8.290 nan 0.000 0.447 368 L N 6.570 127.791 121.223 -0.002 0.000 2.295 368 L HA 0.439 4.778 4.340 -0.002 0.000 0.288 368 L C -0.477 176.399 176.870 0.011 0.000 1.079 368 L CA 0.192 55.035 54.840 0.005 0.000 0.830 368 L CB -0.016 42.065 42.059 0.035 0.000 1.200 368 L HN 0.501 nan 8.230 nan 0.000 0.438 369 I N 5.705 126.277 120.570 0.003 0.000 2.440 369 I HA 0.461 4.630 4.170 -0.002 0.000 0.294 369 I C 0.096 176.219 176.117 0.009 0.000 0.995 369 I CA -0.638 60.665 61.300 0.005 0.000 1.306 369 I CB 0.774 38.774 38.000 -0.000 0.000 1.407 369 I HN 0.547 nan 8.210 nan 0.000 0.501 370 R N 3.857 124.364 120.500 0.012 0.000 2.698 370 R HA 0.812 5.151 4.340 -0.002 0.000 0.275 370 R C -0.731 175.575 176.300 0.010 0.000 1.001 370 R CA -1.040 55.068 56.100 0.013 0.000 0.896 370 R CB 2.528 32.841 30.300 0.021 0.000 1.218 370 R HN 0.874 nan 8.270 nan 0.000 0.462 371 G N -0.387 108.418 108.800 0.008 0.000 2.579 371 G HA2 0.258 4.217 3.960 -0.002 0.000 0.292 371 G HA3 0.258 4.217 3.960 -0.002 0.000 0.292 371 G C 0.524 175.427 174.900 0.006 0.000 1.484 371 G CA -0.279 44.826 45.100 0.008 0.000 0.813 371 G HN 0.497 nan 8.290 nan 0.000 0.515 372 T N -1.718 112.840 114.554 0.008 0.000 2.622 372 T HA 0.006 4.355 4.350 -0.002 0.000 0.266 372 T C 1.702 176.404 174.700 0.003 0.000 1.047 372 T CA 2.322 64.426 62.100 0.006 0.000 1.159 372 T CB -0.759 68.114 68.868 0.009 0.000 0.863 372 T HN 1.356 nan 8.240 nan 0.000 0.422 373 T N -0.975 113.583 114.554 0.006 0.000 2.910 373 T HA 0.497 4.846 4.350 -0.002 0.000 0.279 373 T C 0.985 175.669 174.700 -0.026 0.000 0.989 373 T CA -0.303 61.795 62.100 -0.003 0.000 0.968 373 T CB 1.872 70.752 68.868 0.020 0.000 1.135 373 T HN 0.155 nan 8.240 nan 0.000 0.562 374 E N -0.499 119.652 120.200 -0.081 0.000 2.076 374 E HA -0.025 4.324 4.350 -0.002 0.000 0.190 374 E C 1.786 178.283 176.600 -0.173 0.000 0.979 374 E CA 1.493 57.795 56.400 -0.164 0.000 0.807 374 E CB -0.536 28.996 29.700 -0.280 0.000 0.761 374 E HN 0.861 nan 8.360 nan 0.000 0.454 375 H N -1.195 117.877 119.070 0.003 0.000 2.529 375 H HA 0.080 4.635 4.556 -0.002 0.000 0.277 375 H C 1.851 177.181 175.328 0.003 0.000 0.999 375 H CA 0.754 56.804 56.048 0.003 0.000 1.256 375 H CB 0.456 30.219 29.762 0.003 0.000 1.402 375 H HN -0.002 nan 8.280 nan 0.000 0.566 376 V N 0.555 120.528 119.914 0.098 0.000 2.358 376 V HA -0.210 3.909 4.120 -0.002 0.000 0.246 376 V C 2.201 178.317 176.094 0.037 0.000 1.047 376 V CA 1.583 63.918 62.300 0.058 0.000 1.035 376 V CB -0.281 31.565 31.823 0.039 0.000 0.658 376 V HN 0.428 nan 8.190 nan 0.000 0.452 377 I N -0.330 120.251 120.570 0.018 0.000 2.252 377 I HA -0.222 3.947 4.170 -0.002 0.000 0.245 377 I C 2.590 178.714 176.117 0.012 0.000 1.102 377 I CA 1.607 62.911 61.300 0.007 0.000 1.385 377 I CB -0.283 37.711 38.000 -0.011 0.000 1.064 377 I HN 0.375 nan 8.210 nan 0.000 0.414 378 E N 0.509 120.720 120.200 0.020 0.000 2.204 378 E HA -0.268 4.081 4.350 -0.002 0.000 0.194 378 E C 1.869 178.491 176.600 0.038 0.000 0.989 378 E CA 1.043 57.460 56.400 0.028 0.000 0.824 378 E CB 0.222 29.951 29.700 0.049 0.000 0.756 378 E HN 0.334 nan 8.360 nan 0.000 0.477 379 E N -0.338 119.889 120.200 0.046 0.000 2.250 379 E HA -0.046 4.303 4.350 -0.002 0.000 0.192 379 E C 1.785 178.399 176.600 0.024 0.000 0.986 379 E CA 0.288 56.709 56.400 0.035 0.000 0.849 379 E CB 0.174 29.897 29.700 0.039 0.000 0.797 379 E HN 0.005 nan 8.360 nan 0.000 0.482 380 V N 0.638 120.566 119.914 0.022 0.000 2.594 380 V HA -0.200 3.919 4.120 -0.002 0.000 0.253 380 V C 2.192 178.293 176.094 0.012 0.000 1.069 380 V CA 1.680 63.990 62.300 0.016 0.000 1.082 380 V CB -0.548 31.283 31.823 0.014 0.000 0.680 380 V HN 0.468 nan 8.190 nan 0.000 0.469 381 A N -0.350 122.477 122.820 0.011 0.000 1.897 381 A HA -0.145 4.174 4.320 -0.002 0.000 0.215 381 A C 2.343 179.931 177.584 0.007 0.000 1.181 381 A CA 1.239 53.279 52.037 0.006 0.000 0.620 381 A CB -0.427 18.575 19.000 0.004 0.000 0.821 381 A HN 0.452 nan 8.150 nan 0.000 0.443 382 R N -0.495 120.011 120.500 0.011 0.000 2.152 382 R HA -0.050 4.289 4.340 -0.002 0.000 0.232 382 R C 2.297 178.602 176.300 0.008 0.000 1.117 382 R CA 0.958 57.063 56.100 0.010 0.000 0.981 382 R CB -0.308 30.000 30.300 0.013 0.000 0.870 382 R HN 0.533 nan 8.270 nan 0.000 0.451 383 A N 0.343 123.169 122.820 0.010 0.000 1.897 383 A HA -0.065 4.254 4.320 -0.002 0.000 0.215 383 A C 2.216 179.805 177.584 0.007 0.000 1.181 383 A CA 0.937 52.980 52.037 0.010 0.000 0.620 383 A CB -0.268 18.740 19.000 0.013 0.000 0.821 383 A HN 0.104 nan 8.150 nan 0.000 0.443 384 V N 0.676 120.594 119.914 0.006 0.000 2.490 384 V HA -0.211 3.908 4.120 -0.002 0.000 0.250 384 V C 1.998 178.092 176.094 0.000 0.000 1.061 384 V CA 2.135 64.437 62.300 0.003 0.000 1.064 384 V CB -0.697 31.126 31.823 0.001 0.000 0.670 384 V HN 0.483 nan 8.190 nan 0.000 0.461 385 D N -0.113 120.287 120.400 0.000 0.000 2.178 385 D HA -0.131 4.508 4.640 -0.002 0.000 0.202 385 D C 1.835 178.135 176.300 -0.001 0.000 0.974 385 D CA 1.130 55.129 54.000 -0.001 0.000 0.841 385 D CB -0.058 40.742 40.800 -0.001 0.000 0.953 385 D HN 0.424 nan 8.370 nan 0.000 0.478 386 D N 0.449 120.849 120.400 0.001 0.000 2.103 386 D HA -0.029 4.610 4.640 -0.002 0.000 0.199 386 D C 2.049 178.350 176.300 0.002 0.000 0.978 386 D CA 0.970 54.971 54.000 0.002 0.000 0.829 386 D CB -0.266 40.537 40.800 0.004 0.000 0.981 386 D HN 0.062 nan 8.370 nan 0.000 