REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kfe_1_A DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXETASEMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.483 175.510 -0.045 0.000 1.280 11 N CA 0.000 53.031 53.050 -0.032 0.000 0.885 11 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 12 M N 0.264 119.827 119.600 -0.062 0.000 1.778 12 M HA 0.235 4.715 4.480 -0.000 0.000 0.200 12 M C -0.554 175.700 176.300 -0.077 0.000 1.294 12 M CA 0.347 55.613 55.300 -0.057 0.000 0.913 12 M CB 0.916 33.485 32.600 -0.051 0.000 1.645 12 M HN 0.042 nan 8.290 nan 0.000 0.598 13 K N 1.358 121.678 120.400 -0.133 0.000 2.471 13 K HA 0.592 4.912 4.320 -0.000 0.000 0.252 13 K C -1.069 175.307 176.600 -0.373 0.000 0.938 13 K CA -0.440 55.711 56.287 -0.227 0.000 0.796 13 K CB 3.174 35.522 32.500 -0.253 0.000 1.161 13 K HN 0.031 nan 8.250 nan 0.000 0.425 14 R N 2.642 122.914 120.500 -0.379 0.000 2.621 14 R HA 0.379 4.719 4.340 -0.000 0.000 0.284 14 R C -1.668 174.475 176.300 -0.261 0.000 0.998 14 R CA -0.603 55.280 56.100 -0.362 0.000 0.895 14 R CB 0.994 31.207 30.300 -0.145 0.000 1.195 14 R HN 0.417 nan 8.270 nan 0.000 0.450 15 Y N 3.615 123.910 120.300 -0.010 0.000 2.335 15 Y HA 0.461 5.011 4.550 -0.000 0.000 0.338 15 Y C 0.055 175.954 175.900 -0.002 0.000 0.977 15 Y CA -1.249 56.849 58.100 -0.005 0.000 1.114 15 Y CB 1.868 40.328 38.460 -0.000 0.000 1.182 15 Y HN 0.308 nan 8.280 nan 0.000 0.463 16 M N 2.222 121.920 119.600 0.163 0.000 2.238 16 M HA 0.391 4.871 4.480 -0.000 0.000 0.350 16 M C 1.115 177.449 176.300 0.056 0.000 1.138 16 M CA -0.082 55.266 55.300 0.080 0.000 1.040 16 M CB 1.020 33.653 32.600 0.055 0.000 1.639 16 M HN 0.925 nan 8.290 nan 0.000 0.451 17 G N 4.185 113.006 108.800 0.035 0.000 2.692 17 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.339 17 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.339 17 G C 0.992 175.895 174.900 0.005 0.000 1.226 17 G CA 1.054 46.160 45.100 0.010 0.000 0.979 17 G HN 0.725 nan 8.290 nan 0.000 0.549 18 R N 0.720 121.217 120.500 -0.006 0.000 2.241 18 R HA 0.083 4.423 4.340 -0.000 0.000 0.224 18 R C 2.116 178.409 176.300 -0.010 0.000 1.101 18 R CA 1.419 57.511 56.100 -0.014 0.000 0.995 18 R CB -0.250 30.039 30.300 -0.019 0.000 0.870 18 R HN 0.496 nan 8.270 nan 0.000 0.463 19 D N 0.135 120.535 120.400 -0.001 0.000 2.137 19 D HA 0.007 4.647 4.640 -0.000 0.000 0.202 19 D C 1.806 178.107 176.300 0.002 0.000 0.970 19 D CA 1.378 55.366 54.000 -0.020 0.000 0.837 19 D CB -0.131 40.659 40.800 -0.017 0.000 0.981 19 D HN 0.205 nan 8.370 nan 0.000 0.475 20 A N 0.486 123.350 122.820 0.072 0.000 1.930 20 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 20 A C 2.114 179.744 177.584 0.077 0.000 1.175 20 A CA 1.345 53.457 52.037 0.124 0.000 0.627 20 A CB -0.511 18.567 19.000 0.130 0.000 0.815 20 A HN 0.183 nan 8.150 nan 0.000 0.443 21 Q N -1.066 118.756 119.800 0.037 0.000 2.016 21 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 21 Q C 2.367 178.373 176.000 0.011 0.000 0.978 21 Q CA 1.692 57.507 55.803 0.020 0.000 0.833 21 Q CB -0.167 28.569 28.738 -0.003 0.000 0.895 21 Q HN 0.673 nan 8.270 nan 0.000 0.427 22 R N 0.011 120.509 120.500 -0.004 0.000 2.105 22 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 22 R C 2.087 178.379 176.300 -0.013 0.000 1.135 22 R CA 1.452 57.542 56.100 -0.016 0.000 0.967 22 R CB -0.115 30.167 30.300 -0.030 0.000 0.861 22 R HN 0.177 nan 8.270 nan 0.000 0.442 23 M N 0.956 120.556 119.600 0.001 0.000 2.065 23 M HA -0.164 4.316 4.480 -0.000 0.000 0.259 23 M C 1.458 177.800 176.300 0.070 0.000 1.069 23 M CA 1.854 57.182 55.300 0.047 0.000 1.110 23 M CB -0.312 32.338 32.600 0.083 0.000 1.328 23 M HN 0.188 nan 8.290 nan 0.000 0.405 24 N N -0.120 118.622 118.700 0.069 0.000 2.135 24 N HA -0.027 4.713 4.740 -0.000 0.000 0.186 24 N C 1.861 177.346 175.510 -0.043 0.000 1.027 24 N CA 1.607 54.668 53.050 0.018 0.000 0.849 24 N CB -0.453 38.070 38.487 0.060 0.000 1.002 24 N HN 0.420 nan 8.380 nan 0.000 0.425 25 I N 0.851 121.410 120.570 -0.017 0.000 2.361 25 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 25 I C 2.238 178.330 176.117 -0.042 0.000 1.133 25 I CA 0.675 61.962 61.300 -0.022 0.000 1.413 25 I CB -0.113 37.881 38.000 -0.010 0.000 1.073 25 I HN 0.075 nan 8.210 nan 0.000 0.424 26 L N 0.799 121.993 121.223 -0.048 0.000 2.068 26 L HA -0.066 4.274 4.340 -0.000 0.000 0.204 26 L C 2.728 179.541 176.870 -0.096 0.000 1.076 26 L CA 1.529 56.336 54.840 -0.056 0.000 0.753 26 L CB -0.352 41.684 42.059 -0.040 0.000 0.910 26 L HN 0.142 nan 8.230 nan 0.000 0.439 27 A N -0.199 122.518 122.820 -0.172 0.000 1.948 27 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 27 A C 2.261 179.715 177.584 -0.218 0.000 1.177 27 A CA 1.810 53.653 52.037 -0.323 0.000 0.636 27 A CB -1.590 16.858 19.000 -0.921 0.000 0.815 27 A HN 0.559 nan 8.150 nan 0.000 0.449 28 G N -0.539 108.166 108.800 -0.158 0.000 2.453 28 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 28 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 28 G C 1.679 176.535 174.900 -0.073 0.000 1.201 28 G CA 0.804 45.846 45.100 -0.098 0.000 0.784 28 G HN 0.576 nan 8.290 nan 0.000 0.545 29 R N -0.255 120.207 120.500 -0.062 0.000 2.249 29 R HA 0.076 4.416 4.340 -0.000 0.000 0.230 29 R C 2.382 178.654 176.300 -0.047 0.000 1.121 29 R CA 0.611 56.682 56.100 -0.048 0.000 0.997 29 R CB -0.270 30.007 30.300 -0.040 0.000 0.867 29 R HN 0.401 nan 8.270 nan 0.000 0.465 30 I N 0.775 121.311 120.570 -0.056 0.000 2.400 30 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 30 I C 2.233 178.326 176.117 -0.040 0.000 1.109 30 I CA 0.900 62.173 61.300 -0.046 0.000 1.425 30 I CB -0.004 37.967 38.000 -0.047 0.000 1.094 30 I HN 0.131 nan 8.210 nan 0.000 0.425 31 I N -1.319 119.223 120.570 -0.047 0.000 2.928 31 I HA -0.016 4.154 4.170 -0.000 0.000 0.266 31 I C 2.467 178.564 176.117 -0.033 0.000 1.234 31 I CA 0.990 62.269 61.300 -0.035 0.000 1.483 31 I CB -0.669 37.310 38.000 -0.034 0.000 1.097 31 I HN 0.015 nan 8.210 nan 0.000 0.455 32 A N 1.988 124.785 122.820 -0.039 0.000 1.855 32 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 32 A C 2.171 179.735 177.584 -0.033 0.000 1.191 32 A CA 1.543 53.557 52.037 -0.038 0.000 0.613 32 A CB -0.692 18.283 19.000 -0.043 0.000 0.829 32 A HN 0.503 nan 8.150 nan 0.000 0.442 33 E N -0.900 119.281 120.200 -0.032 0.000 2.463 33 E HA -0.080 4.270 4.350 -0.000 0.000 0.201 33 E C 1.446 178.032 176.600 -0.023 0.000 1.045 33 E CA 1.022 57.405 56.400 -0.027 0.000 0.872 33 E CB -0.145 29.540 29.700 -0.026 0.000 0.797 33 E HN 0.519 nan 8.360 nan 0.000 0.538 34 T N -0.596 113.944 114.554 -0.023 0.000 3.067 34 T HA -0.036 4.314 4.350 -0.000 0.000 0.261 34 T C 1.532 176.222 174.700 -0.018 0.000 1.110 34 T CA 0.945 63.033 62.100 -0.019 0.000 1.113 34 T CB 0.385 69.243 68.868 -0.017 0.000 0.917 34 T HN 0.177 nan 8.240 nan 0.000 0.499 35 V N -2.259 117.643 119.914 -0.020 0.000 3.502 35 V HA 0.410 4.530 4.120 -0.000 0.000 0.288 35 V C 1.893 177.975 176.094 -0.021 0.000 1.461 35 V CA -0.241 62.048 62.300 -0.019 0.000 1.029 35 V CB -0.327 31.484 31.823 -0.019 0.000 0.843 35 V HN 0.104 nan 8.190 nan 0.000 0.438 36 R N 2.286 122.771 120.500 -0.024 0.000 2.174 36 R HA -0.184 4.156 4.340 -0.000 0.000 0.253 36 R C 2.415 178.702 176.300 -0.022 0.000 1.165 36 R CA 2.093 58.177 56.100 -0.026 0.000 0.984 36 R CB -0.358 29.926 30.300 -0.027 0.000 0.873 36 R HN 0.797 nan 8.270 nan 0.000 0.456 37 S N -0.847 114.842 115.700 -0.018 0.000 2.562 37 S HA -0.058 4.412 4.470 -0.000 0.000 0.221 37 S C 1.679 176.271 174.600 -0.012 0.000 0.975 37 S CA 1.044 59.235 58.200 -0.015 0.000 0.918 37 S CB 0.172 63.365 63.200 -0.012 0.000 0.772 37 S HN 0.418 nan 8.310 nan 0.000 0.531 38 T N -0.774 113.772 114.554 -0.013 0.000 3.086 38 T HA 0.348 4.698 4.350 -0.000 0.000 0.250 38 T C 0.350 175.043 174.700 -0.011 0.000 1.074 38 T CA -0.463 61.632 62.100 -0.009 0.000 0.988 38 T CB -0.479 68.384 68.868 -0.008 0.000 0.988 38 T HN 0.344 nan 8.240 nan 0.000 0.530 39 L N 2.431 123.644 121.223 -0.018 0.000 2.361 39 L HA 0.547 4.887 4.340 -0.000 0.000 0.278 39 L C 0.780 177.634 176.870 -0.027 0.000 1.113 39 L CA 1.256 56.082 54.840 -0.023 0.000 0.849 39 L CB -0.330 41.711 42.059 -0.030 0.000 1.155 39 L HN 0.674 nan 8.230 nan 0.000 0.452 40 G N 4.119 112.903 108.800 -0.026 0.000 2.661 40 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.685 40 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.685 40 G C -2.570 172.322 174.900 -0.014 0.000 1.298 40 G CA -0.464 44.614 45.100 -0.037 0.000 0.855 40 G HN 0.454 nan 8.290 nan 0.000 0.560 41 P HA 0.063 nan 4.420 nan 0.000 0.217 41 P C 1.265 178.612 177.300 0.079 0.000 1.151 41 P CA 1.173 64.312 63.100 0.064 0.000 0.828 41 P CB 0.143 31.919 31.700 0.126 0.000 0.788 42 K N 0.334 120.754 120.400 0.033 0.000 2.745 42 K HA 0.263 4.583 4.320 -0.000 0.000 0.223 42 K C 0.936 177.547 176.600 0.018 0.000 1.057 42 K CA 0.053 56.366 56.287 0.044 0.000 1.217 42 K CB -0.373 32.142 32.500 0.025 0.000 0.993 42 K HN 0.108 nan 8.250 nan 0.000 0.478 43 G N 0.406 109.215 108.800 0.015 0.000 2.461 43 G HA2 0.500 4.460 3.960 -0.000 0.000 0.329 43 G HA3 0.500 4.460 3.960 -0.000 0.000 0.329 43 G C -0.125 174.781 174.900 0.010 0.000 1.170 43 G CA -0.562 44.541 45.100 0.005 0.000 0.935 43 G HN -0.047 nan 8.290 nan 0.000 0.492 44 M N 0.438 120.041 119.600 0.004 0.000 2.573 44 M HA 0.379 4.859 4.480 -0.000 0.000 0.309 44 M C -0.922 175.378 176.300 0.000 0.000 1.202 44 M CA -0.686 54.617 55.300 0.004 0.000 0.975 44 M CB 1.808 34.409 32.600 0.001 0.000 1.600 44 M HN 0.350 nan 8.290 nan 0.000 0.479 45 D N 1.345 121.745 120.400 -0.000 0.000 2.229 45 D HA 0.358 4.998 4.640 -0.000 0.000 0.249 45 D C -0.361 175.933 176.300 -0.010 0.000 1.027 45 D CA -0.214 53.784 54.000 -0.004 0.000 0.923 45 D CB 1.160 41.958 40.800 -0.003 0.000 1.174 45 D HN 0.134 nan 8.370 nan 0.000 0.443 46 K N 1.451 121.843 120.400 -0.013 0.000 2.240 46 K HA 0.319 4.639 4.320 -0.000 0.000 0.271 46 K C -0.165 176.420 176.600 -0.026 0.000 1.018 46 K CA -0.511 55.766 56.287 -0.017 0.000 0.874 46 K CB 1.932 34.423 32.500 -0.015 0.000 1.098 46 K HN 0.475 nan 8.250 nan 0.000 0.458 47 M N 4.288 123.868 119.600 -0.032 0.000 2.188 47 M HA 0.281 4.761 4.480 -0.000 0.000 0.357 47 M C -1.211 175.063 176.300 -0.043 0.000 1.204 47 M CA -0.441 54.829 55.300 -0.049 0.000 1.095 47 M CB 0.526 33.092 32.600 -0.058 0.000 1.604 47 M HN 0.589 nan 8.290 nan 0.000 0.464 48 L N 6.447 127.639 121.223 -0.051 0.000 2.490 48 L HA 0.430 4.769 4.340 -0.000 0.000 0.256 48 L C -1.128 175.721 176.870 -0.034 0.000 1.089 48 L CA -0.627 54.193 54.840 -0.034 0.000 0.916 48 L CB 1.409 43.453 42.059 -0.024 0.000 1.188 48 L HN 0.596 nan 8.230 nan 0.000 0.476 49 V N 1.827 121.723 119.914 -0.030 0.000 3.185 49 V HA 0.226 4.346 4.120 -0.000 0.000 0.305 49 V C 0.257 176.345 176.094 -0.010 0.000 1.090 49 V CA -0.227 62.060 62.300 -0.021 0.000 1.107 49 V CB 1.230 33.043 31.823 -0.018 0.000 1.061 49 V HN 0.800 nan 8.190 nan 0.000 0.480 50 D N 1.066 121.464 120.400 -0.003 0.000 2.574 50 D HA 0.188 4.828 4.640 -0.000 0.000 0.210 50 D C 0.407 176.708 176.300 0.002 0.000 1.277 50 D CA 0.212 54.213 54.000 0.001 0.000 1.121 50 D CB -0.143 40.660 40.800 0.005 0.000 1.192 50 D HN 0.514 nan 8.370 nan 0.000 0.602 51 D N -1.430 118.973 120.400 0.005 0.000 2.369 51 D HA 0.098 4.738 4.640 -0.000 0.000 0.211 51 D C 0.937 177.240 176.300 0.006 0.000 1.077 51 D CA -0.021 53.981 54.000 0.005 0.000 0.842 51 D CB -0.180 40.623 40.800 0.005 