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 3kfk_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 ASIDDTELXX DATA SEQUENCE XVLVDKERVS 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 53.026 53.050 -0.040 0.000 0.885 11 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 12 M N 0.526 120.093 119.600 -0.055 0.000 2.532 12 M HA 0.252 4.732 4.480 -0.000 0.000 0.244 12 M C -0.276 175.968 176.300 -0.093 0.000 1.390 12 M CA 0.601 55.864 55.300 -0.061 0.000 1.132 12 M CB 0.697 33.268 32.600 -0.048 0.000 1.466 12 M HN 0.256 nan 8.290 nan 0.000 0.550 13 K N 0.922 121.252 120.400 -0.116 0.000 2.471 13 K HA 0.582 4.902 4.320 -0.000 0.000 0.252 13 K C -1.041 175.413 176.600 -0.244 0.000 0.938 13 K CA -0.491 55.675 56.287 -0.202 0.000 0.796 13 K CB 3.004 35.396 32.500 -0.180 0.000 1.161 13 K HN -0.019 nan 8.250 nan 0.000 0.425 14 R N 2.877 123.154 120.500 -0.370 0.000 2.566 14 R HA 0.318 4.658 4.340 -0.000 0.000 0.271 14 R C -1.707 174.336 176.300 -0.427 0.000 1.071 14 R CA -0.641 55.283 56.100 -0.294 0.000 0.915 14 R CB 1.178 31.398 30.300 -0.133 0.000 1.228 14 R HN 0.520 nan 8.270 nan 0.000 0.449 15 Y N 2.943 123.241 120.300 -0.003 0.000 2.409 15 Y HA 0.461 5.011 4.550 -0.000 0.000 0.339 15 Y C 0.340 176.240 175.900 -0.000 0.000 1.033 15 Y CA -0.963 57.138 58.100 0.002 0.000 1.094 15 Y CB 1.902 40.367 38.460 0.009 0.000 1.210 15 Y HN 0.206 nan 8.280 nan 0.000 0.456 16 M N 2.739 122.426 119.600 0.146 0.000 2.088 16 M HA 0.274 4.754 4.480 -0.000 0.000 0.346 16 M C 1.038 177.376 176.300 0.064 0.000 1.111 16 M CA -0.062 55.284 55.300 0.076 0.000 1.017 16 M CB 0.487 33.114 32.600 0.045 0.000 1.568 16 M HN 1.033 nan 8.290 nan 0.000 0.445 17 G N 4.827 113.654 108.800 0.046 0.000 3.284 17 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.351 17 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.351 17 G C 1.212 176.120 174.900 0.013 0.000 1.232 17 G CA 1.097 46.210 45.100 0.022 0.000 1.001 17 G HN 0.683 nan 8.290 nan 0.000 0.639 18 R N 0.657 121.163 120.500 0.009 0.000 2.148 18 R HA 0.075 4.415 4.340 -0.000 0.000 0.227 18 R C 1.982 178.281 176.300 -0.003 0.000 1.103 18 R CA 1.359 57.457 56.100 -0.003 0.000 0.983 18 R CB -0.214 30.084 30.300 -0.002 0.000 0.874 18 R HN 0.485 nan 8.270 nan 0.000 0.451 19 D N 0.049 120.465 120.400 0.025 0.000 2.323 19 D HA 0.006 4.646 4.640 -0.000 0.000 0.209 19 D C 1.399 177.689 176.300 -0.017 0.000 0.973 19 D CA 0.836 54.851 54.000 0.026 0.000 0.874 19 D CB 0.303 41.174 40.800 0.117 0.000 0.930 19 D HN 0.266 nan 8.370 nan 0.000 0.521 20 A N 0.308 123.148 122.820 0.032 0.000 1.956 20 A HA -0.029 4.291 4.320 -0.000 0.000 0.212 20 A C 2.066 179.634 177.584 -0.026 0.000 1.188 20 A CA 0.389 52.443 52.037 0.029 0.000 0.675 20 A CB -0.133 18.927 19.000 0.100 0.000 0.845 20 A HN 0.044 nan 8.150 nan 0.000 0.455 21 Q N -0.627 119.157 119.800 -0.028 0.000 2.079 21 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 21 Q C 2.283 178.247 176.000 -0.060 0.000 0.974 21 Q CA 1.509 57.286 55.803 -0.042 0.000 0.840 21 Q CB -0.120 28.590 28.738 -0.047 0.000 0.898 21 Q HN 0.612 nan 8.270 nan 0.000 0.430 22 R N -0.055 120.404 120.500 -0.069 0.000 2.148 22 R HA -0.071 4.269 4.340 -0.000 0.000 0.223 22 R C 2.040 178.272 176.300 -0.113 0.000 1.088 22 R CA 0.817 56.869 56.100 -0.080 0.000 0.985 22 R CB 0.048 30.306 30.300 -0.070 0.000 0.880 22 R HN 0.170 nan 8.270 nan 0.000 0.451 23 M N 0.663 120.170 119.600 -0.154 0.000 2.200 23 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 23 M C 1.073 177.297 176.300 -0.127 0.000 1.066 23 M CA 1.661 56.838 55.300 -0.205 0.000 1.127 23 M CB 0.031 32.383 32.600 -0.413 0.000 1.379 23 M HN 0.058 nan 8.290 nan 0.000 0.420 24 N N -0.254 118.403 118.700 -0.071 0.000 2.333 24 N HA 0.081 4.821 4.740 -0.000 0.000 0.178 24 N C 1.636 177.105 175.510 -0.067 0.000 1.018 24 N CA 1.245 54.276 53.050 -0.031 0.000 0.882 24 N CB -0.269 38.219 38.487 0.001 0.000 0.984 24 N HN 0.393 nan 8.380 nan 0.000 0.434 25 I N 0.311 120.837 120.570 -0.073 0.000 2.286 25 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 25 I C 2.113 178.177 176.117 -0.087 0.000 1.104 25 I CA 0.596 61.855 61.300 -0.069 0.000 1.397 25 I CB -0.056 37.909 38.000 -0.060 0.000 1.072 25 I HN 0.073 nan 8.210 nan 0.000 0.417 26 L N 0.578 121.735 121.223 -0.111 0.000 2.093 26 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 26 L C 2.619 179.389 176.870 -0.166 0.000 1.085 26 L CA 1.444 56.210 54.840 -0.124 0.000 0.755 26 L CB -0.240 41.743 42.059 -0.127 0.000 0.904 26 L HN 0.211 nan 8.230 nan 0.000 0.435 27 A N -0.686 121.987 122.820 -0.245 0.000 1.968 27 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 27 A C 2.227 179.704 177.584 -0.178 0.000 1.169 27 A CA 1.295 53.127 52.037 -0.341 0.000 0.638 27 A CB -1.063 17.535 19.000 -0.670 0.000 0.812 27 A HN 0.504 nan 8.150 nan 0.000 0.446 28 G N -0.876 107.855 108.800 -0.116 0.000 2.430 28 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 28 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 28 G C 1.745 176.610 174.900 -0.058 0.000 1.146 28 G CA 0.534 45.594 45.100 -0.066 0.000 0.793 28 G HN 0.511 nan 8.290 nan 0.000 0.537 29 R N -0.497 119.963 120.500 -0.067 0.000 2.119 29 R HA 0.230 4.570 4.340 -0.000 0.000 0.222 29 R C 2.350 178.616 176.300 -0.056 0.000 1.088 29 R CA 0.496 56.563 56.100 -0.055 0.000 0.984 29 R CB -0.256 30.012 30.300 -0.054 0.000 0.884 29 R HN 0.377 nan 8.270 nan 0.000 0.447 30 I N 1.473 122.001 120.570 -0.071 0.000 2.394 30 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 30 I C 1.962 178.049 176.117 -0.050 0.000 1.136 30 I CA 1.170 62.432 61.300 -0.064 0.000 1.425 30 I CB 0.180 38.131 38.000 -0.081 0.000 1.079 30 I HN 0.135 nan 8.210 nan 0.000 0.425 31 I N -2.006 118.534 120.570 -0.049 0.000 3.226 31 I HA 0.137 4.307 4.170 -0.000 0.000 0.277 31 I C 2.320 178.420 176.117 -0.028 0.000 1.243 31 I CA 0.892 62.172 61.300 -0.034 0.000 1.459 31 I CB -0.552 37.431 38.000 -0.028 0.000 1.093 31 I HN -0.001 nan 8.210 nan 0.000 0.453 32 A N 1.492 124.292 122.820 -0.032 0.000 1.970 32 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 32 A C 2.222 179.789 177.584 -0.028 0.000 1.170 32 A CA 1.173 53.193 52.037 -0.029 0.000 0.645 32 A CB -0.494 18.487 19.000 -0.031 0.000 0.816 32 A HN 0.514 nan 8.150 nan 0.000 0.447 33 E N -0.518 119.663 120.200 -0.030 0.000 2.274 33 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 33 E C 1.679 178.265 176.600 -0.024 0.000 0.996 33 E CA 1.203 57.586 56.400 -0.028 0.000 0.840 33 E CB -0.132 29.550 29.700 -0.030 0.000 0.772 33 E HN 0.632 nan 8.360 nan 0.000 0.491 34 T N 0.435 114.975 114.554 -0.023 0.000 2.867 34 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 34 T C 1.884 176.574 174.700 -0.017 0.000 1.057 34 T CA 1.301 63.390 62.100 -0.019 0.000 1.136 34 T CB 0.025 68.883 68.868 -0.017 0.000 0.874 34 T HN 0.162 nan 8.240 nan 0.000 0.466 35 V N -1.091 118.812 119.914 -0.018 0.000 3.376 35 V HA 0.453 4.573 4.120 -0.000 0.000 0.313 35 V C 1.814 177.897 176.094 -0.019 0.000 1.393 35 V CA -0.215 62.075 62.300 -0.016 0.000 1.125 35 V CB -0.502 31.313 31.823 -0.014 0.000 1.037 35 V HN 0.144 nan 8.190 nan 0.000 0.440 36 R N 1.807 122.294 120.500 -0.022 0.000 2.193 36 R HA -0.023 4.317 4.340 -0.000 0.000 0.213 36 R C 2.271 178.556 176.300 -0.025 0.000 1.055 36 R CA 1.403 57.487 56.100 -0.025 0.000 0.995 36 R CB 0.016 30.299 30.300 -0.027 0.000 0.893 36 R HN 0.759 nan 8.270 nan 0.000 0.459 37 S N -1.229 114.457 115.700 -0.023 0.000 2.528 37 S HA -0.063 4.407 4.470 -0.000 0.000 0.219 37 S C 1.745 176.332 174.600 -0.023 0.000 0.985 37 S CA 0.765 58.950 58.200 -0.024 0.000 0.914 37 S CB 0.235 63.422 63.200 -0.022 0.000 0.776 37 S HN 0.391 nan 8.310 nan 0.000 0.526 38 T N 0.087 114.629 114.554 -0.019 0.000 3.023 38 T HA 0.224 4.574 4.350 -0.000 0.000 0.266 38 T C 0.646 175.336 174.700 -0.017 0.000 1.093 38 T CA -0.129 61.961 62.100 -0.016 0.000 1.129 38 T CB -0.623 68.238 68.868 -0.012 0.000 0.899 38 T HN 0.384 nan 8.240 nan 0.000 0.491 39 L N 1.874 123.084 121.223 -0.021 0.000 2.416 39 L HA 0.515 4.855 4.340 -0.000 0.000 0.272 39 L C 0.731 177.583 176.870 -0.030 0.000 1.161 39 L CA 1.084 55.910 54.840 -0.023 0.000 0.845 39 L CB -0.046 41.998 42.059 -0.025 0.000 1.119 39 L HN 0.715 nan 8.230 nan 0.000 0.464 40 G N 3.643 112.427 108.800 -0.027 0.000 2.629 40 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 40 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 40 G C -2.387 172.490 174.900 -0.038 0.000 1.232 40 G CA -0.512 44.563 45.100 -0.041 0.000 0.803 40 G HN 0.496 nan 8.290 nan 0.000 0.638 41 P HA 0.006 nan 4.420 nan 0.000 0.218 41 P C 1.100 178.368 177.300 -0.053 0.000 1.148 41 P CA 1.277 64.367 63.100 -0.016 0.000 0.822 41 P CB 0.116 31.800 31.700 -0.028 0.000 0.784 42 K N 0.073 120.393 120.400 -0.133 0.000 2.969 42 K HA 0.300 4.620 4.320 -0.000 0.000 0.222 42 K C 0.777 177.339 176.600 -0.063 0.000 1.172 42 K CA -0.380 55.845 56.287 -0.103 0.000 1.192 42 K CB 0.234 32.638 32.500 -0.161 0.000 1.111 42 K HN 0.081 nan 8.250 nan 0.000 0.457 43 G N 0.663 109.438 108.800 -0.040 0.000 2.528 43 G HA2 0.345 4.305 3.960 -0.000 0.000 0.289 43 G HA3 0.345 4.305 3.960 -0.000 0.000 0.289 43 G C 0.023 174.912 174.900 -0.018 0.000 1.192 43 G CA -0.602 44.480 45.100 -0.029 0.000 0.921 43 G HN 0.033 nan 8.290 nan 0.000 0.512 44 M N 0.309 119.898 119.600 -0.017 0.000 2.528 44 M HA 0.394 4.874 4.480 -0.000 0.000 0.318 44 M C -0.942 175.352 176.300 -0.009 0.000 1.195 44 M CA -0.618 54.675 55.300 -0.013 0.000 1.000 44 M CB 1.607 34.197 32.600 -0.015 0.000 1.615 44 M HN 0.349 nan 8.290 nan 0.000 0.469 45 D N 0.981 121.377 120.400 -0.008 0.000 2.326 45 D HA 0.508 5.148 4.640 -0.000 0.000 0.251 45 D C -0.533 175.762 176.300 -0.008 0.000 1.023 45 D CA -0.294 53.702 54.000 -0.006 0.000 0.966 45 D CB 1.267 42.064 40.800 -0.005 0.000 1.156 45 D HN 0.136 nan 8.370 nan 0.000 0.494 46 K N 0.988 121.383 120.400 -0.007 0.000 2.378 46 K HA 0.431 4.751 4.320 -0.000 0.000 0.252 46 K C -0.932 175.663 176.600 -0.008 0.000 0.931 46 K CA -0.588 55.694 56.287 -0.008 0.000 0.794 46 K CB 2.256 34.751 32.500 -0.007 0.000 1.181 46 K HN 0.460 nan 8.250 nan 0.000 0.425 47 M N 3.781 123.376 119.600 -0.009 0.000 2.149 47 M HA 0.320 4.800 4.480 -0.000 0.000 0.342 47 M C -1.486 174.809 176.300 -0.008 0.000 1.068 47 M CA -1.051 54.243 55.300 -0.010 0.000 0.991 47 M CB 0.653 33.245 32.600 -0.013 0.000 1.596 47 M HN 0.351 nan 8.290 nan 0.000 0.439 48 L N 6.077 127.296 121.223 -0.006 0.000 2.298 48 L HA 0.504 4.844 4.340 -0.000 0.000 0.284 48 L C -0.871 175.997 176.870 -0.003 0.000 1.013 48 L CA -0.349 54.489 54.840 -0.004 0.000 0.824 48 L CB 1.815 43.874 42.059 -0.001 0.000 1.221 48 L HN 0.403 nan 8.230 nan 0.000 0.418 49 V N 3.694 123.606 119.914 -0.003 0.000 2.313 49 V HA 0.353 4.473 4.120 -0.000 0.000 0.278 49 V C -0.015 176.079 176.094 0.000 0.000 1.017 49 V CA -0.815 61.484 62.300 -0.002 0.000 0.823 49 V CB 1.041 32.862 31.823 -0.003 0.000 1.010 49 V HN 0.800 nan 8.190 nan 0.000 0.443 50 D N 3.771 124.172 120.400 0.002 0.000 2.430 50 D HA 0.064 4.704 4.640 -0.000 0.000 0.285 50 D C 0.892 177.194 176.300 0.003 0.000 1.210 50 D CA -0.084 53.918 54.000 0.003 0.000 1.080 50 D CB 0.533 41.336 40.800 0.005 0.000 1.134 50 D HN 0.462 nan 8.370 nan 0.000 0.562 51 D N -0.258 120.145 120.400 0.004 0.000 2.144 51 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 51 D C 2.234 178.536 176.300 0.004 0.000 0.978 51 D CA 0.703 54.705 54.000 0.004 0.000 0.833 51 D CB -0.394 40.409 40.800 0.004 0.000 0.961 51 D HN 0.290 nan 8.370 nan 0.000 0.470 52 L N -0.131 121.095 121.223 0.004 0.000 2.291 52 L HA 0.109 4.449 4.340 -0.000 0.000 0.214 52 L C 1.879 178.751 176.870 0.004 0.000 1.120 52 L CA 0.915 55.758 54.840 0.005 0.000 0.799 52 L CB -0.336 41.726 42.059 0.006 0.000 0.925 52 L HN 0.337 nan 8.230 nan 0.000 0.446 53 G N -0.593 108.209 108.800 0.003 0.000 2.141 53 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 53 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 53 G C -0.216 174.685 174.900 0.002 0.000 0.982 53 G CA -0.120 44.981 45.100 0.002 0.000 0.662 53 G HN 0.295 nan 8.290 nan 0.000 0.527 54 D N 0.166 120.569 120.400 0.005 0.000 2.390 54 D HA 0.407 5.047 4.640 -0.000 0.000 0.249 54 D C 0.372 176.673 176.300 0.002 0.000 1.144 54 D CA 0.083 54.087 54.000 0.007 0.000 0.880 54 D CB 2.102 42.909 40.800 0.012 0.000 1.182 54 D HN 0.264 nan 8.370 nan 0.000 0.451 55 V N 3.369 123.281 119.914 -0.003 0.000 2.472 55 V HA 0.579 4.699 4.120 -0.000 0.000 0.290 55 V C -0.764 175.320 176.094 -0.017 0.000 1.037 55 V CA -0.424 61.868 62.300 -0.014 0.000 0.908 55 V CB 1.792 33.600 31.823 -0.026 0.000 0.985 55 V HN 0.284 nan 8.190 nan 0.000 0.454 56 V N 6.766 126.671 119.914 -0.015 0.000 2.817 56 V HA 0.572 4.692 4.120 -0.000 0.000 0.303 56 V C -1.200 174.886 176.094 -0.014 0.000 1.151 56 V CA -0.277 62.015 62.300 -0.013 0.000 0.929 56 V CB 2.423 34.252 31.823 0.010 0.000 1.030 56 V HN 0.739 nan 8.190 nan 0.000 0.427 57 V N 5.492 125.394 119.914 -0.020 0.000 2.417 57 V HA 0.798 4.918 4.120 -0.000 0.000 0.291 57 V C 0.080 176.171 176.094 -0.005 0.000 1.024 57 V CA -0.113 62.178 62.300 -0.015 0.000 0.861 57 V CB 1.591 33.400 31.823 -0.023 0.000 0.985 57 V HN 0.998 nan 8.190 nan 0.000 0.436 58 T N 2.736 117.289 114.554 -0.002 0.000 2.923 58 T HA 0.303 4.653 4.350 -0.000 0.000 0.311 58 T C 0.379 175.080 174.700 0.001 0.000 1.183 58 T CA -0.482 61.620 62.100 0.003 0.000 1.020 58 T CB 1.929 70.801 68.868 0.006 0.000 1.165 58 T HN 0.633 nan 8.240 nan 0.000 0.482 59 N N 1.940 120.641 118.700 0.003 0.000 2.432 59 N HA 0.014 4.754 4.740 -0.000 0.000 0.174 59 N C 0.011 175.521 175.510 0.001 0.000 1.037 59 N CA 0.179 53.230 53.050 0.001 0.000 0.892 59 N CB 0.138 38.627 38.487 0.003 0.000 1.049 59 N HN 0.720 nan 8.380 nan 0.000 0.442 60 D N 0.009 120.410 120.400 0.003 0.000 2.520 60 D HA 0.027 4.667 4.640 -0.000 0.000 0.243 60 D C 1.331 177.631 176.300 0.001 0.000 1.160 60 D CA 0.340 54.342 54.000 0.003 0.000 0.877 60 D CB 0.792 41.595 40.800 0.005 0.000 1.150 60 D HN 0.302 nan 8.370 nan 0.000 0.494 61 G N 2.711 111.510 108.800 -0.001 0.000 2.432 61 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 61 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 61 G C 1.442 176.341 174.900 -0.002 0.000 1.135 61 G CA 0.581 45.679 45.100 -0.003 0.000 0.767 61 G HN 0.489 nan 8.290 nan 0.000 0.550 62 V N 1.533 121.447 119.914 0.000 0.000 2.591 62 V HA -0.077 4.043 4.120 -0.000 0.000 0.249 62 V C 3.157 179.252 176.094 0.002 0.000 1.053 62 V CA 2.634 64.934 62.300 0.001 0.000 1.068 62 V CB -0.425 31.399 31.823 0.002 0.000 0.689 62 V HN 0.577 nan 8.190 nan 0.000 0.462 63 T N -1.997 112.559 114.554 0.003 0.000 2.995 63 T HA -0.030 4.320 4.350 -0.000 0.000 0.269 63 T C 1.738 176.440 174.700 0.004 0.000 1.091 63 T CA 1.548 63.651 62.100 0.004 0.000 1.128 63 T CB -0.389 68.482 68.868 0.006 0.000 0.891 63 T HN 0.473 nan 8.240 nan 0.000 0.492 64 I N 0.825 121.396 120.570 0.002 0.000 2.233 64 I HA 0.007 4.177 4.170 -0.000 0.000 0.243 64 I C 2.391 178.509 176.117 0.001 0.000 1.093 64 I CA 1.075 62.376 61.300 0.001 0.000 1.380 64 I CB -0.377 37.622 38.000 -0.002 0.000 1.067 64 I HN 0.151 nan 8.210 nan 0.000 0.413 65 L N 0.156 121.380 121.223 0.001 0.000 2.201 65 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 65 L C 2.679 179.552 176.870 0.005 0.000 1.105 65 L CA 1.048 55.889 54.840 0.003 0.000 0.775 65 L CB -0.473 41.587 42.059 0.002 0.000 0.913 65 L HN 0.154 nan 8.230 nan 0.000 0.440 66 R N -0.076 120.427 120.500 0.005 0.000 2.075 66 R HA -0.055 4.285 4.340 -0.000 0.000 0.226 66 R C 1.625 177.929 176.300 0.006 0.000 1.114 66 R CA 1.019 57.123 56.100 0.006 0.000 0.972 66 R CB 0.009 30.312 30.300 0.005 0.000 0.869 66 R HN 0.402 nan 8.270 nan 0.000 0.437 67 E N 0.477 120.680 120.200 0.006 0.000 2.472 67 E HA 0.057 4.407 4.350 -0.000 0.000 0.196 67 E C 0.502 177.105 176.600 0.006 0.000 1.033 67 E CA -0.161 56.243 56.400 0.006 0.000 0.886 67 E CB 0.448 30.152 29.700 0.006 0.000 0.944 67 E HN 0.267 nan 8.360 nan 0.000 0.492 68 M N -0.637 118.967 119.600 0.006 0.000 2.368 68 M HA 0.377 4.857 4.480 -0.000 0.000 0.311 68 M C -0.122 176.183 176.300 0.008 0.000 1.168 68 M CA -0.392 54.911 55.300 0.006 0.000 1.044 68 M CB 1.326 33.928 32.600 0.004 0.000 1.506 68 M HN -0.369 nan 8.290 nan 0.000 0.475 69 S N 2.016 117.721 115.700 0.009 0.000 2.423 69 S HA 0.405 4.875 4.470 -0.000 0.000 0.302 69 S C -0.459 174.151 174.600 0.017 0.000 1.143 69 S CA -0.691 57.517 58.200 0.012 0.000 1.080 69 S CB -0.409 62.798 63.200 0.011 0.000 1.081 69 S HN 0.469 nan 8.310 nan 0.000 0.522 70 V N 3.918 123.845 119.914 0.021 0.000 2.487 70 V HA 0.429 4.549 4.120 -0.000 0.000 0.298 70 V C 0.381 176.498 176.094 0.038 0.000 1.028 70 V CA -0.577 61.741 62.300 0.031 0.000 0.860 70 V CB 1.867 33.707 31.823 0.029 0.000 0.991 70 V HN 0.698 nan 8.190 nan 0.000 0.427 71 E N 0.698 120.931 120.200 0.055 0.000 2.536 71 E HA 0.116 4.466 4.350 -0.000 0.000 0.220 71 E C 0.410 177.045 176.600 0.058 0.000 0.876 71 E CA -0.154 56.274 56.400 0.046 0.000 1.190 71 E CB 0.392 30.111 29.700 0.032 0.000 1.191 71 E HN 0.723 nan 8.360 