0.464 387 A N 0.867 123.688 122.820 0.003 0.000 1.849 387 A HA -0.199 4.120 4.320 -0.002 0.000 0.217 387 A C 2.476 180.060 177.584 0.000 0.000 1.202 387 A CA 1.890 53.929 52.037 0.003 0.000 0.629 387 A CB -1.072 17.930 19.000 0.004 0.000 0.834 387 A HN 0.139 nan 8.150 nan 0.000 0.447 388 V N 0.062 119.975 119.914 -0.002 0.000 2.660 388 V HA -0.233 3.886 4.120 -0.002 0.000 0.257 388 V C 2.537 178.628 176.094 -0.004 0.000 1.088 388 V CA 1.904 64.201 62.300 -0.004 0.000 1.106 388 V CB -1.478 30.341 31.823 -0.007 0.000 0.686 388 V HN 0.690 nan 8.190 nan 0.000 0.481 389 G N 0.385 109.183 108.800 -0.003 0.000 2.439 389 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.212 389 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.212 389 G C 1.629 176.528 174.900 -0.002 0.000 1.199 389 G CA 1.082 46.181 45.100 -0.003 0.000 0.807 389 G HN 0.533 nan 8.290 nan 0.000 0.537 390 V N -0.852 119.061 119.914 -0.001 0.000 2.626 390 V HA -0.053 4.066 4.120 -0.002 0.000 0.252 390 V C 2.640 178.734 176.094 -0.000 0.000 1.067 390 V CA 1.231 63.531 62.300 -0.000 0.000 1.081 390 V CB -0.651 31.172 31.823 0.001 0.000 0.686 390 V HN 0.121 nan 8.190 nan 0.000 0.468 391 V N 2.028 121.942 119.914 -0.001 0.000 2.270 391 V HA -0.060 4.059 4.120 -0.002 0.000 0.245 391 V C 2.926 179.018 176.094 -0.003 0.000 1.043 391 V CA 2.345 64.644 62.300 -0.001 0.000 1.014 391 V CB -1.371 30.450 31.823 -0.002 0.000 0.645 391 V HN 0.603 nan 8.190 nan 0.000 0.447 392 G N -1.581 107.217 108.800 -0.004 0.000 2.475 392 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.220 392 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.220 392 G C 1.695 176.593 174.900 -0.003 0.000 1.125 392 G CA 1.383 46.480 45.100 -0.005 0.000 0.755 392 G HN 0.537 nan 8.290 nan 0.000 0.565 393 C N 0.348 119.646 119.300 -0.002 0.000 2.446 393 C HA 0.078 4.537 4.460 -0.002 0.000 0.279 393 C C 3.172 178.162 174.990 -0.001 0.000 1.366 393 C CA 1.460 60.477 59.018 -0.002 0.000 1.763 393 C CB -0.753 26.985 27.740 -0.002 0.000 1.929 393 C HN 0.473 nan 8.230 nan 0.000 0.509 394 T N 1.088 115.642 114.554 -0.001 0.000 2.770 394 T HA 0.004 4.353 4.350 -0.002 0.000 0.258 394 T C 1.699 176.399 174.700 -0.000 0.000 1.039 394 T CA 1.046 63.146 62.100 0.000 0.000 1.143 394 T CB -0.229 68.640 68.868 0.001 0.000 0.866 394 T HN 0.398 nan 8.240 nan 0.000 0.428 395 I N 1.356 121.925 120.570 -0.001 0.000 2.091 395 I HA -0.304 3.865 4.170 -0.002 0.000 0.240 395 I C 2.775 178.892 176.117 -0.001 0.000 1.046 395 I CA 1.736 63.035 61.300 -0.001 0.000 1.306 395 I CB -0.455 37.544 38.000 -0.002 0.000 1.018 395 I HN 0.356 nan 8.210 nan 0.000 0.404 396 E N 0.479 120.678 120.200 -0.001 0.000 2.017 396 E HA -0.238 4.111 4.350 -0.002 0.000 0.193 396 E C 1.873 178.472 176.600 -0.001 0.000 0.997 396 E CA 1.725 58.125 56.400 -0.001 0.000 0.804 396 E CB -0.100 29.599 29.700 -0.002 0.000 0.757 396 E HN 0.468 nan 8.360 nan 0.000 0.448 397 D N -1.532 118.867 120.400 -0.001 0.000 2.075 397 D HA -0.076 4.563 4.640 -0.002 0.000 0.196 397 D C 1.529 177.828 176.300 -0.000 0.000 0.985 397 D CA 1.771 55.770 54.000 -0.001 0.000 0.834 397 D CB -0.225 40.575 40.800 -0.001 0.000 0.987 397 D HN 0.404 nan 8.370 nan 0.000 0.452 398 G N -0.209 108.591 108.800 0.000 0.000 2.234 398 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.235 398 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.235 398 G C 0.444 175.345 174.900 0.001 0.000 0.997 398 G CA 0.116 45.217 45.100 0.001 0.000 0.623 398 G HN 0.346 nan 8.290 nan 0.000 0.514 399 R N 0.378 120.879 120.500 0.001 0.000 2.732 399 R HA 0.838 5.177 4.340 -0.002 0.000 0.278 399 R C 0.331 176.632 176.300 0.002 0.000 0.976 399 R CA -0.275 55.825 56.100 0.001 0.000 0.963 399 R CB 1.779 32.079 30.300 0.000 0.000 1.150 399 R HN 0.645 nan 8.270 nan 0.000 0.478 400 I N -1.648 118.924 120.570 0.003 0.000 3.195 400 I HA 0.744 4.913 4.170 -0.002 0.000 0.313 400 I C -0.856 175.264 176.117 0.005 0.000 1.237 400 I CA -1.128 60.175 61.300 0.004 0.000 0.963 400 I CB 2.255 40.257 38.000 0.005 0.000 1.278 400 I HN 0.513 nan 8.210 nan 0.000 0.460 401 V N 0.226 120.144 119.914 0.006 0.000 3.105 401 V HA 0.767 4.886 4.120 -0.002 0.000 0.311 401 V C -0.290 175.810 176.094 0.011 0.000 1.287 401 V CA -0.219 62.087 62.300 0.009 0.000 1.066 401 V CB 1.391 33.219 31.823 0.007 0.000 1.105 401 V HN 1.024 nan 8.190 nan 0.000 0.462 402 S N 0.482 116.192 115.700 0.016 0.000 2.429 402 S HA 0.769 5.238 4.470 -0.002 0.000 0.302 402 S C 0.436 175.044 174.600 0.014 0.000 1.115 402 S CA 0.059 58.270 58.200 0.019 0.000 1.095 402 S CB 0.578 63.797 63.200 0.030 0.000 0.987 402 S HN 1.754 nan 8.310 nan 0.000 0.474 403 G N 1.640 110.444 108.800 0.007 0.000 2.481 403 G HA2 0.454 4.413 3.960 -0.002 0.000 0.251 403 G HA3 0.454 4.413 3.960 -0.002 0.000 0.251 403 G C 1.099 175.995 174.900 -0.008 0.000 1.492 403 G CA -0.357 44.741 45.100 -0.003 0.000 1.060 403 G HN 2.078 nan 8.290 nan 0.000 0.553 404 G N -2.396 106.389 108.800 -0.024 0.000 2.168 404 G HA2 0.219 4.178 3.960 -0.002 0.000 0.263 404 G HA3 0.219 4.178 3.960 -0.002 0.000 0.263 404 G C 1.530 176.409 174.900 -0.034 0.000 0.977 404 G CA 1.177 46.254 45.100 -0.038 0.000 0.659 404 G HN 2.512 nan 8.290 nan 0.000 0.533 405 G N -1.381 107.401 108.800 -0.031 0.000 2.141 405 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.242 405 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.242 405 G C 