0.000 0.947 51 D HN 0.264 nan 8.370 nan 0.000 0.509 52 L N -0.138 121.090 121.223 0.008 0.000 3.066 52 L HA 0.414 4.754 4.340 -0.000 0.000 0.265 52 L C 1.431 178.308 176.870 0.012 0.000 1.232 52 L CA 0.053 54.899 54.840 0.010 0.000 1.031 52 L CB 0.492 42.558 42.059 0.012 0.000 1.379 52 L HN 0.241 nan 8.230 nan 0.000 0.563 53 G N -0.359 108.447 108.800 0.009 0.000 2.205 53 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.269 53 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.269 53 G C 0.094 175.003 174.900 0.014 0.000 0.977 53 G CA 0.417 45.522 45.100 0.009 0.000 0.652 53 G HN 0.391 nan 8.290 nan 0.000 0.539 54 D N 0.156 120.566 120.400 0.018 0.000 2.346 54 D HA 0.421 5.061 4.640 -0.000 0.000 0.260 54 D C 0.538 176.846 176.300 0.013 0.000 1.252 54 D CA 0.168 54.186 54.000 0.031 0.000 0.895 54 D CB 1.530 42.350 40.800 0.032 0.000 1.097 54 D HN 0.332 nan 8.370 nan 0.000 0.489 55 V N 3.525 123.440 119.914 0.001 0.000 2.837 55 V HA 0.676 4.796 4.120 -0.000 0.000 0.310 55 V C -0.753 175.263 176.094 -0.130 0.000 1.059 55 V CA -0.434 61.812 62.300 -0.091 0.000 1.004 55 V CB 1.991 33.715 31.823 -0.166 0.000 1.045 55 V HN 0.235 nan 8.190 nan 0.000 0.465 56 V N 5.706 125.533 119.914 -0.146 0.000 2.737 56 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 56 V C -0.993 175.039 176.094 -0.103 0.000 1.163 56 V CA -0.289 61.943 62.300 -0.114 0.000 0.925 56 V CB 2.257 34.083 31.823 0.005 0.000 1.037 56 V HN 0.825 nan 8.190 nan 0.000 0.433 57 V N 5.536 125.381 119.914 -0.115 0.000 2.427 57 V HA 0.879 4.999 4.120 -0.000 0.000 0.286 57 V C 0.152 176.235 176.094 -0.018 0.000 1.034 57 V CA 0.013 62.272 62.300 -0.069 0.000 0.893 57 V CB 1.663 33.438 31.823 -0.080 0.000 0.982 57 V HN 1.002 nan 8.190 nan 0.000 0.452 58 T N 2.452 116.999 114.554 -0.012 0.000 2.830 58 T HA 0.265 4.615 4.350 -0.000 0.000 0.322 58 T C -0.002 174.697 174.700 -0.001 0.000 1.501 58 T CA -0.449 61.652 62.100 0.001 0.000 1.036 58 T CB 1.840 70.711 68.868 0.005 0.000 1.379 58 T HN 0.672 nan 8.240 nan 0.000 0.493 59 N N 1.478 120.180 118.700 0.003 0.000 2.184 59 N HA 0.047 4.787 4.740 -0.000 0.000 0.206 59 N C -0.246 175.265 175.510 0.001 0.000 1.151 59 N CA -0.118 52.933 53.050 0.002 0.000 0.878 59 N CB 0.473 38.964 38.487 0.007 0.000 1.014 59 N HN 0.744 nan 8.380 nan 0.000 0.512 60 D N 0.371 120.772 120.400 0.002 0.000 2.358 60 D HA 0.053 4.693 4.640 -0.000 0.000 0.258 60 D C 1.215 177.514 176.300 -0.002 0.000 1.223 60 D CA 0.028 54.029 54.000 0.001 0.000 0.886 60 D CB 1.221 42.024 40.800 0.004 0.000 1.120 60 D HN 0.316 nan 8.370 nan 0.000 0.482 61 G N 3.544 112.341 108.800 -0.005 0.000 2.631 61 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 61 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 61 G C 1.503 176.399 174.900 -0.007 0.000 1.214 61 G CA 0.964 46.059 45.100 -0.008 0.000 0.785 61 G HN 0.505 nan 8.290 nan 0.000 0.596 62 V N 1.513 121.424 119.914 -0.005 0.000 2.295 62 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 62 V C 3.366 179.459 176.094 -0.002 0.000 1.049 62 V CA 3.645 65.943 62.300 -0.004 0.000 1.024 62 V CB -0.968 30.853 31.823 -0.003 0.000 0.648 62 V HN 0.714 nan 8.190 nan 0.000 0.447 63 T N -1.334 113.220 114.554 0.000 0.000 2.684 63 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 63 T C 1.866 176.567 174.700 0.001 0.000 1.036 63 T CA 2.120 64.221 62.100 0.002 0.000 1.148 63 T CB -0.789 68.083 68.868 0.006 0.000 0.863 63 T HN 0.480 nan 8.240 nan 0.000 0.436 64 I N 1.241 121.810 120.570 -0.002 0.000 2.091 64 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 64 I C 2.742 178.857 176.117 -0.003 0.000 1.046 64 I CA 1.872 63.169 61.300 -0.004 0.000 1.306 64 I CB -0.533 37.463 38.000 -0.007 0.000 1.018 64 I HN 0.259 nan 8.210 nan 0.000 0.404 65 L N -0.213 121.008 121.223 -0.004 0.000 1.976 65 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 65 L C 2.821 179.691 176.870 0.001 0.000 1.071 65 L CA 1.426 56.264 54.840 -0.003 0.000 0.746 65 L CB -0.646 41.410 42.059 -0.005 0.000 0.890 65 L HN 0.159 nan 8.230 nan 0.000 0.432 66 R N 0.385 120.886 120.500 0.001 0.000 2.154 66 R HA -0.201 4.139 4.340 -0.000 0.000 0.236 66 R C 1.292 177.595 176.300 0.005 0.000 1.121 66 R CA 1.804 57.906 56.100 0.004 0.000 0.915 66 R CB -0.437 29.865 30.300 0.004 0.000 0.856 66 R HN 0.432 nan 8.270 nan 0.000 0.431 67 E N 1.187 121.390 120.200 0.004 0.000 2.424 67 E HA 0.024 4.374 4.350 -0.000 0.000 0.237 67 E C 0.041 176.643 176.600 0.003 0.000 1.381 67 E CA -0.031 56.372 56.400 0.005 0.000 1.587 67 E CB -0.170 29.534 29.700 0.006 0.000 1.398 67 E HN 0.322 nan 8.360 nan 0.000 0.439 68 M N -2.341 117.262 119.600 0.004 0.000 2.501 68 M HA 0.420 4.900 4.480 -0.000 0.000 0.293 68 M C -0.784 175.521 176.300 0.008 0.000 1.192 68 M CA -0.767 54.535 55.300 0.004 0.000 0.886 68 M CB 2.165 34.767 32.600 0.002 0.000 1.710 68 M HN -0.337 nan 8.290 nan 0.000 0.457 69 S N 2.468 118.174 115.700 0.010 0.000 3.024 69 S HA 0.308 4.778 4.470 -0.000 0.000 0.316 69 S C -0.235 174.377 174.600 0.020 0.000 1.197 69 S CA -0.515 57.693 58.200 0.014 0.000 1.097 69 S CB -0.757 62.450 63.200 0.013 0.000 1.471 69 S HN 0.454 nan 8.310 nan 0.000 0.543 70 V N 3.796 123.724 119.914 0.023 0.000 2.407 70 V HA 0.282 4.402 4.120 -0.000 0.000 0.278 70 V C 0.816 176.938 176.094 0.046 0.000 1.037 70 V CA -0.275 62.045 62.300 0.033 0.000 0.900 70 V CB 1.569 33.409 31.823 0.027 0.000 0.983 70 V HN 0.612 nan 8.190 nan 0.000 0.459 71 E N 1.294 121.534 120.200 0.067 0.000 2.306 71 E HA 0.083 4.433 4.350 -0.000 0.000 0.201 71 E C 0.777 177.439 176.600 0.102 0.000 0.874 71 E CA 0.080 56.520 56.400 0.065 0.000 0.972 71 E CB -0.078 29.649 29.700 0.045 0.000 0.957 71 E HN 0.714 nan 8.360 nan 0.000 0.492 72 H N 3.811 122.894 119.070 0.021 0.000 3.094 72 H HA -0.026 4.530 4.556 -0.000 0.000 0.320 72 H C -1.557 173.786 175.328 0.026 0.000 1.000 72 H CA -0.985 55.081 56.048 0.030 0.000 1.413 72 H CB 1.068 30.849 29.762 0.030 0.000 1.405 72 H HN -0.074 nan 8.280 nan 0.000 0.586 73 P HA -0.159 nan 4.420 nan 0.000 0.216 73 P C 1.186 178.631 177.300 0.242 0.000 1.153 73 P CA 1.815 65.047 63.100 0.221 0.000 0.848 73 P CB 0.044 31.812 31.700 0.114 0.000 0.787 74 A N 1.198 124.237 122.820 0.364 0.000 1.859 74 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 74 A C 2.604 180.177 177.584 -0.018 0.000 1.198 74 A CA 2.846 54.927 52.037 0.074 0.000 0.629 74 A CB -1.736 17.213 19.000 -0.085 0.000 0.830 74 A HN 0.235 nan 8.150 nan 0.000 0.446 75 A N -0.550 122.206 122.820 -0.106 0.000 1.940 75 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 75 A C 2.048 179.631 177.584 -0.001 0.000 1.176 75 A CA 2.030 54.026 52.037 -0.069 0.000 0.631 75 A CB -0.549 18.402 19.000 -0.081 0.000 0.814 75 A HN 0.573 nan 8.150 nan 0.000 0.446 76 K N -1.178 119.247 120.400 0.043 0.000 2.293 76 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 76 K C 1.645 178.260 176.600 0.025 0.000 1.045 76 K CA 1.708 58.019 56.287 0.039 0.000 0.933 76 K CB -0.234 32.299 32.500 0.054 0.000 0.736 76 K HN 0.593 nan 8.250 nan 0.000 0.463 77 M N -0.749 118.865 119.600 0.022 0.000 2.461 77 M HA 0.011 4.491 4.480 -0.000 0.000 0.255 77 M C 1.134 177.438 176.300 0.007 0.000 1.137 77 M CA 0.237 55.548 55.300 0.017 0.000 1.086 77 M CB 0.331 32.947 32.600 0.025 0.000 1.356 77 M HN 0.011 nan 8.290 nan 0.000 0.487 78 L N 0.526 121.746 121.223 -0.004 0.000 2.313 78 L HA 0.025 4.365 4.340 -0.000 0.000 0.214 78 L C 2.002 178.867 176.870 -0.009 0.000 1.119 78 L CA 1.386 56.219 54.840 -0.011 0.000 0.809 78 L CB -0.398 41.646 42.059 -0.025 0.000 0.933 78 L HN 0.256 nan 8.230 nan 0.000 0.449 79 I N -1.081 119.487 120.570 -0.004 0.000 2.830 79 I HA -0.152 4.018 4.170 -0.000 0.000 0.263 79 I C 2.055 178.172 176.117 0.001 0.000 1.230 79 I CA 0.339 61.638 61.300 -0.002 0.000 1.480 79 I CB -0.188 37.813 38.000 0.002 0.000 1.095 79 I HN 0.271 nan 8.210 nan 0.000 0.455 80 E N 0.825 121.027 120.200 0.004 0.000 2.051 80 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 80 E C 2.457 179.058 176.600 0.002 0.000 0.991 80 E CA 1.165 57.569 56.400 0.005 0.000 0.799 80 E CB -0.369 29.337 29.700 0.009 0.000 0.748 80 E HN 0.303 nan 8.360 nan 0.000 0.449 81 V N 1.848 121.761 119.914 -0.001 0.000 2.287 81 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 81 V C 2.502 178.593 176.094 -0.006 0.000 1.053 81 V CA 2.045 64.343 62.300 -0.004 0.000 1.027 81 V CB -0.945 30.873 31.823 -0.009 0.000 0.646 81 V HN 0.273 nan 8.190 nan 0.000 0.447 82 A N -0.840 121.975 122.820 -0.008 0.000 1.972 82 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 82 A C 2.329 179.910 177.584 -0.005 0.000 1.169 82 A CA 2.019 54.051 52.037 -0.008 0.000 0.635 82 A CB -0.452 18.542 19.000 -0.009 0.000 0.810 82 A HN 0.516 nan 8.150 nan 0.000 0.446 83 K N -0.737 119.662 120.400 -0.002 0.000 2.217 83 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 83 K C 1.975 178.575 176.600 -0.000 0.000 1.051 83 K CA 1.587 57.873 56.287 -0.000 0.000 0.952 83 K CB -0.061 32.440 32.500 0.002 0.000 0.736 83 K HN 0.682 nan 8.250 nan 0.000 0.453 84 T N -2.561 111.993 114.554 -0.000 0.000 3.037 84 T HA -0.037 4.313 4.350 -0.000 0.000 0.252 84 T C 1.731 176.430 174.700 -0.002 0.000 1.073 84 T CA 0.187 62.287 62.100 -0.000 0.000 1.091 84 T CB 0.241 69.110 68.868 0.002 0.000 0.935 84 T HN 0.049 nan 8.240 nan 0.000 0.488 85 Q N 2.487 122.285 119.800 -0.003 0.000 2.050 85 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 85 Q C 2.206 178.204 176.000 -0.004 0.000 0.980 85 Q CA 2.418 58.218 55.803 -0.005 0.000 0.840 85 Q CB -0.460 28.273 28.738 -0.008 0.000 0.898 85 Q HN 0.848 nan 8.270 nan 0.000 0.424 86 E N -0.542 119.656 120.200 -0.004 0.000 2.153 86 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 86 E C 1.784 178.382 176.600 -0.003 0.000 0.988 86 E CA 1.425 57.824 56.400 -0.003 0.000 0.811 86 E CB -0.175 29.524 29.700 -0.003 0.000 0.746 86 E HN 0.148 nan 8.360 nan 0.000 0.466 87 K N 0.525 120.924 120.400 -0.002 0.000 2.103 87 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 87 K C 1.598 178.197 176.600 -0.002 0.000 1.052 87 K CA 1.335 57.621 56.287 -0.002 0.000 0.945 87 K CB 0.313 32.812 32.500 -0.001 0.000 0.722 87 K HN 0.097 nan 8.250 nan 0.000 0.443 88 E N -0.744 119.454 120.200 -0.002 0.000 2.481 88 E HA 0.094 4.444 4.350 -0.000 0.000 0.198 88 E C 0.630 177.228 176.600 -0.003 0.000 1.027 88 E CA 0.173 56.571 56.400 -0.002 0.000 0.900 88 E CB 1.017 30.715 29.700 -0.002 0.000 0.993 88 E HN 0.088 nan 8.360 nan 0.000 0.482 89 V N -1.933 117.979 119.914 -0.003 0.000 5.048 89 V HA 0.423 4.543 4.120 -0.000 0.000 0.133 89 V C 1.299 177.391 176.094 -0.003 0.000 1.124 89 V CA 0.392 62.690 62.300 -0.004 0.000 1.228 89 V CB 0.715 32.535 31.823 -0.004 0.000 1.711 89 V HN 0.213 nan 8.190 nan 0.000 0.586 90 G N 0.012 108.810 108.800 -0.004 0.000 3.514 90 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.197 90 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.197 90 G C -0.365 174.534 174.900 -0.003 0.000 1.098 90 G CA 0.356 45.454 45.100 -0.003 0.000 0.884 90 G HN 0.537 nan 8.290 nan 0.000 0.433 91 D N -0.278 120.120 120.400 -0.003 0.000 2.392 91 D HA 0.547 5.187 4.640 -0.000 0.000 0.246 91 D C 1.115 177.411 176.300 -0.007 0.000 1.013 91 D CA 0.907 54.905 54.000 -0.004 0.000 0.993 91 D CB 1.132 41.931 40.800 -0.002 0.000 1.219 91 D HN 1.373 nan 8.370 nan 0.000 0.538 92 G N 0.288 109.082 108.800 -0.009 0.000 2.246 92 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.273 92 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.273 