nan 0.000 0.557 72 H N 2.647 121.722 119.070 0.009 0.000 2.803 72 H HA 0.058 4.614 4.556 -0.000 0.000 0.330 72 H C -1.685 173.649 175.328 0.011 0.000 1.057 72 H CA -1.279 54.776 56.048 0.011 0.000 1.458 72 H CB 1.560 31.322 29.762 0.001 0.000 1.470 72 H HN -0.203 nan 8.280 nan 0.000 0.560 73 P HA -0.136 nan 4.420 nan 0.000 0.216 73 P C 1.015 178.385 177.300 0.117 0.000 1.150 73 P CA 1.967 65.064 63.100 -0.006 0.000 0.837 73 P CB 0.153 31.801 31.700 -0.087 0.000 0.786 74 A N -0.467 122.535 122.820 0.303 0.000 2.014 74 A HA 0.075 4.395 4.320 -0.000 0.000 0.218 74 A C 2.238 179.895 177.584 0.121 0.000 1.163 74 A CA 1.556 53.715 52.037 0.203 0.000 0.652 74 A CB -1.318 17.802 19.000 0.200 0.000 0.808 74 A HN 0.191 nan 8.150 nan 0.000 0.449 75 A N -0.050 122.859 122.820 0.149 0.000 1.970 75 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 75 A C 2.019 179.633 177.584 0.050 0.000 1.170 75 A CA 1.421 53.492 52.037 0.056 0.000 0.645 75 A CB -0.287 18.739 19.000 0.042 0.000 0.816 75 A HN 0.488 nan 8.150 nan 0.000 0.447 76 K N -0.762 119.677 120.400 0.064 0.000 2.211 76 K HA 0.046 4.366 4.320 -0.000 0.000 0.203 76 K C 1.799 178.418 176.600 0.031 0.000 1.050 76 K CA 1.213 57.524 56.287 0.041 0.000 0.945 76 K CB -0.201 32.321 32.500 0.038 0.000 0.732 76 K HN 0.485 nan 8.250 nan 0.000 0.451 77 M N 0.053 119.674 119.600 0.035 0.000 2.394 77 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 77 M C 1.680 177.993 176.300 0.021 0.000 1.073 77 M CA 0.881 56.198 55.300 0.027 0.000 1.111 77 M CB 0.079 32.697 32.600 0.030 0.000 1.401 77 M HN 0.073 nan 8.290 nan 0.000 0.448 78 L N -0.049 121.185 121.223 0.019 0.000 2.509 78 L HA 0.096 4.436 4.340 -0.000 0.000 0.222 78 L C 1.509 178.385 176.870 0.010 0.000 1.123 78 L CA 0.969 55.816 54.840 0.012 0.000 0.856 78 L CB -0.042 42.020 42.059 0.005 0.000 0.985 78 L HN 0.190 nan 8.230 nan 0.000 0.456 79 I N -1.092 119.485 120.570 0.012 0.000 3.749 79 I HA 0.004 4.174 4.170 -0.000 0.000 0.314 79 I C 1.329 177.452 176.117 0.010 0.000 1.267 79 I CA 0.151 61.457 61.300 0.010 0.000 1.169 79 I CB -0.203 37.804 38.000 0.011 0.000 1.009 79 I HN 0.169 nan 8.210 nan 0.000 0.444 80 E N 0.319 120.526 120.200 0.012 0.000 2.431 80 E HA 0.046 4.396 4.350 -0.000 0.000 0.200 80 E C 2.234 178.841 176.600 0.012 0.000 0.995 80 E CA 0.529 56.936 56.400 0.012 0.000 0.915 80 E CB 0.482 30.190 29.700 0.014 0.000 0.930 80 E HN 0.313 nan 8.360 nan 0.000 0.496 81 V N 1.450 121.371 119.914 0.012 0.000 2.283 81 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 81 V C 2.428 178.527 176.094 0.008 0.000 1.039 81 V CA 1.914 64.221 62.300 0.012 0.000 1.016 81 V CB -0.707 31.123 31.823 0.012 0.000 0.650 81 V HN 0.209 nan 8.190 nan 0.000 0.449 82 A N -0.507 122.316 122.820 0.006 0.000 1.968 82 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 82 A C 2.302 179.888 177.584 0.004 0.000 1.169 82 A CA 1.762 53.801 52.037 0.004 0.000 0.638 82 A CB -0.415 18.586 19.000 0.002 0.000 0.812 82 A HN 0.489 nan 8.150 nan 0.000 0.446 83 K N -0.194 120.209 120.400 0.005 0.000 2.148 83 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 83 K C 1.669 178.272 176.600 0.005 0.000 1.050 83 K CA 1.695 57.985 56.287 0.005 0.000 0.942 83 K CB -0.120 32.384 32.500 0.006 0.000 0.724 83 K HN 0.631 nan 8.250 nan 0.000 0.446 84 T N -2.175 112.383 114.554 0.007 0.000 3.107 84 T HA 0.016 4.366 4.350 -0.000 0.000 0.249 84 T C 1.520 176.223 174.700 0.007 0.000 1.096 84 T CA 0.063 62.167 62.100 0.007 0.000 1.012 84 T CB 0.462 69.336 68.868 0.009 0.000 0.977 84 T HN 0.084 nan 8.240 nan 0.000 0.527 85 Q N 2.330 122.133 119.800 0.006 0.000 2.165 85 Q HA 0.016 4.356 4.340 -0.000 0.000 0.197 85 Q C 2.161 178.163 176.000 0.003 0.000 0.952 85 Q CA 1.493 57.299 55.803 0.005 0.000 0.848 85 Q CB -0.103 28.637 28.738 0.004 0.000 0.931 85 Q HN 0.821 nan 8.270 nan 0.000 0.470 86 E N -0.801 119.400 120.200 0.003 0.000 2.274 86 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 86 E C 1.654 178.254 176.600 0.001 0.000 0.996 86 E CA 0.936 57.337 56.400 0.002 0.000 0.840 86 E CB -0.052 29.649 29.700 0.002 0.000 0.772 86 E HN 0.036 nan 8.360 nan 0.000 0.491 87 K N 0.640 121.041 120.400 0.002 0.000 2.137 87 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 87 K C 1.890 178.491 176.600 0.001 0.000 1.052 87 K CA 1.091 57.379 56.287 0.001 0.000 0.961 87 K CB 0.350 32.851 32.500 0.002 0.000 0.741 87 K HN 0.053 nan 8.250 nan 0.000 0.452 88 E N -0.694 119.507 120.200 0.003 0.000 2.099 88 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 88 E C 1.832 178.434 176.600 0.002 0.000 0.962 88 E CA 0.946 57.347 56.400 0.003 0.000 0.826 88 E CB 0.250 29.953 29.700 0.005 0.000 0.788 88 E HN 0.098 nan 8.360 nan 0.000 0.461 89 V N -1.184 118.731 119.914 0.003 0.000 2.939 89 V HA 0.362 4.482 4.120 -0.000 0.000 0.228 89 V C 1.657 177.752 176.094 0.002 0.000 1.162 89 V CA 1.088 63.389 62.300 0.002 0.000 1.222 89 V CB 0.286 32.111 31.823 0.003 0.000 1.053 89 V HN 0.427 nan 8.190 nan 0.000 0.504 90 G N 0.295 109.096 108.800 0.002 0.000 2.981 90 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.199 90 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.199 90 G C -0.147 174.754 174.900 0.002 0.000 1.586 90 G CA 0.210 45.311 45.100 0.002 0.000 1.162 90 G HN 0.544 nan 8.290 nan 0.000 0.538 91 D N 1.030 121.432 120.400 0.003 0.000 2.210 91 D HA 0.547 5.187 4.640 -0.000 0.000 0.249 91 D C 0.958 177.259 176.300 0.002 0.000 1.078 91 D CA 1.292 55.294 54.000 0.004 0.000 0.875 91 D CB 0.845 41.648 40.800 0.005 0.000 1.175 91 D HN 1.657 nan 8.370 nan 0.000 0.440 92 G N 2.133 110.933 108.800 0.001 0.000 2.145 92 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.176 92 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.176 92 G C 0.952 175.851 174.900 -0.002 0.000 1.013 92 G CA 0.511 45.611 45.100 -0.001 0.000 0.689 92 G HN 0.652 nan 8.290 nan 0.000 0.506 93 T N -3.113 111.440 114.554 -0.002 0.000 2.904 93 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 93 T C 2.232 176.929 174.700 -0.005 0.000 1.059 93 T CA 2.378 64.477 62.100 -0.002 0.000 1.137 93 T CB -0.294 68.574 68.868 -0.000 0.000 0.879 93 T HN 0.244 nan 8.240 nan 0.000 0.467 94 T N 2.740 117.290 114.554 -0.007 0.000 2.812 94 T HA -0.082 4.268 4.350 -0.000 0.000 0.264 94 T C 2.467 177.158 174.700 -0.015 0.000 1.042 94 T CA 1.862 63.956 62.100 -0.010 0.000 1.140 94 T CB -0.858 68.004 68.868 -0.010 0.000 0.870 94 T HN 0.784 nan 8.240 nan 0.000 0.445 95 T N 1.115 115.660 114.554 -0.015 0.000 2.833 95 T HA 0.068 4.418 4.350 -0.000 0.000 0.269 95 T C 2.237 176.924 174.700 -0.022 0.000 1.054 95 T CA 0.989 63.076 62.100 -0.020 0.000 1.135 95 T CB -0.513 68.344 68.868 -0.018 0.000 0.869 95 T HN 0.326 nan 8.240 nan 0.000 0.466 96 A N 0.786 123.597 122.820 -0.015 0.000 2.014 96 A HA 0.204 4.523 4.320 -0.000 0.000 0.218 96 A C 2.499 180.075 177.584 -0.014 0.000 1.163 96 A CA 1.144 53.174 52.037 -0.012 0.000 0.652 96 A CB -0.666 18.332 19.000 -0.004 0.000 0.808 96 A HN 0.441 nan 8.150 nan 0.000 0.449 97 V N -0.831 119.074 119.914 -0.015 0.000 2.500 97 V HA -0.123 3.997 4.120 -0.000 0.000 0.243 97 V C 2.492 178.572 176.094 -0.023 0.000 1.039 97 V CA 1.527 63.818 62.300 -0.015 0.000 1.053 97 V CB -0.500 31.315 31.823 -0.013 0.000 0.695 97 V HN 0.323 nan 8.190 nan 0.000 0.463 98 V N 0.025 119.923 119.914 -0.028 0.000 2.343 98 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 98 V C 2.463 178.529 176.094 -0.046 0.000 1.051 98 V CA 1.795 64.074 62.300 -0.035 0.000 1.036 98 V CB -0.490 31.311 31.823 -0.036 0.000 0.654 98 V HN 0.398 nan 8.190 nan 0.000 0.451 99 V N 0.444 120.326 119.914 -0.054 0.000 2.343 99 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 99 V C 2.732 178.783 176.094 -0.072 0.000 1.051 99 V CA 2.055 64.306 62.300 -0.081 0.000 1.036 99 V CB -1.133 30.634 31.823 -0.092 0.000 0.654 99 V HN 0.565 nan 8.190 nan 0.000 0.451 100 A N 0.372 123.168 122.820 -0.040 0.000 1.972 100 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 100 A C 2.366 179.942 177.584 -0.014 0.000 1.169 100 A CA 1.893 53.920 52.037 -0.015 0.000 0.635 100 A CB -1.024 17.975 19.000 -0.002 0.000 0.810 100 A HN 0.547 nan 8.150 nan 0.000 0.446 101 G N -0.767 108.017 108.800 -0.026 0.000 2.403 101 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 101 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 101 G C 1.448 176.332 174.900 -0.027 0.000 1.154 101 G CA 1.127 46.211 45.100 -0.027 0.000 0.784 101 G HN 0.546 nan 8.290 nan 0.000 0.538 102 E N 0.229 120.407 120.200 -0.038 0.000 2.152 102 E HA 0.085 4.435 4.350 -0.000 0.000 0.192 102 E C 2.414 178.999 176.600 -0.024 0.000 0.983 102 E CA 0.318 56.693 56.400 -0.042 0.000 0.818 102 E CB -0.298 29.361 29.700 -0.068 0.000 0.758 102 E HN 0.418 nan 8.360 nan 0.000 0.467 103 L N -0.117 121.097 121.223 -0.015 0.000 2.275 103 L HA -0.074 4.266 4.340 -0.000 0.000 0.215 103 L C 1.995 178.944 176.870 0.131 0.000 1.119 103 L CA 0.543 55.435 54.840 0.087 0.000 0.790 103 L CB -0.157 41.968 42.059 0.110 0.000 0.919 103 L HN 0.205 nan 8.230 nan 0.000 0.443 104 L N -1.106 120.144 121.223 0.045 0.000 2.249 104 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 104 L C 2.710 179.582 176.870 0.003 0.000 1.090 104 L CA 0.558 55.404 54.840 0.010 0.000 0.802 104 L CB -0.293 41.758 42.059 -0.013 0.000 0.947 104 L HN 0.162 nan 8.230 nan 0.000 0.453 105 R N 0.328 120.831 120.500 0.005 0.000 2.073 105 R HA -0.094 4.245 4.340 -0.000 0.000 0.229 105 R C 2.008 178.318 176.300 0.017 0.000 1.120 105 R CA 0.956 57.055 56.100 -0.001 0.000 0.967 105 R CB 0.183 30.477 30.300 -0.011 0.000 0.862 105 R HN 0.100 nan 8.270 nan 0.000 0.436 106 K N -0.070 120.357 120.400 0.045 0.000 2.366 106 K HA 0.018 4.338 4.320 -0.000 0.000 0.198 106 K C 1.658 178.324 176.600 0.110 0.000 1.044 106 K CA 0.878 57.211 56.287 0.077 0.000 0.973 106 K CB 0.286 32.841 32.500 0.092 0.000 0.767 106 K HN 0.212 nan 8.250 nan 0.000 0.475 107 A N 1.868 124.739 122.820 0.084 0.000 1.903 107 A HA -0.144 4.176 4.320 -0.000 0.000 0.213 107 A C 2.011 179.584 177.584 -0.018 0.000 1.185 107 A CA 1.159 53.201 52.037 0.009 0.000 0.628 107 A CB -0.256 18.691 19.000 -0.090 0.000 0.830 107 A HN 0.451 nan 8.150 nan 0.000 0.446 108 E N 0.207 120.396 120.200 -0.017 0.000 2.347 108 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 108 E C 1.403 177.996 176.600 -0.012 0.000 1.008 108 E CA 1.118 57.504 56.400 -0.025 0.000 0.852 108 E CB -0.299 29.383 29.700 -0.030 0.000 0.783 108 E HN 0.712 nan 8.360 nan 0.000 0.505 109 E N 0.758 120.960 120.200 0.003 0.000 2.150 109 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 109 E C 1.991 178.599 176.600 0.013 0.000 0.985 109 E CA 0.867 57.272 56.400 0.009 0.000 0.814 109 E CB 0.015 29.725 29.700 0.018 0.000 0.752 109 E HN 0.370 nan 8.360 nan 0.000 0.466 110 L N 0.275 121.509 121.223 0.018 0.000 2.209 110 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 110 L C 2.202 179.071 176.870 -0.001 0.000 1.094 110 L CA 0.392 55.244 54.840 0.019 0.000 0.790 110 L CB -0.085 41.997 42.059 0.037 0.000 0.932 110 L HN 0.118 nan 8.230 nan 0.000 0.447 111 L N -0.383 120.829 121.223 -0.019 0.000 2.156 111 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 111 L C 1.688 178.544 176.870 -0.023 0.000 1.095 111 L CA 0.919 55.737 54.840 -0.035 0.000 0.770 111 L CB -0.398 41.629 42.059 -0.053 0.000 0.914 111 L HN 0.217 nan 8.230 nan 0.000 0.439 112 D N -0.538 119.854 120.400 -0.014 0.000 2.317 112 D HA -0.124 4.516 4.640 -0.000 0.000 0.211 112 D C 1.680 177.978 176.300 -0.002 0.000 0.966 112 D CA 0.768 54.763 54.000 -0.009 0.000 0.876 112 D CB 0.077 40.872 40.800 -0.008 0.000 0.927 112 D HN 0.325 nan 8.370 nan 0.000 0.519 113 Q N 0.138 119.940 119.800 0.002 0.000 2.246 113 Q HA 0.122 4.462 4.340 -0.000 0.000 0.202 113 Q C -0.229 175.779 176.000 0.012 0.000 0.883 113 Q CA -0.169 55.639 55.803 0.008 0.000 0.952 113 Q CB 0.336 29.081 28.738 0.012 0.000 1.078 113 Q HN 0.111 nan 8.270 nan 0.000 0.493 114 N N -0.264 118.441 118.700 0.009 0.000 2.741 114 N HA -0.144 4.596 4.740 -0.000 0.000 0.250 114 N C -0.978 174.552 175.510 0.034 0.000 1.115 114 N CA 0.524 53.584 53.050 0.017 0.000 0.724 114 N CB -1.479 37.021 38.487 0.022 0.000 1.090 114 N HN 0.046 nan 8.380 nan 0.000 0.558 115 V N 1.692 121.622 119.914 0.027 0.000 2.455 115 V HA 0.052 4.172 4.120 -0.000 0.000 0.273 115 V C 1.136 177.259 176.094 0.048 0.000 1.045 115 V CA -0.508 61.819 62.300 0.046 0.000 0.976 115 V CB 1.090 32.935 31.823 0.038 0.000 0.993 115 V HN 0.253 nan 8.190 nan 0.000 0.475 116 H N 8.000 127.067 119.070 -0.005 0.000 2.928 116 H HA 0.060 4.616 4.556 -0.000 0.000 0.338 116 H C -1.636 173.681 175.328 -0.019 0.000 1.047 116 H CA -1.164 54.878 56.048 -0.010 0.000 1.435 116 H CB 1.797 31.555 29.762 -0.007 0.000 1.428 116 H HN 0.397 nan 8.280 nan 0.000 0.590 117 P HA -0.155 nan 4.420 nan 0.000 0.218 117 P C 1.396 178.683 177.300 -0.022 0.000 1.146 117 P CA 2.078 65.074 63.100 -0.174 0.000 0.813 117 P CB 0.078 31.623 31.700 -0.258 0.000 0.778 118 T N -3.859 110.800 114.554 0.175 0.000 2.985 118 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 118 T C 1.662 176.428 174.700 0.110 0.000 1.076 118 T CA 0.664 62.864 62.100 0.167 0.000 1.135 118 T CB -0.787 68.214 68.868 0.221 0.000 0.890 118 T HN -0.071 nan 8.240 nan 0.000 0.480 119 I N 1.393 122.039 120.570 0.127 0.000 2.500 119 I HA 0.012 4.182 4.170 -0.000 0.000 0.252 119 I C 2.555 178.713 176.117 0.069 0.000 1.142 119 I CA 0.495 61.843 61.300 0.080 0.000 1.451 119 I CB -1.188 36.860 38.000 0.080 0.000 1.093 119 I HN 0.187 nan 8.210 nan 0.000 0.430 120 V N 0.438 120.375 119.914 0.039 0.000 2.307 120 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 120 V C 2.566 178.653 176.094 -0.011 0.000 1.045 120 V CA 1.201 63.499 62.300 -0.005 0.000 1.024 120 V CB -0.530 31.208 31.823 -0.140 0.000 0.651 120 V HN 0.248 nan 8.190 nan 0.000 0.449 121 V N -0.298 119.597 119.914 -0.032 0.000 2.759 121 V HA -0.185 3.935 4.120 -0.000 0.000 0.256 121 V C 2.411 178.547 176.094 0.070 0.000 1.080 121 V CA 2.071 64.376 62.300 0.008 0.000 1.101 121 V CB -0.317 31.502 31.823 -0.006 0.000 0.698 121 V HN 0.547 nan 8.190 nan 0.000 0.477 122 K N -0.476 119.964 120.400 0.066 0.000 2.103 122 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 122 K C 1.980 178.618 176.600 0.064 0.000 1.052 122 K CA 1.328 57.649 56.287 0.056 0.000 0.945 122 K CB -0.358 32.169 32.500 0.044 0.000 0.722 122 K HN 0.541 nan 8.250 nan 0.000 0.443 123 G N -0.840 108.024 108.800 0.107 0.000 2.453 123 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.215 123 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.215 123 G C 1.177 176.117 174.900 0.067 0.000 1.147 123 G CA 0.199 45.358 45.100 0.097 0.000 0.802 123 G HN 0.270 nan 8.290 nan 0.000 0.535 124 Y N 0.300 120.566 120.300 -0.056 0.000 2.242 124 Y HA -0.121 4.429 4.550 -0.000 0.000 0.291 124 Y C 3.105 178.828 175.900 -0.294 0.000 1.137 124 Y CA 1.561 59.592 58.100 -0.116 0.000 1.181 124 Y CB 0.169 38.708 38.460 0.132 0.000 0.989 124 Y HN 0.208 nan 8.280 nan 0.000 0.527 125 Q N -0.153 119.656 119.800 0.015 0.000 2.083 125 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 125 Q C 2.369 178.305 176.000 -0.106 0.000 0.969 125 Q CA 1.060 56.841 55.803 -0.036 0.000 0.838 125 Q CB -0.129 28.621 28.738 0.020 0.000 0.900 125 Q HN 0.477 nan 8.270 nan 0.000 0.436 126 A N 0.527 123.301 122.820 -0.077 0.000 1.969 126 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 126 A C 2.151 179.692 177.584 -0.072 0.000 1.169 126 A CA 1.477 53.496 52.037 -0.030 0.000 0.635 126 A CB -0.565 18.456 19.000 0.037 0.000 0.810 126 A HN 0.494 nan 8.150 nan 0.000 0.445 127 A N -0.319 122.342 122.820 -0.264 0.000 1.930 127 A HA 0.316 4.636 4.320 -0.000 0.000 0.215 127 A C 2.414 179.661 177.584 -0.561 0.000 1.176 127 A CA 1.570 53.352 52.037 -0.424 0.000 0.632 127 A CB -0.786 17.768 19.000 -0.743 0.000 0.819 127 A HN 0.943 nan 8.150 nan 0.000 0.445 128 A N -0.884 121.529 122.820 -0.678 0.000 2.014 128 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 128 A C 2.103 179.602 177.584 -0.141 0.000 1.163 128 A CA 1.575 53.436 52.037 -0.292 0.000 0.652 128 A CB -0.437 18.487 19.000 -0.128 0.000 0.808 128 A HN 0.626 nan 8.150 nan 0.000 0.449 129 Q N -0.827 118.882 119.800 -0.151 0.000 2.172 129 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 129 Q C 1.956 177.871 176.000 -0.141 0.000 0.964 129 Q CA 1.662 57.404 55.803 -0.102 0.000 0.855 129 Q CB -0.000 28.697 28.738 -0.068 0.000 0.918 129 Q HN 0.478 nan 8.270 nan 0.000 0.444 130 K N -0.159 120.101 120.400 -0.234 0.000 2.186 130 K HA 0.087 4.407 4.320 -0.000 0.000 0.202 130 K C 1.635 178.079 176.600 -0.259 0.000 1.052 130 K CA 1.031 57.098 56.287 -0.367 0.000 0.965 130 K CB -0.207 31.775 32.500 -0.862 0.000 0.746 130 K HN 0.211 nan 8.250 nan 0.000 0.457 131 A N 0.658 123.372 122.820 -0.176 0.000 1.933 131 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 131 A C 1.943 179.498 177.584 -0.048 0.000 1.175 131 A CA 1.349 53.344 52.037 -0.070 0.000 0.628 131 A CB -0.448 18.578 19.000 0.042 0.000 0.814 131 A HN 0.325 nan 8.150 nan 0.000 0.444 132 Q N -0.104 119.665 119.800 -0.051 0.000 