1.323 176.203 174.900 -0.034 0.000 0.982 405 G CA 1.626 46.704 45.100 -0.038 0.000 0.662 405 G HN 1.752 nan 8.290 nan 0.000 0.527 406 S N 0.090 115.787 115.700 -0.005 0.000 2.349 406 S HA -0.118 4.351 4.470 -0.002 0.000 0.216 406 S C 2.671 177.255 174.600 -0.026 0.000 1.033 406 S CA 2.827 61.047 58.200 0.032 0.000 1.021 406 S CB -0.511 62.734 63.200 0.075 0.000 0.968 406 S HN 1.367 nan 8.310 nan 0.000 0.426 407 T N -0.989 113.559 114.554 -0.009 0.000 3.227 407 T HA 0.158 4.507 4.350 -0.002 0.000 0.257 407 T C 1.114 175.779 174.700 -0.058 0.000 1.162 407 T CA 0.859 62.945 62.100 -0.023 0.000 1.051 407 T CB -0.229 68.638 68.868 -0.002 0.000 0.953 407 T HN 0.342 nan 8.240 nan 0.000 0.535 408 E N 0.480 120.633 120.200 -0.078 0.000 2.166 408 E HA 0.136 4.485 4.350 -0.002 0.000 0.192 408 E C 2.148 178.675 176.600 -0.121 0.000 0.967 408 E CA 0.250 56.602 56.400 -0.081 0.000 0.840 408 E CB -0.068 29.590 29.700 -0.071 0.000 0.795 408 E HN 0.330 nan 8.360 nan 0.000 0.470 409 V N 0.931 120.727 119.914 -0.196 0.000 2.453 409 V HA -0.186 3.933 4.120 -0.002 0.000 0.247 409 V C 2.212 178.072 176.094 -0.391 0.000 1.048 409 V CA 1.731 63.861 62.300 -0.283 0.000 1.049 409 V CB -0.272 31.338 31.823 -0.355 0.000 0.672 409 V HN 0.215 nan 8.190 nan 0.000 0.457 410 E N 0.862 120.762 120.200 -0.499 0.000 2.005 410 E HA -0.263 4.086 4.350 -0.002 0.000 0.198 410 E C 1.981 178.520 176.600 -0.102 0.000 1.010 410 E CA 1.707 57.951 56.400 -0.261 0.000 0.825 410 E CB -0.684 28.975 29.700 -0.069 0.000 0.769 410 E HN 0.285 nan 8.360 nan 0.000 0.456 411 L N 0.687 121.867 121.223 -0.071 0.000 2.357 411 L HA -0.154 4.185 4.340 -0.002 0.000 0.220 411 L C 2.206 179.069 176.870 -0.012 0.000 1.123 411 L CA 2.301 57.123 54.840 -0.030 0.000 0.782 411 L CB -0.909 41.139 42.059 -0.018 0.000 0.910 411 L HN 0.385 nan 8.230 nan 0.000 0.442 412 S N -1.290 114.390 115.700 -0.033 0.000 2.456 412 S HA -0.109 4.360 4.470 -0.002 0.000 0.224 412 S C 1.954 176.559 174.600 0.009 0.000 1.035 412 S CA 0.558 58.757 58.200 -0.002 0.000 0.940 412 S CB -0.279 62.905 63.200 -0.027 0.000 0.799 412 S HN 0.583 nan 8.310 nan 0.000 0.508 413 M N 0.607 120.198 119.600 -0.014 0.000 2.193 413 M HA 0.278 4.757 4.480 -0.002 0.000 0.265 413 M C 1.937 178.258 176.300 0.035 0.000 1.071 413 M CA 1.021 56.329 55.300 0.013 0.000 1.140 413 M CB -0.412 32.194 32.600 0.010 0.000 1.369 413 M HN -0.074 nan 8.290 nan 0.000 0.423 414 K N 1.571 121.988 120.400 0.029 0.000 2.032 414 K HA -0.015 4.304 4.320 -0.002 0.000 0.209 414 K C 2.144 178.785 176.600 0.068 0.000 1.048 414 K CA 1.438 57.751 56.287 0.044 0.000 0.927 414 K CB -0.949 31.566 32.500 0.025 0.000 0.712 414 K HN 0.498 nan 8.250 nan 0.000 0.441 415 L N 0.439 121.694 121.223 0.052 0.000 2.187 415 L HA -0.151 4.188 4.340 -0.002 0.000 0.213 415 L C 2.730 179.687 176.870 0.145 0.000 1.100 415 L CA 0.982 55.870 54.840 0.079 0.000 0.765 415 L CB -0.224 41.871 42.059 0.060 0.000 0.904 415 L HN 0.213 nan 8.230 nan 0.000 0.437 416 R N 0.181 120.742 120.500 0.103 0.000 2.119 416 R HA -0.147 4.192 4.340 -0.002 0.000 0.222 416 R C 2.232 178.583 176.300 0.084 0.000 1.088 416 R CA 1.296 57.452 56.100 0.092 0.000 0.984 416 R CB 0.111 30.448 30.300 0.062 0.000 0.884 416 R HN 0.560 nan 8.270 nan 0.000 0.447 417 E N -0.844 119.406 120.200 0.085 0.000 2.076 417 E HA -0.248 4.101 4.350 -0.002 0.000 0.190 417 E C 1.778 178.421 176.600 0.072 0.000 0.979 417 E CA 0.875 57.314 56.400 0.065 0.000 0.807 417 E CB -0.828 28.906 29.700 0.057 0.000 0.761 417 E HN 0.432 nan 8.360 nan 0.000 0.454 418 Y N 1.987 122.288 120.300 0.001 0.000 2.365 418 Y HA -0.225 4.325 4.550 -0.002 0.000 0.287 418 Y C 2.254 178.152 175.900 -0.004 0.000 1.162 418 Y CA 1.490 59.586 58.100 -0.006 0.000 1.260 418 Y CB -0.236 38.213 38.460 -0.018 0.000 0.976 418 Y HN 0.184 nan 8.280 nan 0.000 0.548 419 A N 0.103 122.941 122.820 0.031 0.000 2.016 419 A HA -0.083 4.236 4.320 -0.002 0.000 0.217 419 A C 2.008 179.542 177.584 -0.083 0.000 1.162 419 A CA 1.321 53.351 52.037 -0.011 0.000 0.662 419 A CB -0.422 18.629 19.000 0.085 0.000 0.812 419 A HN 0.661 nan 8.150 nan 0.000 0.450 420 E N -0.307 119.850 120.200 -0.072 0.000 2.158 420 E HA -0.040 4.309 4.350 -0.002 0.000 0.191 420 E C 1.623 178.160 176.600 -0.106 0.000 0.982 420 E CA 0.538 56.899 56.400 -0.064 0.000 0.823 420 E CB -0.278 29.402 29.700 -0.034 0.000 0.766 420 E HN 0.536 nan 8.360 nan 0.000 0.468 421 G N 1.725 110.422 108.800 -0.172 0.000 3.262 421 G HA2 0.084 4.043 3.960 -0.002 0.000 0.222 421 G HA3 0.084 4.043 3.960 -0.002 0.000 0.222 421 G C 0.333 175.089 174.900 -0.240 0.000 1.269 421 G CA -0.033 44.950 45.100 -0.195 0.000 1.032 421 G HN 0.053 nan 8.290 nan 0.000 0.502 422 I N 1.547 121.998 120.570 -0.199 0.000 2.410 422 I HA 0.225 4.394 4.170 -0.002 0.000 0.286 422 I C -0.151 175.916 176.117 -0.083 0.000 1.009 422 I CA -0.724 60.481 61.300 -0.158 0.000 1.111 422 I CB 2.022 39.927 38.000 -0.158 0.000 1.262 422 I HN 0.052 nan 8.210 nan 0.000 0.443 423 S N 4.304 119.965 115.700 -0.065 0.000 2.525 423 S HA 0.907 5.376 4.470 -0.002 0.000 0.278 423 S C 0.228 174.810 174.600 -0.029 0.000 1.234 423 S CA -0.164 58.011 58.200 -0.041 0.000 1.058 423 S CB 1.815 64.993 63.200 -0.035 0.000 0.983 423 S HN 1.222 nan 8.310 nan 0.000 0.495 424 G N 2.102 110.890 108.800 -0.020 0.000 2.462 424 G HA2 -0.110 3.849 3.960 -0.002 0.000 0.685 424 G HA3 -0.110 3.849 3.960 -0.002 0.000 