92 G C 0.904 175.795 174.900 -0.014 0.000 1.055 92 G CA 1.211 46.303 45.100 -0.013 0.000 0.851 92 G HN 0.636 nan 8.290 nan 0.000 0.500 93 T N -3.858 110.689 114.554 -0.012 0.000 2.809 93 T HA -0.049 4.301 4.350 -0.000 0.000 0.260 93 T C 2.253 176.942 174.700 -0.017 0.000 1.039 93 T CA 2.184 64.276 62.100 -0.013 0.000 1.141 93 T CB -0.414 68.448 68.868 -0.009 0.000 0.869 93 T HN 0.260 nan 8.240 nan 0.000 0.437 94 T N 2.878 117.421 114.554 -0.017 0.000 2.684 94 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 94 T C 2.416 177.099 174.700 -0.029 0.000 1.036 94 T CA 2.281 64.368 62.100 -0.022 0.000 1.148 94 T CB -1.056 67.800 68.868 -0.020 0.000 0.863 94 T HN 0.818 nan 8.240 nan 0.000 0.436 95 T N 0.797 115.333 114.554 -0.030 0.000 2.867 95 T HA 0.082 4.432 4.350 -0.000 0.000 0.268 95 T C 2.217 176.891 174.700 -0.045 0.000 1.057 95 T CA 1.032 63.109 62.100 -0.039 0.000 1.136 95 T CB -0.486 68.360 68.868 -0.037 0.000 0.874 95 T HN 0.353 nan 8.240 nan 0.000 0.466 96 A N 1.045 123.843 122.820 -0.037 0.000 1.898 96 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 96 A C 2.613 180.170 177.584 -0.045 0.000 1.181 96 A CA 1.278 53.292 52.037 -0.039 0.000 0.620 96 A CB -0.996 17.988 19.000 -0.026 0.000 0.819 96 A HN 0.388 nan 8.150 nan 0.000 0.442 97 V N -0.376 119.515 119.914 -0.038 0.000 2.307 97 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 97 V C 2.602 178.667 176.094 -0.049 0.000 1.045 97 V CA 1.939 64.216 62.300 -0.038 0.000 1.024 97 V CB -0.597 31.208 31.823 -0.030 0.000 0.651 97 V HN 0.365 nan 8.190 nan 0.000 0.449 98 V N -0.381 119.503 119.914 -0.051 0.000 2.295 98 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 98 V C 2.430 178.478 176.094 -0.077 0.000 1.049 98 V CA 2.029 64.295 62.300 -0.057 0.000 1.024 98 V CB -0.462 31.329 31.823 -0.052 0.000 0.648 98 V HN 0.398 nan 8.190 nan 0.000 0.447 99 V N 0.282 120.141 119.914 -0.093 0.000 2.332 99 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 99 V C 2.705 178.707 176.094 -0.153 0.000 1.055 99 V CA 2.053 64.270 62.300 -0.139 0.000 1.038 99 V CB -1.125 30.604 31.823 -0.156 0.000 0.651 99 V HN 0.579 nan 8.190 nan 0.000 0.450 100 A N 0.278 123.030 122.820 -0.113 0.000 1.978 100 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 100 A C 2.378 179.917 177.584 -0.075 0.000 1.170 100 A CA 1.995 53.977 52.037 -0.093 0.000 0.636 100 A CB -1.051 17.915 19.000 -0.057 0.000 0.810 100 A HN 0.546 nan 8.150 nan 0.000 0.448 101 G N -0.708 108.050 108.800 -0.070 0.000 2.394 101 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.214 101 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.214 101 G C 1.429 176.294 174.900 -0.059 0.000 1.176 101 G CA 1.100 46.166 45.100 -0.056 0.000 0.786 101 G HN 0.556 nan 8.290 nan 0.000 0.533 102 E N 0.018 120.168 120.200 -0.083 0.000 2.347 102 E HA 0.092 4.442 4.350 -0.000 0.000 0.196 102 E C 2.353 178.893 176.600 -0.100 0.000 1.008 102 E CA 0.272 56.620 56.400 -0.087 0.000 0.852 102 E CB -0.234 29.404 29.700 -0.104 0.000 0.783 102 E HN 0.455 nan 8.360 nan 0.000 0.505 103 L N -0.386 120.754 121.223 -0.137 0.000 2.131 103 L HA -0.046 4.294 4.340 -0.000 0.000 0.206 103 L C 2.171 179.090 176.870 0.081 0.000 1.087 103 L CA 0.558 55.318 54.840 -0.132 0.000 0.767 103 L CB -0.229 41.643 42.059 -0.313 0.000 0.917 103 L HN 0.206 nan 8.230 nan 0.000 0.441 104 L N -0.507 120.740 121.223 0.040 0.000 2.093 104 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 104 L C 2.812 179.703 176.870 0.035 0.000 1.085 104 L CA 1.138 56.009 54.840 0.053 0.000 0.755 104 L CB -0.491 41.576 42.059 0.014 0.000 0.904 104 L HN 0.263 nan 8.230 nan 0.000 0.435 105 R N 0.489 120.995 120.500 0.010 0.000 2.070 105 R HA -0.166 4.174 4.340 -0.000 0.000 0.233 105 R C 2.301 178.615 176.300 0.023 0.000 1.137 105 R CA 1.372 57.474 56.100 0.004 0.000 0.945 105 R CB 0.009 30.302 30.300 -0.013 0.000 0.845 105 R HN 0.137 nan 8.270 nan 0.000 0.430 106 K N 0.200 120.624 120.400 0.041 0.000 2.211 106 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 106 K C 1.928 178.585 176.600 0.094 0.000 1.050 106 K CA 1.118 57.446 56.287 0.069 0.000 0.945 106 K CB -0.182 32.370 32.500 0.086 0.000 0.732 106 K HN 0.308 nan 8.250 nan 0.000 0.451 107 A N 2.110 125.002 122.820 0.120 0.000 1.972 107 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 107 A C 1.982 179.563 177.584 -0.004 0.000 1.169 107 A CA 1.721 53.785 52.037 0.046 0.000 0.635 107 A CB -0.342 18.689 19.000 0.052 0.000 0.810 107 A HN 0.561 nan 8.150 nan 0.000 0.446 108 E N -0.181 120.023 120.200 0.007 0.000 2.442 108 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 108 E C 1.280 177.876 176.600 -0.006 0.000 1.030 108 E CA 0.687 57.083 56.400 -0.008 0.000 0.869 108 E CB -0.256 29.439 29.700 -0.008 0.000 0.857 108 E HN 0.701 nan 8.360 nan 0.000 0.505 109 E N 0.962 121.164 120.200 0.004 0.000 2.204 109 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 109 E C 1.910 178.510 176.600 0.001 0.000 0.989 109 E CA 0.839 57.242 56.400 0.005 0.000 0.824 109 E CB 0.030 29.739 29.700 0.015 0.000 0.756 109 E HN 0.403 nan 8.360 nan 0.000 0.477 110 L N -0.006 121.214 121.223 -0.005 0.000 2.298 110 L HA 0.012 4.352 4.340 -0.000 0.000 0.209 110 L C 2.159 179.016 176.870 -0.023 0.000 1.084 110 L CA 0.313 55.145 54.840 -0.013 0.000 0.816 110 L CB -0.126 41.916 42.059 -0.028 0.000 0.967 110 L HN 0.119 nan 8.230 nan 0.000 0.460 111 L N -0.418 120.787 121.223 -0.031 0.000 2.156 111 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 111 L C 1.607 178.460 176.870 -0.029 0.000 1.095 111 L CA 0.870 55.687 54.840 -0.038 0.000 0.770 111 L CB -0.294 41.738 42.059 -0.044 0.000 0.914 111 L HN 0.219 nan 8.230 nan 0.000 0.439 112 D N -0.179 120.208 120.400 -0.021 0.000 2.349 112 D HA -0.059 4.581 4.640 -0.000 0.000 0.224 112 D C 1.251 177.544 176.300 -0.012 0.000 1.029 112 D CA 0.603 54.593 54.000 -0.016 0.000 0.879 112 D CB 0.342 41.134 40.800 -0.013 0.000 0.906 112 D HN 0.470 nan 8.370 nan 0.000 0.528 113 Q N 0.088 119.882 119.800 -0.011 0.000 2.172 113 Q HA 0.113 4.453 4.340 -0.000 0.000 0.217 113 Q C -0.210 175.787 176.000 -0.006 0.000 0.832 113 Q CA -0.212 55.587 55.803 -0.006 0.000 1.010 113 Q CB 0.719 29.456 28.738 -0.001 0.000 1.133 113 Q HN 0.118 nan 8.270 nan 0.000 0.489 114 N N -0.263 118.430 118.700 -0.012 0.000 2.776 114 N HA -0.139 4.601 4.740 -0.000 0.000 0.250 114 N C -0.445 175.064 175.510 -0.000 0.000 1.112 114 N CA 0.474 53.517 53.050 -0.012 0.000 0.733 114 N CB -1.653 36.832 38.487 -0.004 0.000 1.097 114 N HN 0.048 nan 8.380 nan 0.000 0.558 115 V N 1.521 121.433 119.914 -0.002 0.000 2.637 115 V HA 0.011 4.131 4.120 -0.000 0.000 0.296 115 V C 1.239 177.347 176.094 0.023 0.000 1.046 115 V CA -0.184 62.126 62.300 0.016 0.000 1.066 115 V CB 1.155 32.977 31.823 -0.001 0.000 0.968 115 V HN 0.254 nan 8.190 nan 0.000 0.483 116 H N 7.185 126.238 119.070 -0.027 0.000 2.848 116 H HA 0.110 4.666 4.556 -0.000 0.000 0.341 116 H C -1.711 173.594 175.328 -0.038 0.000 1.060 116 H CA -1.546 54.487 56.048 -0.026 0.000 1.444 116 H CB 1.847 31.598 29.762 -0.019 0.000 1.446 116 H HN 0.375 nan 8.280 nan 0.000 0.583 117 P HA -0.164 nan 4.420 nan 0.000 0.216 117 P C 1.380 178.756 177.300 0.126 0.000 1.153 117 P CA 2.484 65.589 63.100 0.008 0.000 0.858 117 P CB 0.017 31.686 31.700 -0.053 0.000 0.789 118 T N -3.652 111.125 114.554 0.372 0.000 2.962 118 T HA -0.068 4.282 4.350 -0.000 0.000 0.270 118 T C 1.686 176.420 174.700 0.056 0.000 1.088 118 T CA 0.735 62.930 62.100 0.158 0.000 1.127 118 T CB -0.760 68.144 68.868 0.060 0.000 0.883 118 T HN -0.084 nan 8.240 nan 0.000 0.493 119 I N 1.036 121.647 120.570 0.068 0.000 2.333 119 I HA 0.016 4.185 4.170 -0.000 0.000 0.246 119 I C 2.650 178.757 176.117 -0.018 0.000 1.106 119 I CA 0.320 61.628 61.300 0.015 0.000 1.411 119 I CB -1.107 36.908 38.000 0.026 0.000 1.082 119 I HN 0.162 nan 8.210 nan 0.000 0.420 120 V N 0.650 120.528 119.914 -0.059 0.000 2.255 120 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 120 V C 2.618 178.573 176.094 -0.232 0.000 1.051 120 V CA 1.848 64.020 62.300 -0.212 0.000 1.018 120 V CB -0.738 30.910 31.823 -0.292 0.000 0.641 120 V HN 0.318 nan 8.190 nan 0.000 0.445 121 V N -0.078 119.769 119.914 -0.111 0.000 2.720 121 V HA -0.229 3.891 4.120 -0.000 0.000 0.256 121 V C 2.387 178.518 176.094 0.062 0.000 1.082 121 V CA 2.440 64.740 62.300 -0.000 0.000 1.101 121 V CB -0.489 31.356 31.823 0.037 0.000 0.693 121 V HN 0.622 nan 8.190 nan 0.000 0.479 122 K N -0.061 120.359 120.400 0.033 0.000 2.007 122 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 122 K C 2.058 178.701 176.600 0.071 0.000 1.047 122 K CA 1.589 57.902 56.287 0.043 0.000 0.937 122 K CB -0.669 31.843 32.500 0.021 0.000 0.718 122 K HN 0.530 nan 8.250 nan 0.000 0.438 123 G N -0.495 108.351 108.800 0.076 0.000 2.448 123 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 123 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 123 G C 1.320 176.361 174.900 0.235 0.000 1.135 123 G CA 0.317 45.492 45.100 0.123 0.000 0.784 123 G HN 0.352 nan 8.290 nan 0.000 0.543 124 Y N 0.092 120.443 120.300 0.086 0.000 2.200 124 Y HA -0.175 4.375 4.550 -0.000 0.000 0.290 124 Y C 3.165 179.062 175.900 -0.006 0.000 1.137 124 Y CA 1.207 59.401 58.100 0.156 0.000 1.163 124 Y CB 0.064 38.663 38.460 0.231 0.000 0.988 124 Y HN 0.236 nan 8.280 nan 0.000 0.518 125 Q N 0.375 120.286 119.800 0.185 0.000 2.061 125 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 125 Q C 2.413 178.383 176.000 -0.050 0.000 0.984 125 Q CA 1.483 57.319 55.803 0.055 0.000 0.846 125 Q CB -0.235 28.540 28.738 0.061 0.000 0.902 125 Q HN 0.484 nan 8.270 nan 0.000 0.421 126 A N 0.613 123.423 122.820 -0.017 0.000 1.917 126 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 126 A C 2.197 179.666 177.584 -0.192 0.000 1.182 126 A CA 1.989 54.008 52.037 -0.030 0.000 0.633 126 A CB -0.872 18.178 19.000 0.084 0.000 0.819 126 A HN 0.562 nan 8.150 nan 0.000 0.448 127 A N -0.679 121.941 122.820 -0.333 0.000 1.930 127 A HA 0.359 4.679 4.320 -0.000 0.000 0.215 127 A C 2.455 179.500 177.584 -0.898 0.000 1.176 127 A CA 1.517 53.160 52.037 -0.658 0.000 0.632 127 A CB -0.873 17.648 19.000 -0.797 0.000 0.819 127 A HN 1.027 nan 8.150 nan 0.000 0.445 128 A N -0.545 121.743 122.820 -0.887 0.000 1.940 128 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 128 A C 2.137 179.555 177.584 -0.277 0.000 1.176 128 A CA 2.168 53.913 52.037 -0.487 0.000 0.631 128 A CB -0.474 18.433 19.000 -0.155 0.000 0.814 128 A HN 0.527 nan 8.150 nan 0.000 0.446 129 Q N 0.137 119.786 119.800 -0.251 0.000 2.020 129 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 129 Q C 2.041 177.905 176.000 -0.227 0.000 0.982 129 Q CA 2.441 58.136 55.803 -0.179 0.000 0.838 129 Q CB -0.312 28.345 28.738 -0.134 0.000 0.899 129 Q HN 0.469 nan 8.270 nan 0.000 0.423 130 K N 0.037 120.218 120.400 -0.365 0.000 2.026 130 K HA -0.006 4.314 4.320 -0.000 0.000 0.208 130 K C 1.818 178.237 176.600 -0.300 0.000 1.048 130 K CA 1.731 57.752 56.287 -0.443 0.000 0.929 130 K CB -0.924 31.048 32.500 -0.880 0.000 0.713 130 K HN 0.263 nan 8.250 nan 0.000 0.439 131 A N 0.436 123.082 122.820 -0.289 0.000 2.125 131 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 131 A C 1.911 179.433 177.584 -0.103 0.000 1.156 131 A CA 1.279 53.219 52.037 -0.163 0.000 0.671 131 A CB -0.415 18.522 19.000 -0.106 0.000 0.794 131 A HN 0.360 nan 8.150 nan 0.000 0.459 132 Q N -0.011 119.721 119.800 -0.114 0.000 2.137 132 Q HA -0.135 4.205 4.340 -0.000 0.000 0.198 132 