2.172 132 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 132 Q C 1.210 177.183 176.000 -0.045 0.000 0.964 132 Q CA 1.496 57.279 55.803 -0.034 0.000 0.855 132 Q CB -0.245 28.478 28.738 -0.025 0.000 0.918 132 Q HN 1.012 nan 8.270 nan 0.000 0.444 133 E N -0.394 119.762 120.200 -0.073 0.000 2.349 133 E HA 0.149 4.499 4.350 -0.000 0.000 0.201 133 E C 0.929 177.480 176.600 -0.081 0.000 1.087 133 E CA -0.026 56.331 56.400 -0.071 0.000 1.128 133 E CB 0.088 29.742 29.700 -0.076 0.000 1.188 133 E HN 0.181 nan 8.360 nan 0.000 0.445 134 L N -0.528 120.653 121.223 -0.071 0.000 3.066 134 L HA 0.189 4.529 4.340 -0.000 0.000 0.272 134 L C 1.719 178.571 176.870 -0.029 0.000 1.101 134 L CA -0.043 54.762 54.840 -0.058 0.000 1.022 134 L CB 0.324 42.335 42.059 -0.080 0.000 1.600 134 L HN 0.211 nan 8.230 nan 0.000 0.559 135 L N 0.155 121.364 121.223 -0.024 0.000 2.376 135 L HA -0.102 4.238 4.340 -0.000 0.000 0.219 135 L C 2.196 179.062 176.870 -0.007 0.000 1.133 135 L CA 1.099 55.933 54.840 -0.009 0.000 0.816 135 L CB -0.181 41.874 42.059 -0.006 0.000 0.933 135 L HN 0.180 nan 8.230 nan 0.000 0.449 136 K N -0.542 119.851 120.400 -0.013 0.000 2.148 136 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 136 K C 2.103 178.699 176.600 -0.006 0.000 1.050 136 K CA 1.810 58.091 56.287 -0.009 0.000 0.942 136 K CB -0.159 32.333 32.500 -0.013 0.000 0.724 136 K HN 0.440 nan 8.250 nan 0.000 0.446 137 T N 0.551 115.101 114.554 -0.007 0.000 2.851 137 T HA -0.061 4.289 4.350 -0.000 0.000 0.262 137 T C 1.993 176.695 174.700 0.003 0.000 1.043 137 T CA 0.928 63.026 62.100 -0.003 0.000 1.140 137 T CB -0.556 68.310 68.868 -0.003 0.000 0.872 137 T HN 0.362 nan 8.240 nan 0.000 0.446 138 I N 0.304 120.877 120.570 0.006 0.000 3.444 138 I HA 0.429 4.599 4.170 -0.000 0.000 0.287 138 I C 1.068 177.192 176.117 0.012 0.000 1.302 138 I CA -0.487 60.821 61.300 0.014 0.000 1.368 138 I CB -0.625 37.390 38.000 0.025 0.000 1.048 138 I HN 0.143 nan 8.210 nan 0.000 0.487 139 A N 1.072 123.896 122.820 0.007 0.000 2.366 139 A HA 0.478 4.798 4.320 -0.000 0.000 0.272 139 A C -0.051 177.536 177.584 0.005 0.000 1.135 139 A CA -0.399 51.642 52.037 0.006 0.000 0.804 139 A CB 0.104 19.106 19.000 0.004 0.000 1.064 139 A HN 0.502 nan 8.150 nan 0.000 0.499 140 C N 2.486 121.789 119.300 0.006 0.000 2.388 140 C HA 0.440 4.900 4.460 -0.000 0.000 0.362 140 C C 0.322 175.314 174.990 0.003 0.000 1.266 140 C CA -0.760 58.261 59.018 0.004 0.000 2.028 140 C CB 0.187 27.930 27.740 0.005 0.000 2.440 140 C HN 0.783 nan 8.230 nan 0.000 0.547 141 E N 1.833 122.034 120.200 0.002 0.000 2.223 141 E HA 0.223 4.573 4.350 -0.000 0.000 0.282 141 E C -0.734 175.867 176.600 0.002 0.000 1.046 141 E CA -0.020 56.381 56.400 0.002 0.000 0.857 141 E CB 1.213 30.914 29.700 0.001 0.000 1.055 141 E HN 0.430 nan 8.360 nan 0.000 0.409 142 V N 3.092 123.007 119.914 0.002 0.000 2.235 142 V HA 0.203 4.323 4.120 -0.000 0.000 0.266 142 V C 0.760 176.855 176.094 0.002 0.000 1.055 142 V CA -0.710 61.591 62.300 0.002 0.000 0.844 142 V CB 0.886 32.710 31.823 0.003 0.000 1.097 142 V HN 0.825 nan 8.190 nan 0.000 0.453 143 G N 3.409 112.210 108.800 0.002 0.000 2.764 143 G HA2 0.013 3.973 3.960 -0.000 0.000 0.264 143 G HA3 0.013 3.973 3.960 -0.000 0.000 0.264 143 G C 1.174 176.075 174.900 0.002 0.000 0.517 143 G CA 0.388 45.489 45.100 0.002 0.000 1.109 143 G HN 1.048 nan 8.290 nan 0.000 0.249 144 A N 2.071 124.892 122.820 0.002 0.000 2.015 144 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 144 A C 1.980 179.565 177.584 0.002 0.000 1.163 144 A CA 1.749 53.787 52.037 0.002 0.000 0.646 144 A CB 0.038 19.039 19.000 0.002 0.000 0.806 144 A HN 0.726 nan 8.150 nan 0.000 0.448 145 Q N -0.531 119.270 119.800 0.002 0.000 2.157 145 Q HA 0.076 4.416 4.340 -0.000 0.000 0.229 145 Q C -0.862 175.140 176.000 0.003 0.000 0.827 145 Q CA -0.314 55.491 55.803 0.003 0.000 1.055 145 Q CB 0.549 29.289 28.738 0.004 0.000 1.157 145 Q HN 0.393 nan 8.270 nan 0.000 0.482 146 D N 1.368 121.769 120.400 0.002 0.000 2.498 146 D HA 0.026 4.666 4.640 -0.000 0.000 0.229 146 D C 0.541 176.842 176.300 0.002 0.000 1.188 146 D CA 0.267 54.268 54.000 0.002 0.000 1.028 146 D CB 0.533 41.334 40.800 0.002 0.000 1.087 146 D HN 0.114 nan 8.370 nan 0.000 0.510 147 K N 1.490 121.891 120.400 0.002 0.000 2.211 147 K HA -0.158 4.162 4.320 -0.000 0.000 0.203 147 K C 1.783 178.383 176.600 0.001 0.000 1.050 147 K CA 0.863 57.151 56.287 0.001 0.000 0.945 147 K CB 0.278 32.779 32.500 0.002 0.000 0.732 147 K HN 0.514 nan 8.250 nan 0.000 0.451 148 E N 0.867 121.068 120.200 0.001 0.000 2.152 148 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 148 E C 1.751 178.351 176.600 0.000 0.000 0.983 148 E CA 0.958 57.358 56.400 -0.000 0.000 0.818 148 E CB -0.222 29.478 29.700 -0.000 0.000 0.758 148 E HN 0.273 nan 8.360 nan 0.000 0.467 149 I N 0.786 121.356 120.570 0.001 0.000 2.480 149 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 149 I C 2.311 178.429 176.117 0.002 0.000 1.124 149 I CA 0.465 61.766 61.300 0.001 0.000 1.444 149 I CB -0.101 37.900 38.000 0.002 0.000 1.098 149 I HN 0.079 nan 8.210 nan 0.000 0.428 150 L N 0.375 121.599 121.223 0.001 0.000 2.131 150 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 150 L C 2.550 179.421 176.870 0.001 0.000 1.092 150 L CA 1.397 56.238 54.840 0.001 0.000 0.759 150 L CB -0.867 41.193 42.059 0.001 0.000 0.903 150 L HN 0.265 nan 8.230 nan 0.000 0.435 151 T N -0.736 113.818 114.554 0.000 0.000 2.821 151 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 151 T C 1.898 176.598 174.700 -0.000 0.000 1.046 151 T CA 1.099 63.199 62.100 -0.000 0.000 1.139 151 T CB -0.039 68.828 68.868 -0.001 0.000 0.871 151 T HN 0.300 nan 8.240 nan 0.000 0.454 152 K N 0.627 121.028 120.400 0.000 0.000 2.097 152 K HA 0.072 4.392 4.320 -0.000 0.000 0.205 152 K C 2.170 178.773 176.600 0.004 0.000 1.050 152 K CA 1.014 57.302 56.287 0.002 0.000 0.938 152 K CB -0.289 32.212 32.500 0.002 0.000 0.718 152 K HN 0.316 nan 8.250 nan 0.000 0.442 153 I N 1.039 121.611 120.570 0.004 0.000 2.226 153 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 153 I C 2.480 178.600 176.117 0.006 0.000 1.100 153 I CA 1.122 62.425 61.300 0.006 0.000 1.374 153 I CB -0.326 37.677 38.000 0.005 0.000 1.057 153 I HN 0.127 nan 8.210 nan 0.000 0.413 154 A N 0.142 122.964 122.820 0.004 0.000 1.930 154 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 154 A C 2.289 179.875 177.584 0.004 0.000 1.175 154 A CA 1.650 53.689 52.037 0.003 0.000 0.627 154 A CB -0.549 18.452 19.000 0.002 0.000 0.815 154 A HN 0.369 nan 8.150 nan 0.000 0.443 155 M N -0.183 119.419 119.600 0.003 0.000 2.175 155 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 155 M C 1.918 178.222 176.300 0.007 0.000 1.063 155 M CA 2.160 57.461 55.300 0.001 0.000 1.119 155 M CB -0.451 32.148 32.600 -0.003 0.000 1.377 155 M HN 0.368 nan 8.290 nan 0.000 0.415 156 T N -1.174 113.387 114.554 0.011 0.000 2.915 156 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 156 T C 1.943 176.655 174.700 0.020 0.000 1.071 156 T CA 1.488 63.599 62.100 0.018 0.000 1.132 156 T CB -0.319 68.561 68.868 0.019 0.000 0.878 156 T HN 0.451 nan 8.240 nan 0.000 0.479 157 S N 0.597 116.305 115.700 0.014 0.000 2.377 157 S HA 0.057 4.527 4.470 -0.000 0.000 0.223 157 S C 1.976 176.585 174.600 0.015 0.000 1.030 157 S CA 0.433 58.641 58.200 0.013 0.000 0.970 157 S CB -0.349 62.857 63.200 0.009 0.000 0.830 157 S HN 0.467 nan 8.310 nan 0.000 0.473 158 I N 1.280 121.858 120.570 0.013 0.000 2.315 158 I HA -0.069 4.101 4.170 -0.000 0.000 0.248 158 I C 0.825 176.954 176.117 0.019 0.000 1.117 158 I CA 0.565 61.872 61.300 0.013 0.000 1.404 158 I CB -0.751 37.253 38.000 0.007 0.000 1.071 158 I HN 0.185 nan 8.210 nan 0.000 0.419 159 T N 0.964 115.532 114.554 0.023 0.000 2.930 159 T HA 0.359 4.709 4.350 -0.000 0.000 0.306 159 T C 1.049 175.780 174.700 0.051 0.000 1.045 159 T CA 0.605 62.729 62.100 0.041 0.000 1.134 159 T CB 1.239 70.133 68.868 0.044 0.000 0.961 159 T HN 0.637 nan 8.240 nan 0.000 0.545 160 G N 2.430 111.271 108.800 0.068 0.000 2.376 160 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.208 160 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.208 160 G C 0.928 175.854 174.900 0.042 0.000 1.032 160 G CA 0.120 45.253 45.100 0.054 0.000 0.641 160 G HN 0.618 nan 8.290 nan 0.000 0.503 161 K N 0.715 121.137 120.400 0.036 0.000 2.356 161 K HA 0.472 4.792 4.320 -0.000 0.000 0.195 161 K C 0.914 177.535 176.600 0.034 0.000 1.037 161 K CA 0.764 57.068 56.287 0.029 0.000 1.014 161 K CB 0.831 33.344 32.500 0.022 0.000 0.815 161 K HN 1.037 nan 8.250 nan 0.000 0.507 162 G N -0.282 108.544 108.800 0.043 0.000 2.270 162 G HA2 0.301 4.261 3.960 -0.000 0.000 0.295 162 G HA3 0.301 4.261 3.960 -0.000 0.000 0.295 162 G C -0.151 174.771 174.900 0.037 0.000 1.732 162 G CA -0.314 44.812 45.100 0.044 0.000 0.909 162 G HN -0.033 nan 8.290 nan 0.000 0.730 163 A N 1.174 124.017 122.820 0.039 0.000 1.968 163 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 163 A C 2.091 179.661 177.584 -0.024 0.000 1.169 163 A CA 2.000 54.030 52.037 -0.011 0.000 0.638 163 A CB -0.182 18.783 19.000 -0.057 0.000 0.812 163 A HN 0.907 nan 8.150 nan 0.000 0.446 164 E N 1.097 121.293 120.200 -0.005 0.000 2.208 164 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 164 E C 1.415 178.013 176.600 -0.003 0.000 0.988 164 E CA 1.316 57.712 56.400 -0.007 0.000 0.828 164 E CB -0.400 29.301 29.700 0.002 0.000 0.763 164 E HN 0.627 nan 8.360 nan 0.000 0.478 165 K N 0.831 121.233 120.400 0.003 0.000 2.155 165 K HA 0.119 4.439 4.320 -0.000 0.000 0.203 165 K C 0.973 177.572 176.600 -0.001 0.000 1.052 165 K CA 0.850 57.140 56.287 0.004 0.000 0.948 165 K CB 0.069 32.576 32.500 0.011 0.000 0.728 165 K HN 0.115 nan 8.250 nan 0.000 0.448 166 A N 2.697 125.513 122.820 -0.006 0.000 2.805 166 A HA 0.099 4.419 4.320 -0.000 0.000 0.301 166 A C -0.389 177.182 177.584 -0.021 0.000 1.557 166 A CA -0.008 52.021 52.037 -0.013 0.000 1.254 166 A CB -0.277 18.713 19.000 -0.017 0.000 1.114 166 A HN 0.070 nan 8.150 nan 0.000 0.553 167 K N 1.300 121.691 120.400 -0.014 0.000 2.207 167 K HA 0.260 4.580 4.320 -0.000 0.000 0.255 167 K C 0.503 177.095 176.600 -0.013 0.000 0.941 167 K CA -0.724 55.553 56.287 -0.016 0.000 0.825 167 K CB 0.959 33.452 32.500 -0.011 0.000 1.119 167 K HN 0.541 nan 8.250 nan 0.000 0.430 168 E N 2.201 122.392 120.200 -0.015 0.000 2.114 168 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 168 E C 0.861 177.456 176.600 -0.008 0.000 1.008 168 E CA 1.776 58.169 56.400 -0.012 0.000 0.810 168 E CB 0.226 29.918 29.700 -0.013 0.000 0.739 168 E HN 0.512 nan 8.360 nan 0.000 0.456 169 K N 0.074 120.470 120.400 -0.006 0.000 2.217 169 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 169 K C 2.196 178.795 176.600 -0.002 0.000 1.051 169 K CA 0.350 56.635 56.287 -0.004 0.000 0.952 169 K CB -0.086 32.412 32.500 -0.003 0.000 0.736 169 K HN 0.010 nan 8.250 nan 0.000 0.453 170 L N 0.984 122.206 121.223 -0.002 0.000 2.056 170 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 170 L C 2.178 179.047 176.870 -0.000 0.000 1.078 170 L CA 1.498 56.338 54.840 -0.000 0.000 0.749 170 L CB -0.418 41.640 42.059 -0.000 0.000 0.901 170 L HN 0.082 nan 8.230 nan 0.000 0.433 171 A N -1.101 121.718 122.820 -0.002 0.000 2.015 171 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 171 A C 2.122 179.706 177.584 -0.001 0.000 1.163 171 A CA 1.461 53.497 52.037 -0.001 0.000 0.646 171 A CB -0.499 18.499 19.000 -0.003 0.000 0.806 171 A HN 0.586 nan 8.150 nan 0.000 0.448 172 E N -0.371 119.828 120.200 -0.001 0.000 2.208 172 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 172 E C 1.685 178.285 176.600 0.000 0.000 0.988 172 E CA 0.902 57.302 56.400 -0.001 0.000 0.828 172 E CB -0.198 29.502 29.700 -0.001 0.000 0.763 172 E HN 0.715 nan 8.360 nan 0.000 0.478 173 I N 0.735 121.305 120.570 0.001 0.000 2.286 173 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 173 I C 2.201 178.319 176.117 0.001 0.000 1.104 173 I CA 0.884 62.185 61.300 0.002 0.000 1.397 173 I CB -0.104 37.898 38.000 0.003 0.000 1.072 173 I HN 0.071 nan 8.210 nan 0.000 0.417 174 I N -0.010 120.561 120.570 0.001 0.000 2.226 174 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 174 I C 2.491 178.607 176.117 -0.002 0.000 1.100 174 I CA 1.098 62.398 61.300 -0.000 0.000 1.374 174 I CB -0.421 37.579 38.000 -0.000 0.000 1.057 174 I HN -0.003 nan 8.210 nan 0.000 0.413 175 V N 0.639 120.552 119.914 -0.001 0.000 2.392 175 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 175 V C 2.472 178.564 176.094 -0.003 0.000 1.059 175 V CA 2.088 64.387 62.300 -0.002 0.000 1.051 175 V CB -0.681 31.141 31.823 -0.001 0.000 0.658 175 V HN 0.477 nan 8.190 nan 0.000 0.455 176 E N -0.056 120.143 120.200 -0.002 0.000 2.153 176 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 176 E C 2.218 178.814 176.600 -0.007 0.000 0.988 176 E CA 1.175 57.573 56.400 -0.003 0.000 0.811 176 E CB -0.145 29.555 29.700 -0.001 0.000 0.746 176 E HN 0.607 nan 8.360 nan 0.000 0.466 177 A N 0.113 122.928 122.820 -0.007 0.000 1.897 177 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 177 A C 2.301 179.876 177.584 -0.014 0.000 1.181 177 A CA 1.027 53.058 52.037 -0.010 0.000 0.620 177 A CB -0.305 18.691 19.000 -0.006 0.000 0.821 177 A HN 0.189 nan 8.150 nan 0.000 0.443 178 V N -0.121 119.787 119.914 -0.011 0.000 2.453 178 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 178 V C 2.561 178.646 176.094 -0.014 0.000 1.048 178 V CA 2.124 64.417 62.300 -0.011 0.000 1.049 178 V CB -0.735 31.084 31.823 -0.007 0.000 0.672 178 V HN 0.499 nan 8.190 nan 0.000 0.457 179 S N 0.312 116.004 115.700 -0.012 0.000 2.474 179 S HA 0.002 4.472 4.470 -0.000 0.000 0.235 179 S C 2.053 176.640 174.600 -0.022 0.000 0.997 179 S CA 1.115 59.308 58.200 -0.012 0.000 0.949 179 S CB -0.190 63.006 63.200 -0.007 0.000 0.766 179 S HN 0.642 nan 8.310 nan 0.000 0.517 180 A N 1.074 123.875 122.820 -0.031 0.000 1.984 180 A HA 0.111 4.431 4.320 -0.000 0.000 0.214 180 A C 2.030 179.572 177.584 -0.069 0.000 1.173 180 A CA 0.889 52.892 52.037 -0.057 0.000 0.673 180 A CB -0.426 18.539 19.000 -0.058 0.000 0.830 180 A HN 0.499 nan 8.150 nan 0.000 0.453 181 V N -1.997 117.889 119.914 -0.047 0.000 3.646 181 V HA 0.201 4.321 4.120 -0.000 0.000 0.277 181 V C 0.459 176.534 176.094 -0.032 0.000 1.274 181 V CA -0.187 62.087 62.300 -0.042 0.000 1.164 181 V CB -0.980 30.825 31.823 -0.030 0.000 0.926 181 V HN 0.061 nan 8.190 nan 0.000 0.442 182 V N 4.307 124.203 119.914 -0.029 0.000 2.439 182 V HA 0.142 4.262 4.120 -0.000 0.000 0.271 182 V C 0.287 176.370 176.094 -0.017 0.000 1.040 182 V CA -0.284 62.005 62.300 -0.018 0.000 1.002 182 V CB 0.385 32.201 31.823 -0.012 0.000 1.000 182 V HN 0.722 nan 8.190 nan 0.000 0.477 183 D N 4.269 124.662 120.400 -0.011 0.000 2.352 183 D HA 0.081 4.721 4.640 -0.000 0.000 0.245 183 D C -0.437 175.863 176.300 0.001 0.000 1.224 183 D CA -0.568 53.429 54.000 -0.005 0.000 0.879 183 D CB 0.896 41.694 40.800 -0.004 0.000 1.057 183 D HN 0.393 nan 8.370 nan 0.000 0.491 184 D N 2.790 123.194 120.400 0.006 0.000 2.383 184 D HA 0.135 4.775 4.640 -0.000 0.000 0.252 184 D C 0.076 176.382 176.300 0.010 0.000 1.166 184 D CA 0.382 54.388 54.000 0.010 0.000 0.879 184 D CB 1.180 41.990 40.800 0.016 0.000 1.164 184 D HN 0.468 nan 8.370 nan 0.000 0.462 185 E N 0.178 120.383 120.200 0.008 0.000 2.234 185 E HA 0.609 4.959 4.350 -0.000 0.000 0.266 185 E C 0.056 176.659 176.600 0.004 0.000 0.877 185 E CA -0.894 55.510 56.400 0.006 0.000 0.758 185 E CB 2.195 31.899 29.700 0.006 0.000 1.170 185 E HN 0.506 nan 8.360 nan 0.000 0.415 186 G N 2.956 111.757 108.800 0.003 0.000 5.569 186 G HA2 0.028 3.988 3.960 -0.000 0.000 0.192 186 G HA3 0.028 3.988 3.960 -0.000 0.000 0.192 186 G C -0.157 174.743 174.900 -0.000 0.000 0.708 186 G CA -0.453 44.648 45.100 0.002 0.000 0.628 186 G HN 0.075 nan 8.290 nan 0.000 0.345 187 K N 0.097 120.496 120.400 -0.001 0.000 2.102 187 K HA 0.610 4.930 4.320 -0.000 0.000 0.244 187 K C -0.201 176.396 176.600 -0.004 0.000 1.021 187 K CA -0.490 55.796 56.287 -0.002 0.000 0.913 187 K CB 2.173 34.672 32.500 -0.002 0.000 1.062 187 K HN 0.003 nan 8.250 nan 0.000 0.485 188 V N 1.574 121.485 119.914 -0.005 0.000 2.378 188 V HA 0.080 4.200 4.120 -0.000 0.000 0.288 188 V C -0.545 175.545 176.094 -0.007 0.000 1.016 188 V CA -0.914 61.382 62.300 -0.007 0.000 0.840 188 V CB 1.457 33.276 31.823 -0.006 0.000 0.994 188 V HN 0.620 nan 8.190 nan 0.000 0.431 189 D N 3.479 123.873 120.400 -0.009 0.000 2.317 189 D HA 0.350 4.990 4.640 -0.000 0.000 0.234 189 D C 0.793 177.087 176.300 -0.010 0.000 1.112 189 D CA -0.408 53.586 54.000 -0.009 0.000 0.840 189 D CB 1.760 42.554 40.800 -0.009 0.000 1.078 189 D HN 0.334 nan 8.370 nan 0.000 0.486 190 K N 1.636 122.030 120.400 -0.010 0.000 2.365 190 K HA 0.011 4.331 4.320 -0.000 0.000 0.199 190 K C 0.850 177.442 176.600 -0.013 0.000 1.045 190 K CA 0.632 56.913 56.287 -0.010 0.000 0.962 190 K CB 0.284 32.779 32.500 -0.009 0.000 0.759 190 K HN 0.405 nan 8.250 nan 0.000 0.469 191 D N 0.250 120.641 120.400 -0.014 0.000 2.317 191 D HA -0.044 4.595 4.640 -0.000 0.000 0.211 191 D C 1.449 177.739 