0.685 424 G C 0.046 174.942 174.900 -0.005 0.000 1.295 424 G CA -0.442 44.651 45.100 -0.012 0.000 0.941 424 G HN 0.666 nan 8.290 nan 0.000 0.554 425 R N 0.626 121.126 120.500 -0.001 0.000 2.096 425 R HA -0.024 4.315 4.340 -0.002 0.000 0.235 425 R C 2.588 178.894 176.300 0.011 0.000 1.127 425 R CA 2.098 58.202 56.100 0.006 0.000 0.968 425 R CB -0.356 29.949 30.300 0.008 0.000 0.861 425 R HN 0.820 nan 8.270 nan 0.000 0.440 426 E N 0.673 120.878 120.200 0.010 0.000 2.394 426 E HA -0.320 4.029 4.350 -0.002 0.000 0.202 426 E C 1.759 178.383 176.600 0.039 0.000 1.029 426 E CA 1.156 57.569 56.400 0.021 0.000 0.855 426 E CB -0.229 29.482 29.700 0.019 0.000 0.770 426 E HN 0.443 nan 8.360 nan 0.000 0.527 427 Q N 1.018 120.833 119.800 0.024 0.000 2.046 427 Q HA -0.157 4.182 4.340 -0.002 0.000 0.200 427 Q C 2.304 178.339 176.000 0.058 0.000 0.975 427 Q CA 1.457 57.277 55.803 0.028 0.000 0.836 427 Q CB -0.071 28.669 28.738 0.004 0.000 0.896 427 Q HN 0.469 nan 8.270 nan 0.000 0.428 428 L N 0.446 121.698 121.223 0.048 0.000 2.043 428 L HA -0.255 4.084 4.340 -0.002 0.000 0.212 428 L C 2.643 179.573 176.870 0.100 0.000 1.075 428 L CA 1.249 56.125 54.840 0.060 0.000 0.752 428 L CB -0.853 41.229 42.059 0.039 0.000 0.891 428 L HN 0.279 nan 8.230 nan 0.000 0.432 429 A N -0.051 122.826 122.820 0.095 0.000 1.873 429 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 429 A C 2.356 180.134 177.584 0.323 0.000 1.193 429 A CA 2.291 54.423 52.037 0.158 0.000 0.629 429 A CB -1.062 17.979 19.000 0.070 0.000 0.826 429 A HN 0.197 nan 8.150 nan 0.000 0.447 430 V N 0.022 120.079 119.914 0.238 0.000 2.407 430 V HA -0.279 3.840 4.120 -0.002 0.000 0.248 430 V C 2.664 178.900 176.094 0.237 0.000 1.055 430 V CA 2.270 64.716 62.300 0.243 0.000 1.049 430 V CB -0.862 31.079 31.823 0.196 0.000 0.662 430 V HN 0.521 nan 8.190 nan 0.000 0.455 431 R N 0.111 120.718 120.500 0.179 0.000 2.075 431 R HA -0.077 4.262 4.340 -0.002 0.000 0.232 431 R C 2.467 178.862 176.300 0.157 0.000 1.126 431 R CA 1.403 57.589 56.100 0.143 0.000 0.963 431 R CB -0.608 29.749 30.300 0.095 0.000 0.858 431 R HN 0.521 nan 8.270 nan 0.000 0.435 432 A N 0.777 123.712 122.820 0.191 0.000 1.933 432 A HA -0.194 4.125 4.320 -0.002 0.000 0.218 432 A C 1.963 179.651 177.584 0.174 0.000 1.175 432 A CA 1.112 53.264 52.037 0.192 0.000 0.628 432 A CB -0.624 18.528 19.000 0.252 0.000 0.814 432 A HN 0.377 nan 8.150 nan 0.000 0.444 433 F N 0.533 120.536 119.950 0.087 0.000 2.186 433 F HA -0.006 4.520 4.527 -0.002 0.000 0.299 433 F C 2.485 178.235 175.800 -0.083 0.000 1.090 433 F CA 1.122 59.044 58.000 -0.130 0.000 1.307 433 F CB -0.084 38.830 39.000 -0.143 0.000 1.019 433 F HN 0.265 nan 8.300 nan 0.000 0.489 434 A N -0.004 122.989 122.820 0.288 0.000 1.873 434 A HA -0.173 4.146 4.320 -0.002 0.000 0.215 434 A C 1.858 179.472 177.584 0.051 0.000 1.186 434 A CA 1.906 54.049 52.037 0.176 0.000 0.616 434 A CB -0.930 18.157 19.000 0.145 0.000 0.823 434 A HN 0.383 nan 8.150 nan 0.000 0.442 435 D N 0.224 120.646 120.400 0.037 0.000 2.178 435 D HA -0.028 4.611 4.640 -0.002 0.000 0.201 435 D C 2.181 178.449 176.300 -0.054 0.000 0.980 435 D CA 1.309 55.308 54.000 -0.002 0.000 0.842 435 D CB -0.436 40.373 40.800 0.015 0.000 0.948 435 D HN 0.416 nan 8.370 nan 0.000 0.472 436 A N 1.012 123.767 122.820 -0.108 0.000 1.873 436 A HA -0.190 4.129 4.320 -0.002 0.000 0.218 436 A C 2.275 179.748 177.584 -0.184 0.000 1.193 436 A CA 1.185 53.106 52.037 -0.194 0.000 0.629 436 A CB -0.958 17.806 19.000 -0.393 0.000 0.826 436 A HN 0.275 nan 8.150 nan 0.000 0.447 437 L N -0.676 120.437 121.223 -0.184 0.000 2.353 437 L HA -0.157 4.182 4.340 -0.002 0.000 0.220 437 L C 1.937 178.749 176.870 -0.097 0.000 1.133 437 L CA 1.073 55.829 54.840 -0.140 0.000 0.798 437 L CB -0.632 41.374 42.059 -0.088 0.000 0.922 437 L HN 0.491 nan 8.230 nan 0.000 0.445 438 E N -0.415 119.737 120.200 -0.081 0.000 2.512 438 E HA -0.097 4.252 4.350 -0.002 0.000 0.195 438 E C 1.902 178.464 176.600 -0.063 0.000 1.083 438 E CA -0.035 56.325 56.400 -0.065 0.000 0.873 438 E CB 0.290 29.960 29.700 -0.050 0.000 0.897 438 E HN 0.240 nan 8.360 nan 0.000 0.514 439 V N 0.737 120.606 119.914 -0.075 0.000 2.951 439 V HA -0.147 3.972 4.120 -0.002 0.000 0.255 439 V C 1.629 177.686 176.094 -0.062 0.000 1.088 439 V CA 0.751 63.010 62.300 -0.068 0.000 1.109 439 V CB -0.056 31.720 31.823 -0.078 0.000 0.724 439 V HN 0.278 nan 8.190 nan 0.000 0.471 440 I N 0.991 121.522 120.570 -0.066 0.000 2.233 440 I HA -0.010 4.159 4.170 -0.002 0.000 0.243 440 I C 0.041 176.126 176.117 -0.054 0.000 1.093 440 I CA 1.300 62.564 61.300 -0.059 0.000 1.380 440 I CB -2.703 35.262 38.000 -0.059 0.000 1.067 440 I HN 0.333 nan 8.210 nan 0.000 0.413 441 P HA -0.130 nan 4.420 nan 0.000 0.217 441 P C 1.873 179.146 177.300 -0.045 0.000 1.150 441 P CA 1.460 64.531 63.100 -0.048 0.000 0.832 441 P CB -0.068 31.604 31.700 -0.047 0.000 0.787 442 R N -0.294 120.180 120.500 -0.043 0.000 2.070 442 R HA -0.121 4.218 4.340 -0.002 0.000 0.233 442 R C 2.348 178.625 176.300 -0.037 0.000 1.137 442 R CA 2.472 58.549 56.100 -0.038 0.000 0.945 442 R CB -1.162 29.117 30.300 -0.036 0.000 0.845 442 R HN 0.225 nan 8.270 nan 0.000 0.430 443 T N -1.102 113.428 114.554 -0.040 0.000 2.951 443 T HA -0.032 4.317 4.350 -0.002 0.000 0.268 443 T C 1.924 176.600 174.700 -0.041 0.000 1.073 443 T CA 0.934 63.011 62.100 -0.038 0.000 1.134 443 T CB -0.212 