Q C 1.918 177.881 176.000 -0.062 0.000 0.960 132 Q CA 1.660 57.421 55.803 -0.071 0.000 0.847 132 Q CB -0.255 28.444 28.738 -0.064 0.000 0.915 132 Q HN 1.003 nan 8.270 nan 0.000 0.448 133 E N -0.355 119.797 120.200 -0.079 0.000 2.400 133 E HA -0.005 4.345 4.350 -0.000 0.000 0.195 133 E C 1.922 178.490 176.600 -0.053 0.000 1.012 133 E CA 0.021 56.386 56.400 -0.058 0.000 0.875 133 E CB -0.196 29.469 29.700 -0.059 0.000 0.859 133 E HN 0.201 nan 8.360 nan 0.000 0.498 134 L N 0.660 121.841 121.223 -0.071 0.000 2.217 134 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 134 L C 2.304 179.154 176.870 -0.032 0.000 1.107 134 L CA 0.639 55.446 54.840 -0.054 0.000 0.783 134 L CB -0.009 42.004 42.059 -0.076 0.000 0.919 134 L HN 0.186 nan 8.230 nan 0.000 0.442 135 L N -1.137 120.066 121.223 -0.033 0.000 2.127 135 L HA -0.133 4.207 4.340 -0.000 0.000 0.203 135 L C 2.458 179.320 176.870 -0.014 0.000 1.080 135 L CA 0.796 55.625 54.840 -0.019 0.000 0.768 135 L CB -0.285 41.763 42.059 -0.018 0.000 0.924 135 L HN 0.077 nan 8.230 nan 0.000 0.444 136 K N -0.225 120.164 120.400 -0.018 0.000 2.107 136 K HA -0.269 4.051 4.320 -0.000 0.000 0.211 136 K C 2.041 178.636 176.600 -0.008 0.000 1.049 136 K CA 2.312 58.591 56.287 -0.013 0.000 0.927 136 K CB -0.369 32.121 32.500 -0.017 0.000 0.714 136 K HN 0.476 nan 8.250 nan 0.000 0.452 137 T N -0.795 113.754 114.554 -0.008 0.000 3.043 137 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 137 T C 1.523 176.225 174.700 0.002 0.000 1.094 137 T CA 0.649 62.748 62.100 -0.003 0.000 1.127 137 T CB -0.285 68.581 68.868 -0.003 0.000 0.905 137 T HN 0.395 nan 8.240 nan 0.000 0.490 138 I N -0.637 119.935 120.570 0.003 0.000 3.874 138 I HA 0.689 4.859 4.170 -0.000 0.000 0.331 138 I C 0.233 176.356 176.117 0.010 0.000 1.489 138 I CA -1.104 60.202 61.300 0.011 0.000 1.187 138 I CB -0.314 37.697 38.000 0.017 0.000 1.150 138 I HN 0.160 nan 8.210 nan 0.000 0.412 139 A N 1.502 124.325 122.820 0.005 0.000 2.273 139 A HA 0.563 4.883 4.320 -0.000 0.000 0.315 139 A C 0.244 177.831 177.584 0.005 0.000 1.256 139 A CA -0.458 51.582 52.037 0.005 0.000 0.851 139 A CB 0.194 19.195 19.000 0.001 0.000 1.172 139 A HN 0.559 nan 8.150 nan 0.000 0.508 140 C N 2.249 121.553 119.300 0.006 0.000 2.679 140 C HA 0.262 4.722 4.460 -0.000 0.000 0.417 140 C C 0.863 175.855 174.990 0.004 0.000 1.302 140 C CA -0.669 58.353 59.018 0.006 0.000 1.973 140 C CB -0.597 27.147 27.740 0.007 0.000 2.715 140 C HN 0.771 nan 8.230 nan 0.000 0.628 141 E N 0.558 120.760 120.200 0.004 0.000 2.318 141 E HA 0.657 5.007 4.350 -0.000 0.000 0.265 141 E C -0.540 176.062 176.600 0.003 0.000 1.069 141 E CA -0.085 56.317 56.400 0.003 0.000 0.893 141 E CB 1.525 31.227 29.700 0.002 0.000 1.076 141 E HN 0.514 nan 8.360 nan 0.000 0.414 142 V N -0.095 119.821 119.914 0.003 0.000 3.120 142 V HA 0.412 4.532 4.120 -0.000 0.000 0.303 142 V C 0.037 176.133 176.094 0.003 0.000 1.238 142 V CA -1.076 61.226 62.300 0.003 0.000 1.008 142 V CB 2.313 34.138 31.823 0.003 0.000 1.064 142 V HN 0.757 nan 8.190 nan 0.000 0.434 143 G N 1.095 109.897 108.800 0.003 0.000 2.370 143 G HA2 0.493 4.453 3.960 -0.000 0.000 0.272 143 G HA3 0.493 4.453 3.960 -0.000 0.000 0.272 143 G C 0.987 175.888 174.900 0.002 0.000 1.208 143 G CA 0.256 45.357 45.100 0.003 0.000 0.856 143 G HN 1.286 nan 8.290 nan 0.000 0.500 144 A N 1.721 124.542 122.820 0.002 0.000 2.194 144 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 144 A C 1.786 179.371 177.584 0.001 0.000 1.162 144 A CA 1.753 53.791 52.037 0.002 0.000 0.674 144 A CB -0.040 18.961 19.000 0.002 0.000 0.789 144 A HN 0.640 nan 8.150 nan 0.000 0.470 145 Q N -1.140 118.661 119.800 0.002 0.000 2.093 145 Q HA 0.056 4.396 4.340 -0.000 0.000 0.217 145 Q C -0.542 175.459 176.000 0.002 0.000 0.785 145 Q CA -0.264 55.540 55.803 0.002 0.000 1.038 145 Q CB 0.579 29.319 28.738 0.003 0.000 1.190 145 Q HN 0.428 nan 8.270 nan 0.000 0.468 146 D N 1.521 121.923 120.400 0.003 0.000 2.619 146 D HA -0.087 4.553 4.640 -0.000 0.000 0.238 146 D C 0.634 176.935 176.300 0.003 0.000 1.158 146 D CA 0.541 54.542 54.000 0.003 0.000 1.251 146 D CB 0.233 41.035 40.800 0.003 0.000 1.134 146 D HN 0.152 nan 8.370 nan 0.000 0.487 147 K N 1.187 121.588 120.400 0.002 0.000 2.585 147 K HA -0.130 4.190 4.320 -0.000 0.000 0.194 147 K C 1.582 178.184 176.600 0.003 0.000 1.037 147 K CA 0.577 56.865 56.287 0.002 0.000 0.964 147 K CB 0.295 32.795 32.500 0.001 0.000 0.787 147 K HN 0.389 nan 8.250 nan 0.000 0.488 148 E N 0.345 120.548 120.200 0.003 0.000 2.099 148 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 148 E C 1.808 178.411 176.600 0.005 0.000 0.962 148 E CA 0.474 56.876 56.400 0.004 0.000 0.826 148 E CB 0.064 29.767 29.700 0.004 0.000 0.788 148 E HN 0.274 nan 8.360 nan 0.000 0.461 149 I N 1.442 122.015 120.570 0.005 0.000 2.315 149 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 149 I C 2.467 178.588 176.117 0.006 0.000 1.117 149 I CA 0.619 61.923 61.300 0.006 0.000 1.404 149 I CB -0.076 37.927 38.000 0.005 0.000 1.071 149 I HN 0.187 nan 8.210 nan 0.000 0.419 150 L N 0.007 121.232 121.223 0.004 0.000 2.129 150 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 150 L C 2.321 179.194 176.870 0.004 0.000 1.087 150 L CA 1.543 56.385 54.840 0.003 0.000 0.757 150 L CB -0.890 41.169 42.059 0.001 0.000 0.896 150 L HN 0.296 nan 8.230 nan 0.000 0.434 151 T N -1.330 113.227 114.554 0.005 0.000 3.054 151 T HA -0.054 4.296 4.350 -0.000 0.000 0.259 151 T C 1.856 176.562 174.700 0.009 0.000 1.092 151 T CA 0.568 62.671 62.100 0.006 0.000 1.121 151 T CB 0.162 69.034 68.868 0.005 0.000 0.912 151 T HN 0.265 nan 8.240 nan 0.000 0.489 152 K N 0.729 121.135 120.400 0.010 0.000 2.155 152 K HA 0.178 4.498 4.320 -0.000 0.000 0.203 152 K C 1.948 178.556 176.600 0.014 0.000 1.052 152 K CA 0.767 57.063 56.287 0.014 0.000 0.948 152 K CB -0.064 32.445 32.500 0.014 0.000 0.728 152 K HN 0.297 nan 8.250 nan 0.000 0.448 153 I N 0.649 121.225 120.570 0.011 0.000 2.286 153 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 153 I C 2.200 178.323 176.117 0.010 0.000 1.104 153 I CA 0.783 62.089 61.300 0.010 0.000 1.397 153 I CB -0.080 37.924 38.000 0.006 0.000 1.072 153 I HN 0.110 nan 8.210 nan 0.000 0.417 154 A N -0.339 122.486 122.820 0.009 0.000 2.119 154 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 154 A C 2.119 179.710 177.584 0.013 0.000 1.153 154 A CA 1.093 53.135 52.037 0.009 0.000 0.692 154 A CB -0.348 18.656 19.000 0.006 0.000 0.799 154 A HN 0.401 nan 8.150 nan 0.000 0.458 155 M N -1.534 118.075 119.600 0.016 0.000 2.486 155 M HA 0.050 4.530 4.480 -0.000 0.000 0.264 155 M C 1.769 178.087 176.300 0.030 0.000 1.125 155 M CA 1.516 56.829 55.300 0.022 0.000 1.144 155 M CB 0.038 32.651 32.600 0.022 0.000 1.353 155 M HN 0.216 nan 8.290 nan 0.000 0.466 156 T N -0.839 113.732 114.554 0.028 0.000 2.995 156 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 156 T C 1.873 176.588 174.700 0.025 0.000 1.091 156 T CA 1.459 63.577 62.100 0.031 0.000 1.128 156 T CB -0.163 68.718 68.868 0.022 0.000 0.891 156 T HN 0.451 nan 8.240 nan 0.000 0.492 157 S N 0.710 116.422 115.700 0.019 0.000 2.348 157 S HA 0.042 4.512 4.470 -0.000 0.000 0.219 157 S C 2.025 176.636 174.600 0.019 0.000 1.033 157 S CA 0.562 58.770 58.200 0.015 0.000 0.974 157 S CB -0.343 62.863 63.200 0.010 0.000 0.868 157 S HN 0.448 nan 8.310 nan 0.000 0.459 158 I N 1.412 121.995 120.570 0.021 0.000 2.163 158 I HA -0.119 4.051 4.170 -0.000 0.000 0.243 158 I C 1.155 177.293 176.117 0.034 0.000 1.085 158 I CA 0.703 62.017 61.300 0.023 0.000 1.347 158 I CB -1.040 36.972 38.000 0.020 0.000 1.044 158 I HN 0.273 nan 8.210 nan 0.000 0.408 159 T N 0.454 115.037 114.554 0.047 0.000 2.855 159 T HA 0.218 4.568 4.350 -0.000 0.000 0.322 159 T C 1.166 175.900 174.700 0.056 0.000 1.088 159 T CA 0.850 62.995 62.100 0.074 0.000 1.104 159 T CB 0.891 69.826 68.868 0.112 0.000 0.996 159 T HN 0.671 nan 8.240 nan 0.000 0.549 160 G N 1.128 109.965 108.800 0.063 0.000 2.320 160 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 160 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 160 G C 0.694 175.610 174.900 0.026 0.000 1.033 160 G CA 0.268 45.387 45.100 0.031 0.000 0.620 160 G HN 0.630 nan 8.290 nan 0.000 0.517 161 K N 1.468 121.887 120.400 0.030 0.000 2.596 161 K HA 0.455 4.775 4.320 -0.000 0.000 0.211 161 K C 0.883 177.504 176.600 0.035 0.000 1.046 161 K CA 0.546 56.849 56.287 0.026 0.000 1.202 161 K CB 0.012 32.525 32.500 0.021 0.000 0.925 161 K HN 1.562 nan 8.250 nan 0.000 0.486 162 G N 0.313 109.144 108.800 0.051 0.000 3.055 162 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 162 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 162 G C 0.464 175.408 174.900 0.074 0.000 1.087 162 G CA -0.475 44.662 45.100 0.063 0.000 0.779 162 G HN 0.149 nan 8.290 nan 0.000 0.599 163 A N 1.270 124.154 122.820 0.106 0.000 2.125 163 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 163 A C 2.114 179.701 177.584 0.005 0.000 1.156 163 A CA 2.144 54.225 52.037 0.074 0.000 0.671 163 A CB -0.134 18.875 19.000 0.015 0.000 0.794 163 A HN 1.360 nan 8.150 nan 0.000 0.459 164 E N 0.392 120.595 120.200 0.006 0.000 2.481 164 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 164 E C 1.162 177.763 176.600 0.001 0.000 1.047 164 E CA 0.817 57.212 56.400 -0.008 0.000 0.867 164 E CB -0.211 29.485 29.700 -0.007 0.000 0.858 164 E HN 0.585 nan 8.360 nan 0.000 0.513 165 K N 0.491 120.898 120.400 0.011 0.000 2.379 165 K HA 0.236 4.556 4.320 -0.000 0.000 0.194 165 K C 1.300 177.907 176.600 0.010 0.000 1.031 165 K CA 0.525 56.819 56.287 0.012 0.000 1.037 165 K CB 0.359 32.870 32.500 0.017 0.000 0.824 165 K HN 0.105 nan 8.250 nan 0.000 0.516 166 A N 2.010 124.837 122.820 0.011 0.000 2.190 166 A HA -0.028 4.291 4.320 -0.000 0.000 0.226 166 A C 0.124 177.709 177.584 0.002 0.000 1.402 166 A CA 0.123 52.167 52.037 0.012 0.000 1.288 166 A CB -0.608 18.403 19.000 0.019 0.000 0.833 166 A HN -0.024 nan 8.150 nan 0.000 0.564 167 K N 0.992 121.392 120.400 0.001 0.000 2.466 167 K HA -0.011 4.309 4.320 -0.000 0.000 0.278 167 K C 1.080 177.680 176.600 -0.000 0.000 1.048 167 K CA 0.266 56.552 56.287 -0.002 0.000 1.088 167 K CB 0.254 32.754 32.500 -0.001 0.000 0.884 167 K HN 0.418 nan 8.250 nan 0.000 0.478 168 E N 3.572 123.771 120.200 -0.003 0.000 2.058 168 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 168 E C 0.500 177.101 176.600 0.001 0.000 0.997 168 E CA 1.442 57.842 56.400 -0.000 0.000 0.801 168 E CB 0.158 29.857 29.700 -0.003 0.000 0.746 168 E HN 0.517 nan 8.360 nan 0.000 0.450 169 K N 0.461 120.861 120.400 0.000 0.000 2.551 169 K HA -0.052 4.268 4.320 -0.000 0.000 0.192 169 K C 1.676 178.278 176.600 0.003 0.000 1.027 169 K CA -0.083 56.205 56.287 0.001 0.000 1.059 169 K CB 0.151 32.651 32.500 0.001 0.000 0.831 169 K HN -0.004 nan 8.250 nan 0.000 0.508 170 L N -0.577 120.647 121.223 0.003 0.000 2.388 170 L HA 0.204 4.544 4.340 -0.000 0.000 0.209 170 L C 1.988 178.861 176.870 0.004 0.000 1.061 170 L CA 1.029 55.871 54.840 0.004 0.000 0.834 170 L CB -0.274 41.788 42.059 0.005 0.000 1.029 170 L HN -0.013 nan 8.230 nan 0.000 0.473 171 A N 0.005 122.828 122.820 0.005 0.000 1.883 171 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 171 A C 2.081 179.667 177.584 0.003 0.000 1.186 171 A CA 1.989 54.029 52.037 0.005 0.000 0.624 171 A CB -0.719 18.285 19.000 0.007 0.000 0.822 171 A HN 0.601 nan 8.150 nan 0.000 0.444 172 E N -0.225 119.977 120.200 0.003 0.000 2.097 172 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 