176.300 -0.017 0.000 0.966 191 D CA 0.644 54.634 54.000 -0.016 0.000 0.876 191 D CB 0.146 40.937 40.800 -0.016 0.000 0.927 191 D HN 0.170 nan 8.370 nan 0.000 0.519 192 L N 0.362 121.576 121.223 -0.015 0.000 2.291 192 L HA 0.012 4.352 4.340 -0.000 0.000 0.214 192 L C 0.923 177.783 176.870 -0.016 0.000 1.120 192 L CA 0.464 55.294 54.840 -0.016 0.000 0.799 192 L CB -0.034 42.015 42.059 -0.017 0.000 0.925 192 L HN -0.107 nan 8.230 nan 0.000 0.446 193 I N 0.566 121.127 120.570 -0.015 0.000 2.312 193 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 193 I C 0.038 176.145 176.117 -0.016 0.000 1.031 193 I CA -0.238 61.053 61.300 -0.014 0.000 1.293 193 I CB 0.761 38.753 38.000 -0.012 0.000 1.403 193 I HN -0.096 nan 8.210 nan 0.000 0.484 194 K N 6.629 127.020 120.400 -0.015 0.000 2.205 194 K HA 0.557 4.877 4.320 -0.000 0.000 0.279 194 K C -0.690 175.896 176.600 -0.024 0.000 1.027 194 K CA -0.096 56.178 56.287 -0.023 0.000 0.932 194 K CB 1.158 33.644 32.500 -0.023 0.000 1.032 194 K HN 0.455 nan 8.250 nan 0.000 0.466 195 I N 2.567 123.116 120.570 -0.034 0.000 2.339 195 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 195 I C -0.336 175.750 176.117 -0.052 0.000 0.994 195 I CA -0.702 60.578 61.300 -0.034 0.000 1.191 195 I CB 1.632 39.614 38.000 -0.030 0.000 1.343 195 I HN 0.434 nan 8.210 nan 0.000 0.458 196 E N 5.748 125.919 120.200 -0.048 0.000 2.187 196 E HA 0.411 4.761 4.350 -0.000 0.000 0.268 196 E C -1.112 175.456 176.600 -0.054 0.000 0.896 196 E CA -0.698 55.657 56.400 -0.076 0.000 0.766 196 E CB 1.570 31.216 29.700 -0.090 0.000 1.142 196 E HN 0.269 nan 8.360 nan 0.000 0.408 197 K N 3.409 123.769 120.400 -0.067 0.000 2.404 197 K HA 0.395 4.715 4.320 -0.000 0.000 0.257 197 K C -0.447 176.127 176.600 -0.044 0.000 1.026 197 K CA -0.821 55.438 56.287 -0.048 0.000 0.951 197 K CB 0.928 33.397 32.500 -0.052 0.000 1.203 197 K HN 0.063 nan 8.250 nan 0.000 0.446 198 K N 0.811 121.201 120.400 -0.017 0.000 2.400 198 K HA 0.384 4.704 4.320 -0.000 0.000 0.246 198 K C 0.208 176.815 176.600 0.011 0.000 0.995 198 K CA -0.529 55.760 56.287 0.003 0.000 0.840 198 K CB 1.882 34.407 32.500 0.040 0.000 1.293 198 K HN 0.618 nan 8.250 nan 0.000 0.445 199 S N -0.785 114.926 115.700 0.017 0.000 2.495 199 S HA 0.804 5.274 4.470 -0.000 0.000 0.273 199 S C 0.329 174.943 174.600 0.024 0.000 1.156 199 S CA 0.177 58.386 58.200 0.016 0.000 1.032 199 S CB 0.421 63.628 63.200 0.012 0.000 1.160 199 S HN 0.979 nan 8.310 nan 0.000 0.489 200 G N -0.830 107.983 108.800 0.021 0.000 2.712 200 G HA2 0.439 4.399 3.960 -0.000 0.000 0.686 200 G HA3 0.439 4.399 3.960 -0.000 0.000 0.686 200 G C -0.112 174.798 174.900 0.018 0.000 1.181 200 G CA -0.469 44.644 45.100 0.021 0.000 0.762 200 G HN 1.738 nan 8.290 nan 0.000 0.641 201 A N 1.398 124.227 122.820 0.015 0.000 2.526 201 A HA 0.640 4.960 4.320 -0.000 0.000 0.287 201 A C 1.148 178.739 177.584 0.013 0.000 1.232 201 A CA 1.844 53.889 52.037 0.013 0.000 0.900 201 A CB -0.037 18.970 19.000 0.011 0.000 1.077 201 A HN 2.245 nan 8.150 nan 0.000 0.535 202 S N 1.710 117.419 115.700 0.014 0.000 4.107 202 S HA 0.567 5.037 4.470 -0.000 0.000 0.196 202 S C 1.143 175.751 174.600 0.012 0.000 1.125 202 S CA 0.507 58.715 58.200 0.013 0.000 1.614 202 S CB -0.409 62.801 63.200 0.017 0.000 1.234 202 S HN 1.146 nan 8.310 nan 0.000 0.799 203 I N 0.729 121.306 120.570 0.012 0.000 4.270 203 I HA -0.367 3.803 4.170 -0.000 0.000 0.084 203 I C 0.538 176.660 176.117 0.008 0.000 0.554 203 I CA 2.033 63.339 61.300 0.010 0.000 1.128 203 I CB -1.121 36.885 38.000 0.010 0.000 1.004 203 I HN 0.456 nan 8.210 nan 0.000 0.177 204 D N 0.385 120.790 120.400 0.008 0.000 2.355 204 D HA 0.007 4.647 4.640 -0.000 0.000 0.206 204 D C 1.128 177.432 176.300 0.008 0.000 1.010 204 D CA 0.790 54.794 54.000 0.006 0.000 0.875 204 D CB -0.094 40.709 40.800 0.004 0.000 0.966 204 D HN 0.427 nan 8.370 nan 0.000 0.512 205 D N 0.256 120.662 120.400 0.010 0.000 2.336 205 D HA -0.017 4.623 4.640 -0.000 0.000 0.229 205 D C 0.130 176.439 176.300 0.015 0.000 1.061 205 D CA 0.302 54.309 54.000 0.012 0.000 0.875 205 D CB -0.419 40.389 40.800 0.013 0.000 0.904 205 D HN 0.142 nan 8.370 nan 0.000 0.525 206 T N -0.030 114.532 114.554 0.014 0.000 2.784 206 T HA 0.189 4.539 4.350 -0.000 0.000 0.291 206 T C 0.242 174.952 174.700 0.016 0.000 0.942 206 T CA -0.617 61.493 62.100 0.017 0.000 1.161 206 T CB 0.400 69.276 68.868 0.013 0.000 0.885 206 T HN 0.221 nan 8.240 nan 0.000 0.534 207 E N 3.215 123.428 120.200 0.021 0.000 2.207 207 E HA 0.619 4.969 4.350 -0.000 0.000 0.270 207 E C -0.500 176.112 176.600 0.021 0.000 0.927 207 E CA -1.295 55.116 56.400 0.019 0.000 0.799 207 E CB 1.468 31.180 29.700 0.020 0.000 1.172 207 E HN 0.461 nan 8.360 nan 0.000 0.404 213 L N 4.058 125.162 121.223 -0.198 0.000 2.283 213 L HA 0.645 4.985 4.340 -0.000 0.000 0.281 213 L C -0.351 176.422 176.870 -0.162 0.000 1.033 213 L CA -0.073 54.614 54.840 -0.255 0.000 0.848 213 L CB 1.412 43.251 42.059 -0.367 0.000 1.226 213 L HN 0.565 nan 8.230 nan 0.000 0.429 214 V N 3.356 123.212 119.914 -0.097 0.000 2.461 214 V HA 0.101 4.221 4.120 -0.000 0.000 0.275 214 V C 0.290 176.389 176.094 0.009 0.000 1.047 214 V CA -0.467 61.816 62.300 -0.030 0.000 0.955 214 V CB 1.335 33.196 31.823 0.064 0.000 0.988 214 V HN 0.607 nan 8.190 nan 0.000 0.471 215 D N 5.112 125.511 120.400 -0.002 0.000 2.688 215 D HA 0.226 4.866 4.640 -0.000 0.000 0.228 215 D C 0.089 176.412 176.300 0.038 0.000 1.116 215 D CA 0.470 54.476 54.000 0.010 0.000 1.023 215 D CB -0.184 40.612 40.800 -0.006 0.000 1.100 215 D HN 0.517 nan 8.370 nan 0.000 0.487 216 K N 0.578 121.017 120.400 0.065 0.000 2.556 216 K HA 0.363 4.683 4.320 -0.000 0.000 0.289 216 K C -0.505 176.136 176.600 0.069 0.000 1.040 216 K CA -0.664 55.665 56.287 0.070 0.000 0.894 216 K CB 1.770 34.328 32.500 0.097 0.000 1.547 216 K HN 0.095 nan 8.250 nan 0.000 0.417 217 E N 0.366 120.594 120.200 0.046 0.000 2.573 217 E HA 0.343 4.693 4.350 -0.000 0.000 0.218 217 E C -0.758 175.842 176.600 -0.000 0.000 0.777 217 E CA -0.974 55.445 56.400 0.030 0.000 0.970 217 E CB 1.090 30.804 29.700 0.023 0.000 1.666 217 E HN 0.431 nan 8.360 nan 0.000 0.384 218 R N 0.389 120.881 120.500 -0.013 0.000 2.428 218 R HA 0.315 4.655 4.340 -0.000 0.000 0.294 218 R C 0.609 176.891 176.300 -0.030 0.000 1.000 218 R CA -0.435 55.642 56.100 -0.039 0.000 0.960 218 R CB 1.105 31.382 30.300 -0.039 0.000 1.076 218 R HN 0.312 nan 8.270 nan 0.000 0.475 219 V N 1.231 121.120 119.914 -0.041 0.000 2.626 219 V HA -0.081 4.039 4.120 -0.000 0.000 0.252 219 V C 0.287 176.368 176.094 -0.022 0.000 1.067 219 V CA 1.860 64.143 62.300 -0.027 0.000 1.081 219 V CB 0.182 31.988 31.823 -0.030 0.000 0.686 219 V HN 0.862 nan 8.190 nan 0.000 0.468 220 S N -2.020 113.664 115.700 -0.027 0.000 2.547 220 S HA 0.659 5.129 4.470 -0.000 0.000 0.281 220 S C 0.617 175.204 174.600 -0.022 0.000 1.118 220 S CA -0.120 58.067 58.200 -0.022 0.000 0.947 220 S CB 1.842 65.027 63.200 -0.026 0.000 1.053 220 S HN 0.428 nan 8.310 nan 0.000 0.482 221 A N 3.106 125.917 122.820 -0.016 0.000 2.172 221 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 221 A C 1.813 179.388 177.584 -0.016 0.000 1.154 221 A CA 1.229 53.258 52.037 -0.014 0.000 0.701 221 A CB -0.469 18.526 19.000 -0.009 0.000 0.789 221 A HN 0.878 nan 8.150 nan 0.000 0.465 222 Q N -0.808 118.980 119.800 -0.020 0.000 2.172 222 Q HA 0.024 4.364 4.340 -0.000 0.000 0.200 222 Q C 0.436 176.417 176.000 -0.032 0.000 0.964 222 Q CA 0.335 56.123 55.803 -0.026 0.000 0.855 222 Q CB -0.104 28.615 28.738 -0.032 0.000 0.918 222 Q HN 0.691 nan 8.270 nan 0.000 0.444 223 M N 1.975 121.554 119.600 -0.035 0.000 2.245 223 M HA 0.138 4.618 4.480 -0.000 0.000 0.344 223 M C -2.016 174.266 176.300 -0.030 0.000 1.170 223 M CA -1.644 53.633 55.300 -0.038 0.000 1.135 223 M CB 0.665 33.237 32.600 -0.045 0.000 1.574 223 M HN 0.007 nan 8.290 nan 0.000 0.452 224 P HA 0.162 nan 4.420 nan 0.000 0.288 224 P C -0.224 177.065 177.300 -0.019 0.000 1.291 224 P CA -0.226 62.862 63.100 -0.021 0.000 0.766 224 P CB 0.668 32.356 31.700 -0.019 0.000 1.242 225 K N -1.274 119.119 120.400 -0.013 0.000 2.462 225 K HA 0.169 4.488 4.320 -0.000 0.000 0.201 225 K C 0.134 176.735 176.600 0.002 0.000 1.268 225 K CA 0.233 56.516 56.287 -0.006 0.000 0.933 225 K CB 0.574 33.071 32.500 -0.006 0.000 1.162 225 K HN 0.179 nan 8.250 nan 0.000 0.527 226 K N 1.415 121.815 120.400 0.001 0.000 2.619 226 K HA 0.201 4.521 4.320 -0.000 0.000 0.251 226 K C -1.125 175.480 176.600 0.008 0.000 0.987 226 K CA -0.550 55.743 56.287 0.009 0.000 0.844 226 K CB 1.706 34.208 32.500 0.003 0.000 1.237 226 K HN -0.122 nan 8.250 nan 0.000 0.447 227 V N 0.794 120.717 119.914 0.015 0.000 3.234 227 V HA 0.580 4.700 4.120 -0.000 0.000 0.317 227 V C -0.029 176.077 176.094 0.019 0.000 1.081 227 V CA -0.784 61.524 62.300 0.014 0.000 1.037 227 V CB 1.618 33.450 31.823 0.015 0.000 1.148 227 V HN 0.775 nan 8.190 nan 0.000 0.453 228 T N 1.094 115.658 114.554 0.017 0.000 2.792 228 T HA 0.434 4.784 4.350 -0.000 0.000 0.280 228 T C -0.882 173.830 174.700 0.021 0.000 0.990 228 T CA -0.167 61.945 62.100 0.020 0.000 0.960 228 T CB 0.637 69.514 68.868 0.015 0.000 0.939 228 T HN 0.886 nan 8.240 nan 0.000 0.439 229 D N 0.995 121.410 120.400 0.026 0.000 2.828 229 D HA -0.128 4.511 4.640 -0.000 0.000 0.241 229 D C 0.148 176.464 176.300 0.027 0.000 1.142 229 D CA 0.551 54.567 54.000 0.027 0.000 0.755 229 D CB -1.139 39.674 40.800 0.022 0.000 1.014 229 D HN 0.807 nan 8.370 nan 0.000 0.420 230 A N 0.842 123.682 122.820 0.033 0.000 2.327 230 A HA 0.499 4.819 4.320 -0.000 0.000 0.283 230 A C 0.459 178.067 177.584 0.040 0.000 1.127 230 A CA -0.392 51.666 52.037 0.035 0.000 0.810 230 A CB 0.862 19.888 19.000 0.043 0.000 1.066 230 A HN 0.111 nan 8.150 nan 0.000 0.492 231 K N 1.649 122.069 120.400 0.035 0.000 2.240 231 K HA 0.568 4.888 4.320 -0.000 0.000 0.271 231 K C -1.057 175.572 176.600 0.049 0.000 1.018 231 K CA 0.301 56.610 56.287 0.038 0.000 0.874 231 K CB 1.364 33.880 32.500 0.027 0.000 1.098 231 K HN 0.568 nan 8.250 nan 0.000 0.458 232 I N 2.368 122.979 120.570 0.068 0.000 2.330 232 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 232 I C -0.248 175.925 176.117 0.094 0.000 1.001 232 I CA -0.966 60.398 61.300 0.105 0.000 1.193 232 I CB 1.836 39.940 38.000 0.173 0.000 1.345 232 I HN 0.577 nan 8.210 nan 0.000 0.461 233 A N 7.567 130.439 122.820 0.086 0.000 2.260 233 A HA 0.635 4.955 4.320 -0.000 0.000 0.312 233 A C -0.622 177.024 177.584 0.104 0.000 1.321 233 A CA -0.422 51.658 52.037 0.073 0.000 0.928 233 A CB 0.169 19.196 19.000 0.046 0.000 1.158 233 A HN 0.609 nan 8.150 nan 0.000 0.542 234 L N 3.603 124.883 121.223 0.095 0.000 2.268 234 L HA 0.331 4.671 4.340 -0.000 0.000 0.289 234 L C -0.250 176.662 176.870 0.070 0.000 1.064 234 L CA 0.604 55.505 54.840 0.102 0.000 0.824 234 L CB 0.608 42.705 42.059 0.063 0.000 1.202 234 L HN 0.599 nan 8.230 nan 0.000 0.433 235 L N 3.327 124.596 121.223 0.077 0.000 2.296 235 L HA 0.383 4.723 4.340 -0.000 0.000 0.286 235 L C 0.975 177.875 176.870 0.049 0.000 1.023 235 L CA -0.403 54.469 54.840 0.053 0.000 0.812 235 L CB 1.518 43.604 42.059 0.045 0.000 1.223 235 L HN 0.517 nan 8.230 nan 0.000 0.421 236 N N 0.978 119.699 118.700 0.035 0.000 2.402 236 N HA -0.034 4.706 4.740 -0.000 0.000 0.174 236 N C 0.398 175.923 175.510 0.026 0.000 1.027 236 N CA 0.127 53.194 53.050 0.029 0.000 0.891 236 N CB 0.300 38.799 38.487 0.020 0.000 1.016 236 N HN 0.584 nan 8.380 nan 0.000 0.439 237 C N 1.249 120.563 119.300 0.024 0.000 2.604 237 C HA 0.718 5.178 4.460 -0.000 0.000 0.396 237 C C 0.627 175.631 174.990 0.024 0.000 1.282 237 C CA -0.846 58.185 59.018 0.021 0.000 2.292 237 C CB -0.700 27.051 27.740 0.019 0.000 2.633 237 C HN 0.489 nan 8.230 nan 0.000 0.620 238 A N 5.000 127.833 122.820 0.022 0.000 2.401 238 A HA 0.531 4.851 4.320 -0.000 0.000 0.259 238 A C 0.126 177.725 177.584 0.024 0.000 1.103 238 A CA -0.328 51.723 52.037 0.023 0.000 0.789 238 A CB 0.018 19.030 19.000 0.020 0.000 1.035 238 A HN 0.842 nan 8.150 nan 0.000 0.491 239 I N 2.421 123.007 120.570 0.026 0.000 2.781 239 I HA 0.136 4.306 4.170 -0.000 0.000 0.303 239 I C 0.520 176.657 176.117 0.034 0.000 1.161 239 I CA 0.266 61.584 61.300 0.030 0.000 1.341 239 I CB -0.643 37.377 38.000 0.032 0.000 1.585 239 I HN 0.691 nan 8.210 nan 0.000 0.567 264 T N -3.960 110.610 114.554 0.027 0.000 2.206 264 T HA 0.748 5.098 4.350 -0.000 0.000 0.168 264 T C 1.094 175.806 174.700 0.020 0.000 0.753 264 T CA 1.708 63.820 62.100 0.020 0.000 1.041 264 T CB 0.523 69.402 68.868 0.018 0.000 2.919 264 T HN 1.995 nan 8.240 nan 0.000 0.392 265 A N 0.004 122.837 122.820 0.022 0.000 2.519 265 A HA 0.663 4.983 4.320 -0.000 0.000 0.236 265 A C 0.515 178.116 177.584 0.028 0.000 0.875 265 A CA 0.212 52.261 52.037 0.020 0.000 1.172 265 A CB 0.193 19.198 19.000 0.008 0.000 1.211 265 A HN 0.550 nan 8.150 nan 0.000 0.454 266 S N 1.755 117.478 115.700 0.038 0.000 2.474 266 S HA 0.315 4.785 4.470 -0.000 0.000 0.224 266 S C 0.283 174.914 174.600 0.052 0.000 1.209 266 S CA 0.404 58.627 58.200 0.038 0.000 1.212 266 S CB -0.697 62.517 63.200 0.023 0.000 1.137 266 S HN 0.828 nan 8.310 nan 0.000 0.446 267 E N 0.694 120.952 120.200 0.097 0.000 2.103 267 E HA -0.249 4.101 4.350 -0.000 0.000 0.186 267 E C 0.138 176.762 176.600 0.039 0.000 1.392 267 E CA 0.760 57.238 56.400 0.130 0.000 0.691 267 E CB -1.688 28.081 29.700 0.115 0.000 1.068 267 E HN 0.691 nan 8.360 nan 0.000 0.328 268 M N 0.311 119.943 119.600 0.052 0.000 2.568 268 M HA 0.079 4.559 4.480 -0.000 0.000 0.226 268 M C 0.444 176.757 176.300 0.021 0.000 1.148 268 M CA 0.140 55.453 55.300 0.022 0.000 1.007 268 M CB 0.250 32.864 32.600 0.025 0.000 1.651 268 M HN 0.236 nan 8.290 nan 0.000 0.488 269 L N -1.023 120.224 121.223 0.041 0.000 2.731 269 L HA 0.150 4.490 4.340 -0.000 0.000 0.240 269 L C 1.781 178.636 176.870 -0.026 0.000 1.120 269 L CA 0.653 55.526 54.840 0.055 0.000 0.913 269 L CB -0.371 41.783 42.059 0.159 0.000 1.213 269 L HN 0.075 nan 8.230 nan 0.000 0.515 270 K N 0.248 120.540 120.400 -0.180 0.000 2.211 270 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 270 K C 1.072 177.584 176.600 -0.147 0.000 1.047 270 K CA 1.363 57.462 56.287 -0.312 0.000 0.935 270 K CB 0.005 32.253 32.500 -0.421 0.000 0.728 270 K HN 0.284 nan 8.250 nan 0.000 0.452 271 D N 0.575 120.923 120.400 -0.086 0.000 2.120 271 D HA -0.071 4.569 4.640 -0.000 0.000 0.202 271 D C 1.837 178.120 176.300 -0.028 0.000 0.972 271 D CA 1.115 55.085 54.000 -0.049 0.000 0.837 271 D CB -0.049 40.731 40.800 -0.033 0.000 0.989 271 D HN 0.122 nan 8.370 nan 0.000 0.469 272 M N 0.153 119.745 119.600 -0.014 0.000 2.159 272 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 272 M C 2.123 178.429 176.300 0.009 0.000 1.063 272 M CA 0.840 56.143 55.300 0.005 0.000 1.110 272 M CB 0.033 32.645 32.600 0.020 0.000 1.374 272 M HN -0.094 nan 8.290 nan 0.000 0.411 273 V N 0.068 119.988 119.914 0.009 0.000 2.379 273 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 273 V C 2.551 178.644 176.094 -0.001 0.000 1.044 273 V CA 1.862 64.173 62.300 0.019 0.000 1.036 273 V CB -1.083 30.770 31.823 0.051 0.000 0.664 273 V HN 0.494 nan 8.190 nan 0.000 0.453 274 A N -0.465 122.342 122.820 -0.022 0.000 2.015 274 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 274 A C 2.138 179.714 177.584 -0.013 0.000 1.163 274 A CA 1.537 53.561 52.037 -0.023 0.000 0.646 274 A CB -0.386 18.591 19.000 -0.038 0.000 0.806 274 A HN 0.605 nan 8.150 nan 0.000 0.448 275 E N -0.386 119.809 120.200 -0.009 0.000 2.150 275 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 275 E C 1.664 178.265 176.600 0.002 0.000 0.985 275 E CA 1.002 57.400 56.400 -0.003 0.000 0.814 275 E CB -0.188 29.511 29.700 -0.001 0.000 0.752 275 E HN 0.732 nan 8.360 nan 0.000 0.466 276 I N 0.826 121.398 120.570 0.004 0.000 2.406 276 I HA -0.189 3.981 4.170 -0.000 0.000 0.249 276 I C 2.438 178.558 176.117 0.005 0.000 1.122 276 I CA 0.816 62.120 61.300 0.007 0.000 1.431 276 I CB -0.071 37.934 38.000 0.010 0.000 1.087 276 I HN -0.053 nan 8.210 nan 0.000 0.424 277 K N 1.425 121.825 120.400 0.001 0.000 2.217 277 K HA -0.088 4.232 4.320 -0.000 0.000 0.202 277 K C 2.159 178.758 176.600 -0.001 0.000 1.051 277 K CA 1.066 57.353 56.287 -0.001 0.000 0.952 277 K CB 0.025 32.522 32.500 -0.004 0.000 0.736 277 K HN 0.295 nan 8.250 nan 0.000 0.453 278 A N 0.891 123.710 122.820 -0.001 0.000 1.969 278 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 278 A C 2.065 179.651 177.584 0.002 0.000 1.169 278 A CA 2.033 54.070 52.037 -0.001 0.000 0.635 278 A CB -0.499 18.500 19.000 -0.002 0.000 0.810 278 A HN 0.506 nan 8.150 nan 0.000 0.445 279 S N -1.661 114.042 115.700 0.005 0.000 2.395 279 S HA 0.335 4.805 4.470 -0.000 0.000 0.225 279 S C 1.390 175.995 174.600 0.008 0.000 1.027 279 S CA 1.130 59.334 58.200 0.008 0.000 0.965 279 S CB -0.563 62.644 63.200 0.011 0.000 0.812 279 S HN 1.996 nan 8.310 nan 0.000 0.482 280 G N 0.747 109.552 108.800 0.007 0.000 2.392 280 G HA2 0.220 4.180 3.960 -0.000 0.000 0.215 280 G HA3 0.220 4.180 3.960 -0.000 0.000 0.215 280 G C -0.176 174.730 174.900 0.010 0.000 1.097 280 G CA -0.315 44.790 45.100 