68.633 68.868 -0.038 0.000 0.884 443 T HN 0.205 nan 8.240 nan 0.000 0.479 444 L N 0.842 122.037 121.223 -0.048 0.000 2.083 444 L HA 0.027 4.366 4.340 -0.002 0.000 0.209 444 L C 3.364 180.197 176.870 -0.061 0.000 1.083 444 L CA 1.282 56.087 54.840 -0.058 0.000 0.752 444 L CB -0.840 41.178 42.059 -0.068 0.000 0.899 444 L HN 0.408 nan 8.230 nan 0.000 0.433 445 A N -0.072 122.717 122.820 -0.051 0.000 1.877 445 A HA -0.230 4.089 4.320 -0.002 0.000 0.216 445 A C 2.160 179.723 177.584 -0.035 0.000 1.186 445 A CA 1.676 53.687 52.037 -0.044 0.000 0.620 445 A CB -0.484 18.496 19.000 -0.035 0.000 0.822 445 A HN 0.411 nan 8.150 nan 0.000 0.443 446 E N -0.022 120.159 120.200 -0.030 0.000 2.033 446 E HA -0.239 4.110 4.350 -0.002 0.000 0.199 446 E C 1.877 178.465 176.600 -0.021 0.000 1.011 446 E CA 1.533 57.919 56.400 -0.023 0.000 0.815 446 E CB -0.248 29.438 29.700 -0.023 0.000 0.755 446 E HN 0.591 nan 8.360 nan 0.000 0.451 447 N N 0.482 119.168 118.700 -0.024 0.000 2.205 447 N HA -0.157 4.582 4.740 -0.002 0.000 0.186 447 N C 1.528 177.029 175.510 -0.015 0.000 1.015 447 N CA 1.248 54.287 53.050 -0.018 0.000 0.862 447 N CB -0.420 38.055 38.487 -0.021 0.000 0.986 447 N HN 0.161 nan 8.380 nan 0.000 0.429 448 A N -0.240 122.564 122.820 -0.027 0.000 2.015 448 A HA 0.258 4.577 4.320 -0.002 0.000 0.219 448 A C 1.792 179.372 177.584 -0.006 0.000 1.163 448 A CA 1.677 53.701 52.037 -0.022 0.000 0.646 448 A CB -0.436 18.533 19.000 -0.052 0.000 0.806 448 A HN 0.409 nan 8.150 nan 0.000 0.448 449 G N -2.575 106.219 108.800 -0.009 0.000 2.201 449 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.212 449 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.212 449 G C 0.108 175.004 174.900 -0.006 0.000 0.994 449 G CA 0.075 45.173 45.100 -0.004 0.000 0.644 449 G HN 0.401 nan 8.290 nan 0.000 0.508 450 L N 1.142 122.358 121.223 -0.011 0.000 2.475 450 L HA 0.512 4.851 4.340 -0.002 0.000 0.250 450 L C 0.791 177.654 176.870 -0.011 0.000 1.224 450 L CA -0.037 54.797 54.840 -0.010 0.000 0.821 450 L CB 0.334 42.384 42.059 -0.015 0.000 1.141 450 L HN 0.173 nan 8.230 nan 0.000 0.494 451 D N 0.079 120.474 120.400 -0.008 0.000 2.402 451 D HA 0.287 4.926 4.640 -0.002 0.000 0.235 451 D C 0.870 177.164 176.300 -0.010 0.000 1.226 451 D CA 0.252 54.248 54.000 -0.008 0.000 0.918 451 D CB 1.140 41.937 40.800 -0.005 0.000 1.043 451 D HN 0.580 nan 8.370 nan 0.000 0.506 452 A N 4.676 127.488 122.820 -0.013 0.000 1.927 452 A HA -0.213 4.106 4.320 -0.002 0.000 0.220 452 A C 2.165 179.741 177.584 -0.013 0.000 1.185 452 A CA 1.291 53.318 52.037 -0.016 0.000 0.639 452 A CB -0.561 18.428 19.000 -0.019 0.000 0.820 452 A HN 0.760 nan 8.150 nan 0.000 0.451 453 I N -1.174 119.390 120.570 -0.010 0.000 2.286 453 I HA -0.185 3.984 4.170 -0.002 0.000 0.245 453 I C 2.530 178.644 176.117 -0.004 0.000 1.104 453 I CA 1.717 63.013 61.300 -0.007 0.000 1.397 453 I CB -0.540 37.456 38.000 -0.006 0.000 1.072 453 I HN 0.453 nan 8.210 nan 0.000 0.417 454 E N 2.205 122.403 120.200 -0.003 0.000 2.007 454 E HA -0.186 4.163 4.350 -0.002 0.000 0.194 454 E C 2.215 178.815 176.600 0.000 0.000 0.999 454 E CA 1.534 57.933 56.400 -0.001 0.000 0.811 454 E CB -0.263 29.436 29.700 -0.000 0.000 0.762 454 E HN 0.311 nan 8.360 nan 0.000 0.450 455 I N 0.390 120.958 120.570 -0.003 0.000 2.229 455 I HA -0.282 3.887 4.170 -0.002 0.000 0.250 455 I C 2.269 178.387 176.117 0.001 0.000 1.096 455 I CA 0.887 62.185 61.300 -0.003 0.000 1.358 455 I CB -0.403 37.591 38.000 -0.010 0.000 1.047 455 I HN 0.273 nan 8.210 nan 0.000 0.422 456 L N 0.167 121.388 121.223 -0.003 0.000 2.156 456 L HA -0.117 4.222 4.340 -0.002 0.000 0.208 456 L C 2.330 179.203 176.870 0.006 0.000 1.095 456 L CA 1.413 56.251 54.840 -0.004 0.000 0.770 456 L CB -0.335 41.717 42.059 -0.011 0.000 0.914 456 L HN -0.030 nan 8.230 nan 0.000 0.439 457 V N -0.853 119.065 119.914 0.008 0.000 2.323 457 V HA -0.253 3.866 4.120 -0.002 0.000 0.244 457 V C 2.468 178.575 176.094 0.022 0.000 1.041 457 V CA 1.543 63.851 62.300 0.013 0.000 1.025 457 V CB -0.723 31.106 31.823 0.010 0.000 0.656 457 V HN 0.392 nan 8.190 nan 0.000 0.451 458 K N 0.353 120.764 120.400 0.019 0.000 2.009 458 K HA -0.152 4.167 4.320 -0.002 0.000 0.210 458 K C 2.070 178.695 176.600 0.042 0.000 1.049 458 K CA 1.721 58.022 56.287 0.023 0.000 0.929 458 K CB -0.615 31.894 32.500 0.016 0.000 0.714 458 K HN 0.373 nan 8.250 nan 0.000 0.440 459 V N 1.223 121.168 119.914 0.051 0.000 2.867 459 V HA -0.179 3.940 4.120 -0.002 0.000 0.260 459 V C 2.190 178.383 176.094 0.164 0.000 1.099 459 V CA 1.428 63.790 62.300 0.103 0.000 1.122 459 V CB -0.580 31.288 31.823 0.075 0.000 0.708 459 V HN 0.278 nan 8.190 nan 0.000 0.490 460 R N -0.441 120.112 120.500 0.088 0.000 2.210 460 R HA 0.134 4.473 4.340 -0.002 0.000 0.203 460 R C 2.260 178.616 176.300 0.094 0.000 1.010 460 R CA 0.920 57.069 56.100 0.081 0.000 1.008 460 R CB -0.121 30.199 30.300 0.032 0.000 0.923 460 R HN 0.504 nan 8.270 nan 0.000 0.469 461 A N 0.460 123.322 122.820 0.069 0.000 1.930 461 A HA 0.046 4.365 4.320 -0.002 0.000 0.215 461 A C 2.020 179.630 177.584 0.044 0.000 1.176 461 A CA 1.207 53.273 52.037 0.049 0.000 0.632 461 A CB -0.297 18.720 19.000 0.028 0.000 0.819 461 A HN 0.345 nan 8.150 nan 0.000 0.445 462 A N -1.673 121.172 122.820 0.041 0.000 2.255 462 A HA -0.014 4.305 4.320 -0.002 0.000 0.206 462 A C 1.293 178.785 177.584 -0.154 0.000 1.193 462 A CA 0.682 