172 E C 1.935 178.535 176.600 0.000 0.000 1.000 172 E CA 1.380 57.781 56.400 0.001 0.000 0.804 172 E CB -0.398 29.303 29.700 0.002 0.000 0.740 172 E HN 0.696 nan 8.360 nan 0.000 0.454 173 I N 0.997 121.567 120.570 0.001 0.000 2.163 173 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 173 I C 2.457 178.572 176.117 -0.003 0.000 1.085 173 I CA 1.203 62.502 61.300 -0.000 0.000 1.347 173 I CB -0.345 37.656 38.000 0.002 0.000 1.044 173 I HN 0.129 nan 8.210 nan 0.000 0.408 174 I N 0.030 120.599 120.570 -0.002 0.000 2.142 174 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 174 I C 2.587 178.701 176.117 -0.006 0.000 1.078 174 I CA 1.228 62.526 61.300 -0.004 0.000 1.343 174 I CB -0.485 37.514 38.000 -0.002 0.000 1.046 174 I HN 0.004 nan 8.210 nan 0.000 0.405 175 V N 1.120 121.032 119.914 -0.004 0.000 2.231 175 V HA -0.383 3.737 4.120 -0.000 0.000 0.250 175 V C 2.569 178.658 176.094 -0.008 0.000 1.058 175 V CA 2.553 64.850 62.300 -0.005 0.000 1.022 175 V CB -0.814 31.008 31.823 -0.002 0.000 0.640 175 V HN 0.546 nan 8.190 nan 0.000 0.445 176 E N 0.433 120.629 120.200 -0.008 0.000 2.114 176 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 176 E C 2.016 178.605 176.600 -0.018 0.000 1.008 176 E CA 1.969 58.361 56.400 -0.012 0.000 0.810 176 E CB -0.386 29.309 29.700 -0.009 0.000 0.739 176 E HN 0.579 nan 8.360 nan 0.000 0.456 177 A N -0.034 122.776 122.820 -0.016 0.000 2.067 177 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 177 A C 2.281 179.851 177.584 -0.024 0.000 1.156 177 A CA 1.005 53.029 52.037 -0.021 0.000 0.683 177 A CB -0.037 18.953 19.000 -0.017 0.000 0.808 177 A HN 0.235 nan 8.150 nan 0.000 0.455 178 V N -0.523 119.380 119.914 -0.019 0.000 2.649 178 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 178 V C 2.572 178.653 176.094 -0.021 0.000 1.054 178 V CA 1.900 64.189 62.300 -0.018 0.000 1.073 178 V CB -0.240 31.575 31.823 -0.013 0.000 0.699 178 V HN 0.519 nan 8.190 nan 0.000 0.463 179 S N 0.631 116.319 115.700 -0.021 0.000 2.402 179 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 179 S C 2.233 176.811 174.600 -0.037 0.000 1.021 179 S CA 1.281 59.467 58.200 -0.023 0.000 0.974 179 S CB -0.323 62.866 63.200 -0.018 0.000 0.800 179 S HN 0.634 nan 8.310 nan 0.000 0.484 180 A N 1.429 124.220 122.820 -0.048 0.000 1.877 180 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 180 A C 2.152 179.690 177.584 -0.077 0.000 1.186 180 A CA 1.711 53.702 52.037 -0.077 0.000 0.620 180 A CB -0.866 18.088 19.000 -0.078 0.000 0.822 180 A HN 0.622 nan 8.150 nan 0.000 0.443 181 V N -1.748 118.135 119.914 -0.052 0.000 3.602 181 V HA 0.246 4.366 4.120 -0.000 0.000 0.289 181 V C 0.444 176.521 176.094 -0.028 0.000 1.265 181 V CA -0.320 61.955 62.300 -0.042 0.000 1.202 181 V CB -1.148 30.655 31.823 -0.033 0.000 1.012 181 V HN 0.099 nan 8.190 nan 0.000 0.431 182 V N 3.920 123.818 119.914 -0.027 0.000 2.479 182 V HA 0.144 4.264 4.120 -0.000 0.000 0.281 182 V C 0.475 176.566 176.094 -0.005 0.000 1.031 182 V CA 0.152 62.444 62.300 -0.013 0.000 1.038 182 V CB 0.716 32.533 31.823 -0.010 0.000 0.981 182 V HN 0.814 nan 8.190 nan 0.000 0.478 183 D N 4.526 124.925 120.400 -0.001 0.000 2.494 183 D HA 0.054 4.694 4.640 -0.000 0.000 0.217 183 D C -0.308 175.998 176.300 0.009 0.000 1.153 183 D CA -0.636 53.367 54.000 0.006 0.000 0.954 183 D CB 0.476 41.278 40.800 0.004 0.000 1.034 183 D HN 0.413 nan 8.370 nan 0.000 0.518 184 D N 2.861 123.270 120.400 0.016 0.000 2.451 184 D HA 0.038 4.678 4.640 -0.000 0.000 0.254 184 D C 0.389 176.697 176.300 0.013 0.000 1.204 184 D CA 0.568 54.577 54.000 0.016 0.000 0.896 184 D CB 0.666 41.480 40.800 0.024 0.000 1.136 184 D HN 0.540 nan 8.370 nan 0.000 0.499 185 E N 0.454 120.659 120.200 0.009 0.000 2.277 185 E HA 0.676 5.026 4.350 -0.000 0.000 0.266 185 E C 0.334 176.937 176.600 0.005 0.000 0.901 185 E CA -1.334 55.070 56.400 0.007 0.000 0.782 185 E CB 2.099 31.802 29.700 0.007 0.000 1.228 185 E HN 0.404 nan 8.360 nan 0.000 0.424 186 G N 1.800 110.602 108.800 0.003 0.000 5.253 186 G HA2 0.074 4.034 3.960 -0.000 0.000 0.238 186 G HA3 0.074 4.034 3.960 -0.000 0.000 0.238 186 G C -0.264 174.637 174.900 0.001 0.000 0.867 186 G CA -0.419 44.683 45.100 0.003 0.000 0.717 186 G HN 0.062 nan 8.290 nan 0.000 0.405 187 K N 0.223 120.623 120.400 0.000 0.000 2.139 187 K HA 0.702 5.022 4.320 -0.000 0.000 0.243 187 K C -0.484 176.114 176.600 -0.004 0.000 0.983 187 K CA -0.899 55.387 56.287 -0.002 0.000 0.890 187 K CB 2.330 34.829 32.500 -0.002 0.000 1.090 187 K HN -0.071 nan 8.250 nan 0.000 0.445 188 V N 1.379 121.289 119.914 -0.005 0.000 2.370 188 V HA 0.071 4.191 4.120 -0.000 0.000 0.283 188 V C -0.371 175.718 176.094 -0.008 0.000 1.023 188 V CA -0.824 61.471 62.300 -0.008 0.000 0.857 188 V CB 1.291 33.109 31.823 -0.008 0.000 0.985 188 V HN 0.596 nan 8.190 nan 0.000 0.443 189 D N 3.814 124.208 120.400 -0.010 0.000 2.422 189 D HA 0.209 4.849 4.640 -0.000 0.000 0.227 189 D C 1.039 177.332 176.300 -0.013 0.000 1.190 189 D CA -0.268 53.726 54.000 -0.010 0.000 0.905 189 D CB 1.177 41.971 40.800 -0.011 0.000 1.034 189 D HN 0.366 nan 8.370 nan 0.000 0.507 190 K N 1.392 121.785 120.400 -0.011 0.000 2.442 190 K HA -0.095 4.225 4.320 -0.000 0.000 0.200 190 K C 0.605 177.196 176.600 -0.015 0.000 1.045 190 K CA 0.897 57.177 56.287 -0.012 0.000 0.937 190 K CB 0.244 32.738 32.500 -0.009 0.000 0.757 190 K HN 0.380 nan 8.250 nan 0.000 0.474 191 D N -0.582 119.809 120.400 -0.015 0.000 2.349 191 D HA 0.057 4.697 4.640 -0.000 0.000 0.214 191 D C 1.116 177.402 176.300 -0.023 0.000 1.063 191 D CA 0.318 54.307 54.000 -0.018 0.000 0.847 191 D CB 0.326 41.116 40.800 -0.016 0.000 0.933 191 D HN 0.165 nan 8.370 nan 0.000 0.513 192 L N 0.240 121.449 121.223 -0.023 0.000 2.509 192 L HA 0.188 4.528 4.340 -0.000 0.000 0.222 192 L C 0.724 177.575 176.870 -0.031 0.000 1.123 192 L CA 0.350 55.174 54.840 -0.027 0.000 0.856 192 L CB 0.297 42.341 42.059 -0.024 0.000 0.985 192 L HN -0.152 nan 8.230 nan 0.000 0.456 193 I N 1.054 121.607 120.570 -0.029 0.000 2.287 193 I HA 0.096 4.266 4.170 -0.000 0.000 0.290 193 I C 0.378 176.476 176.117 -0.032 0.000 1.069 193 I CA -0.179 61.103 61.300 -0.030 0.000 1.237 193 I CB 0.695 38.680 38.000 -0.024 0.000 1.418 193 I HN 0.008 nan 8.210 nan 0.000 0.481 194 K N 7.234 127.610 120.400 -0.040 0.000 2.322 194 K HA 0.426 4.746 4.320 -0.000 0.000 0.283 194 K C -0.700 175.875 176.600 -0.042 0.000 1.042 194 K CA -0.240 56.020 56.287 -0.045 0.000 0.958 194 K CB 0.830 33.293 32.500 -0.061 0.000 0.984 194 K HN 0.571 nan 8.250 nan 0.000 0.473 195 I N 3.880 124.428 120.570 -0.038 0.000 2.355 195 I HA 0.168 4.338 4.170 -0.000 0.000 0.288 195 I C -0.537 175.557 176.117 -0.038 0.000 0.999 195 I CA -0.735 60.545 61.300 -0.032 0.000 1.163 195 I CB 1.713 39.700 38.000 -0.022 0.000 1.316 195 I HN 0.657 nan 8.210 nan 0.000 0.454 196 E N 6.749 126.923 120.200 -0.043 0.000 2.212 196 E HA 0.443 4.793 4.350 -0.000 0.000 0.268 196 E C -1.292 175.289 176.600 -0.033 0.000 0.902 196 E CA -0.695 55.675 56.400 -0.049 0.000 0.779 196 E CB 1.482 31.135 29.700 -0.079 0.000 1.172 196 E HN 0.311 nan 8.360 nan 0.000 0.409 197 K N 3.957 124.339 120.400 -0.030 0.000 2.394 197 K HA 0.529 4.849 4.320 -0.000 0.000 0.260 197 K C -0.780 175.810 176.600 -0.016 0.000 0.967 197 K CA -1.053 55.223 56.287 -0.020 0.000 0.855 197 K CB 1.577 34.064 32.500 -0.021 0.000 1.101 197 K HN 0.184 nan 8.250 nan 0.000 0.433 198 K N 1.588 121.986 120.400 -0.003 0.000 2.513 198 K HA 0.145 4.465 4.320 -0.000 0.000 0.251 198 K C 0.782 177.389 176.600 0.012 0.000 0.939 198 K CA -0.391 55.901 56.287 0.008 0.000 0.793 198 K CB 2.073 34.590 32.500 0.027 0.000 1.241 198 K HN 0.729 nan 8.250 nan 0.000 0.431 199 S N 1.914 117.618 115.700 0.007 0.000 2.523 199 S HA -0.121 4.349 4.470 -0.000 0.000 0.226 199 S C 1.025 175.631 174.600 0.011 0.000 1.062 199 S CA 1.182 59.384 58.200 0.004 0.000 1.207 199 S CB -0.964 62.235 63.200 -0.002 0.000 1.151 199 S HN 1.138 nan 8.310 nan 0.000 0.408 200 G N 0.731 109.539 108.800 0.014 0.000 2.915 200 G HA2 0.225 4.185 3.960 -0.000 0.000 0.337 200 G HA3 0.225 4.185 3.960 -0.000 0.000 0.337 200 G C 0.057 174.964 174.900 0.010 0.000 1.477 200 G CA -0.066 45.042 45.100 0.015 0.000 0.916 200 G HN 1.770 nan 8.290 nan 0.000 0.550 201 A N 0.271 123.096 122.820 0.009 0.000 3.215 201 A HA 0.747 5.067 4.320 -0.000 0.000 0.269 201 A C 1.092 178.680 177.584 0.007 0.000 1.517 201 A CA 1.295 53.336 52.037 0.007 0.000 1.221 201 A CB -0.085 18.918 19.000 0.005 0.000 1.160 201 A HN 1.999 nan 8.150 nan 0.000 0.620 202 S N 0.209 115.914 115.700 0.008 0.000 3.152 202 S HA 0.310 4.780 4.470 -0.000 0.000 0.173 202 S C 1.425 176.030 174.600 0.008 0.000 0.751 202 S CA 0.798 59.003 58.200 0.009 0.000 0.933 202 S CB -0.414 62.793 63.200 0.012 0.000 0.877 202 S HN 0.771 nan 8.310 nan 0.000 0.766 203 I N 1.269 121.844 120.570 0.009 0.000 3.986 203 I HA -0.413 3.756 4.170 -0.000 0.000 0.129 203 I C 0.954 177.075 176.117 0.008 0.000 0.493 203 I CA 2.167 63.472 61.300 0.009 0.000 1.177 203 I CB -1.140 36.865 38.000 0.008 0.000 1.035 203 I HN 0.444 nan 8.210 nan 0.000 0.211 204 D N 0.627 121.031 120.400 0.007 0.000 2.277 204 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 204 D C 1.380 177.685 176.300 0.008 0.000 0.962 204 D CA 0.975 54.978 54.000 0.006 0.000 0.865 204 D CB -0.172 40.630 40.800 0.003 0.000 0.939 204 D HN 0.442 nan 8.370 nan 0.000 0.510 205 D N 0.037 120.443 120.400 0.010 0.000 2.363 205 D HA -0.044 4.596 4.640 -0.000 0.000 0.226 205 D C 0.525 176.837 176.300 0.019 0.000 1.020 205 D CA 0.325 54.333 54.000 0.014 0.000 0.892 205 D CB -0.344 40.466 40.800 0.016 0.000 0.900 205 D HN 0.223 nan 8.370 nan 0.000 0.531 206 T N -0.117 114.446 114.554 0.016 0.000 2.930 206 T HA 0.242 4.592 4.350 -0.000 0.000 0.306 206 T C 0.145 174.856 174.700 0.018 0.000 1.045 206 T CA -0.443 61.668 62.100 0.018 0.000 1.134 206 T CB 1.145 70.020 68.868 0.012 0.000 0.961 206 T HN 0.242 nan 8.240 nan 0.000 0.545 207 E N 1.957 122.171 120.200 0.023 0.000 2.433 207 E HA 0.554 4.904 4.350 -0.000 0.000 0.278 207 E C -1.567 175.046 176.600 0.021 0.000 0.976 207 E CA -1.344 55.070 56.400 0.024 0.000 0.793 207 E CB 1.290 31.010 29.700 0.034 0.000 1.311 207 E HN 0.479 nan 8.360 nan 0.000 0.460 208 L N 1.926 123.159 121.223 0.017 0.000 2.276 208 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 208 L C -0.982 175.900 176.870 0.021 0.000 1.061 208 L CA -0.343 54.504 54.840 0.012 0.000 0.807 208 L CB 0.699 42.761 42.059 0.004 0.000 1.177 208 L HN 0.591 nan 8.230 nan 0.000 0.429 209 I N 5.530 126.111 120.570 0.019 0.000 2.354 209 I HA 0.252 4.422 4.170 -0.000 0.000 0.286 209 I C 0.075 176.196 176.117 0.008 0.000 1.007 209 I CA -0.615 60.703 61.300 0.030 0.000 1.167 209 I CB 1.020 39.045 38.000 0.041 0.000 1.320 209 I HN 0.529 nan 8.210 nan 0.000 0.458 210 K N 5.799 126.205 120.400 0.011 0.000 2.155 210 K HA 0.440 4.760 4.320 -0.000 0.000 0.240 210 K C 0.350 176.949 176.600 -0.001 0.000 1.193 210 K CA -0.203 56.082 56.287 -0.003 0.000 1.104 210 K CB 0.393 32.891 32.500 -0.003 0.000 1.558 210 K HN 0.900 nan 8.250 nan 0.000 0.313 211 G N -0.395 108.396 108.800 -0.014 0.000 2.498 211 G HA2 0.193 4.153 3.960 -0.000 0.000 0.181 211 G HA3 0.193 4.153 3.960 -0.000 0.000 0.181 211 G C -1.572 173.295 174.900 -0.054 0.000 1.169 211 G CA -0.662 44.425 45.100 -0.022 0.000 0.992 211 G HN 0.105 nan 8.290 nan 0.000 0.490 212 V N 0.217 120.085 119.914 -0.078 0.000 2.876 212 V HA 0.721 4.841 4.120 -0.000 0.000 0.312 