0.007 0.000 0.840 280 G HN 1.238 nan 8.290 nan 0.000 0.492 281 A N 0.382 123.208 122.820 0.010 0.000 2.267 281 A HA 0.699 5.019 4.320 -0.000 0.000 0.315 281 A C 1.035 178.622 177.584 0.005 0.000 1.297 281 A CA 0.114 52.159 52.037 0.014 0.000 0.865 281 A CB 0.492 19.504 19.000 0.021 0.000 1.165 281 A HN 0.832 nan 8.150 nan 0.000 0.513 282 N N 1.908 120.611 118.700 0.004 0.000 2.446 282 N HA -0.011 4.729 4.740 -0.000 0.000 0.179 282 N C -0.078 175.420 175.510 -0.021 0.000 1.054 282 N CA 0.674 53.720 53.050 -0.007 0.000 0.905 282 N CB -0.092 38.394 38.487 -0.003 0.000 0.973 282 N HN 0.263 nan 8.380 nan 0.000 0.448 283 V N 0.995 120.901 119.914 -0.014 0.000 2.555 283 V HA 0.476 4.596 4.120 -0.000 0.000 0.302 283 V C -0.956 175.110 176.094 -0.046 0.000 1.038 283 V CA -0.990 61.282 62.300 -0.048 0.000 0.887 283 V CB 1.778 33.597 31.823 -0.006 0.000 0.991 283 V HN 0.148 nan 8.190 nan 0.000 0.434 284 L N 5.175 126.314 121.223 -0.141 0.000 2.406 284 L HA 0.621 4.961 4.340 -0.000 0.000 0.270 284 L C -1.370 175.381 176.870 -0.198 0.000 0.982 284 L CA 0.077 54.864 54.840 -0.089 0.000 0.843 284 L CB 1.311 43.335 42.059 -0.058 0.000 1.225 284 L HN 0.490 nan 8.230 nan 0.000 0.412 285 F N 4.851 124.806 119.950 0.008 0.000 2.361 285 F HA 0.421 4.948 4.527 -0.000 0.000 0.364 285 F C 0.235 176.038 175.800 0.006 0.000 1.120 285 F CA -0.203 57.801 58.000 0.006 0.000 1.102 285 F CB 1.170 40.172 39.000 0.003 0.000 1.183 285 F HN 0.478 nan 8.300 nan 0.000 0.476 286 C N 5.166 124.556 119.300 0.151 0.000 2.303 286 C HA 0.237 4.697 4.460 -0.000 0.000 0.326 286 C C 1.487 176.538 174.990 0.102 0.000 1.285 286 C CA -0.372 58.705 59.018 0.098 0.000 1.675 286 C CB 0.703 28.473 27.740 0.049 0.000 2.289 286 C HN 1.036 nan 8.230 nan 0.000 0.512 287 Q N 2.733 122.580 119.800 0.077 0.000 2.137 287 Q HA 0.020 4.360 4.340 -0.000 0.000 0.198 287 Q C 1.028 177.053 176.000 0.043 0.000 0.960 287 Q CA 1.143 56.980 55.803 0.058 0.000 0.847 287 Q CB 0.223 28.984 28.738 0.040 0.000 0.915 287 Q HN 0.656 nan 8.270 nan 0.000 0.448 288 K N -0.343 120.080 120.400 0.038 0.000 2.646 288 K HA 0.324 4.644 4.320 -0.000 0.000 0.270 288 K C -0.037 176.580 176.600 0.029 0.000 1.026 288 K CA -0.031 56.273 56.287 0.029 0.000 1.043 288 K CB -0.069 32.445 32.500 0.024 0.000 1.383 288 K HN 0.140 nan 8.250 nan 0.000 0.513 289 G N 0.694 109.508 108.800 0.023 0.000 2.372 289 G HA2 0.486 4.445 3.960 -0.000 0.000 0.283 289 G HA3 0.486 4.445 3.960 -0.000 0.000 0.283 289 G C -0.252 174.660 174.900 0.020 0.000 1.177 289 G CA -0.536 44.576 45.100 0.020 0.000 0.842 289 G HN 0.315 nan 8.290 nan 0.000 0.503 290 I N 1.895 122.475 120.570 0.018 0.000 2.336 290 I HA 0.174 4.344 4.170 -0.000 0.000 0.292 290 I C 0.167 176.294 176.117 0.018 0.000 0.991 290 I CA -0.764 60.547 61.300 0.018 0.000 1.227 290 I CB 1.566 39.574 38.000 0.012 0.000 1.366 290 I HN 0.344 nan 8.210 nan 0.000 0.466 291 D N 4.065 124.480 120.400 0.024 0.000 2.357 291 D HA -0.056 4.584 4.640 -0.000 0.000 0.242 291 D C 0.608 176.919 176.300 0.018 0.000 1.153 291 D CA 0.057 54.070 54.000 0.022 0.000 0.918 291 D CB 1.503 42.321 40.800 0.030 0.000 1.181 291 D HN 0.591 nan 8.370 nan 0.000 0.435 292 D N 1.648 122.052 120.400 0.006 0.000 2.178 292 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 292 D C 2.055 178.339 176.300 -0.027 0.000 0.980 292 D CA 0.940 54.934 54.000 -0.010 0.000 0.842 292 D CB 0.109 40.899 40.800 -0.018 0.000 0.948 292 D HN 0.382 nan 8.370 nan 0.000 0.472 293 L N -0.151 121.064 121.223 -0.013 0.000 2.056 293 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 293 L C 2.519 179.384 176.870 -0.008 0.000 1.078 293 L CA 1.128 55.945 54.840 -0.038 0.000 0.749 293 L CB -0.402 41.696 42.059 0.065 0.000 0.901 293 L HN 0.007 nan 8.230 nan 0.000 0.433 294 A N -0.677 122.203 122.820 0.100 0.000 2.015 294 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 294 A C 2.203 179.833 177.584 0.076 0.000 1.163 294 A CA 1.173 53.304 52.037 0.157 0.000 0.646 294 A CB -0.341 18.727 19.000 0.113 0.000 0.806 294 A HN 0.479 nan 8.150 nan 0.000 0.448 295 Q N -1.306 118.505 119.800 0.018 0.000 2.124 295 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 295 Q C 2.124 178.108 176.000 -0.027 0.000 0.977 295 Q CA 1.459 57.259 55.803 -0.005 0.000 0.850 295 Q CB -0.345 28.387 28.738 -0.010 0.000 0.901 295 Q HN 0.925 nan 8.270 nan 0.000 0.429 296 H N -0.329 118.630 119.070 -0.185 0.000 2.357 296 H HA -0.135 4.421 4.556 -0.000 0.000 0.301 296 H C 1.362 176.575 175.328 -0.192 0.000 1.082 296 H CA 1.422 57.318 56.048 -0.254 0.000 1.342 296 H CB 0.120 29.622 29.762 -0.434 0.000 1.389 296 H HN 0.268 nan 8.280 nan 0.000 0.511 297 Y N 0.690 120.976 120.300 -0.022 0.000 2.263 297 Y HA -0.067 4.483 4.550 -0.000 0.000 0.292 297 Y C 2.926 178.771 175.900 -0.092 0.000 1.130 297 Y CA 0.515 58.572 58.100 -0.070 0.000 1.179 297 Y CB -0.550 37.933 38.460 0.039 0.000 0.998 297 Y HN 0.106 nan 8.280 nan 0.000 0.532 298 L N -0.853 120.416 121.223 0.076 0.000 2.093 298 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 298 L C 2.532 179.383 176.870 -0.031 0.000 1.085 298 L CA 1.184 56.036 54.840 0.019 0.000 0.755 298 L CB -0.626 41.439 42.059 0.011 0.000 0.904 298 L HN 0.197 nan 8.230 nan 0.000 0.435 299 A N -0.715 122.063 122.820 -0.072 0.000 2.067 299 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 299 A C 2.327 179.839 177.584 -0.120 0.000 1.156 299 A CA 1.136 53.117 52.037 -0.092 0.000 0.683 299 A CB -0.271 18.670 19.000 -0.098 0.000 0.808 299 A HN 0.267 nan 8.150 nan 0.000 0.455 300 K N -0.259 120.037 120.400 -0.174 0.000 2.155 300 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 300 K C 1.630 178.192 176.600 -0.063 0.000 1.052 300 K CA 1.253 57.443 56.287 -0.162 0.000 0.948 300 K CB 0.014 32.389 32.500 -0.207 0.000 0.728 300 K HN 0.462 nan 8.250 nan 0.000 0.448 301 E N -1.109 119.069 120.200 -0.036 0.000 2.112 301 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 301 E C 1.240 177.826 176.600 -0.023 0.000 0.979 301 E CA 1.252 57.641 56.400 -0.018 0.000 0.814 301 E CB 0.393 30.090 29.700 -0.006 0.000 0.762 301 E HN 0.536 nan 8.360 nan 0.000 0.460 302 G N 1.092 109.873 108.800 -0.031 0.000 2.205 302 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.180 302 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.180 302 G C 0.200 175.083 174.900 -0.029 0.000 1.004 302 G CA -0.154 44.928 45.100 -0.029 0.000 0.670 302 G HN 0.128 nan 8.290 nan 0.000 0.496 303 I N 1.750 122.302 120.570 -0.029 0.000 2.441 303 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 303 I C 0.573 176.661 176.117 -0.048 0.000 1.049 303 I CA -0.863 60.418 61.300 -0.032 0.000 1.381 303 I CB 1.590 39.577 38.000 -0.022 0.000 1.409 303 I HN -0.126 nan 8.210 nan 0.000 0.523 304 V N 6.013 125.888 119.914 -0.065 0.000 2.427 304 V HA 0.716 4.836 4.120 -0.000 0.000 0.286 304 V C 0.368 176.378 176.094 -0.141 0.000 1.034 304 V CA -0.398 61.847 62.300 -0.092 0.000 0.893 304 V CB 1.179 32.947 31.823 -0.093 0.000 0.982 304 V HN 0.878 nan 8.190 nan 0.000 0.452 305 A N 3.847 126.586 122.820 -0.135 0.000 2.423 305 A HA 1.013 5.333 4.320 -0.000 0.000 0.304 305 A C -0.412 177.069 177.584 -0.173 0.000 1.104 305 A CA -0.433 51.508 52.037 -0.160 0.000 0.757 305 A CB 1.937 20.887 19.000 -0.084 0.000 1.313 305 A HN 1.399 nan 8.150 nan 0.000 0.423 306 A N 1.202 123.905 122.820 -0.194 0.000 2.374 306 A HA 0.716 5.036 4.320 -0.000 0.000 0.305 306 A C -0.295 177.278 177.584 -0.020 0.000 1.053 306 A CA -0.761 51.207 52.037 -0.116 0.000 0.726 306 A CB 0.881 19.779 19.000 -0.170 0.000 1.229 306 A HN 1.105 nan 8.150 nan 0.000 0.431 307 R N 1.976 122.479 120.500 0.005 0.000 2.346 307 R HA 0.741 5.081 4.340 -0.000 0.000 0.311 307 R C -0.464 175.860 176.300 0.040 0.000 0.983 307 R CA -0.706 55.408 56.100 0.023 0.000 0.880 307 R CB 0.745 31.052 30.300 0.013 0.000 1.100 307 R HN 0.695 nan 8.270 nan 0.000 0.453 308 R N 0.808 121.336 120.500 0.047 0.000 3.201 308 R HA -0.114 4.226 4.340 -0.000 0.000 0.254 308 R C -0.787 175.546 176.300 0.055 0.000 0.978 308 R CA 0.493 56.619 56.100 0.044 0.000 0.661 308 R CB -1.718 28.600 30.300 0.030 0.000 1.170 308 R HN 0.500 nan 8.270 nan 0.000 0.430 309 V N 2.091 122.054 119.914 0.081 0.000 2.583 309 V HA 0.099 4.219 4.120 -0.000 0.000 0.287 309 V C 1.241 177.358 176.094 0.038 0.000 1.051 309 V CA -0.362 61.988 62.300 0.084 0.000 1.010 309 V CB 1.359 33.275 31.823 0.155 0.000 0.988 309 V HN 0.121 nan 8.190 nan 0.000 0.478 310 K N 3.346 123.755 120.400 0.016 0.000 2.527 310 K HA -0.026 4.294 4.320 -0.000 0.000 0.278 310 K C 1.225 177.818 176.600 -0.013 0.000 0.981 310 K CA 0.242 56.528 56.287 -0.001 0.000 1.009 310 K CB 0.460 32.953 32.500 -0.011 0.000 0.895 310 K HN 0.586 nan 8.250 nan 0.000 0.493 311 K N 1.519 121.913 120.400 -0.010 0.000 2.147 311 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 311 K C 1.810 178.394 176.600 -0.027 0.000 1.049 311 K CA 1.724 58.003 56.287 -0.014 0.000 0.936 311 K CB 0.102 32.597 32.500 -0.008 0.000 0.722 311 K HN 0.650 nan 8.250 nan 0.000 0.446 312 S N 0.633 116.315 115.700 -0.031 0.000 2.383 312 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 312 S C 1.344 175.908 174.600 -0.059 0.000 1.026 312 S CA 1.303 59.480 58.200 -0.039 0.000 0.981 312 S CB -0.191 62.988 63.200 -0.036 0.000 0.818 312 S HN 0.273 nan 8.310 nan 0.000 0.472 313 D N 1.070 121.428 120.400 -0.070 0.000 2.234 313 D HA 0.098 4.738 4.640 -0.000 0.000 0.205 313 D C 1.892 178.102 176.300 -0.149 0.000 0.962 313 D CA 0.691 54.624 54.000 -0.111 0.000 0.855 313 D CB -0.223 40.510 40.800 -0.111 0.000 0.951 313 D HN 0.323 nan 8.370 nan 0.000 0.500 314 M N 0.482 120.018 119.600 -0.108 0.000 2.200 314 M HA -0.053 4.427 4.480 -0.000 0.000 0.265 314 M C 1.781 178.027 176.300 -0.089 0.000 1.066 314 M CA 1.100 56.337 55.300 -0.104 0.000 1.127 314 M CB -0.611 31.962 32.600 -0.045 0.000 1.379 314 M HN 0.066 nan 8.290 nan 0.000 0.420 315 E N -0.288 119.871 120.200 -0.069 0.000 2.208 315 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 315 E C 2.032 178.592 176.600 -0.068 0.000 0.988 315 E CA 0.553 56.920 56.400 -0.056 0.000 0.828 315 E CB 0.145 29.821 29.700 -0.041 0.000 0.763 315 E HN 0.342 nan 8.360 nan 0.000 0.478 316 K N 0.610 120.956 120.400 -0.089 0.000 2.062 316 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 316 K C 2.179 178.710 176.600 -0.116 0.000 1.051 316 K CA 0.692 56.921 56.287 -0.097 0.000 0.941 316 K CB -0.185 32.249 32.500 -0.110 0.000 0.719 316 K HN 0.182 nan 8.250 nan 0.000 0.440 317 L N 0.626 121.750 121.223 -0.164 0.000 2.141 317 L HA -0.108 4.231 4.340 -0.000 0.000 0.209 317 L C 2.454 179.261 176.870 -0.106 0.000 1.094 317 L CA 0.927 55.654 54.840 -0.189 0.000 0.763 317 L CB -0.427 41.424 42.059 -0.347 0.000 0.908 317 L HN 0.093 nan 8.230 nan 0.000 0.437 318 A N -0.193 122.579 122.820 -0.080 0.000 1.968 318 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 318 A C 2.284 179.848 177.584 -0.034 0.000 1.169 318 A CA 1.316 53.327 52.037 -0.044 0.000 0.638 318 A CB -0.140 18.840 19.000 -0.034 0.000 0.812 318 A HN 0.314 nan 8.150 nan 0.000 0.446 319 K N -0.792 119.583 120.400 -0.041 0.000 2.284 319 K HA 0.254 4.574 4.320 -0.000 0.000 0.198 319 K C 2.182 178.764 176.600 -0.031 0.000 1.048 319 K CA 0.664 56.932 56.287 -0.031 0.000 0.987 319 K CB -0.004 32.477 32.500 -0.031 0.000 0.800 319 K HN 0.378 nan 8.250 nan 0.000 0.486 320 A N 1.440 124.235 122.820 -0.041 0.000 1.855 320 A HA -0.113 4.207 4.320 -0.000 0.000 0.213 320 A C 2.255 179.825 177.584 -0.024 0.000 1.195 320 A CA 1.972 53.987 52.037 -0.036 0.000 0.610 320 A CB -0.842 18.127 19.000 -0.051 0.000 0.837 320 A HN 0.367 nan 8.150 nan 0.000 0.444 321 T N -4.067 110.473 114.554 -0.023 0.000 3.043 321 T HA 0.383 4.733 4.350 -0.000 0.000 0.263 321 T C 1.217 175.917 174.700 0.000 0.000 1.094 321 T CA 1.106 63.203 62.100 -0.005 0.000 1.127 321 T CB -0.126 68.745 68.868 0.006 0.000 0.905 321 T HN 1.833 nan 8.240 nan 0.000 0.490 322 G N 1.051 109.847 108.800 -0.006 0.000 2.414 322 G HA2 0.241 4.201 3.960 -0.000 0.000 0.256 322 G HA3 0.241 4.201 3.960 -0.000 0.000 0.256 322 G C -0.059 174.842 174.900 0.003 0.000 1.128 322 G CA -0.293 44.806 45.100 -0.002 0.000 0.944 322 G HN 1.087 nan 8.290 nan 0.000 0.500 323 A N 0.107 122.927 122.820 -0.000 0.000 2.354 323 A HA 0.883 5.203 4.320 -0.000 0.000 0.321 323 A C -0.094 177.492 177.584 0.004 0.000 1.125 323 A CA -0.856 51.186 52.037 0.008 0.000 0.799 323 A CB 1.114 20.122 19.000 0.014 0.000 1.293 323 A HN 0.354 nan 8.150 nan 0.000 0.452 324 N N 0.300 119.006 118.700 0.010 0.000 2.372 324 N HA 0.401 5.141 4.740 -0.000 0.000 0.291 324 N C -0.950 174.568 175.510 0.013 0.000 1.024 324 N CA -0.374 52.681 53.050 0.008 0.000 0.873 324 N CB 1.860 40.352 38.487 0.009 0.000 1.206 324 N HN 0.293 nan 8.380 nan 0.000 0.486 325 V N 3.646 123.565 119.914 0.008 0.000 2.415 325 V HA 0.181 4.301 4.120 -0.000 0.000 0.267 325 V C 0.394 176.497 176.094 0.014 0.000 1.042 325 V CA -0.213 62.094 62.300 0.012 0.000 1.000 325 V CB -0.214 31.612 31.823 0.005 0.000 1.015 325 V HN 0.425 nan 8.190 nan 0.000 0.478 326 I N 4.894 125.476 120.570 0.020 0.000 2.354 326 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 326 I C 0.979 177.107 176.117 0.019 0.000 0.989 326 I CA -0.083 61.228 61.300 0.018 0.000 1.188 326 I CB 1.414 39.426 38.000 0.019 0.000 1.342 326 I HN 0.540 nan 8.210 nan 0.000 0.457 327 T N 3.374 117.937 114.554 0.015 0.000 3.223 327 T HA 0.150 4.500 4.350 -0.000 0.000 0.259 327 T C 0.391 175.099 174.700 0.013 0.000 1.015 327 T CA -0.155 61.954 62.100 0.014 0.000 0.908 327 T CB -0.593 68.282 68.868 0.011 0.000 1.054 327 T HN 0.525 nan 8.240 nan 0.000 0.567 328 N N 0.392 119.100 118.700 0.014 0.000 2.503 328 N HA 0.342 5.082 4.740 -0.000 0.000 0.287 328 N C 0.078 175.595 175.510 0.013 0.000 1.096 328 N CA -0.571 52.487 53.050 0.012 0.000 0.936 328 N CB 1.194 39.687 38.487 0.010 0.000 1.570 328 N HN 0.017 nan 8.380 nan 0.000 0.504 329 I N 2.271 122.849 120.570 0.013 0.000 2.830 329 I HA -0.030 4.139 4.170 -0.000 0.000 0.263 329 I C 1.396 177.519 176.117 0.009 0.000 1.230 329 I CA 0.789 62.097 61.300 0.013 0.000 1.480 329 I CB 0.267 38.276 38.000 0.014 0.000 1.095 329 I HN 0.442 nan 8.210 nan 0.000 0.455 330 K N -0.143 120.261 120.400 0.008 0.000 2.296 330 K HA -0.084 4.235 4.320 -0.000 0.000 0.200 330 K C 0.835 177.438 176.600 0.005 0.000 1.048 330 K CA 0.802 57.092 56.287 0.005 0.000 0.966 330 K CB -0.125 32.377 32.500 0.004 0.000 0.754 330 K HN 0.241 nan 8.250 nan 0.000 0.466 331 D N 0.483 120.887 120.400 0.007 0.000 2.462 331 D HA 0.026 4.666 4.640 -0.000 0.000 0.221 331 D C -0.613 175.692 176.300 0.008 0.000 1.173 331 D CA -0.312 53.692 54.000 0.007 0.000 0.831 331 D CB 0.115 40.919 40.800 0.007 0.000 1.001 331 D HN -0.088 nan 8.370 nan 0.000 0.499 332 L N 1.237 122.466 121.223 0.010 0.000 2.530 332 L HA 0.181 4.521 4.340 -0.000 0.000 0.273 332 L C 0.098 176.974 176.870 0.011 0.000 1.141 332 L CA 0.312 55.159 54.840 0.012 0.000 0.905 332 L CB 0.595 42.663 42.059 0.014 0.000 1.202 332 L HN -0.193 nan 8.230 nan 0.000 0.473 333 S N 3.194 118.901 115.700 0.011 0.000 2.651 333 S HA 0.701 5.171 4.470 -0.000 0.000 0.291 333 S C 1.134 175.742 174.600 0.012 0.000 1.141 333 S CA -0.181 58.025 58.200 0.010 0.000 1.027 333 S CB 1.660 64.865 63.200 0.009 0.000 1.043 333 S HN 0.832 nan 8.310 nan 0.000 0.530 334 A N 2.188 125.014 122.820 0.011 0.000 2.066 334 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 334 A C 1.659 179.251 177.584 0.013 0.000 1.157 334 A CA 1.032 53.077 52.037 0.012 0.000 0.670 334 A CB -0.449 18.557 19.000 0.010 0.000 0.804 334 A HN 0.759 nan 8.150 nan 0.000 0.453 335 Q N 0.025 119.832 119.800 0.011 0.000 2.360 335 Q HA 0.062 4.402 4.340 -0.000 0.000 0.202 335 Q C 0.133 176.140 176.000 0.012 0.000 0.915 335 Q CA 0.543 56.352 55.803 0.011 0.000 0.943 335 Q CB 0.346 29.089 28.738 0.009 0.000 1.064 335 Q HN 0.510 nan 8.270 nan 0.000 0.511 336 D N -0.642 119.766 120.400 0.014 0.000 2.340 336 D HA 0.102 4.742 4.640 -0.000 0.000 0.217 336 D C -0.241 176.071 176.300 0.020 0.000 1.081 336 D CA 0.153 54.162 54.000 0.015 0.000 0.842 336 D CB 0.484 41.293 40.800 0.015 0.000 0.934 336 D HN 0.231 nan 8.370 nan 0.000 0.511 337 L N 0.372 121.608 121.223 0.022 0.000 2.325 337 L HA 0.534 4.874 4.340 -0.000 0.000 0.279 337 L C 1.202 178.089 176.870 0.028 0.000 1.054 337 L CA -0.922 53.936 54.840 0.029 0.000 0.804 337 L CB 1.493 43.569 42.059 0.030 0.000 1.200 337 L HN -0.165 nan 8.230 nan 0.000 0.436 338 G N 0.235 109.056 108.800 0.035 0.000 2.528 338 G HA2 0.374 4.334 3.960 -0.000 0.000 0.289 338 G HA3 0.374 4.334 3.960 -0.000 0.000 0.289 338 G C -1.486 173.435 174.900 0.034 0.000 1.192 338 G CA -0.147 44.970 45.100 0.029 0.000 0.921 338 G HN 0.646 nan 8.290 nan 0.000 0.512 339 D N -0.752 119.665 120.400 0.028 0.000 2.549 339 D HA 0.583 5.223 4.640 -0.000 0.000 0.251 339 D C 0.008 176.327 176.300 0.031 0.000 1.153 339 D CA -0.185 53.833 54.000 0.030 0.000 0.861 339 D CB 1.444 42.258 40.800 0.024 0.000 1.207 339 D HN 0.547 nan 8.370 nan 0.000 0.543 340 A N 2.027 124.872 122.820 0.041 0.000 2.313 340 A HA 0.711 5.031 4.320 -0.000 0.000 0.323 340 A C 