52.694 52.037 -0.042 0.000 0.794 462 A CB -0.682 18.283 19.000 -0.058 0.000 0.794 462 A HN 0.638 nan 8.150 nan 0.000 0.481 463 H N -1.240 117.832 119.070 0.003 0.000 2.674 463 H HA 0.321 4.876 4.556 -0.002 0.000 0.274 463 H C 0.760 176.092 175.328 0.006 0.000 1.121 463 H CA 0.439 56.490 56.048 0.004 0.000 1.132 463 H CB 0.447 30.211 29.762 0.004 0.000 1.606 463 H HN 0.432 nan 8.280 nan 0.000 0.558 464 A N 1.684 124.548 122.820 0.073 0.000 3.052 464 A HA 0.189 4.508 4.320 -0.002 0.000 0.266 464 A C 1.414 179.020 177.584 0.036 0.000 1.855 464 A CA 0.623 52.692 52.037 0.054 0.000 1.473 464 A CB -0.751 18.270 19.000 0.035 0.000 1.038 464 A HN 0.550 nan 8.150 nan 0.000 0.619 465 S N 0.202 115.930 115.700 0.047 0.000 2.378 465 S HA -0.349 4.120 4.470 -0.002 0.000 0.240 465 S C 0.961 175.572 174.600 0.018 0.000 1.229 465 S CA 1.573 59.793 58.200 0.034 0.000 1.607 465 S CB -2.361 60.855 63.200 0.027 0.000 2.074 465 S HN 0.981 nan 8.310 nan 0.000 0.620 466 N N 3.350 122.054 118.700 0.006 0.000 2.185 466 N HA 0.424 5.163 4.740 -0.002 0.000 0.243 466 N C 1.283 176.778 175.510 -0.024 0.000 1.276 466 N CA 0.388 53.433 53.050 -0.009 0.000 0.941 466 N CB -1.147 37.331 38.487 -0.016 0.000 1.129 466 N HN 0.741 nan 8.380 nan 0.000 0.417 467 G N -0.888 107.882 108.800 -0.050 0.000 2.563 467 G HA2 0.103 4.062 3.960 -0.002 0.000 0.283 467 G HA3 0.103 4.062 3.960 -0.002 0.000 0.283 467 G C 0.366 175.156 174.900 -0.183 0.000 1.309 467 G CA -0.244 44.802 45.100 -0.090 0.000 1.022 467 G HN 0.457 nan 8.290 nan 0.000 0.501 468 N N -0.822 117.662 118.700 -0.359 0.000 2.463 468 N HA 0.001 4.740 4.740 -0.002 0.000 0.183 468 N C 1.505 176.930 175.510 -0.141 0.000 1.064 468 N CA 0.815 53.727 53.050 -0.230 0.000 0.879 468 N CB 0.137 38.493 38.487 -0.219 0.000 1.148 468 N HN 0.799 nan 8.380 nan 0.000 0.451 469 K N -1.759 118.557 120.400 -0.140 0.000 3.572 469 K HA -0.213 4.106 4.320 -0.002 0.000 0.306 469 K C -0.008 176.697 176.600 0.175 0.000 1.286 469 K CA 1.652 58.046 56.287 0.179 0.000 1.010 469 K CB -1.982 30.575 32.500 0.095 0.000 1.268 469 K HN 0.215 nan 8.250 nan 0.000 0.438 470 c N 0.906 119.537 118.600 0.051 0.000 3.512 470 c HA 0.583 5.152 4.570 -0.002 0.000 0.276 470 c C 0.651 174.755 174.090 0.024 0.000 1.592 470 c CA -0.043 56.312 56.329 0.043 0.000 1.803 470 c CB 0.384 42.898 42.510 0.008 0.000 2.996 470 c HN 0.582 nan 8.230 nan 0.000 0.590 471 A N 1.011 123.818 122.820 -0.020 0.000 2.343 471 A HA 0.649 4.968 4.320 -0.002 0.000 0.305 471 A C 0.464 178.141 177.584 0.155 0.000 1.308 471 A CA 0.399 52.421 52.037 -0.025 0.000 0.949 471 A CB -0.201 18.643 19.000 -0.261 0.000 1.148 471 A HN 0.583 nan 8.150 nan 0.000 0.545 472 G N 0.845 109.691 108.800 0.076 0.000 2.680 472 G HA2 0.540 4.499 3.960 -0.002 0.000 0.290 472 G HA3 0.540 4.499 3.960 -0.002 0.000 0.290 472 G C -1.070 173.839 174.900 0.015 0.000 1.355 472 G CA -0.762 44.373 45.100 0.059 0.000 0.903 472 G HN 0.963 nan 8.290 nan 0.000 0.474 473 L N 1.097 122.316 121.223 -0.007 0.000 2.313 473 L HA 0.414 4.753 4.340 -0.002 0.000 0.282 473 L C -0.060 176.768 176.870 -0.069 0.000 1.092 473 L CA -0.894 53.926 54.840 -0.032 0.000 0.831 473 L CB 0.572 42.607 42.059 -0.040 0.000 1.159 473 L HN 0.411 nan 8.230 nan 0.000 0.442 474 N N 3.748 122.408 118.700 -0.066 0.000 2.408 474 N HA 0.078 4.817 4.740 -0.002 0.000 0.257 474 N C 0.942 176.348 175.510 -0.174 0.000 1.064 474 N CA 0.088 53.068 53.050 -0.117 0.000 0.952 474 N CB 1.584 40.053 38.487 -0.030 0.000 1.093 474 N HN 0.667 nan 8.380 nan 0.000 0.490 475 V N 2.094 121.789 119.914 -0.365 0.000 3.305 475 V HA 0.027 4.146 4.120 -0.002 0.000 0.269 475 V C 1.064 176.990 176.094 -0.280 0.000 1.157 475 V CA 0.995 63.085 62.300 -0.348 0.000 1.157 475 V CB -0.967 30.610 31.823 -0.410 0.000 0.772 475 V HN 0.351 nan 8.190 nan 0.000 0.498 476 F N 1.357 121.308 119.950 0.002 0.000 2.208 476 F HA 0.163 4.689 4.527 -0.002 0.000 0.282 476 F C 2.676 178.477 175.800 0.002 0.000 1.071 476 F CA 1.142 59.143 58.000 0.001 0.000 1.228 476 F CB -1.735 37.266 39.000 0.001 0.000 1.088 476 F HN 0.012 nan 8.300 nan 0.000 0.512 477 T N -0.181 114.486 114.554 0.189 0.000 2.564 477 T HA -0.131 4.218 4.350 -0.002 0.000 0.264 477 T C 2.049 176.783 174.700 0.058 0.000 1.100 477 T CA 2.583 64.740 62.100 0.095 0.000 1.171 477 T CB -1.225 67.678 68.868 0.059 0.000 0.863 477 T HN 0.634 nan 8.240 nan 0.000 0.430 478 G N 0.961 109.776 108.800 0.026 0.000 2.254 478 G HA2 0.044 4.003 3.960 -0.002 0.000 0.225 478 G HA3 0.044 4.003 3.960 -0.002 0.000 0.225 478 G C 0.129 175.030 174.900 0.002 0.000 1.003 478 G CA 0.119 45.225 45.100 0.010 0.000 0.622 478 G HN 1.084 nan 8.290 nan 0.000 0.507 479 A N -0.428 122.397 122.820 0.007 0.000 2.322 479 A HA 0.880 5.199 4.320 -0.002 0.000 0.327 479 A C 0.269 177.853 177.584 0.001 0.000 1.134 479 A CA 0.214 52.253 52.037 0.004 0.000 0.831 479 A CB 1.833 20.838 19.000 0.009 0.000 1.288 479 A HN 1.690 nan 8.150 nan 0.000 0.472 480 V N 0.953 120.869 119.914 0.002 0.000 2.508 480 V HA 0.383 4.502 4.120 -0.002 0.000 0.281 480 V C -0.045 176.050 176.094 0.003 0.000 1.041 480 V CA 0.483 62.786 62.300 0.004 0.000 1.016 480 V CB 0.048 31.877 31.823 0.011 0.000 0.984 480 V HN 0.938 nan 8.190 nan 0.000 0.478 481 E N 3.948 124.150 120.200 0.003 0.000 2.449 481 E HA 0.382 4.731 4.350 -0.002 0.000 0.254 481 E C -1.276 175.323 176.600 -0.001 0.000 0.907 481 E CA -0.928 55.474 56.400 