212 V C -1.003 174.989 176.094 -0.171 0.000 1.085 212 V CA -0.693 61.530 62.300 -0.128 0.000 0.945 212 V CB 1.866 33.590 31.823 -0.165 0.000 1.017 212 V HN 0.703 nan 8.190 nan 0.000 0.428 213 L N 3.878 124.971 121.223 -0.216 0.000 2.272 213 L HA 0.665 5.005 4.340 -0.000 0.000 0.289 213 L C -0.462 176.266 176.870 -0.237 0.000 1.032 213 L CA 0.057 54.703 54.840 -0.323 0.000 0.810 213 L CB 1.660 43.483 42.059 -0.393 0.000 1.205 213 L HN 0.541 nan 8.230 nan 0.000 0.422 214 V N 2.973 122.765 119.914 -0.202 0.000 2.384 214 V HA 0.279 4.399 4.120 -0.000 0.000 0.287 214 V C -0.129 175.928 176.094 -0.062 0.000 1.020 214 V CA -0.728 61.502 62.300 -0.116 0.000 0.850 214 V CB 1.491 33.266 31.823 -0.081 0.000 0.987 214 V HN 0.590 nan 8.190 nan 0.000 0.436 215 D N 4.256 124.626 120.400 -0.050 0.000 3.032 215 D HA 0.197 4.837 4.640 -0.000 0.000 0.241 215 D C 0.328 176.638 176.300 0.016 0.000 1.196 215 D CA 0.306 54.292 54.000 -0.022 0.000 0.927 215 D CB 0.004 40.787 40.800 -0.029 0.000 1.129 215 D HN 0.389 nan 8.370 nan 0.000 0.458 216 K N 0.326 120.754 120.400 0.047 0.000 2.263 216 K HA 0.523 4.843 4.320 -0.000 0.000 0.249 216 K C -0.162 176.486 176.600 0.080 0.000 1.076 216 K CA -0.751 55.577 56.287 0.069 0.000 0.884 216 K CB 1.459 34.020 32.500 0.101 0.000 1.394 216 K HN 0.241 nan 8.250 nan 0.000 0.476 217 E N -0.095 120.146 120.200 0.068 0.000 2.383 217 E HA 0.420 4.770 4.350 -0.000 0.000 0.275 217 E C -1.092 175.529 176.600 0.035 0.000 0.918 217 E CA -1.233 55.202 56.400 0.060 0.000 0.764 217 E CB 1.331 31.060 29.700 0.048 0.000 1.252 217 E HN 0.381 nan 8.360 nan 0.000 0.449 218 R N 0.674 121.186 120.500 0.021 0.000 2.481 218 R HA -0.035 4.305 4.340 -0.000 0.000 0.291 218 R C 0.683 176.979 176.300 -0.008 0.000 0.934 218 R CA 0.027 56.119 56.100 -0.012 0.000 1.116 218 R CB -0.023 30.268 30.300 -0.015 0.000 0.895 218 R HN 0.477 nan 8.270 nan 0.000 0.410 219 V N 1.723 121.626 119.914 -0.018 0.000 2.626 219 V HA -0.126 3.994 4.120 -0.000 0.000 0.252 219 V C 0.480 176.570 176.094 -0.007 0.000 1.067 219 V CA 2.112 64.407 62.300 -0.009 0.000 1.081 219 V CB 0.178 31.994 31.823 -0.012 0.000 0.686 219 V HN 0.836 nan 8.190 nan 0.000 0.468 220 S N -1.380 114.313 115.700 -0.012 0.000 2.478 220 S HA 0.659 5.128 4.470 -0.000 0.000 0.312 220 S C 0.851 175.448 174.600 -0.005 0.000 1.094 220 S CA -0.157 58.039 58.200 -0.006 0.000 1.081 220 S CB 1.667 64.863 63.200 -0.006 0.000 1.007 220 S HN 0.541 nan 8.310 nan 0.000 0.475 221 A N 3.600 126.420 122.820 -0.000 0.000 2.121 221 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 221 A C 1.829 179.413 177.584 0.000 0.000 1.154 221 A CA 1.178 53.216 52.037 0.001 0.000 0.679 221 A CB -0.405 18.596 19.000 0.003 0.000 0.795 221 A HN 0.873 nan 8.150 nan 0.000 0.458 222 Q N -0.940 118.861 119.800 0.002 0.000 2.389 222 Q HA 0.103 4.443 4.340 -0.000 0.000 0.204 222 Q C 0.488 176.484 176.000 -0.007 0.000 0.944 222 Q CA -0.069 55.735 55.803 0.002 0.000 0.908 222 Q CB -0.094 28.652 28.738 0.014 0.000 1.002 222 Q HN 0.707 nan 8.270 nan 0.000 0.493 223 M N 1.680 121.272 119.600 -0.013 0.000 2.207 223 M HA 0.163 4.643 4.480 -0.000 0.000 0.311 223 M C -2.032 174.258 176.300 -0.017 0.000 1.127 223 M CA -1.709 53.578 55.300 -0.022 0.000 1.181 223 M CB 0.030 32.611 32.600 -0.032 0.000 1.409 223 M HN -0.096 nan 8.290 nan 0.000 0.461 224 P HA 0.006 nan 4.420 nan 0.000 0.267 224 P C -0.620 176.674 177.300 -0.010 0.000 1.200 224 P CA 0.307 63.399 63.100 -0.014 0.000 0.772 224 P CB 0.421 32.112 31.700 -0.015 0.000 0.855 225 K N 1.075 121.472 120.400 -0.004 0.000 2.438 225 K HA 0.179 4.499 4.320 -0.000 0.000 0.205 225 K C -0.045 176.559 176.600 0.005 0.000 1.033 225 K CA -0.042 56.247 56.287 0.003 0.000 1.089 225 K CB 0.240 32.742 32.500 0.003 0.000 0.857 225 K HN 0.246 nan 8.250 nan 0.000 0.522 226 K N 0.380 120.782 120.400 0.003 0.000 2.557 226 K HA 0.292 4.612 4.320 -0.000 0.000 0.257 226 K C -1.920 174.684 176.600 0.007 0.000 0.933 226 K CA -0.756 55.535 56.287 0.007 0.000 0.820 226 K CB 2.107 34.605 32.500 -0.002 0.000 1.330 226 K HN -0.141 nan 8.250 nan 0.000 0.432 227 V N 2.378 122.301 119.914 0.016 0.000 2.686 227 V HA 0.484 4.604 4.120 -0.000 0.000 0.306 227 V C -0.485 175.623 176.094 0.023 0.000 1.065 227 V CA -0.765 61.544 62.300 0.015 0.000 0.894 227 V CB 1.945 33.776 31.823 0.015 0.000 1.004 227 V HN 0.963 nan 8.190 nan 0.000 0.424 228 T N -0.548 114.017 114.554 0.018 0.000 2.925 228 T HA 0.509 4.859 4.350 -0.000 0.000 0.285 228 T C -0.114 174.599 174.700 0.023 0.000 1.021 228 T CA -0.506 61.607 62.100 0.021 0.000 1.042 228 T CB 1.394 70.271 68.868 0.014 0.000 1.037 228 T HN 0.718 nan 8.240 nan 0.000 0.481 229 D N -0.169 120.247 120.400 0.027 0.000 2.737 229 D HA -0.168 4.472 4.640 -0.000 0.000 0.233 229 D C 0.572 176.889 176.300 0.029 0.000 1.155 229 D CA 1.021 55.037 54.000 0.027 0.000 0.667 229 D CB -1.452 39.361 40.800 0.020 0.000 1.060 229 D HN 1.053 nan 8.370 nan 0.000 0.427 230 A N 0.261 123.104 122.820 0.037 0.000 2.406 230 A HA 0.268 4.588 4.320 -0.000 0.000 0.243 230 A C 0.785 178.395 177.584 0.043 0.000 1.082 230 A CA 0.284 52.344 52.037 0.038 0.000 0.786 230 A CB 0.795 19.823 19.000 0.048 0.000 1.029 230 A HN 0.087 nan 8.150 nan 0.000 0.495 231 K N 1.530 121.952 120.400 0.036 0.000 2.339 231 K HA 0.468 4.788 4.320 -0.000 0.000 0.264 231 K C -1.273 175.356 176.600 0.049 0.000 0.986 231 K CA -0.060 56.251 56.287 0.040 0.000 0.866 231 K CB 1.294 33.810 32.500 0.027 0.000 1.103 231 K HN 0.625 nan 8.250 nan 0.000 0.441 232 I N 2.426 123.040 120.570 0.073 0.000 2.321 232 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 232 I C 0.070 176.247 176.117 0.100 0.000 0.998 232 I CA -0.654 60.713 61.300 0.111 0.000 1.227 232 I CB 1.691 39.804 38.000 0.188 0.000 1.368 232 I HN 0.501 nan 8.210 nan 0.000 0.466 233 A N 7.695 130.568 122.820 0.088 0.000 2.256 233 A HA 0.692 5.012 4.320 -0.000 0.000 0.317 233 A C -0.781 176.868 177.584 0.109 0.000 1.318 233 A CA -0.461 51.620 52.037 0.074 0.000 0.894 233 A CB 0.351 19.374 19.000 0.038 0.000 1.165 233 A HN 0.576 nan 8.150 nan 0.000 0.525 234 L N 3.070 124.359 121.223 0.111 0.000 2.260 234 L HA 0.364 4.704 4.340 -0.000 0.000 0.289 234 L C -0.173 176.745 176.870 0.079 0.000 1.057 234 L CA 0.391 55.305 54.840 0.123 0.000 0.811 234 L CB 1.046 43.162 42.059 0.095 0.000 1.184 234 L HN 0.624 nan 8.230 nan 0.000 0.429 235 L N 3.800 125.071 121.223 0.080 0.000 2.276 235 L HA 0.341 4.681 4.340 -0.000 0.000 0.286 235 L C 1.029 177.928 176.870 0.048 0.000 1.024 235 L CA -0.358 54.514 54.840 0.053 0.000 0.826 235 L CB 1.141 43.226 42.059 0.043 0.000 1.211 235 L HN 0.602 nan 8.230 nan 0.000 0.422 236 N N 1.497 120.218 118.700 0.036 0.000 2.521 236 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 236 N C 0.257 175.782 175.510 0.025 0.000 1.146 236 N CA 0.092 53.159 53.050 0.029 0.000 0.893 236 N CB 0.110 38.609 38.487 0.022 0.000 0.975 236 N HN 0.515 nan 8.380 nan 0.000 0.451 237 C N -0.136 119.179 119.300 0.026 0.000 2.411 237 C HA 0.787 5.247 4.460 -0.000 0.000 0.358 237 C C 0.022 175.026 174.990 0.024 0.000 1.349 237 C CA -0.636 58.396 59.018 0.022 0.000 2.326 237 C CB 0.350 28.103 27.740 0.020 0.000 2.166 237 C HN 0.418 nan 8.230 nan 0.000 0.609 238 A N 2.498 125.331 122.820 0.022 0.000 2.285 238 A HA 0.637 4.957 4.320 -0.000 0.000 0.310 238 A C -0.451 177.147 177.584 0.023 0.000 1.266 238 A CA -0.374 51.677 52.037 0.022 0.000 0.832 238 A CB 0.117 19.129 19.000 0.020 0.000 1.163 238 A HN 0.754 nan 8.150 nan 0.000 0.499 239 I N 2.818 123.403 120.570 0.026 0.000 2.357 239 I HA 0.080 4.250 4.170 -0.000 0.000 0.300 239 I C 0.549 176.686 176.117 0.034 0.000 1.159 239 I CA -0.056 61.262 61.300 0.030 0.000 1.339 239 I CB -0.163 37.856 38.000 0.033 0.000 1.458 239 I HN 0.605 nan 8.210 nan 0.000 0.577 264 T N -4.336 110.244 114.554 0.043 0.000 3.442 264 T HA 0.696 5.046 4.350 -0.000 0.000 0.135 264 T C 1.035 175.752 174.700 0.028 0.000 0.806 264 T CA 1.847 63.966 62.100 0.031 0.000 0.810 264 T CB 0.316 69.201 68.868 0.029 0.000 1.131 264 T HN 2.156 nan 8.240 nan 0.000 0.264 265 A N -0.010 122.832 122.820 0.036 0.000 2.441 265 A HA 0.683 5.003 4.320 -0.000 0.000 0.209 265 A C 0.494 178.102 177.584 0.041 0.000 1.645 265 A CA 0.565 52.621 52.037 0.030 0.000 1.362 265 A CB -0.117 18.893 19.000 0.016 0.000 1.035 265 A HN 0.645 nan 8.150 nan 0.000 0.487 266 S N 1.369 117.103 115.700 0.056 0.000 3.041 266 S HA 0.288 4.758 4.470 -0.000 0.000 0.250 266 S C 0.365 175.008 174.600 0.072 0.000 0.898 266 S CA 0.784 59.017 58.200 0.055 0.000 1.100 266 S CB -0.594 62.627 63.200 0.035 0.000 1.149 266 S HN 1.183 nan 8.310 nan 0.000 0.540 267 E N 0.294 120.570 120.200 0.128 0.000 2.238 267 E HA -0.258 4.092 4.350 -0.000 0.000 0.219 267 E C 0.183 176.814 176.600 0.052 0.000 1.275 267 E CA 0.880 57.374 56.400 0.156 0.000 0.714 267 E CB -2.040 27.739 29.700 0.131 0.000 1.154 267 E HN 0.680 nan 8.360 nan 0.000 0.363 268 M N 0.271 119.906 119.600 0.058 0.000 2.747 268 M HA 0.004 4.484 4.480 -0.000 0.000 0.221 268 M C 0.512 176.827 176.300 0.024 0.000 1.107 268 M CA 0.481 55.797 55.300 0.027 0.000 1.031 268 M CB 0.186 32.804 32.600 0.030 0.000 1.727 268 M HN 0.316 nan 8.290 nan 0.000 0.517 269 L N -1.644 119.600 121.223 0.034 0.000 2.878 269 L HA 0.166 4.506 4.340 -0.000 0.000 0.253 269 L C 1.551 178.371 176.870 -0.082 0.000 1.135 269 L CA 0.669 55.545 54.840 0.059 0.000 0.943 269 L CB -0.547 41.644 42.059 0.219 0.000 1.307 269 L HN 0.173 nan 8.230 nan 0.000 0.545 270 K N 0.333 120.551 120.400 -0.304 0.000 2.283 270 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 270 K C 1.223 177.708 176.600 -0.190 0.000 1.048 270 K CA 0.979 57.012 56.287 -0.423 0.000 0.948 270 K CB 0.243 32.449 32.500 -0.489 0.000 0.742 270 K HN 0.236 nan 8.250 nan 0.000 0.458 271 D N 1.148 121.479 120.400 -0.115 0.000 2.081 271 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 271 D C 1.818 178.092 176.300 -0.043 0.000 0.986 271 D CA 1.409 55.371 54.000 -0.064 0.000 0.837 271 D CB -0.289 40.487 40.800 -0.039 0.000 0.985 271 D HN 0.073 nan 8.370 nan 0.000 0.448 272 M N 0.320 119.907 119.600 -0.023 0.000 2.144 272 M HA -0.154 4.326 4.480 -0.000 0.000 0.260 272 M C 2.189 178.487 176.300 -0.004 0.000 1.067 272 M CA 1.001 56.299 55.300 -0.003 0.000 1.095 272 M CB -0.124 32.486 32.600 0.017 0.000 1.365 272 M HN -0.101 nan 8.290 nan 0.000 0.406 273 V N -0.531 119.376 119.914 -0.011 0.000 2.719 273 V HA -0.093 4.027 4.120 -0.000 0.000 0.252 273 V C 2.207 178.284 176.094 -0.028 0.000 1.065 273 V CA 1.659 63.958 62.300 -0.003 0.000 1.086 273 V CB -0.733 31.109 31.823 0.032 0.000 0.700 273 V HN 0.508 nan 8.190 nan 0.000 0.467 274 A N -0.784 122.006 122.820 -0.051 0.000 2.220 274 A HA 0.094 4.414 4.320 -0.000 0.000 0.211 274 A C 1.952 179.517 177.584 -0.032 0.000 1.176 274 A CA 0.238 52.246 52.037 -0.048 0.000 0.834 274 A CB -0.098 18.861 19.000 -0.069 0.000 0.868 274 A HN 0.531 nan 8.150 nan 0.000 0.488 275 E N -0.107 120.078 120.200 -0.025 0.000 2.216 275 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 275 E C 1.380 177.974 176.600 -0.009 0.000 0.988 275 E CA 0.748 57.139 56.400 -0.016 0.000 0.834 275 E CB -0.089 29.604 29.700 -0.012 0.000 0.772 275 E HN 0.697 nan 8.360 nan 0.000 0.479 276 I N 0.911 121.476 120.570 -0.009 0.000 2.480 276 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 276 I C 2.420 178.533 176.117 -0.007 0.000 1.124 276 I CA 0.710 62.007 61.300 -0.005 0.000 1.444 276 I CB -0.014 37.984 38.000 -0.003 0.000 1.098 276 I HN -0.077 nan 