1.119 178.728 177.584 0.043 0.000 1.133 340 A CA -0.178 51.885 52.037 0.043 0.000 0.847 340 A CB 1.439 20.476 19.000 0.061 0.000 1.308 340 A HN 0.609 nan 8.150 nan 0.000 0.475 341 G N -0.948 107.877 108.800 0.042 0.000 2.490 341 G HA2 0.395 4.355 3.960 -0.000 0.000 0.211 341 G HA3 0.395 4.355 3.960 -0.000 0.000 0.211 341 G C 0.094 175.022 174.900 0.046 0.000 1.159 341 G CA 0.516 45.640 45.100 0.040 0.000 0.819 341 G HN 0.661 nan 8.290 nan 0.000 0.539 342 L N 1.088 122.347 121.223 0.059 0.000 2.528 342 L HA 0.559 4.898 4.340 -0.000 0.000 0.267 342 L C -1.523 175.404 176.870 0.096 0.000 0.961 342 L CA -0.627 54.252 54.840 0.065 0.000 0.866 342 L CB 2.516 44.610 42.059 0.058 0.000 1.248 342 L HN -0.116 nan 8.230 nan 0.000 0.404 343 V N 4.167 124.136 119.914 0.091 0.000 2.357 343 V HA 0.547 4.667 4.120 -0.000 0.000 0.284 343 V C -0.437 175.718 176.094 0.102 0.000 1.018 343 V CA -0.438 61.935 62.300 0.121 0.000 0.841 343 V CB 1.559 33.451 31.823 0.115 0.000 0.991 343 V HN 0.742 nan 8.190 nan 0.000 0.437 344 E N 3.163 123.448 120.200 0.143 0.000 2.304 344 E HA 0.299 4.649 4.350 -0.000 0.000 0.277 344 E C -0.897 175.784 176.600 0.136 0.000 0.898 344 E CA -0.568 55.884 56.400 0.087 0.000 0.764 344 E CB 1.992 31.696 29.700 0.007 0.000 1.216 344 E HN 0.742 nan 8.360 nan 0.000 0.419 345 E N 4.938 125.188 120.200 0.082 0.000 1.856 345 E HA 0.131 4.481 4.350 -0.000 0.000 0.263 345 E C -0.618 176.014 176.600 0.054 0.000 1.137 345 E CA -0.219 56.243 56.400 0.103 0.000 1.007 345 E CB 0.293 30.031 29.700 0.062 0.000 1.117 345 E HN 0.287 nan 8.360 nan 0.000 0.438 346 R N 2.251 122.777 120.500 0.045 0.000 2.441 346 R HA 0.188 4.527 4.340 -0.000 0.000 0.284 346 R C 0.258 176.585 176.300 0.046 0.000 1.070 346 R CA -0.219 55.829 56.100 -0.087 0.000 1.047 346 R CB 0.897 30.902 30.300 -0.492 0.000 1.016 346 R HN 0.203 nan 8.270 nan 0.000 0.477 347 K N 2.577 122.982 120.400 0.009 0.000 3.001 347 K HA 0.115 4.434 4.320 -0.000 0.000 0.257 347 K C -0.191 176.437 176.600 0.047 0.000 1.290 347 K CA -0.224 56.086 56.287 0.039 0.000 1.252 347 K CB -0.094 32.416 32.500 0.017 0.000 1.656 347 K HN 0.315 nan 8.250 nan 0.000 0.351 348 I N 1.022 121.653 120.570 0.102 0.000 2.556 348 I HA -0.120 4.050 4.170 -0.000 0.000 0.284 348 I C 0.913 177.091 176.117 0.101 0.000 1.114 348 I CA 0.988 62.358 61.300 0.116 0.000 1.418 348 I CB 0.934 39.091 38.000 0.261 0.000 1.394 348 I HN 0.468 nan 8.210 nan 0.000 0.552 349 S N 4.688 120.428 115.700 0.066 0.000 3.533 349 S HA -0.205 4.264 4.470 -0.000 0.000 0.347 349 S C 1.135 175.759 174.600 0.039 0.000 1.101 349 S CA 1.579 59.808 58.200 0.048 0.000 1.009 349 S CB -1.613 61.617 63.200 0.049 0.000 0.916 349 S HN 1.983 nan 8.310 nan 0.000 0.496 350 G N 0.110 108.932 108.800 0.037 0.000 2.579 350 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.222 350 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.222 350 G C -0.311 174.611 174.900 0.036 0.000 1.201 350 G CA 0.276 45.394 45.100 0.030 0.000 0.710 350 G HN 0.730 nan 8.290 nan 0.000 0.516 351 D N 2.000 122.427 120.400 0.045 0.000 2.390 351 D HA 0.467 5.107 4.640 -0.000 0.000 0.249 351 D C 0.771 177.114 176.300 0.072 0.000 1.144 351 D CA 0.818 54.848 54.000 0.049 0.000 0.880 351 D CB 1.364 42.190 40.800 0.042 0.000 1.182 351 D HN 0.610 nan 8.370 nan 0.000 0.451 352 S N 2.226 117.964 115.700 0.064 0.000 2.400 352 S HA 0.510 4.980 4.470 -0.000 0.000 0.295 352 S C 0.097 174.755 174.600 0.097 0.000 1.113 352 S CA -0.777 57.471 58.200 0.080 0.000 1.064 352 S CB 0.404 63.636 63.200 0.053 0.000 0.990 352 S HN 0.328 nan 8.310 nan 0.000 0.502 353 M N 2.749 122.441 119.600 0.153 0.000 2.662 353 M HA 0.513 4.993 4.480 -0.000 0.000 0.310 353 M C -0.719 175.711 176.300 0.217 0.000 1.204 353 M CA -0.793 54.590 55.300 0.138 0.000 0.891 353 M CB 2.040 34.681 32.600 0.068 0.000 1.732 353 M HN 0.509 nan 8.290 nan 0.000 0.467 354 I N 1.916 122.584 120.570 0.163 0.000 2.363 354 I HA 0.116 4.286 4.170 -0.000 0.000 0.292 354 I C -0.895 175.333 176.117 0.185 0.000 1.075 354 I CA 0.081 61.510 61.300 0.214 0.000 1.333 354 I CB -0.065 38.090 38.000 0.258 0.000 1.415 354 I HN 0.418 nan 8.210 nan 0.000 0.502 355 F N 6.572 126.563 119.950 0.068 0.000 2.462 355 F HA 0.194 4.721 4.527 -0.000 0.000 0.354 355 F C 0.298 176.135 175.800 0.061 0.000 1.192 355 F CA -0.299 57.731 58.000 0.050 0.000 1.173 355 F CB 0.493 39.512 39.000 0.032 0.000 1.402 355 F HN 0.127 nan 8.300 nan 0.000 0.595 356 V N 5.093 125.082 119.914 0.125 0.000 2.322 356 V HA 0.243 4.363 4.120 -0.000 0.000 0.258 356 V C 0.119 176.253 176.094 0.066 0.000 1.074 356 V CA -0.245 62.120 62.300 0.107 0.000 0.909 356 V CB -0.075 31.789 31.823 0.069 0.000 1.090 356 V HN 0.745 nan 8.190 nan 0.000 0.486 357 E N 3.599 123.859 120.200 0.101 0.000 2.415 357 E HA 0.817 5.167 4.350 -0.000 0.000 0.255 357 E C -1.039 175.600 176.600 0.066 0.000 0.936 357 E CA -0.857 55.586 56.400 0.072 0.000 0.876 357 E CB 2.305 32.061 29.700 0.094 0.000 1.696 357 E HN 0.238 nan 8.360 nan 0.000 0.435 358 E N -1.600 118.630 120.200 0.050 0.000 6.068 358 E HA 0.128 4.478 4.350 -0.000 0.000 0.553 358 E C -1.950 174.670 176.600 0.033 0.000 1.217 358 E CA 0.322 56.751 56.400 0.048 0.000 3.042 358 E CB -0.616 29.120 29.700 0.061 0.000 0.783 358 E HN 0.941 nan 8.360 nan 0.000 0.262 359 C N 1.700 121.017 119.300 0.028 0.000 3.228 359 C HA 0.651 5.111 4.460 -0.000 0.000 0.331 359 C C -0.169 174.836 174.990 0.025 0.000 1.418 359 C CA -0.151 58.881 59.018 0.024 0.000 1.163 359 C CB 1.173 28.920 27.740 0.012 0.000 1.557 359 C HN 0.797 nan 8.230 nan 0.000 0.418 360 K N 0.170 120.589 120.400 0.032 0.000 3.654 360 K HA 0.223 4.543 4.320 -0.000 0.000 0.263 360 K C 0.009 176.650 176.600 0.068 0.000 1.476 360 K CA 0.041 56.359 56.287 0.050 0.000 1.369 360 K CB -0.980 31.558 32.500 0.065 0.000 2.428 360 K HN 0.825 nan 8.250 nan 0.000 0.520 361 H N 4.169 123.243 119.070 0.008 0.000 3.681 361 H HA 0.182 4.738 4.556 -0.000 0.000 0.242 361 H C -2.268 173.065 175.328 0.008 0.000 1.428 361 H CA -1.096 54.956 56.048 0.007 0.000 1.560 361 H CB -0.344 29.422 29.762 0.006 0.000 1.762 361 H HN 0.003 nan 8.280 nan 0.000 0.592 362 P HA 0.236 nan 4.420 nan 0.000 0.304 362 P C 0.068 177.273 177.300 -0.159 0.000 1.360 362 P CA -0.882 62.142 63.100 -0.127 0.000 0.869 362 P CB 1.927 33.592 31.700 -0.058 0.000 0.988 363 K N 0.784 121.121 120.400 -0.106 0.000 2.379 363 K HA 0.338 4.658 4.320 -0.000 0.000 0.194 363 K C 0.487 177.059 176.600 -0.046 0.000 1.031 363 K CA 0.215 56.456 56.287 -0.078 0.000 1.037 363 K CB 0.519 32.990 32.500 -0.049 0.000 0.824 363 K HN 0.544 nan 8.250 nan 0.000 0.516 364 A N 1.013 123.812 122.820 -0.035 0.000 2.356 364 A HA 0.596 4.916 4.320 -0.000 0.000 0.310 364 A C -0.805 176.770 177.584 -0.015 0.000 1.075 364 A CA -0.579 51.447 52.037 -0.020 0.000 0.746 364 A CB 1.608 20.602 19.000 -0.009 0.000 1.221 364 A HN -0.095 nan 8.150 nan 0.000 0.443 365 V N 1.595 121.502 119.914 -0.012 0.000 2.680 365 V HA 0.628 4.748 4.120 -0.000 0.000 0.309 365 V C 0.008 176.103 176.094 0.002 0.000 1.052 365 V CA -0.423 61.874 62.300 -0.005 0.000 0.908 365 V CB 2.275 34.092 31.823 -0.010 0.000 1.001 365 V HN 0.932 nan 8.190 nan 0.000 0.431 366 T N 5.777 120.340 114.554 0.014 0.000 2.794 366 T HA 0.542 4.892 4.350 -0.000 0.000 0.280 366 T C -0.355 174.358 174.700 0.022 0.000 0.987 366 T CA -0.479 61.633 62.100 0.019 0.000 0.993 366 T CB 1.023 69.915 68.868 0.041 0.000 0.939 366 T HN 0.343 nan 8.240 nan 0.000 0.449 367 M N 3.732 123.340 119.600 0.013 0.000 2.072 367 M HA 0.319 4.799 4.480 -0.000 0.000 0.331 367 M C -0.593 175.718 176.300 0.018 0.000 1.004 367 M CA -1.034 54.274 55.300 0.014 0.000 0.952 367 M CB 0.905 33.508 32.600 0.004 0.000 1.511 367 M HN 0.399 nan 8.290 nan 0.000 0.422 368 L N 6.003 127.247 121.223 0.036 0.000 2.384 368 L HA 0.341 4.681 4.340 -0.000 0.000 0.258 368 L C -0.356 176.532 176.870 0.030 0.000 1.266 368 L CA 0.306 55.174 54.840 0.047 0.000 1.162 368 L CB -0.567 41.545 42.059 0.087 0.000 1.375 368 L HN 0.515 nan 8.230 nan 0.000 0.420 369 I N 4.447 125.025 120.570 0.013 0.000 2.436 369 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 369 I C 0.448 176.571 176.117 0.009 0.000 1.083 369 I CA 0.270 61.575 61.300 0.008 0.000 1.372 369 I CB -0.012 37.987 38.000 -0.000 0.000 1.408 369 I HN 0.497 nan 8.210 nan 0.000 0.516 370 R N 4.363 124.872 120.500 0.015 0.000 2.854 370 R HA 0.879 5.219 4.340 -0.000 0.000 0.271 370 R C -0.237 176.071 176.300 0.014 0.000 0.994 370 R CA -0.975 55.135 56.100 0.016 0.000 0.945 370 R CB 2.341 32.656 30.300 0.026 0.000 1.194 370 R HN 0.742 nan 8.270 nan 0.000 0.476 371 G N -0.785 108.023 108.800 0.013 0.000 2.550 371 G HA2 0.224 4.184 3.960 -0.000 0.000 0.293 371 G HA3 0.224 4.184 3.960 -0.000 0.000 0.293 371 G C 0.455 175.364 174.900 0.016 0.000 1.402 371 G CA -0.177 44.932 45.100 0.015 0.000 0.784 371 G HN 0.519 nan 8.290 nan 0.000 0.482 372 T N -1.822 112.743 114.554 0.018 0.000 2.588 372 T HA 0.092 4.442 4.350 -0.000 0.000 0.261 372 T C 1.442 176.155 174.700 0.022 0.000 1.069 372 T CA 2.161 64.273 62.100 0.019 0.000 1.172 372 T CB -0.921 67.959 68.868 0.020 0.000 0.863 372 T HN 1.255 nan 8.240 nan 0.000 0.408 373 T N -0.772 113.800 114.554 0.030 0.000 2.929 373 T HA 0.545 4.895 4.350 -0.000 0.000 0.284 373 T C 0.714 175.428 174.700 0.024 0.000 1.014 373 T CA -0.654 61.469 62.100 0.038 0.000 1.051 373 T CB 2.143 71.053 68.868 0.069 0.000 1.028 373 T HN 0.146 nan 8.240 nan 0.000 0.485 374 E N 0.187 120.380 120.200 -0.012 0.000 2.160 374 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 374 E C 1.556 178.091 176.600 -0.109 0.000 0.991 374 E CA 1.584 57.935 56.400 -0.082 0.000 0.810 374 E CB -0.464 29.148 29.700 -0.147 0.000 0.742 374 E HN 0.882 nan 8.360 nan 0.000 0.466 375 H N -1.626 117.444 119.070 -0.000 0.000 2.457 375 H HA -0.003 4.553 4.556 -0.000 0.000 0.294 375 H C 1.876 177.204 175.328 0.001 0.000 1.064 375 H CA 1.176 57.224 56.048 -0.000 0.000 1.330 375 H CB 0.328 30.090 29.762 0.000 0.000 1.395 375 H HN 0.027 nan 8.280 nan 0.000 0.541 376 V N 0.414 120.393 119.914 0.108 0.000 2.323 376 V HA -0.196 3.924 4.120 -0.000 0.000 0.244 376 V C 2.188 178.302 176.094 0.034 0.000 1.041 376 V CA 1.557 63.894 62.300 0.061 0.000 1.025 376 V CB -0.347 31.503 31.823 0.046 0.000 0.656 376 V HN 0.383 nan 8.190 nan 0.000 0.451 377 I N 0.133 120.713 120.570 0.017 0.000 2.151 377 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 377 I C 2.572 178.687 176.117 -0.003 0.000 1.080 377 I CA 2.089 63.389 61.300 0.001 0.000 1.339 377 I CB -0.418 37.574 38.000 -0.013 0.000 1.039 377 I HN 0.387 nan 8.210 nan 0.000 0.409 378 E N 0.661 120.856 120.200 -0.008 0.000 2.153 378 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 378 E C 2.015 178.622 176.600 0.011 0.000 0.988 378 E CA 1.268 57.663 56.400 -0.008 0.000 0.811 378 E CB 0.131 29.820 29.700 -0.017 0.000 0.746 378 E HN 0.373 nan 8.360 nan 0.000 0.466 379 E N -0.390 119.825 120.200 0.026 0.000 2.107 379 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 379 E C 1.834 178.444 176.600 0.017 0.000 0.982 379 E CA 0.855 57.271 56.400 0.026 0.000 0.809 379 E CB 0.179 29.900 29.700 0.035 0.000 0.756 379 E HN 0.097 nan 8.360 nan 0.000 0.459 380 V N 0.625 120.547 119.914 0.014 0.000 2.809 380 V HA -0.109 4.011 4.120 -0.000 0.000 0.256 380 V C 2.178 178.275 176.094 0.005 0.000 1.080 380 V CA 1.401 63.707 62.300 0.010 0.000 1.102 380 V CB -0.550 31.279 31.823 0.010 0.000 0.705 380 V HN 0.396 nan 8.190 nan 0.000 0.475 381 A N 0.141 122.962 122.820 0.001 0.000 1.929 381 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 381 A C 2.399 179.981 177.584 -0.003 0.000 1.176 381 A CA 1.170 53.204 52.037 -0.004 0.000 0.628 381 A CB -0.353 18.640 19.000 -0.012 0.000 0.816 381 A HN 0.450 nan 8.150 nan 0.000 0.444 382 R N -0.647 119.854 120.500 0.001 0.000 2.193 382 R HA 0.076 4.416 4.340 -0.000 0.000 0.213 382 R C 2.273 178.576 176.300 0.005 0.000 1.055 382 R CA 0.823 56.924 56.100 0.003 0.000 0.995 382 R CB -0.246 30.058 30.300 0.006 0.000 0.893 382 R HN 0.502 nan 8.270 nan 0.000 0.459 383 A N 0.515 123.339 122.820 0.007 0.000 1.968 383 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 383 A C 2.173 179.760 177.584 0.005 0.000 1.169 383 A CA 0.924 52.965 52.037 0.008 0.000 0.638 383 A CB -0.135 18.871 19.000 0.010 0.000 0.812 383 A HN 0.086 nan 8.150 nan 0.000 0.446 384 V N 0.447 120.363 119.914 0.003 0.000 2.548 384 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 384 V C 2.016 178.110 176.094 -0.000 0.000 1.055 384 V CA 1.913 64.213 62.300 0.001 0.000 1.065 384 V CB -0.699 31.123 31.823 -0.000 0.000 0.681 384 V HN 0.477 nan 8.190 nan 0.000 0.462 385 D N 0.588 120.987 120.400 -0.001 0.000 2.133 385 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 385 D C 1.779 178.079 176.300 -0.001 0.000 0.997 385 D CA 1.782 55.781 54.000 -0.003 0.000 0.840 385 D CB -0.160 40.638 40.800 -0.003 0.000 0.947 385 D HN 0.482 nan 8.370 nan 0.000 0.452 386 D N 0.014 120.415 120.400 0.002 0.000 2.194 386 D HA 0.002 4.642 4.640 -0.000 0.000 0.204 386 D C 1.943 178.245 176.300 0.003 0.000 0.964 386 D CA 0.969 54.971 54.000 0.003 0.000 0.846 386 D CB -0.142 40.661 40.800 0.005 0.000 0.962 386 D HN 0.127 nan 8.370 nan 0.000 0.490 387 A N 0.199 123.021 122.820 0.003 0.000 1.968 387 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 387 A C 2.261 179.846 177.584 0.001 0.000 1.169 387 A CA 0.698 52.736 52.037 0.003 0.000 0.638 387 A CB -0.454 18.547 19.000 0.003 0.000 0.812 387 A HN 0.133 nan 8.150 nan 0.000 0.446 388 V N -0.212 119.701 119.914 -0.001 0.000 2.379 388 V HA -0.120 3.999 4.120 -0.000 0.000 0.245 388 V C 2.788 178.881 176.094 -0.002 0.000 1.044 388 V CA 1.773 64.072 62.300 -0.003 0.000 1.036 388 V CB -1.235 30.586 31.823 -0.004 0.000 0.664 388 V HN 0.582 nan 8.190 nan 0.000 0.453 389 G N 0.759 109.558 108.800 -0.001 0.000 2.421 389 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 389 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 389 G C 1.748 176.648 174.900 0.000 0.000 1.171 389 G CA 1.620 46.719 45.100 -0.001 0.000 0.775 389 G HN 0.536 nan 8.290 nan 0.000 0.543 390 V N -0.797 119.118 119.914 0.001 0.000 2.343 390 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 390 V C 2.733 178.828 176.094 0.002 0.000 1.051 390 V CA 1.738 64.039 62.300 0.002 0.000 1.036 390 V CB -0.944 30.882 31.823 0.004 0.000 0.654 390 V HN 0.154 nan 8.190 nan 0.000 0.451 391 V N 1.842 121.757 119.914 0.001 0.000 2.427 391 V HA -0.021 4.099 4.120 -0.000 0.000 0.248 391 V C 2.907 179.000 176.094 -0.001 0.000 1.051 391 V CA 2.062 64.362 62.300 -0.000 0.000 1.048 391 V CB -1.456 30.366 31.823 -0.001 0.000 0.666 391 V HN 0.628 nan 8.190 nan 0.000 0.456 392 G N -1.350 107.449 108.800 -0.002 0.000 2.422 392 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 392 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 392 G C 1.656 176.555 174.900 -0.002 0.000 1.140 392 G CA 1.242 46.341 45.100 -0.003 0.000 0.775 392 G HN 0.537 nan 8.290 nan 0.000 0.545 393 C N 0.570 119.869 119.300 -0.000 0.000 2.450 393 C HA 0.057 4.516 4.460 -0.000 0.000 0.279 393 C C 3.184 178.174 174.990 0.001 0.000 1.335 393 C CA 1.393 60.411 59.018 0.000 0.000 1.749 393 C CB -0.747 26.994 27.740 0.001 0.000 1.963 393 C HN 0.436 nan 8.230 nan 0.000 0.501 394 T N 1.333 115.887 114.554 0.001 0.000 2.821 394 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 394 T C 1.612 176.312 174.700 0.001 0.000 1.046 394 T CA 1.177 63.278 62.100 0.001 0.000 1.139 394 T CB -0.202 68.667 68.868 0.002 0.000 0.871 394 T HN 0.474 nan 8.240 nan 0.000 0.454 395 I N 0.901 121.472 120.570 0.000 0.000 2.252 395 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 395 I C 2.644 178.761 176.117 0.000 0.000 1.102 395 I CA 1.294 62.594 61.300 -0.000 0.000 1.385 395 I CB -0.293 37.706 38.000 -0.001 0.000 1.064 395 I HN 0.271 nan 8.210 nan 0.000 0.414 396 E N 0.483 120.683 120.200 -0.000 0.000 2.107 396 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 396 E C 1.370 177.971 176.600 0.001 0.000 0.982 396 E CA 1.070 57.470 56.400 0.000 0.000 0.809 396 E CB 0.115 29.815 29.700 -0.000 0.000 0.756 396 E HN 0.506 nan 8.360 nan 0.000 0.459 397 D N -1.552 118.848 120.400 0.001 0.000 2.527 397 D HA 0.050 4.690 4.640 -0.000 0.000 0.249 397 D C 1.429 177.730 176.300 0.001 0.000 1.029 397 D CA 1.341 55.341 54.000 0.001 0.000 0.951 397 D CB 0.459 41.260 40.800 0.001 0.000 1.093 397 D HN 0.300 nan 8.370 nan 0.000 0.464 398 G N 0.156 108.957 108.800 0.001 0.000 2.205 398 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.180 398 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.180 398 G C 0.283 175.184 174.900 0.002 0.000 1.004 398 G CA -0.468 44.633 45.100 0.002 0.000 0.670 398 G HN 0.158 nan 8.290 nan 0.000 0.496 399 R N 0.265 120.766 120.500 0.002 0.000 2.534 399 R HA 0.756 5.096 4.340 -0.000 0.000 0.301 399 R C -0.292 176.010 176.300 0.004 0.000 0.961 399 R CA -0.536 55.565 56.100 0.003 0.000 0.871 399 R CB 1.758 32.059 30.300 0.002 0.000 1.170 399 R HN 0.599 nan 8.270 nan 0.000 0.446 400 I N -1.068 119.505 120.570 0.005 0.000 2.913 400 I HA 0.657 4.827 4.170 -0.000 0.000 