0.003 0.000 0.840 481 E CB 1.303 31.009 29.700 0.012 0.000 1.459 481 E HN 0.715 nan 8.360 nan 0.000 0.407 482 D N 1.422 121.821 120.400 -0.001 0.000 2.428 482 D HA 0.106 4.745 4.640 -0.002 0.000 0.221 482 D C 0.765 177.069 176.300 0.006 0.000 1.123 482 D CA -0.128 53.870 54.000 -0.005 0.000 0.869 482 D CB 0.759 41.553 40.800 -0.010 0.000 1.032 482 D HN 0.338 nan 8.370 nan 0.000 0.506 483 M N 1.887 121.494 119.600 0.011 0.000 2.213 483 M HA -0.133 4.346 4.480 -0.002 0.000 0.263 483 M C 2.243 178.553 176.300 0.016 0.000 1.062 483 M CA 0.655 55.964 55.300 0.016 0.000 1.105 483 M CB -0.836 31.775 32.600 0.018 0.000 1.385 483 M HN 0.502 nan 8.290 nan 0.000 0.417 484 c N 0.585 119.193 118.600 0.013 0.000 2.422 484 c HA -0.139 4.430 4.570 -0.002 0.000 0.279 484 c C 2.543 176.640 174.090 0.012 0.000 1.305 484 c CA 0.924 57.260 56.329 0.012 0.000 1.757 484 c CB -0.932 41.583 42.510 0.009 0.000 1.962 484 c HN 0.565 nan 8.230 nan 0.000 0.499 485 E N 0.383 120.589 120.200 0.011 0.000 2.250 485 E HA -0.046 4.303 4.350 -0.002 0.000 0.192 485 E C 1.229 177.839 176.600 0.017 0.000 0.986 485 E CA 0.487 56.893 56.400 0.011 0.000 0.849 485 E CB -0.082 29.623 29.700 0.007 0.000 0.797 485 E HN 0.581 nan 8.360 nan 0.000 0.482 486 N N 0.139 118.853 118.700 0.022 0.000 2.461 486 N HA 0.022 4.761 4.740 -0.002 0.000 0.188 486 N C 0.555 176.087 175.510 0.036 0.000 1.134 486 N CA 0.859 53.929 53.050 0.033 0.000 0.878 486 N CB 0.723 39.235 38.487 0.042 0.000 0.972 486 N HN 0.213 nan 8.380 nan 0.000 0.456 487 G N -0.245 108.571 108.800 0.027 0.000 2.198 487 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.257 487 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.257 487 G C -0.384 174.533 174.900 0.029 0.000 1.042 487 G CA 0.087 45.202 45.100 0.026 0.000 0.791 487 G HN 0.192 nan 8.290 nan 0.000 0.502 488 V N 0.999 120.929 119.914 0.026 0.000 2.277 488 V HA 0.594 4.713 4.120 -0.002 0.000 0.269 488 V C 0.602 176.705 176.094 0.016 0.000 1.036 488 V CA -0.083 62.231 62.300 0.023 0.000 0.821 488 V CB 1.035 32.868 31.823 0.018 0.000 1.052 488 V HN 1.053 nan 8.190 nan 0.000 0.462 489 V N 1.847 121.770 119.914 0.014 0.000 3.007 489 V HA 0.824 4.943 4.120 -0.002 0.000 0.311 489 V C -0.865 175.234 176.094 0.008 0.000 1.120 489 V CA -0.854 61.452 62.300 0.011 0.000 0.980 489 V CB 2.510 34.339 31.823 0.011 0.000 1.033 489 V HN 0.697 nan 8.190 nan 0.000 0.429 490 E N 2.597 122.800 120.200 0.005 0.000 2.290 490 E HA 0.538 4.887 4.350 -0.002 0.000 0.274 490 E C -2.976 173.625 176.600 0.002 0.000 0.889 490 E CA -1.965 54.437 56.400 0.003 0.000 0.760 490 E CB 2.902 32.602 29.700 -0.001 0.000 1.206 490 E HN 0.593 nan 8.360 nan 0.000 0.419 491 P HA -0.131 nan 4.420 nan 0.000 0.269 491 P C 0.344 177.644 177.300 -0.001 0.000 1.205 491 P CA -0.092 63.008 63.100 0.000 0.000 0.780 491 P CB 0.582 32.281 31.700 -0.001 0.000 0.858 492 L N 2.601 123.823 121.223 -0.001 0.000 2.156 492 L HA -0.032 4.307 4.340 -0.002 0.000 0.208 492 L C 2.292 179.160 176.870 -0.003 0.000 1.095 492 L CA 1.605 56.444 54.840 -0.002 0.000 0.770 492 L CB -0.764 41.294 42.059 -0.002 0.000 0.914 492 L HN 0.245 nan 8.230 nan 0.000 0.439 493 R N -1.079 119.419 120.500 -0.003 0.000 2.170 493 R HA -0.148 4.191 4.340 -0.002 0.000 0.242 493 R C 1.999 178.296 176.300 -0.004 0.000 1.145 493 R CA 1.495 57.593 56.100 -0.003 0.000 0.984 493 R CB -0.203 30.096 30.300 -0.003 0.000 0.869 493 R HN 0.358 nan 8.270 nan 0.000 0.455 494 V N 0.900 120.811 119.914 -0.005 0.000 2.427 494 V HA -0.214 3.905 4.120 -0.002 0.000 0.248 494 V C 2.072 178.160 176.094 -0.009 0.000 1.051 494 V CA 1.660 63.956 62.300 -0.007 0.000 1.048 494 V CB -0.201 31.617 31.823 -0.007 0.000 0.666 494 V HN 0.278 nan 8.190 nan 0.000 0.456 495 K N 0.098 120.493 120.400 -0.008 0.000 2.284 495 K HA 0.005 4.324 4.320 -0.002 0.000 0.198 495 K C 2.237 178.834 176.600 -0.004 0.000 1.048 495 K CA 1.424 57.705 56.287 -0.009 0.000 0.987 495 K CB -0.409 32.086 32.500 -0.009 0.000 0.800 495 K HN 0.689 nan 8.250 nan 0.000 0.486 496 T N -0.305 114.247 114.554 -0.003 0.000 2.698 496 T HA -0.181 4.168 4.350 -0.002 0.000 0.260 496 T C 2.172 176.873 174.700 0.001 0.000 1.044 496 T CA 1.101 63.200 62.100 -0.001 0.000 1.149 496 T CB -0.292 68.573 68.868 -0.005 0.000 0.864 496 T HN -0.001 nan 8.240 nan 0.000 0.419 497 Q N 2.106 121.905 119.800 -0.001 0.000 2.077 497 Q HA -0.033 4.306 4.340 -0.002 0.000 0.206 497 Q C 2.421 178.421 176.000 -0.000 0.000 0.989 497 Q CA 2.411 58.214 55.803 -0.000 0.000 0.853 497 Q CB -1.091 27.645 28.738 -0.002 0.000 0.907 497 Q HN 0.691 nan 8.270 nan 0.000 0.418 498 A N -0.058 122.759 122.820 -0.005 0.000 1.902 498 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 498 A C 2.172 179.750 177.584 -0.011 0.000 1.181 498 A CA 1.533 53.563 52.037 -0.012 0.000 0.623 498 A CB -0.718 18.271 19.000 -0.020 0.000 0.818 498 A HN 0.500 nan 8.150 nan 0.000 0.443 499 I N -0.928 119.642 120.570 0.001 0.000 2.394 499 I HA -0.245 3.924 4.170 -0.002 0.000 0.251 499 I C 2.749 178.902 176.117 0.060 0.000 1.136 499 I CA 1.479 62.794 61.300 0.026 0.000 1.425 499 I CB -0.135 37.900 38.000 0.059 0.000 1.079 499 I HN 0.504 nan 8.210 nan 0.000 0.425 500 Q N 0.278 120.102 119.800 0.039 0.000 2.163 500 Q HA -0.126 4.213 4.340 -0.002 0.000 0.198 500 Q C 2.310 178.331 176.000 0.035 0.000 0.954 500 Q CA 1.543 57.372 55.803 0.043 0.000 0.851 500 Q CB 0.194 28.947 28.738 0.023 