8.210 nan 0.000 0.428 277 K N 1.552 121.944 120.400 -0.012 0.000 2.439 277 K HA -0.031 4.289 4.320 -0.000 0.000 0.197 277 K C 2.010 178.603 176.600 -0.012 0.000 1.041 277 K CA 0.853 57.132 56.287 -0.013 0.000 0.970 277 K CB 0.116 32.605 32.500 -0.019 0.000 0.773 277 K HN 0.283 nan 8.250 nan 0.000 0.479 278 A N 0.736 123.550 122.820 -0.011 0.000 1.968 278 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 278 A C 1.962 179.543 177.584 -0.005 0.000 1.169 278 A CA 1.700 53.731 52.037 -0.010 0.000 0.638 278 A CB -0.307 18.687 19.000 -0.011 0.000 0.812 278 A HN 0.444 nan 8.150 nan 0.000 0.446 279 S N -2.098 113.600 115.700 -0.002 0.000 2.496 279 S HA 0.369 4.839 4.470 -0.000 0.000 0.224 279 S C 1.365 175.967 174.600 0.003 0.000 0.996 279 S CA 0.997 59.198 58.200 0.001 0.000 0.927 279 S CB -0.118 63.084 63.200 0.005 0.000 0.774 279 S HN 1.860 nan 8.310 nan 0.000 0.524 280 G N 0.656 109.457 108.800 0.000 0.000 2.131 280 G HA2 0.029 3.989 3.960 -0.000 0.000 0.201 280 G HA3 0.029 3.989 3.960 -0.000 0.000 0.201 280 G C 0.029 174.931 174.900 0.003 0.000 1.000 280 G CA -0.298 44.802 45.100 0.001 0.000 0.680 280 G HN 1.189 nan 8.290 nan 0.000 0.514 281 A N 0.580 123.401 122.820 0.002 0.000 2.269 281 A HA 0.634 4.954 4.320 -0.000 0.000 0.302 281 A C 1.005 178.584 177.584 -0.008 0.000 1.266 281 A CA 0.271 52.310 52.037 0.003 0.000 0.894 281 A CB 0.230 19.234 19.000 0.007 0.000 1.147 281 A HN 0.898 nan 8.150 nan 0.000 0.537 282 N N 1.704 120.399 118.700 -0.008 0.000 2.268 282 N HA 0.172 4.912 4.740 -0.000 0.000 0.204 282 N C -0.573 174.914 175.510 -0.038 0.000 1.124 282 N CA 0.039 53.077 53.050 -0.019 0.000 0.838 282 N CB 0.406 38.887 38.487 -0.010 0.000 0.994 282 N HN 0.211 nan 8.380 nan 0.000 0.489 283 V N 0.566 120.452 119.914 -0.047 0.000 2.891 283 V HA 0.490 4.610 4.120 -0.000 0.000 0.304 283 V C -1.638 174.377 176.094 -0.133 0.000 1.171 283 V CA -1.025 61.207 62.300 -0.113 0.000 0.943 283 V CB 2.337 34.120 31.823 -0.067 0.000 1.037 283 V HN 0.161 nan 8.190 nan 0.000 0.427 284 L N 4.478 125.535 121.223 -0.277 0.000 2.476 284 L HA 0.737 5.077 4.340 -0.000 0.000 0.269 284 L C -1.910 174.755 176.870 -0.343 0.000 0.965 284 L CA 0.090 54.815 54.840 -0.191 0.000 0.845 284 L CB 1.727 43.727 42.059 -0.098 0.000 1.259 284 L HN 0.470 nan 8.230 nan 0.000 0.403 285 F N 4.803 124.760 119.950 0.011 0.000 2.375 285 F HA 0.507 5.034 4.527 0.000 0.000 0.361 285 F C 0.160 175.965 175.800 0.008 0.000 1.117 285 F CA -0.326 57.680 58.000 0.009 0.000 1.037 285 F CB 1.436 40.440 39.000 0.007 0.000 1.192 285 F HN 0.491 nan 8.300 nan 0.000 0.452 286 C N 4.120 123.504 119.300 0.141 0.000 2.329 286 C HA 0.228 4.688 4.460 -0.000 0.000 0.329 286 C C 1.580 176.622 174.990 0.086 0.000 1.275 286 C CA -0.342 58.730 59.018 0.089 0.000 1.726 286 C CB 0.903 28.672 27.740 0.047 0.000 2.291 286 C HN 1.037 nan 8.230 nan 0.000 0.514 287 Q N 3.090 122.930 119.800 0.066 0.000 2.212 287 Q HA 0.014 4.354 4.340 -0.000 0.000 0.199 287 Q C 0.949 176.971 176.000 0.037 0.000 0.950 287 Q CA 1.095 56.927 55.803 0.049 0.000 0.863 287 Q CB 0.229 28.989 28.738 0.035 0.000 0.944 287 Q HN 0.629 nan 8.270 nan 0.000 0.465 288 K N -0.010 120.410 120.400 0.034 0.000 2.836 288 K HA 0.380 4.700 4.320 -0.000 0.000 0.300 288 K C 0.182 176.798 176.600 0.026 0.000 1.004 288 K CA -0.001 56.302 56.287 0.026 0.000 1.140 288 K CB -0.572 31.942 32.500 0.023 0.000 1.458 288 K HN 0.147 nan 8.250 nan 0.000 0.550 289 G N 0.363 109.176 108.800 0.022 0.000 2.400 289 G HA2 0.538 4.498 3.960 -0.000 0.000 0.301 289 G HA3 0.538 4.498 3.960 -0.000 0.000 0.301 289 G C -0.475 174.437 174.900 0.021 0.000 1.154 289 G CA -0.601 44.511 45.100 0.020 0.000 0.852 289 G HN 0.300 nan 8.290 nan 0.000 0.511 290 I N 2.017 122.598 120.570 0.018 0.000 2.390 290 I HA 0.133 4.303 4.170 -0.000 0.000 0.283 290 I C 0.016 176.142 176.117 0.016 0.000 1.016 290 I CA -0.699 60.612 61.300 0.018 0.000 1.151 290 I CB 1.364 39.372 38.000 0.014 0.000 1.293 290 I HN 0.423 nan 8.210 nan 0.000 0.458 291 D N 4.473 124.886 120.400 0.021 0.000 2.364 291 D HA -0.081 4.559 4.640 -0.000 0.000 0.236 291 D C 0.587 176.891 176.300 0.007 0.000 1.221 291 D CA 0.306 54.316 54.000 0.016 0.000 0.891 291 D CB 1.178 41.993 40.800 0.025 0.000 1.190 291 D HN 0.474 nan 8.370 nan 0.000 0.449 292 D N 1.535 121.931 120.400 -0.006 0.000 2.264 292 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 292 D C 1.817 178.085 176.300 -0.054 0.000 0.966 292 D CA 0.388 54.373 54.000 -0.025 0.000 0.864 292 D CB 0.160 40.942 40.800 -0.031 0.000 0.933 292 D HN 0.355 nan 8.370 nan 0.000 0.499 293 L N 0.226 121.418 121.223 -0.050 0.000 2.095 293 L HA 0.003 4.343 4.340 -0.000 0.000 0.204 293 L C 1.994 178.781 176.870 -0.139 0.000 1.080 293 L CA 0.764 55.529 54.840 -0.124 0.000 0.759 293 L CB -0.101 41.955 42.059 -0.006 0.000 0.914 293 L HN -0.052 nan 8.230 nan 0.000 0.439 294 A N -1.331 121.517 122.820 0.047 0.000 2.259 294 A HA -0.055 4.265 4.320 -0.000 0.000 0.208 294 A C 1.888 179.503 177.584 0.051 0.000 1.201 294 A CA 0.393 52.508 52.037 0.131 0.000 0.824 294 A CB -0.164 18.913 19.000 0.128 0.000 0.838 294 A HN 0.471 nan 8.150 nan 0.000 0.485 295 Q N -1.733 118.066 119.800 -0.002 0.000 2.339 295 Q HA -0.023 4.317 4.340 -0.000 0.000 0.205 295 Q C 1.844 177.836 176.000 -0.013 0.000 0.925 295 Q CA 0.650 56.449 55.803 -0.006 0.000 0.898 295 Q CB -0.076 28.658 28.738 -0.007 0.000 1.013 295 Q HN 0.945 nan 8.270 nan 0.000 0.504 296 H N -0.641 118.327 119.070 -0.171 0.000 2.448 296 H HA -0.061 4.495 4.556 0.000 0.000 0.292 296 H C 0.961 176.211 175.328 -0.131 0.000 1.035 296 H CA 0.962 56.889 56.048 -0.201 0.000 1.349 296 H CB 0.378 29.947 29.762 -0.322 0.000 1.425 296 H HN 0.220 nan 8.280 nan 0.000 0.539 297 Y N 0.727 120.922 120.300 -0.176 0.000 2.439 297 Y HA -0.037 4.513 4.550 -0.000 0.000 0.292 297 Y C 2.653 178.461 175.900 -0.153 0.000 1.130 297 Y CA 0.374 58.351 58.100 -0.204 0.000 1.254 297 Y CB -0.262 38.157 38.460 -0.067 0.000 1.000 297 Y HN 0.152 nan 8.280 nan 0.000 0.554 298 L N -1.161 120.077 121.223 0.025 0.000 2.068 298 L HA -0.092 4.248 4.340 -0.000 0.000 0.204 298 L C 2.643 179.486 176.870 -0.044 0.000 1.076 298 L CA 0.975 55.811 54.840 -0.008 0.000 0.753 298 L CB -0.784 41.270 42.059 -0.009 0.000 0.910 298 L HN 0.149 nan 8.230 nan 0.000 0.439 299 A N -0.019 122.762 122.820 -0.064 0.000 1.948 299 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 299 A C 2.331 179.868 177.584 -0.079 0.000 1.177 299 A CA 2.043 54.042 52.037 -0.062 0.000 0.636 299 A CB -0.476 18.497 19.000 -0.045 0.000 0.815 299 A HN 0.305 nan 8.150 nan 0.000 0.449 300 K N -0.827 119.489 120.400 -0.141 0.000 2.211 300 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 300 K C 1.551 178.114 176.600 -0.061 0.000 1.050 300 K CA 1.206 57.415 56.287 -0.129 0.000 0.945 300 K CB 0.024 32.387 32.500 -0.228 0.000 0.732 300 K HN 0.440 nan 8.250 nan 0.000 0.451 301 E N -1.169 119.003 120.200 -0.047 0.000 2.318 301 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 301 E C 1.071 177.655 176.600 -0.026 0.000 0.998 301 E CA 0.945 57.327 56.400 -0.030 0.000 0.859 301 E CB 0.818 30.504 29.700 -0.023 0.000 0.812 301 E HN 0.512 nan 8.360 nan 0.000 0.492 302 G N 1.524 110.306 108.800 -0.030 0.000 2.163 302 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.213 302 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.213 302 G C 0.275 175.157 174.900 -0.030 0.000 0.991 302 G CA -0.002 45.083 45.100 -0.026 0.000 0.653 302 G HN 0.181 nan 8.290 nan 0.000 0.518 303 I N 1.947 122.496 120.570 -0.035 0.000 2.352 303 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 303 I C 0.865 176.944 176.117 -0.064 0.000 1.036 303 I CA -1.045 60.228 61.300 -0.046 0.000 1.336 303 I CB 1.410 39.385 38.000 -0.041 0.000 1.407 303 I HN -0.086 nan 8.210 nan 0.000 0.497 304 V N 5.143 125.006 119.914 -0.085 0.000 2.607 304 V HA 0.759 4.879 4.120 -0.000 0.000 0.289 304 V C 0.434 176.413 176.094 -0.192 0.000 1.053 304 V CA -0.436 61.794 62.300 -0.116 0.000 0.996 304 V CB 1.066 32.824 31.823 -0.109 0.000 0.995 304 V HN 0.897 nan 8.190 nan 0.000 0.476 305 A N 2.972 125.680 122.820 -0.188 0.000 2.549 305 A HA 0.952 5.272 4.320 -0.000 0.000 0.297 305 A C -0.630 176.847 177.584 -0.179 0.000 1.061 305 A CA -0.227 51.676 52.037 -0.223 0.000 0.690 305 A CB 1.895 20.821 19.000 -0.123 0.000 1.287 305 A HN 1.688 nan 8.150 nan 0.000 0.402 306 A N 1.747 124.460 122.820 -0.179 0.000 2.374 306 A HA 0.777 5.097 4.320 -0.000 0.000 0.305 306 A C -0.100 177.502 177.584 0.030 0.000 1.053 306 A CA -0.665 51.353 52.037 -0.032 0.000 0.726 306 A CB 0.955 19.993 19.000 0.063 0.000 1.229 306 A HN 1.233 nan 8.150 nan 0.000 0.431 307 R N 2.260 122.780 120.500 0.033 0.000 2.536 307 R HA 0.613 4.953 4.340 -0.000 0.000 0.279 307 R C -0.625 175.704 176.300 0.049 0.000 1.001 307 R CA -0.454 55.669 56.100 0.038 0.000 1.027 307 R CB 0.562 30.875 30.300 0.022 0.000 1.096 307 R HN 0.784 nan 8.270 nan 0.000 0.502 308 R N 0.428 120.956 120.500 0.046 0.000 3.267 308 R HA -0.110 4.230 4.340 -0.000 0.000 0.254 308 R C -0.605 175.722 176.300 0.046 0.000 0.993 308 R CA 0.666 56.790 56.100 0.039 0.000 0.670 308 R CB -1.916 28.401 30.300 0.028 0.000 1.125 308 R HN 0.464 nan 8.270 nan 0.000 0.434 309 V N 2.037 121.989 119.914 0.064 0.000 2.583 309 V HA 0.078 4.198 4.120 -0.000 0.000 0.287 309 V C 1.276 177.384 176.094 0.024 0.000 1.051 309 V CA -0.372 61.962 62.300 0.057 0.000 1.010 309 V CB 1.373 33.251 31.823 0.092 0.000 0.988 309 V HN 0.118 nan 8.190 nan 0.000 0.478 310 K N 3.476 123.879 120.400 0.005 0.000 2.586 310 K HA -0.108 4.212 4.320 -0.000 0.000 0.280 310 K C 1.272 177.865 176.600 -0.011 0.000 0.972 310 K CA 0.362 56.645 56.287 -0.007 0.000 1.040 310 K CB 0.427 32.916 32.500 -0.019 0.000 0.870 310 K HN 0.649 nan 8.250 nan 0.000 0.497 311 K N 1.950 122.346 120.400 -0.008 0.000 2.097 311 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 311 K C 1.826 178.414 176.600 -0.020 0.000 1.049 311 K CA 1.899 58.181 56.287 -0.009 0.000 0.933 311 K CB 0.024 32.521 32.500 -0.004 0.000 0.717 311 K HN 0.638 nan 8.250 nan 0.000 0.442 312 S N 0.503 116.189 115.700 -0.024 0.000 2.382 312 S HA -0.151 4.319 4.470 -0.000 0.000 0.228 312 S C 1.515 176.085 174.600 -0.050 0.000 1.027 312 S CA 1.416 59.597 58.200 -0.033 0.000 0.991 312 S CB -0.279 62.903 63.200 -0.030 0.000 0.823 312 S HN 0.296 nan 8.310 nan 0.000 0.469 313 D N 0.538 120.902 120.400 -0.059 0.000 2.347 313 D HA 0.134 4.774 4.640 -0.000 0.000 0.215 313 D C 1.599 177.830 176.300 -0.116 0.000 0.976 313 D CA 0.532 54.475 54.000 -0.095 0.000 0.884 313 D CB -0.031 40.711 40.800 -0.097 0.000 0.915 313 D HN 0.348 nan 8.370 nan 0.000 0.526 314 M N -0.213 119.344 119.600 -0.072 0.000 2.357 314 M HA 0.028 4.508 4.480 -0.000 0.000 0.266 314 M C 1.774 178.041 176.300 -0.055 0.000 1.095 314 M CA 0.851 56.115 55.300 -0.060 0.000 1.156 314 M CB -0.517 32.072 32.600 -0.018 0.000 1.365 314 M HN -0.009 nan 8.290 nan 0.000 0.447 315 E N 0.141 120.314 120.200 -0.045 0.000 2.107 315 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 315 E C 2.030 178.600 176.600 -0.049 0.000 0.982 315 E CA 0.647 57.025 56.400 -0.037 0.000 0.809 315 E CB 0.034 29.718 29.700 -0.028 0.000 0.756 315 E HN 0.285 nan 8.360 nan 0.000 0.459 316 K N 0.699 121.058 120.400 -0.068 0.000 2.063 316 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 316 K C 2.161 178.704 176.600 -0.095 0.000 1.048 316 K CA 0.984 57.223 56.287 -0.080 0.000 0.928 316 K CB -0.241 32.200 32.500 -0.098 0.000 0.713 