0.302 400 I C -0.654 175.468 176.117 0.009 0.000 1.246 400 I CA -1.251 60.053 61.300 0.007 0.000 1.010 400 I CB 2.308 40.312 38.000 0.007 0.000 1.259 400 I HN 0.295 nan 8.210 nan 0.000 0.434 401 V N 0.411 120.331 119.914 0.011 0.000 2.914 401 V HA 0.741 4.861 4.120 -0.000 0.000 0.314 401 V C 0.287 176.392 176.094 0.018 0.000 1.084 401 V CA -0.647 61.662 62.300 0.014 0.000 0.963 401 V CB 1.363 33.195 31.823 0.014 0.000 1.025 401 V HN 0.976 nan 8.190 nan 0.000 0.432 402 S N 1.915 117.629 115.700 0.024 0.000 2.531 402 S HA 0.604 5.074 4.470 -0.000 0.000 0.279 402 S C 0.513 175.130 174.600 0.028 0.000 1.305 402 S CA 0.120 58.337 58.200 0.028 0.000 1.058 402 S CB 0.606 63.828 63.200 0.036 0.000 0.899 402 S HN 1.677 nan 8.310 nan 0.000 0.493 403 G N 0.750 109.566 108.800 0.027 0.000 2.532 403 G HA2 0.564 4.524 3.960 -0.000 0.000 0.291 403 G HA3 0.564 4.524 3.960 -0.000 0.000 0.291 403 G C 0.853 175.769 174.900 0.027 0.000 1.349 403 G CA -0.651 44.463 45.100 0.024 0.000 1.038 403 G HN 2.006 nan 8.290 nan 0.000 0.518 404 G N -2.073 106.739 108.800 0.020 0.000 2.198 404 G HA2 0.281 4.241 3.960 -0.000 0.000 0.257 404 G HA3 0.281 4.241 3.960 -0.000 0.000 0.257 404 G C 1.247 176.152 174.900 0.009 0.000 1.042 404 G CA 0.937 46.047 45.100 0.016 0.000 0.791 404 G HN 2.506 nan 8.290 nan 0.000 0.502 405 G N -1.466 107.335 108.800 0.001 0.000 2.272 405 G HA2 0.014 3.974 3.960 -0.000 0.000 0.280 405 G HA3 0.014 3.974 3.960 -0.000 0.000 0.280 405 G C 1.046 175.946 174.900 -0.001 0.000 1.067 405 G CA 1.489 46.582 45.100 -0.011 0.000 0.902 405 G HN 1.932 nan 8.290 nan 0.000 0.500 406 S N -1.137 114.578 115.700 0.025 0.000 2.444 406 S HA 0.017 4.487 4.470 -0.000 0.000 0.223 406 S C 2.621 177.262 174.600 0.069 0.000 1.054 406 S CA 1.915 60.161 58.200 0.076 0.000 0.947 406 S CB -0.135 63.120 63.200 0.090 0.000 0.850 406 S HN 1.136 nan 8.310 nan 0.000 0.527 407 T N -0.392 114.187 114.554 0.041 0.000 3.085 407 T HA 0.148 4.498 4.350 -0.000 0.000 0.263 407 T C 1.297 175.983 174.700 -0.022 0.000 1.127 407 T CA 0.922 63.041 62.100 0.030 0.000 1.103 407 T CB -0.344 68.540 68.868 0.026 0.000 0.921 407 T HN 0.325 nan 8.240 nan 0.000 0.510 408 E N 1.076 121.248 120.200 -0.046 0.000 2.152 408 E HA 0.012 4.362 4.350 -0.000 0.000 0.192 408 E C 2.208 178.737 176.600 -0.119 0.000 0.983 408 E CA 0.593 56.951 56.400 -0.070 0.000 0.818 408 E CB -0.354 29.308 29.700 -0.064 0.000 0.758 408 E HN 0.400 nan 8.360 nan 0.000 0.467 409 V N 0.592 120.382 119.914 -0.207 0.000 2.407 409 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 409 V C 2.229 178.087 176.094 -0.393 0.000 1.041 409 V CA 1.626 63.713 62.300 -0.355 0.000 1.040 409 V CB -0.352 31.127 31.823 -0.574 0.000 0.671 409 V HN 0.173 nan 8.190 nan 0.000 0.455 410 E N 0.752 120.741 120.200 -0.352 0.000 2.077 410 E HA -0.227 4.122 4.350 -0.000 0.000 0.193 410 E C 1.935 178.523 176.600 -0.021 0.000 0.989 410 E CA 1.384 57.749 56.400 -0.057 0.000 0.800 410 E CB -0.383 29.407 29.700 0.150 0.000 0.746 410 E HN 0.429 nan 8.360 nan 0.000 0.452 411 L N -0.123 121.080 121.223 -0.034 0.000 2.217 411 L HA 0.008 4.348 4.340 -0.000 0.000 0.211 411 L C 2.336 179.200 176.870 -0.010 0.000 1.107 411 L CA 1.642 56.473 54.840 -0.014 0.000 0.783 411 L CB -0.656 41.397 42.059 -0.010 0.000 0.919 411 L HN 0.161 nan 8.230 nan 0.000 0.442 412 S N -0.471 115.206 115.700 -0.038 0.000 2.371 412 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 412 S C 2.065 176.661 174.600 -0.006 0.000 1.029 412 S CA 1.467 59.651 58.200 -0.026 0.000 0.978 412 S CB -0.237 62.926 63.200 -0.061 0.000 0.833 412 S HN 0.613 nan 8.310 nan 0.000 0.466 413 M N -0.607 118.981 119.600 -0.019 0.000 2.349 413 M HA 0.225 4.705 4.480 -0.000 0.000 0.266 413 M C 1.615 177.936 176.300 0.035 0.000 1.076 413 M CA 1.206 56.511 55.300 0.009 0.000 1.126 413 M CB -0.168 32.438 32.600 0.010 0.000 1.392 413 M HN -0.067 nan 8.290 nan 0.000 0.440 414 K N 1.053 121.473 120.400 0.034 0.000 2.365 414 K HA 0.204 4.524 4.320 -0.000 0.000 0.197 414 K C 1.763 178.406 176.600 0.071 0.000 1.042 414 K CA 0.800 57.114 56.287 0.044 0.000 0.987 414 K CB 0.038 32.552 32.500 0.023 0.000 0.779 414 K HN 0.486 nan 8.250 nan 0.000 0.484 415 L N -0.322 120.948 121.223 0.078 0.000 2.416 415 L HA 0.086 4.426 4.340 -0.000 0.000 0.216 415 L C 2.286 179.260 176.870 0.174 0.000 1.098 415 L CA 0.287 55.215 54.840 0.147 0.000 0.840 415 L CB 0.020 42.151 42.059 0.120 0.000 0.981 415 L HN 0.008 nan 8.230 nan 0.000 0.462 416 R N 0.478 121.039 120.500 0.102 0.000 2.090 416 R HA -0.140 4.200 4.340 -0.000 0.000 0.228 416 R C 2.060 178.397 176.300 0.062 0.000 1.110 416 R CA 1.500 57.642 56.100 0.070 0.000 0.973 416 R CB -0.030 30.295 30.300 0.042 0.000 0.869 416 R HN 0.501 nan 8.270 nan 0.000 0.440 417 E N -0.456 119.789 120.200 0.075 0.000 2.208 417 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 417 E C 1.588 178.242 176.600 0.090 0.000 0.988 417 E CA 0.806 57.245 56.400 0.065 0.000 0.828 417 E CB -0.372 29.365 29.700 0.061 0.000 0.763 417 E HN 0.394 nan 8.360 nan 0.000 0.478 418 Y N 1.832 122.131 120.300 -0.001 0.000 2.314 418 Y HA 0.077 4.627 4.550 -0.000 0.000 0.293 418 Y C 2.370 178.264 175.900 -0.009 0.000 1.129 418 Y CA 1.035 59.131 58.100 -0.007 0.000 1.201 418 Y CB -0.267 38.185 38.460 -0.013 0.000 0.999 418 Y HN 0.123 nan 8.280 nan 0.000 0.541 419 A N 0.280 123.043 122.820 -0.095 0.000 2.015 419 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 419 A C 2.028 179.528 177.584 -0.141 0.000 1.163 419 A CA 1.539 53.480 52.037 -0.161 0.000 0.646 419 A CB -0.579 18.403 19.000 -0.030 0.000 0.806 419 A HN 0.621 nan 8.150 nan 0.000 0.448 420 E N -0.605 119.545 120.200 -0.083 0.000 2.153 420 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 420 E C 1.653 178.205 176.600 -0.081 0.000 0.988 420 E CA 0.767 57.132 56.400 -0.059 0.000 0.811 420 E CB -0.224 29.461 29.700 -0.024 0.000 0.746 420 E HN 0.591 nan 8.360 nan 0.000 0.466 421 G N 0.611 109.337 108.800 -0.124 0.000 3.314 421 G HA2 0.186 4.145 3.960 -0.000 0.000 0.238 421 G HA3 0.186 4.145 3.960 -0.000 0.000 0.238 421 G C 0.276 175.078 174.900 -0.164 0.000 1.184 421 G CA -0.255 44.773 45.100 -0.120 0.000 0.806 421 G HN 0.002 nan 8.290 nan 0.000 0.536 422 I N 1.879 122.337 120.570 -0.187 0.000 2.362 422 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 422 I C -0.015 176.043 176.117 -0.098 0.000 0.994 422 I CA -0.734 60.463 61.300 -0.171 0.000 1.158 422 I CB 2.118 39.975 38.000 -0.239 0.000 1.315 422 I HN 0.046 nan 8.210 nan 0.000 0.451 423 S N 4.426 120.084 115.700 -0.070 0.000 2.508 423 S HA 0.937 5.406 4.470 -0.000 0.000 0.284 423 S C 0.121 174.700 174.600 -0.034 0.000 1.192 423 S CA -0.112 58.061 58.200 -0.044 0.000 1.070 423 S CB 1.688 64.867 63.200 -0.035 0.000 1.004 423 S HN 1.209 nan 8.310 nan 0.000 0.493 424 G N 1.854 110.640 108.800 -0.024 0.000 2.343 424 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.562 424 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.562 424 G C -0.099 174.798 174.900 -0.005 0.000 1.269 424 G CA -0.463 44.629 45.100 -0.013 0.000 1.011 424 G HN 0.709 nan 8.290 nan 0.000 0.498 425 R N 0.506 121.009 120.500 0.005 0.000 2.275 425 R HA 0.103 4.443 4.340 -0.000 0.000 0.199 425 R C 2.393 178.710 176.300 0.029 0.000 0.989 425 R CA 1.425 57.536 56.100 0.018 0.000 1.016 425 R CB -0.168 30.146 30.300 0.025 0.000 0.918 425 R HN 0.712 nan 8.270 nan 0.000 0.473 426 E N -0.108 120.106 120.200 0.022 0.000 2.418 426 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 426 E C 1.633 178.248 176.600 0.025 0.000 1.026 426 E CA 0.486 56.906 56.400 0.033 0.000 0.862 426 E CB -0.112 29.600 29.700 0.020 0.000 0.799 426 E HN 0.350 nan 8.360 nan 0.000 0.518 427 Q N 1.408 121.208 119.800 0.000 0.000 2.084 427 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 427 Q C 2.243 178.256 176.000 0.021 0.000 0.978 427 Q CA 1.342 57.136 55.803 -0.016 0.000 0.844 427 Q CB -0.086 28.635 28.738 -0.029 0.000 0.898 427 Q HN 0.443 nan 8.270 nan 0.000 0.426 428 L N 0.300 121.547 121.223 0.041 0.000 2.191 428 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 428 L C 2.530 179.468 176.870 0.113 0.000 1.103 428 L CA 0.867 55.745 54.840 0.063 0.000 0.769 428 L CB -0.505 41.588 42.059 0.056 0.000 0.908 428 L HN 0.247 nan 8.230 nan 0.000 0.438 429 A N -0.415 122.494 122.820 0.147 0.000 1.968 429 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 429 A C 2.290 179.997 177.584 0.205 0.000 1.169 429 A CA 1.326 53.534 52.037 0.284 0.000 0.638 429 A CB -0.530 18.661 19.000 0.317 0.000 0.812 429 A HN 0.189 nan 8.150 nan 0.000 0.446 430 V N -0.101 119.874 119.914 0.101 0.000 2.453 430 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 430 V C 2.538 178.687 176.094 0.092 0.000 1.048 430 V CA 1.863 64.197 62.300 0.057 0.000 1.049 430 V CB -0.805 31.033 31.823 0.024 0.000 0.672 430 V HN 0.490 nan 8.190 nan 0.000 0.457 431 R N 0.443 120.987 120.500 0.073 0.000 2.081 431 R HA -0.081 4.258 4.340 -0.000 0.000 0.235 431 R C 2.401 178.739 176.300 0.063 0.000 1.131 431 R CA 1.485 57.622 56.100 0.062 0.000 0.960 431 R CB -0.524 29.803 30.300 0.045 0.000 0.856 431 R HN 0.522 nan 8.270 nan 0.000 0.436 432 A N 0.167 123.039 122.820 0.086 0.000 2.014 432 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 432 A C 1.861 179.442 177.584 -0.005 0.000 1.163 432 A CA 0.732 52.816 52.037 0.079 0.000 0.652 432 A CB -0.446 18.660 19.000 0.175 0.000 0.808 432 A HN 0.317 nan 8.150 nan 0.000 0.449 433 F N 0.566 120.371 119.950 -0.243 0.000 2.206 433 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 433 F C 2.473 178.158 175.800 -0.191 0.000 1.090 433 F CA 1.197 58.958 58.000 -0.398 0.000 1.323 433 F CB -0.061 38.629 39.000 -0.518 0.000 1.028 433 F HN 0.248 nan 8.300 nan 0.000 0.492 434 A N -0.525 122.353 122.820 0.097 0.000 1.930 434 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 434 A C 1.722 179.290 177.584 -0.027 0.000 1.176 434 A CA 1.655 53.724 52.037 0.053 0.000 0.632 434 A CB -0.712 18.338 19.000 0.083 0.000 0.819 434 A HN 0.340 nan 8.150 nan 0.000 0.445 435 D N 0.074 120.457 120.400 -0.027 0.000 2.269 435 D HA 0.087 4.726 4.640 -0.000 0.000 0.208 435 D C 1.898 178.155 176.300 -0.072 0.000 0.963 435 D CA 1.113 55.090 54.000 -0.038 0.000 0.864 435 D CB -0.130 40.662 40.800 -0.014 0.000 0.936 435 D HN 0.427 nan 8.370 nan 0.000 0.505 436 A N -0.035 122.711 122.820 -0.124 0.000 2.123 436 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 436 A C 2.031 179.506 177.584 -0.181 0.000 1.152 436 A CA 0.271 52.211 52.037 -0.163 0.000 0.728 436 A CB -0.395 18.461 19.000 -0.241 0.000 0.814 436 A HN 0.198 nan 8.150 nan 0.000 0.464 437 L N -0.589 120.526 121.223 -0.180 0.000 2.376 437 L HA -0.060 4.280 4.340 -0.000 0.000 0.219 437 L C 1.636 178.443 176.870 -0.105 0.000 1.133 437 L CA 0.760 55.509 54.840 -0.150 0.000 0.816 437 L CB -0.230 41.757 42.059 -0.119 0.000 0.933 437 L HN 0.405 nan 8.230 nan 0.000 0.449 438 E N -0.675 119.471 120.200 -0.090 0.000 2.445 438 E HA -0.062 4.288 4.350 -0.000 0.000 0.189 438 E C 1.803 178.363 176.600 -0.066 0.000 1.069 438 E CA -0.109 56.247 56.400 -0.074 0.000 0.871 438 E CB 0.461 30.123 29.700 -0.063 0.000 0.991 438 E HN 0.227 nan 8.360 nan 0.000 0.481 439 V N 0.854 120.724 119.914 -0.072 0.000 2.488 439 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 439 V C 1.760 177.821 176.094 -0.055 0.000 1.046 439 V CA 1.003 63.266 62.300 -0.062 0.000 1.053 439 V CB -0.021 31.762 31.823 -0.067 0.000 0.679 439 V HN 0.280 nan 8.190 nan 0.000 0.458 440 I N 1.045 121.580 120.570 -0.058 0.000 2.179 440 I HA -0.076 4.094 4.170 -0.000 0.000 0.242 440 I C 0.023 176.114 176.117 -0.044 0.000 1.088 440 I CA 1.613 62.883 61.300 -0.049 0.000 1.357 440 I CB -2.913 35.059 38.000 -0.047 0.000 1.051 440 I HN 0.361 nan 8.210 nan 0.000 0.409 441 P HA -0.098 nan 4.420 nan 0.000 0.221 441 P C 1.821 179.098 177.300 -0.039 0.000 1.150 441 P CA 1.255 64.331 63.100 -0.041 0.000 0.800 441 P CB -0.130 31.543 31.700 -0.046 0.000 0.787 442 R N -0.069 120.407 120.500 -0.041 0.000 2.073 442 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 442 R C 1.920 178.198 176.300 -0.037 0.000 1.120 442 R CA 2.016 58.094 56.100 -0.037 0.000 0.967 442 R CB -0.707 29.570 30.300 -0.038 0.000 0.862 442 R HN 0.204 nan 8.270 nan 0.000 0.436 443 T N -1.057 113.473 114.554 -0.039 0.000 2.951 443 T HA -0.022 4.328 4.350 -0.000 0.000 0.268 443 T C 1.933 176.608 174.700 -0.042 0.000 1.073 443 T CA 0.604 62.681 62.100 -0.039 0.000 1.134 443 T CB -0.163 68.682 68.868 -0.038 0.000 0.884 443 T HN 0.146 nan 8.240 nan 0.000 0.479 444 L N 0.689 121.886 121.223 -0.043 0.000 2.141 444 L HA 0.073 4.413 4.340 -0.000 0.000 0.209 444 L C 3.130 179.965 176.870 -0.058 0.000 1.094 444 L CA 1.226 56.035 54.840 -0.050 0.000 0.763 444 L CB -0.504 41.527 42.059 -0.046 0.000 0.908 444 L HN 0.394 nan 8.230 nan 0.000 0.437 445 A N -0.809 121.982 122.820 -0.049 0.000 2.016 445 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 445 A C 2.117 179.674 177.584 -0.046 0.000 1.162 445 A CA 0.821 52.829 52.037 -0.048 0.000 0.662 445 A CB -0.235 18.743 19.000 -0.037 0.000 0.812 445 A HN 0.380 nan 8.150 nan 0.000 0.450 446 E N 0.211 120.386 120.200 -0.042 0.000 2.110 446 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 446 E C 1.014 177.589 176.600 -0.041 0.000 0.988 446 E CA 1.132 57.509 56.400 -0.037 0.000 0.804 446 E CB -0.071 29.608 29.700 -0.034 0.000 0.745 446 E HN 0.530 nan 8.360 nan 0.000 0.458 447 N N -0.430 118.241 118.700 -0.049 0.000 2.325 447 N HA 0.062 4.802 4.740 -0.000 0.000 0.182 447 N C 1.177 176.645 175.510 -0.069 0.000 1.088 447 N CA 0.519 53.537 53.050 -0.053 0.000 0.879 447 N CB 0.579 39.035 38.487 -0.052 0.000 0.983 447 N HN 0.058 nan 8.380 nan 0.000 0.471 448 A N 0.102 122.874 122.820 -0.079 0.000 1.935 448 A HA 0.385 4.705 4.320 -0.000 0.000 0.214 448 A C 1.710 179.248 177.584 -0.078 0.000 1.178 448 A CA 1.687 53.662 52.037 -0.103 0.000 0.640 448 A CB -0.171 18.760 19.000 -0.115 0.000 0.825 448 A HN 0.314 nan 8.150 nan 0.000 0.447 449 G N -2.302 106.464 108.800 -0.056 0.000 2.428 449 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.199 449 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.199 449 G C 0.059 174.939 174.900 -0.033 0.000 1.005 449 G CA -0.017 45.058 45.100 -0.041 0.000 0.671 449 G HN 0.352 nan 8.290 nan 0.000 0.485 450 L N 1.721 122.922 121.223 -0.037 0.000 2.466 450 L HA 0.568 4.908 4.340 -0.000 0.000 0.257 450 L C 0.647 177.501 176.870 -0.025 0.000 1.189 450 L CA -0.263 54.560 54.840 -0.028 0.000 0.813 450 L CB 0.508 42.550 42.059 -0.028 0.000 1.118 450 L HN 0.235 nan 8.230 nan 0.000 0.471 451 D N 0.130 120.519 120.400 -0.019 0.000 2.425 451 D HA 0.249 4.889 4.640 -0.000 0.000 0.247 451 D C 0.506 176.794 176.300 -0.019 0.000 1.147 451 D CA 0.392 54.382 54.000 -0.018 0.000 0.879 451 D CB 1.336 42.128 40.800 -0.013 0.000 1.179 451 D HN 0.583 nan 8.370 nan 0.000 0.456 452 A N 3.683 126.490 122.820 -0.021 0.000 2.208 452 A HA 0.066 4.386 4.320 -0.000 0.000 0.209 452 A C 1.760 179.333 177.584 -0.019 0.000 1.161 452 A CA 0.377 52.401 52.037 -0.022 0.000 0.782 452 A CB -0.378 18.607 19.000 -0.025 0.000 0.816 452 A HN 0.720 nan 8.150 nan 0.000 0.477 453 I N -1.655 118.905 120.570 -0.016 0.000 3.265 453 I HA 0.039 4.209 4.170 -0.000 0.000 0.282 453 I C 2.176 178.287 176.117 -0.010 0.000 1.207 453 I CA 0.874 62.166 61.300 -0.013 0.000 1.449 453 I CB 0.054 38.047 38.000 -0.011 0.000 1.121 453 I HN 0.234 nan 8.210 nan 0.000 0.442 454 E N 2.024 122.218 120.200 -0.009 0.000 2.060 454 E HA -0.034 4.316 4.350 -0.000 0.000 0.189 454 E C 2.081 178.679 176.600 -0.004 0.000 0.974 454 E CA 1.302 57.699 56.400 -0.006 0.000 0.808 454 E CB -0.096 29.601 29.700 -0.005 0.000 0.768 454 E HN 0.421 nan 8.360 nan 0.000 0.453 455 I N 0.371 120.937 120.570 -0.006 0.000 2.394 455 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 455 I C 2.101 178.216 176.117 -0.003 0.000 1.136 455 I CA 0.333 61.631 61.300 -0.003 0.000 1.425 455 I CB -0.172 37.824 38.000 -0.008 0.000 1.079 455 I HN 0.147 nan 8.210 nan 0.000 0.425 456 L N 0.355 121.572 121.223 -0.010 0.000 2.261 456 L HA -0.145 4.195 4.340 -0.000 0.000 0.216 456 L C 2.117 178.982 176.870 -0.009 0.000 1.114 456 L CA 1.548 56.379 54.840 -0.015 0.000 0.777 456 L CB -0.174 41.873 42.059 -0.020 0.000 0.910 456 L HN 0.020 nan 8.230 nan 0.000 0.440 457 V N -1.781 118.132 119.914 -0.002 0.000 2.685 457 V HA -0.097 4.023 4.120 -0.000 0.000 0.244 457 V C 2.345 178.448 176.094 0.015 0.000 1.054 457 V CA 0.974 63.276 62.300 0.004 0.000 1.076 457 V CB -0.378 31.446 31.823 0.003 0.000 0.725 457 V HN 0.311 nan 8.190 nan 0.000 0.467 458 K N 0.347 120.756 120.400 0.015 0.000 2.057 458 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 458 K C 2.038 178.664 176.600 0.043 0.000 1.049 458 K CA 1.551 57.852 56.287 0.023 0.000 0.931 458 K CB -0.271 32.239 32.500 0.018 0.000 0.714 458 K HN 0.348 nan 8.250 nan 0.000 0.440 459 V N 0.839 120.783 119.914 0.050 0.000 2.488 459 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 459 V C 2.281 178.459 176.094 0.140 0.000 1.046 459 V CA 1.298 63.660 62.300 0.104 0.000 1.053 459 V CB -0.463 31.407 