0.000 0.928 500 Q HN 0.529 nan 8.270 nan 0.000 0.459 501 S N 0.079 115.790 115.700 0.019 0.000 2.423 501 S HA -0.038 4.431 4.470 -0.002 0.000 0.231 501 S C 1.951 176.557 174.600 0.010 0.000 1.014 501 S CA 0.749 58.957 58.200 0.014 0.000 0.965 501 S CB -0.137 63.067 63.200 0.006 0.000 0.785 501 S HN 0.420 nan 8.310 nan 0.000 0.495 502 A N 1.785 124.604 122.820 -0.002 0.000 1.968 502 A HA 0.447 4.766 4.320 -0.002 0.000 0.217 502 A C 2.409 179.988 177.584 -0.008 0.000 1.169 502 A CA 1.256 53.277 52.037 -0.027 0.000 0.638 502 A CB -1.133 17.823 19.000 -0.074 0.000 0.812 502 A HN 0.656 nan 8.150 nan 0.000 0.446 503 A N -0.005 122.841 122.820 0.044 0.000 1.854 503 A HA -0.111 4.208 4.320 -0.002 0.000 0.214 503 A C 1.935 179.586 177.584 0.111 0.000 1.192 503 A CA 1.426 53.535 52.037 0.120 0.000 0.611 503 A CB -0.531 18.597 19.000 0.213 0.000 0.832 503 A HN 0.554 nan 8.150 nan 0.000 0.442 504 E N 0.288 120.534 120.200 0.078 0.000 2.077 504 E HA -0.176 4.173 4.350 -0.002 0.000 0.193 504 E C 2.442 179.080 176.600 0.063 0.000 0.989 504 E CA 1.642 58.082 56.400 0.067 0.000 0.800 504 E CB -0.226 29.501 29.700 0.045 0.000 0.746 504 E HN 0.769 nan 8.360 nan 0.000 0.452 505 S N 0.789 116.519 115.700 0.049 0.000 2.357 505 S HA -0.147 4.322 4.470 -0.002 0.000 0.221 505 S C 2.344 176.977 174.600 0.056 0.000 1.031 505 S CA 1.702 59.928 58.200 0.043 0.000 0.982 505 S CB -0.749 62.467 63.200 0.026 0.000 0.853 505 S HN 0.358 nan 8.310 nan 0.000 0.458 506 T N -0.142 114.452 114.554 0.067 0.000 2.915 506 T HA -0.006 4.343 4.350 -0.002 0.000 0.269 506 T C 1.600 176.381 174.700 0.135 0.000 1.071 506 T CA 1.298 63.454 62.100 0.093 0.000 1.132 506 T CB -0.624 68.306 68.868 0.103 0.000 0.878 506 T HN 0.588 nan 8.240 nan 0.000 0.479 507 E N 1.195 121.488 120.200 0.155 0.000 2.031 507 E HA -0.128 4.221 4.350 -0.002 0.000 0.193 507 E C 2.280 178.935 176.600 0.091 0.000 0.994 507 E CA 1.728 58.218 56.400 0.150 0.000 0.800 507 E CB -0.338 29.450 29.700 0.147 0.000 0.752 507 E HN 0.767 nan 8.360 nan 0.000 0.447 508 M N 0.313 119.957 119.600 0.074 0.000 2.213 508 M HA -0.129 4.350 4.480 -0.002 0.000 0.263 508 M C 1.864 178.194 176.300 0.051 0.000 1.062 508 M CA 1.510 56.843 55.300 0.055 0.000 1.105 508 M CB -0.098 32.529 32.600 0.046 0.000 1.385 508 M HN 0.054 nan 8.290 nan 0.000 0.417 509 L N 0.598 121.853 121.223 0.054 0.000 2.093 509 L HA -0.106 4.233 4.340 -0.002 0.000 0.208 509 L C 2.394 179.289 176.870 0.042 0.000 1.085 509 L CA 1.050 55.918 54.840 0.047 0.000 0.755 509 L CB -0.483 41.602 42.059 0.043 0.000 0.904 509 L HN 0.446 nan 8.230 nan 0.000 0.435 510 L N -0.852 120.397 121.223 0.043 0.000 2.291 510 L HA -0.136 4.203 4.340 -0.002 0.000 0.214 510 L C 2.453 179.335 176.870 0.019 0.000 1.120 510 L CA 0.762 55.617 54.840 0.024 0.000 0.799 510 L CB -0.387 41.678 42.059 0.011 0.000 0.925 510 L HN 0.178 nan 8.230 nan 0.000 0.446 511 R N -0.147 120.372 120.500 0.033 0.000 2.280 511 R HA 0.099 4.438 4.340 -0.002 0.000 0.207 511 R C 0.391 176.709 176.300 0.030 0.000 1.043 511 R CA 0.292 56.414 56.100 0.036 0.000 1.006 511 R CB -0.017 30.308 30.300 0.043 0.000 0.885 511 R HN 0.267 nan 8.270 nan 0.000 0.467 512 I N 1.854 122.442 120.570 0.029 0.000 2.395 512 I HA -0.032 4.137 4.170 -0.002 0.000 0.289 512 I C 0.588 176.720 176.117 0.025 0.000 1.023 512 I CA 0.019 61.338 61.300 0.031 0.000 1.350 512 I CB 1.289 39.314 38.000 0.042 0.000 1.409 512 I HN 0.100 nan 8.210 nan 0.000 0.507 513 D N 3.051 123.465 120.400 0.023 0.000 2.502 513 D HA 0.099 4.738 4.640 -0.002 0.000 0.232 513 D C -0.053 176.266 176.300 0.032 0.000 1.137 513 D CA 0.028 54.039 54.000 0.018 0.000 0.827 513 D CB 0.489 41.288 40.800 -0.001 0.000 1.141 513 D HN 0.279 nan 8.370 nan 0.000 0.517 514 D N 0.274 120.693 120.400 0.033 0.000 2.819 514 D HA 0.455 5.094 4.640 -0.002 0.000 0.232 514 D C -1.149 175.166 176.300 0.025 0.000 1.160 514 D CA -0.581 53.437 54.000 0.030 0.000 0.858 514 D CB 2.850 43.658 40.800 0.013 0.000 1.610 514 D HN -0.175 nan 8.370 nan 0.000 0.481 515 V N 3.103 123.023 119.914 0.011 0.000 2.823 515 V HA 0.577 4.696 4.120 -0.002 0.000 0.312 515 V C 0.067 176.092 176.094 -0.115 0.000 1.072 515 V CA -0.757 61.526 62.300 -0.029 0.000 0.937 515 V CB 2.169 33.994 31.823 0.004 0.000 1.013 515 V HN 0.491 nan 8.190 nan 0.000 0.430 516 I N 2.897 123.400 120.570 -0.113 0.000 2.698 516 I HA 0.557 4.726 4.170 -0.002 0.000 0.276 516 I C 0.237 176.271 176.117 -0.138 0.000 1.166 516 I CA -0.239 60.982 61.300 -0.132 0.000 1.101 516 I CB 1.277 39.230 38.000 -0.080 0.000 1.305 516 I HN 0.703 nan 8.210 nan 0.000 0.526 517 A N 3.994 126.690 122.820 -0.207 0.000 2.301 517 A HA 0.893 5.212 4.320 -0.002 0.000 0.298 517 A C 0.138 177.644 177.584 -0.131 0.000 1.185 517 A CA -0.161 51.775 52.037 -0.169 0.000 0.830 517 A CB 0.798 19.670 19.000 -0.214 0.000 1.112 517 A HN 0.654 nan 8.150 nan 0.000 0.508 518 A N 1.531 124.299 122.820 -0.087 0.000 2.312 518 A HA 0.848 5.167 4.320 -0.002 0.000 0.310 518 A C 0.333 177.888 177.584 -0.050 0.000 1.139 518 A CA -0.056 51.943 52.037 -0.064 0.000 0.886 518 A CB 0.440 19.410 19.000 -0.049 0.000 1.350 518 A HN 1.218 nan 8.150 nan 0.000 0.479 519 E N 0.000 120.178 120.200 -0.037 0.000 2.725 519 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 519 E CA 0.000 56.384 56.400 -0.027 0.000 0.976 519 E CB 0.000 29.686 29.700 -0.023 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440