31.823 0.077 0.000 0.679 459 V HN 0.275 nan 8.190 nan 0.000 0.458 460 R N 0.465 120.997 120.500 0.053 0.000 2.096 460 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 460 R C 2.202 178.546 176.300 0.074 0.000 1.127 460 R CA 1.631 57.751 56.100 0.033 0.000 0.968 460 R CB -0.327 29.973 30.300 0.001 0.000 0.861 460 R HN 0.506 nan 8.270 nan 0.000 0.440 461 A N -0.005 122.852 122.820 0.061 0.000 2.067 461 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 461 A C 1.838 179.458 177.584 0.060 0.000 1.156 461 A CA 1.127 53.195 52.037 0.051 0.000 0.683 461 A CB -0.092 18.927 19.000 0.032 0.000 0.808 461 A HN 0.418 nan 8.150 nan 0.000 0.455 462 A N -2.075 120.794 122.820 0.080 0.000 2.370 462 A HA 0.206 4.526 4.320 -0.000 0.000 0.238 462 A C 1.355 178.942 177.584 0.005 0.000 1.289 462 A CA 0.196 52.259 52.037 0.042 0.000 0.885 462 A CB -0.567 18.452 19.000 0.032 0.000 0.961 462 A HN 0.625 nan 8.150 nan 0.000 0.499 463 H N -1.279 117.792 119.070 0.003 0.000 3.058 463 H HA 0.336 4.892 4.556 -0.000 0.000 0.258 463 H C 1.273 176.604 175.328 0.005 0.000 1.015 463 H CA 0.547 56.597 56.048 0.004 0.000 1.210 463 H CB 0.505 30.269 29.762 0.003 0.000 1.481 463 H HN 0.534 nan 8.280 nan 0.000 0.492 464 A N 1.318 124.200 122.820 0.104 0.000 2.475 464 A HA 0.223 4.543 4.320 -0.000 0.000 0.239 464 A C 1.494 179.099 177.584 0.034 0.000 1.087 464 A CA 0.972 53.046 52.037 0.062 0.000 0.779 464 A CB 0.190 19.217 19.000 0.046 0.000 1.036 464 A HN 0.658 nan 8.150 nan 0.000 0.506 465 S N 0.973 116.691 115.700 0.029 0.000 4.158 465 S HA -0.379 4.091 4.470 -0.000 0.000 0.535 465 S C 1.011 175.619 174.600 0.013 0.000 1.843 465 S CA 2.405 60.615 58.200 0.018 0.000 4.225 465 S CB -1.598 61.609 63.200 0.010 0.000 0.460 465 S HN 1.065 nan 8.310 nan 0.000 0.454 466 N N 1.840 120.541 118.700 0.001 0.000 3.419 466 N HA 0.461 5.201 4.740 -0.000 0.000 0.224 466 N C 0.676 176.166 175.510 -0.033 0.000 1.114 466 N CA 0.697 53.742 53.050 -0.009 0.000 1.144 466 N CB -0.599 37.882 38.487 -0.010 0.000 1.459 466 N HN 0.942 nan 8.380 nan 0.000 0.632 467 G N 0.253 109.023 108.800 -0.050 0.000 2.544 467 G HA2 0.088 4.048 3.960 -0.000 0.000 0.242 467 G HA3 0.088 4.048 3.960 -0.000 0.000 0.242 467 G C 0.280 175.079 174.900 -0.169 0.000 1.247 467 G CA -0.090 44.955 45.100 -0.092 0.000 0.840 467 G HN 0.261 nan 8.290 nan 0.000 0.578 468 N N -0.192 118.319 118.700 -0.316 0.000 2.414 468 N HA 0.025 4.765 4.740 -0.000 0.000 0.177 468 N C 1.556 176.937 175.510 -0.214 0.000 1.062 468 N CA 0.421 53.333 53.050 -0.230 0.000 0.890 468 N CB 0.209 38.577 38.487 -0.199 0.000 1.070 468 N HN 0.827 nan 8.380 nan 0.000 0.454 469 K N -0.960 119.226 120.400 -0.356 0.000 3.376 469 K HA -0.229 4.091 4.320 -0.000 0.000 0.326 469 K C 0.383 176.983 176.600 -0.000 0.000 0.744 469 K CA 1.373 57.607 56.287 -0.088 0.000 1.436 469 K CB -1.592 30.900 32.500 -0.013 0.000 1.298 469 K HN 0.309 nan 8.250 nan 0.000 0.463 470 c N 1.611 120.169 118.600 -0.071 0.000 3.000 470 c HA 0.642 5.212 4.570 -0.000 0.000 0.286 470 c C 0.709 174.797 174.090 -0.004 0.000 1.343 470 c CA 0.212 56.537 56.329 -0.006 0.000 1.742 470 c CB -0.884 41.619 42.510 -0.011 0.000 2.200 470 c HN 0.448 nan 8.230 nan 0.000 0.621 471 A N 0.703 123.490 122.820 -0.055 0.000 2.362 471 A HA 0.660 4.980 4.320 -0.000 0.000 0.276 471 A C 0.508 178.180 177.584 0.148 0.000 1.153 471 A CA 0.627 52.667 52.037 0.006 0.000 0.813 471 A CB 0.034 18.977 19.000 -0.096 0.000 1.081 471 A HN 0.781 nan 8.150 nan 0.000 0.507 472 G N 0.332 109.184 108.800 0.087 0.000 2.727 472 G HA2 0.535 4.495 3.960 -0.000 0.000 0.289 472 G HA3 0.535 4.495 3.960 -0.000 0.000 0.289 472 G C -1.549 173.380 174.900 0.048 0.000 1.418 472 G CA -0.696 44.450 45.100 0.077 0.000 0.818 472 G HN 0.992 nan 8.290 nan 0.000 0.486 473 L N 0.801 122.042 121.223 0.031 0.000 2.265 473 L HA 0.599 4.939 4.340 -0.000 0.000 0.288 473 L C -0.425 176.455 176.870 0.016 0.000 1.058 473 L CA -0.905 53.944 54.840 0.016 0.000 0.809 473 L CB 1.165 43.222 42.059 -0.003 0.000 1.179 473 L HN 0.418 nan 8.230 nan 0.000 0.429 474 N N 3.251 121.967 118.700 0.027 0.000 2.457 474 N HA 0.171 4.911 4.740 -0.000 0.000 0.250 474 N C 0.915 176.427 175.510 0.004 0.000 0.982 474 N CA -0.183 52.899 53.050 0.053 0.000 0.941 474 N CB 1.390 39.935 38.487 0.097 0.000 1.120 474 N HN 0.536 nan 8.380 nan 0.000 0.505 475 V N 1.890 121.739 119.914 -0.108 0.000 2.626 475 V HA -0.069 4.051 4.120 -0.000 0.000 0.252 475 V C 1.327 177.238 176.094 -0.306 0.000 1.067 475 V CA 1.355 63.493 62.300 -0.270 0.000 1.081 475 V CB -1.061 30.498 31.823 -0.439 0.000 0.686 475 V HN 0.408 nan 8.190 nan 0.000 0.468 476 F N 1.536 121.487 119.950 0.001 0.000 2.219 476 F HA 0.057 4.584 4.527 -0.000 0.000 0.294 476 F C 2.640 178.440 175.800 0.001 0.000 1.086 476 F CA 1.646 59.646 58.000 0.000 0.000 1.330 476 F CB -1.146 37.854 39.000 0.000 0.000 1.047 476 F HN 0.063 nan 8.300 nan 0.000 0.495 477 T N -1.221 113.443 114.554 0.183 0.000 2.851 477 T HA 0.222 4.572 4.350 -0.000 0.000 0.262 477 T C 2.063 176.796 174.700 0.054 0.000 1.043 477 T CA 1.424 63.585 62.100 0.101 0.000 1.140 477 T CB -0.628 68.290 68.868 0.084 0.000 0.872 477 T HN 0.486 nan 8.240 nan 0.000 0.446 478 G N 1.429 110.248 108.800 0.032 0.000 2.490 478 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.214 478 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.214 478 G C 0.399 175.305 174.900 0.009 0.000 1.151 478 G CA -0.017 45.088 45.100 0.008 0.000 0.684 478 G HN 0.925 nan 8.290 nan 0.000 0.518 479 A N 0.487 123.318 122.820 0.018 0.000 2.332 479 A HA 0.704 5.023 4.320 -0.000 0.000 0.258 479 A C 0.802 178.398 177.584 0.020 0.000 1.087 479 A CA 0.580 52.627 52.037 0.016 0.000 0.802 479 A CB 1.171 20.181 19.000 0.017 0.000 1.042 479 A HN 1.777 nan 8.150 nan 0.000 0.489 480 V N 1.515 121.440 119.914 0.019 0.000 2.485 480 V HA 0.235 4.355 4.120 -0.000 0.000 0.287 480 V C 0.114 176.222 176.094 0.023 0.000 1.022 480 V CA 0.617 62.931 62.300 0.024 0.000 1.067 480 V CB -0.133 31.707 31.823 0.028 0.000 0.967 480 V HN 0.923 nan 8.190 nan 0.000 0.479 481 E N 4.121 124.337 120.200 0.027 0.000 2.359 481 E HA 0.333 4.683 4.350 -0.000 0.000 0.266 481 E C -1.200 175.411 176.600 0.019 0.000 0.920 481 E CA -0.903 55.510 56.400 0.023 0.000 0.788 481 E CB 1.629 31.347 29.700 0.030 0.000 1.279 481 E HN 0.711 nan 8.360 nan 0.000 0.438 482 D N 2.083 122.489 120.400 0.009 0.000 2.358 482 D HA 0.024 4.664 4.640 -0.000 0.000 0.258 482 D C 0.720 177.028 176.300 0.014 0.000 1.223 482 D CA 0.106 54.108 54.000 0.003 0.000 0.886 482 D CB 0.861 41.656 40.800 -0.007 0.000 1.120 482 D HN 0.356 nan 8.370 nan 0.000 0.482 483 M N 2.684 122.295 119.600 0.019 0.000 2.394 483 M HA -0.100 4.379 4.480 -0.000 0.000 0.264 483 M C 2.130 178.442 176.300 0.019 0.000 1.073 483 M CA 0.381 55.697 55.300 0.026 0.000 1.111 483 M CB -0.623 31.997 32.600 0.035 0.000 1.401 483 M HN 0.513 nan 8.290 nan 0.000 0.448 484 c N 0.576 119.183 118.600 0.012 0.000 2.450 484 c HA -0.102 4.468 4.570 -0.000 0.000 0.279 484 c C 2.428 176.521 174.090 0.006 0.000 1.335 484 c CA 0.774 57.108 56.329 0.008 0.000 1.749 484 c CB -0.828 41.684 42.510 0.003 0.000 1.963 484 c HN 0.560 nan 8.230 nan 0.000 0.501 485 E N 0.593 120.796 120.200 0.006 0.000 2.318 485 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 485 E C 1.453 178.057 176.600 0.007 0.000 0.998 485 E CA 0.458 56.860 56.400 0.004 0.000 0.859 485 E CB -0.069 29.632 29.700 0.002 0.000 0.812 485 E HN 0.574 nan 8.360 nan 0.000 0.492 486 N N -0.078 118.630 118.700 0.013 0.000 2.354 486 N HA -0.009 4.731 4.740 -0.000 0.000 0.179 486 N C 1.013 176.531 175.510 0.013 0.000 1.021 486 N CA 1.124 54.184 53.050 0.017 0.000 0.887 486 N CB 0.600 39.105 38.487 0.031 0.000 0.974 486 N HN 0.251 nan 8.380 nan 0.000 0.437 487 G N -0.934 107.874 108.800 0.013 0.000 2.131 487 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.223 487 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.223 487 G C -0.448 174.463 174.900 0.018 0.000 0.990 487 G CA 0.056 45.163 45.100 0.011 0.000 0.671 487 G HN 0.149 nan 8.290 nan 0.000 0.521 488 V N 1.649 121.578 119.914 0.026 0.000 2.284 488 V HA 0.561 4.681 4.120 -0.000 0.000 0.260 488 V C 0.616 176.725 176.094 0.026 0.000 1.084 488 V CA -0.078 62.242 62.300 0.033 0.000 0.894 488 V CB 0.850 32.701 31.823 0.047 0.000 1.119 488 V HN 1.051 nan 8.190 nan 0.000 0.484 489 V N 2.020 121.947 119.914 0.021 0.000 2.709 489 V HA 0.812 4.932 4.120 -0.000 0.000 0.308 489 V C -0.674 175.429 176.094 0.015 0.000 1.062 489 V CA -0.831 61.480 62.300 0.017 0.000 0.901 489 V CB 2.143 33.974 31.823 0.013 0.000 1.003 489 V HN 0.779 nan 8.190 nan 0.000 0.425 490 E N 3.621 123.830 120.200 0.014 0.000 2.317 490 E HA 0.615 4.965 4.350 -0.000 0.000 0.270 490 E C -3.089 173.517 176.600 0.009 0.000 0.885 490 E CA -2.449 53.958 56.400 0.011 0.000 0.760 490 E CB 2.372 32.079 29.700 0.011 0.000 1.227 490 E HN 0.454 nan 8.360 nan 0.000 0.434 491 P HA -0.064 nan 4.420 nan 0.000 0.268 491 P C 0.383 177.686 177.300 0.006 0.000 1.208 491 P CA -0.309 62.795 63.100 0.006 0.000 0.777 491 P CB 0.533 32.236 31.700 0.005 0.000 0.875 492 L N 2.903 124.129 121.223 0.005 0.000 2.201 492 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 492 L C 2.190 179.063 176.870 0.004 0.000 1.105 492 L CA 1.713 56.556 54.840 0.005 0.000 0.775 492 L CB -0.721 41.340 42.059 0.004 0.000 0.913 492 L HN 0.280 nan 8.230 nan 0.000 0.440 493 R N -1.237 119.266 120.500 0.004 0.000 2.189 493 R HA -0.081 4.259 4.340 -0.000 0.000 0.223 493 R C 1.942 178.245 176.300 0.005 0.000 1.092 493 R CA 1.248 57.351 56.100 0.004 0.000 0.989 493 R CB -0.055 30.247 30.300 0.004 0.000 0.876 493 R HN 0.361 nan 8.270 nan 0.000 0.457 494 V N 1.013 120.930 119.914 0.004 0.000 2.515 494 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 494 V C 2.101 178.196 176.094 0.003 0.000 1.058 494 V CA 1.581 63.883 62.300 0.004 0.000 1.064 494 V CB -0.263 31.562 31.823 0.004 0.000 0.675 494 V HN 0.221 nan 8.190 nan 0.000 0.461 495 K N 0.289 120.691 120.400 0.003 0.000 2.168 495 K HA 0.025 4.345 4.320 -0.000 0.000 0.201 495 K C 2.347 178.951 176.600 0.006 0.000 1.049 495 K CA 1.503 57.791 56.287 0.002 0.000 0.974 495 K CB -0.683 31.818 32.500 0.002 0.000 0.792 495 K HN 0.665 nan 8.250 nan 0.000 0.463 496 T N -0.245 114.313 114.554 0.008 0.000 2.777 496 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 496 T C 2.083 176.792 174.700 0.015 0.000 1.040 496 T CA 1.218 63.325 62.100 0.011 0.000 1.141 496 T CB -0.107 68.765 68.868 0.007 0.000 0.868 496 T HN 0.027 nan 8.240 nan 0.000 0.444 497 Q N 2.003 121.810 119.800 0.012 0.000 2.079 497 Q HA 0.203 4.543 4.340 -0.000 0.000 0.200 497 Q C 2.415 178.425 176.000 0.016 0.000 0.974 497 Q CA 1.749 57.561 55.803 0.014 0.000 0.840 497 Q CB -0.941 27.802 28.738 0.010 0.000 0.898 497 Q HN 0.612 nan 8.270 nan 0.000 0.430 498 A N 0.097 122.924 122.820 0.011 0.000 1.972 498 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 498 A C 2.080 179.671 177.584 0.012 0.000 1.169 498 A CA 1.437 53.478 52.037 0.007 0.000 0.635 498 A CB -0.624 18.375 19.000 -0.002 0.000 0.810 498 A HN 0.492 nan 8.150 nan 0.000 0.446 499 I N -1.397 119.185 120.570 0.021 0.000 2.277 499 I HA -0.199 3.971 4.170 -0.000 0.000 0.243 499 I C 2.693 178.857 176.117 0.077 0.000 1.094 499 I CA 1.493 62.820 61.300 0.044 0.000 1.393 499 I CB -0.201 37.836 38.000 0.061 0.000 1.078 499 I HN 0.314 nan 8.210 nan 0.000 0.417 500 Q N 0.929 120.766 119.800 0.061 0.000 2.167 500 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 500 Q C 2.310 178.344 176.000 0.058 0.000 0.970 500 Q CA 2.118 57.959 55.803 0.063 0.000 0.855 500 Q CB -0.169 28.593 28.738 0.041 0.000 0.911 500 Q HN 0.572 nan 8.270 nan 0.000 0.438 501 S N -1.167 114.558 115.700 0.043 0.000 2.406 501 S HA 0.045 4.515 4.470 -0.000 0.000 0.228 501 S C 1.970 176.596 174.600 0.042 0.000 1.020 501 S CA 0.682 58.903 58.200 0.036 0.000 0.965 501 S CB -0.253 62.961 63.200 0.024 0.000 0.798 501 S HN 0.389 nan 8.310 nan 0.000 0.488 502 A N 1.597 124.444 122.820 0.045 0.000 1.975 502 A HA 0.612 4.932 4.320 -0.000 0.000 0.215 502 A C 2.414 180.051 177.584 0.089 0.000 1.170 502 A CA 1.024 53.088 52.037 0.045 0.000 0.656 502 A CB -1.148 17.859 19.000 0.012 0.000 0.821 502 A HN 0.716 nan 8.150 nan 0.000 0.449 503 A N 0.165 123.066 122.820 0.135 0.000 1.873 503 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 503 A C 1.882 179.572 177.584 0.176 0.000 1.186 503 A CA 1.535 53.711 52.037 0.233 0.000 0.616 503 A CB -0.511 18.669 19.000 0.300 0.000 0.823 503 A HN 0.568 nan 8.150 nan 0.000 0.442 504 E N 0.299 120.568 120.200 0.115 0.000 2.204 504 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 504 E C 2.342 178.982 176.600 0.067 0.000 0.989 504 E CA 1.312 57.761 56.400 0.082 0.000 0.824 504 E CB -0.128 29.607 29.700 0.058 0.000 0.756 504 E HN 0.811 nan 8.360 nan 0.000 0.477 505 S N 0.451 116.190 115.700 0.064 0.000 2.371 505 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 505 S C 2.291 176.920 174.600 0.048 0.000 1.029 505 S CA 1.444 59.672 58.200 0.047 0.000 0.978 505 S CB -0.712 62.511 63.200 0.038 0.000 0.833 505 S HN 0.307 nan 8.310 nan 0.000 0.466 506 T N 0.221 114.818 114.554 0.071 0.000 2.951 506 T HA 0.079 4.429 4.350 -0.000 0.000 0.268 506 T C 1.634 176.357 174.700 0.039 0.000 1.073 506 T CA 1.063 63.201 62.100 0.064 0.000 1.134 506 T CB -0.509 68.432 68.868 0.121 0.000 0.884 506 T HN 0.516 nan 8.240 nan 0.000 0.479 507 E N 0.574 120.817 120.200 0.071 0.000 2.106 507 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 507 E C 2.106 178.713 176.600 0.012 0.000 0.984 507 E CA 1.028 57.452 56.400 0.040 0.000 0.806 507 E CB -0.230 29.517 29.700 0.078 0.000 0.750 507 E HN 0.493 nan 8.360 nan 0.000 0.458 508 M N 0.435 120.048 119.600 0.022 0.000 2.200 508 M HA -0.094 4.385 4.480 -0.000 0.000 0.265 508 M C 1.924 178.226 176.300 0.003 0.000 1.066 508 M CA 1.099 56.408 55.300 0.014 0.000 1.127 508 M CB 0.188 32.800 32.600 0.020 0.000 1.379 508 M HN 0.097 nan 8.290 nan 0.000 0.420 509 L N -0.035 121.188 121.223 0.001 0.000 2.217 509 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 509 L C 1.861 178.714 176.870 -0.027 0.000 1.107 509 L CA 0.660 55.496 54.840 -0.007 0.000 0.783 509 L CB -0.282 41.775 42.059 -0.004 0.000 0.919 509 L HN 0.339 nan 8.230 nan 0.000 0.442 510 L N -0.734 120.461 121.223 -0.047 0.000 2.599 510 L HA -0.010 4.330 4.340 -0.000 0.000 0.230 510 L C 1.645 178.476 176.870 -0.064 0.000 1.141 510 L CA 0.357 55.150 54.840 -0.078 0.000 0.877 510 L CB -0.128 41.850 42.059 -0.135 0.000 1.009 510 L HN 0.132 nan 8.230 nan 0.000 0.447 511 R N -0.171 120.307 120.500 -0.036 0.000 2.466 511 R HA 0.327 4.667 4.340 -0.000 0.000 0.279 511 R C -0.335 175.958 176.300 -0.013 0.000 0.976 511 R CA -0.073 56.014 56.100 -0.022 0.000 1.081 511 R CB 0.337 30.633 30.300 -0.006 0.000 1.215 511 R HN 0.207 nan 8.270 nan 0.000 0.546 512 I N 1.123 121.683 120.570 -0.016 0.000 2.378 512 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 512 I C 0.355 176.468 176.117 -0.006 0.000 0.992 512 I CA -0.364 60.935 61.300 -0.003 0.000 1.154 512 I CB 1.746 39.751 38.000 0.008 0.000 1.315 512 I HN 0.083 nan 8.210 nan 0.000 0.448 513 D N 2.792 123.194 120.400 0.003 0.000 2.502 513 D HA 0.086 4.726 4.640 -0.000 0.000 0.232 513 D C -0.083 176.233 176.300 0.027 0.000 1.137 513 D CA 0.116 54.119 54.000 0.006 0.000 0.827 513 D CB 1.029 41.827 40.800 -0.004 0.000 1.141 513 D HN 0.384 nan 8.370 nan 0.000 0.517 514 D N 0.722 121.142 120.400 0.033 0.000 2.896 514 D HA 0.324 4.964 4.640 -0.000 0.000 0.241 514 D C -1.273 175.058 176.300 0.051 0.000 1.188 514 D CA -0.507 53.519 54.000 0.044 0.000 0.879 514 D CB 3.185 44.001 40.800 0.027 0.000 1.553 514 D HN -0.248 nan 8.370 nan 0.000 0.515 515 V N 4.907 124.868 119.914 0.078 0.000 2.409 515 V HA 0.463 4.583 4.120 -0.000 0.000 0.291 515 V C 0.210 176.326 176.094 0.036 0.000 1.020 515 V CA -0.647 61.701 62.300 0.081 0.000 0.848 515 V CB 1.543 33.466 31.823 0.166 0.000 0.990 515 V HN 0.419 nan 8.190 nan 0.000 0.430 516 I N 4.403 124.981 120.570 0.013 0.000 2.359 516 I HA 0.697 4.867 4.170 -0.000 0.000 0.284 516 I C 0.262 176.369 176.117 -0.016 0.000 1.018 516 I CA -0.336 60.957 61.300 -0.012 0.000 1.173 516 I CB 1.526 39.519 38.000 -0.011 0.000 1.326 516 I HN 0.662 nan 8.210 nan 0.000 0.462 517 A N 5.513 128.313 122.820 -0.032 0.000 2.409 517 A HA 0.851 5.171 4.320 -0.000 0.000 0.300 517 A C 0.059 177.618 177.584 -0.042 0.000 1.273 517 A CA -0.446 51.571 52.037 -0.034 0.000 0.774 517 A CB 0.716 19.694 19.000 -0.037 0.000 1.144 517 A HN 0.728 nan 8.150 nan 0.000 0.472 518 A N 1.524 124.325 122.820 -0.032 0.000 2.259 518 A HA 0.732 5.052 4.320 -0.000 0.000 0.278 518 A C 0.626 178.194 177.584 -0.027 0.000 1.107 518 A CA 0.537 52.556 52.037 -0.030 0.000 0.828 518 A CB 0.085 19.071 19.000 -0.023 0.000 1.111 518 A HN 1.406 nan 8.150 nan 0.000 0.498 519 E N 0.000 120.186 120.200 -0.024 0.000 2.725 519 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 519 E CA 0.000 56.388 56.400 -0.020 0.000 0.976 519 E CB 0.000 29.691 29.700 -0.016 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440