316 K HN 0.214 nan 8.250 nan 0.000 0.442 317 L N 0.285 121.431 121.223 -0.128 0.000 2.131 317 L HA -0.060 4.280 4.340 -0.000 0.000 0.206 317 L C 2.552 179.379 176.870 -0.072 0.000 1.087 317 L CA 0.759 55.510 54.840 -0.148 0.000 0.767 317 L CB -0.499 41.402 42.059 -0.264 0.000 0.917 317 L HN 0.077 nan 8.230 nan 0.000 0.441 318 A N 0.786 123.576 122.820 -0.049 0.000 1.892 318 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 318 A C 2.300 179.878 177.584 -0.010 0.000 1.188 318 A CA 2.103 54.130 52.037 -0.018 0.000 0.631 318 A CB -0.338 18.654 19.000 -0.013 0.000 0.822 318 A HN 0.396 nan 8.150 nan 0.000 0.447 319 K N -0.675 119.714 120.400 -0.017 0.000 2.098 319 K HA 0.215 4.535 4.320 -0.000 0.000 0.203 319 K C 2.284 178.883 176.600 -0.003 0.000 1.051 319 K CA 0.866 57.150 56.287 -0.006 0.000 0.957 319 K CB -0.244 32.249 32.500 -0.012 0.000 0.738 319 K HN 0.373 nan 8.250 nan 0.000 0.447 320 A N 1.652 124.460 122.820 -0.020 0.000 1.929 320 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 320 A C 2.278 179.863 177.584 0.002 0.000 1.176 320 A CA 1.973 53.998 52.037 -0.019 0.000 0.628 320 A CB -0.836 18.140 19.000 -0.041 0.000 0.816 320 A HN 0.451 nan 8.150 nan 0.000 0.444 321 T N -4.549 110.008 114.554 0.004 0.000 3.009 321 T HA 0.392 4.742 4.350 -0.000 0.000 0.258 321 T C 1.338 176.061 174.700 0.039 0.000 1.063 321 T CA 1.152 63.268 62.100 0.025 0.000 1.139 321 T CB -0.075 68.810 68.868 0.028 0.000 0.890 321 T HN 1.713 nan 8.240 nan 0.000 0.471 322 G N 1.215 110.035 108.800 0.034 0.000 2.288 322 G HA2 0.225 4.185 3.960 -0.000 0.000 0.205 322 G HA3 0.225 4.185 3.960 -0.000 0.000 0.205 322 G C 0.100 175.017 174.900 0.029 0.000 1.071 322 G CA -0.125 44.998 45.100 0.038 0.000 0.788 322 G HN 0.980 nan 8.290 nan 0.000 0.491 323 A N -0.341 122.494 122.820 0.026 0.000 2.580 323 A HA 0.914 5.234 4.320 -0.000 0.000 0.275 323 A C 0.293 177.890 177.584 0.023 0.000 1.321 323 A CA -0.637 51.417 52.037 0.029 0.000 0.924 323 A CB 0.898 19.921 19.000 0.038 0.000 1.512 323 A HN 0.440 nan 8.150 nan 0.000 0.492 324 N N -0.863 117.853 118.700 0.026 0.000 2.369 324 N HA 0.314 5.054 4.740 -0.000 0.000 0.287 324 N C -1.702 173.823 175.510 0.024 0.000 1.067 324 N CA -0.338 52.725 53.050 0.021 0.000 0.888 324 N CB 2.102 40.600 38.487 0.018 0.000 1.616 324 N HN 0.241 nan 8.380 nan 0.000 0.482 325 V N 3.848 123.773 119.914 0.019 0.000 2.381 325 V HA 0.189 4.309 4.120 -0.000 0.000 0.257 325 V C 0.491 176.597 176.094 0.020 0.000 1.057 325 V CA -0.063 62.250 62.300 0.021 0.000 1.013 325 V CB -0.307 31.525 31.823 0.014 0.000 1.069 325 V HN 0.452 nan 8.190 nan 0.000 0.484 326 I N 4.874 125.459 120.570 0.024 0.000 2.331 326 I HA 0.228 4.398 4.170 -0.000 0.000 0.292 326 I C 1.361 177.490 176.117 0.020 0.000 0.998 326 I CA 0.270 61.583 61.300 0.020 0.000 1.267 326 I CB 1.408 39.420 38.000 0.021 0.000 1.386 326 I HN 0.497 nan 8.210 nan 0.000 0.476 327 T N 4.169 118.733 114.554 0.016 0.000 3.009 327 T HA -0.019 4.331 4.350 -0.000 0.000 0.258 327 T C 0.935 175.643 174.700 0.014 0.000 1.063 327 T CA 0.680 62.788 62.100 0.015 0.000 1.139 327 T CB -0.145 68.730 68.868 0.012 0.000 0.890 327 T HN 0.405 nan 8.240 nan 0.000 0.471 328 N N 1.406 120.114 118.700 0.012 0.000 2.462 328 N HA 0.258 4.998 4.740 -0.000 0.000 0.242 328 N C 0.646 176.162 175.510 0.011 0.000 1.010 328 N CA -0.323 52.733 53.050 0.011 0.000 0.939 328 N CB 0.473 38.965 38.487 0.008 0.000 1.127 328 N HN 0.158 nan 8.380 nan 0.000 0.509 329 I N 3.254 123.831 120.570 0.011 0.000 2.454 329 I HA -0.220 3.950 4.170 -0.000 0.000 0.254 329 I C 1.459 177.581 176.117 0.007 0.000 1.156 329 I CA 1.144 62.450 61.300 0.011 0.000 1.433 329 I CB 0.255 38.262 38.000 0.012 0.000 1.082 329 I HN 0.431 nan 8.210 nan 0.000 0.432 330 K N 0.120 120.523 120.400 0.005 0.000 2.057 330 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 330 K C 1.178 177.780 176.600 0.003 0.000 1.050 330 K CA 1.521 57.809 56.287 0.003 0.000 0.935 330 K CB -0.608 31.893 32.500 0.002 0.000 0.715 330 K HN 0.352 nan 8.250 nan 0.000 0.439 331 D N 0.880 121.283 120.400 0.005 0.000 2.344 331 D HA -0.028 4.612 4.640 -0.000 0.000 0.242 331 D C -0.518 175.786 176.300 0.007 0.000 1.159 331 D CA -0.093 53.910 54.000 0.005 0.000 0.859 331 D CB -0.088 40.716 40.800 0.006 0.000 0.925 331 D HN -0.140 nan 8.370 nan 0.000 0.510 332 L N 0.951 122.178 121.223 0.007 0.000 2.462 332 L HA 0.196 4.536 4.340 -0.000 0.000 0.283 332 L C 0.257 177.131 176.870 0.007 0.000 1.166 332 L CA 0.161 55.006 54.840 0.009 0.000 0.964 332 L CB -0.275 41.790 42.059 0.010 0.000 1.294 332 L HN -0.152 nan 8.230 nan 0.000 0.449 333 S N 2.827 118.532 115.700 0.008 0.000 2.606 333 S HA 0.428 4.898 4.470 -0.000 0.000 0.257 333 S C 1.292 175.897 174.600 0.008 0.000 1.327 333 S CA 0.103 58.306 58.200 0.006 0.000 0.984 333 S CB 1.023 64.227 63.200 0.006 0.000 0.941 333 S HN 0.776 nan 8.310 nan 0.000 0.576 334 A N 1.016 123.839 122.820 0.006 0.000 2.275 334 A HA 0.235 4.555 4.320 -0.000 0.000 0.212 334 A C 1.104 178.694 177.584 0.009 0.000 1.201 334 A CA 0.182 52.223 52.037 0.007 0.000 0.843 334 A CB -0.157 18.845 19.000 0.004 0.000 0.873 334 A HN 0.702 nan 8.150 nan 0.000 0.492 335 Q N -0.288 119.518 119.800 0.009 0.000 2.171 335 Q HA 0.126 4.466 4.340 -0.000 0.000 0.218 335 Q C -0.265 175.743 176.000 0.013 0.000 0.822 335 Q CA 0.120 55.928 55.803 0.010 0.000 0.987 335 Q CB 0.617 29.359 28.738 0.006 0.000 1.144 335 Q HN 0.366 nan 8.270 nan 0.000 0.494 336 D N -0.009 120.400 120.400 0.015 0.000 2.319 336 D HA 0.078 4.718 4.640 -0.000 0.000 0.230 336 D C -0.271 176.046 176.300 0.027 0.000 1.094 336 D CA 0.247 54.259 54.000 0.019 0.000 0.856 336 D CB 0.351 41.162 40.800 0.019 0.000 0.915 336 D HN 0.241 nan 8.370 nan 0.000 0.517 337 L N 0.379 121.619 121.223 0.027 0.000 2.307 337 L HA 0.496 4.836 4.340 -0.000 0.000 0.282 337 L C 1.364 178.256 176.870 0.038 0.000 1.051 337 L CA -0.884 53.978 54.840 0.037 0.000 0.804 337 L CB 1.611 43.689 42.059 0.032 0.000 1.197 337 L HN -0.082 nan 8.230 nan 0.000 0.431 338 G N 1.000 109.830 108.800 0.050 0.000 2.508 338 G HA2 0.292 4.252 3.960 -0.000 0.000 0.278 338 G HA3 0.292 4.252 3.960 -0.000 0.000 0.278 338 G C -1.359 173.570 174.900 0.049 0.000 1.389 338 G CA -0.065 45.063 45.100 0.047 0.000 1.050 338 G HN 0.651 nan 8.290 nan 0.000 0.522 339 D N -1.597 118.832 120.400 0.049 0.000 2.764 339 D HA 0.550 5.190 4.640 -0.000 0.000 0.227 339 D C -0.569 175.762 176.300 0.052 0.000 1.347 339 D CA -0.123 53.906 54.000 0.049 0.000 0.953 339 D CB 1.485 42.309 40.800 0.040 0.000 1.476 339 D HN 0.560 nan 8.370 nan 0.000 0.585 340 A N 1.971 124.826 122.820 0.059 0.000 2.356 340 A HA 0.641 4.961 4.320 -0.000 0.000 0.310 340 A C 1.057 178.674 177.584 0.055 0.000 1.075 340 A CA -0.416 51.656 52.037 0.059 0.000 0.746 340 A CB 1.584 20.628 19.000 0.073 0.000 1.221 340 A HN 0.593 nan 8.150 nan 0.000 0.443 341 G N 0.515 109.344 108.800 0.047 0.000 2.990 341 G HA2 0.386 4.346 3.960 -0.000 0.000 0.206 341 G HA3 0.386 4.346 3.960 -0.000 0.000 0.206 341 G C 0.077 175.002 174.900 0.042 0.000 1.169 341 G CA 0.705 45.829 45.100 0.040 0.000 0.819 341 G HN 0.892 nan 8.290 nan 0.000 0.517 342 L N -0.416 120.841 121.223 0.056 0.000 2.830 342 L HA 0.340 4.680 4.340 -0.000 0.000 0.259 342 L C -1.767 175.157 176.870 0.090 0.000 0.926 342 L CA -0.700 54.176 54.840 0.060 0.000 0.993 342 L CB 1.963 44.052 42.059 0.050 0.000 1.589 342 L HN -0.175 nan 8.230 nan 0.000 0.460 343 V N 3.478 123.447 119.914 0.092 0.000 2.409 343 V HA 0.560 4.680 4.120 -0.000 0.000 0.290 343 V C -0.526 175.634 176.094 0.111 0.000 1.017 343 V CA -0.426 61.954 62.300 0.133 0.000 0.841 343 V CB 1.611 33.520 31.823 0.144 0.000 1.003 343 V HN 0.731 nan 8.190 nan 0.000 0.426 344 E N 3.016 123.302 120.200 0.144 0.000 2.340 344 E HA 0.445 4.795 4.350 -0.000 0.000 0.273 344 E C -1.157 175.532 176.600 0.149 0.000 0.891 344 E CA -0.699 55.757 56.400 0.094 0.000 0.757 344 E CB 2.552 32.262 29.700 0.016 0.000 1.231 344 E HN 0.737 nan 8.360 nan 0.000 0.439 345 E N 3.800 124.059 120.200 0.097 0.000 2.089 345 E HA 0.236 4.586 4.350 -0.000 0.000 0.284 345 E C -0.796 175.837 176.600 0.055 0.000 1.023 345 E CA -0.274 56.198 56.400 0.120 0.000 0.819 345 E CB 0.732 30.481 29.700 0.082 0.000 1.076 345 E HN 0.324 nan 8.360 nan 0.000 0.396 346 R N 3.338 123.883 120.500 0.076 0.000 2.832 346 R HA 0.398 4.738 4.340 -0.000 0.000 0.271 346 R C -0.505 175.839 176.300 0.073 0.000 0.996 346 R CA -0.936 55.136 56.100 -0.047 0.000 0.977 346 R CB 1.746 31.809 30.300 -0.395 0.000 1.168 346 R HN 0.281 nan 8.270 nan 0.000 0.482 347 K N 1.839 122.255 120.400 0.025 0.000 2.253 347 K HA 0.336 4.656 4.320 -0.000 0.000 0.277 347 K C -0.951 175.680 176.600 0.052 0.000 1.053 347 K CA -0.430 55.890 56.287 0.054 0.000 0.892 347 K CB 0.901 33.418 32.500 0.029 0.000 1.102 347 K HN 0.250 nan 8.250 nan 0.000 0.469 348 I N 2.284 122.921 120.570 0.112 0.000 2.439 348 I HA 0.033 4.203 4.170 -0.000 0.000 0.283 348 I C 0.065 176.234 176.117 0.087 0.000 1.023 348 I CA 0.448 61.817 61.300 0.115 0.000 1.100 348 I CB 1.666 39.815 38.000 0.248 0.000 1.238 348 I HN 0.721 nan 8.210 nan 0.000 0.445 349 S N 4.651 120.382 115.700 0.052 0.000 3.748 349 S HA -0.145 4.325 4.470 -0.000 0.000 0.329 349 S C 1.097 175.715 174.600 0.030 0.000 1.104 349 S CA 1.580 59.801 58.200 0.035 0.000 0.954 349 S CB -1.423 61.798 63.200 0.034 0.000 0.910 349 S HN 2.034 nan 8.310 nan 0.000 0.494 350 G N 0.325 109.143 108.800 0.030 0.000 3.586 350 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.212 350 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.212 350 G C -0.302 174.617 174.900 0.032 0.000 1.411 350 G CA 0.268 45.383 45.100 0.025 0.000 0.898 350 G HN 0.794 nan 8.290 nan 0.000 0.575 351 D N 1.827 122.249 120.400 0.037 0.000 2.423 351 D HA 0.476 5.116 4.640 -0.000 0.000 0.238 351 D C 0.804 177.144 176.300 0.067 0.000 1.142 351 D CA 0.965 54.990 54.000 0.042 0.000 0.884 351 D CB 1.310 42.131 40.800 0.034 0.000 1.199 351 D HN 0.788 nan 8.370 nan 0.000 0.438 352 S N 1.122 116.863 115.700 0.067 0.000 2.438 352 S HA 0.672 5.142 4.470 -0.000 0.000 0.316 352 S C -0.154 174.514 174.600 0.114 0.000 1.084 352 S CA -0.897 57.361 58.200 0.095 0.000 1.107 352 S CB 0.845 64.086 63.200 0.069 0.000 0.981 352 S HN 0.350 nan 8.310 nan 0.000 0.466 353 M N 2.646 122.361 119.600 0.191 0.000 2.716 353 M HA 0.536 5.016 4.480 -0.000 0.000 0.307 353 M C -0.925 175.537 176.300 0.269 0.000 1.223 353 M CA -0.755 54.637 55.300 0.154 0.000 0.871 353 M CB 2.121 34.726 32.600 0.008 0.000 1.739 353 M HN 0.571 nan 8.290 nan 0.000 0.475 354 I N 2.195 122.870 120.570 0.175 0.000 2.287 354 I HA 0.247 4.417 4.170 -0.000 0.000 0.290 354 I C -1.160 175.086 176.117 0.215 0.000 1.069 354 I CA -0.299 61.154 61.300 0.255 0.000 1.237 354 I CB 0.078 38.242 38.000 0.274 0.000 1.418 354 I HN 0.376 nan 8.210 nan 0.000 0.481 355 F N 5.704 125.695 119.950 0.069 0.000 2.438 355 F HA 0.204 4.731 4.527 -0.000 0.000 0.356 355 F C 0.699 176.538 175.800 0.064 0.000 1.099 355 F CA -0.412 57.616 58.000 0.047 0.000 1.185 355 F CB 0.918 39.936 39.000 0.031 0.000 1.115 355 F HN 0.073 nan 8.300 nan 0.000 0.526 356 V N 4.352 124.361 119.914 0.158 0.000 2.435 356 V HA 0.139 4.259 4.120 -0.000 0.000 0.263 356 V C 0.212 176.360 176.094 0.089 0.000 1.087 356 V CA -0.527 61.846 62.300 0.122 0.000 1.253 356 V CB -0.749 31.103 31.823 0.047 0.000 1.462 356 V HN 0.760 nan 8.190 nan 0.000 0.547 357 E N 0.871 121.146 120.200 0.125 0.000 2.849 357 E HA 0.406 4.756 4.350 -0.000 0.000 0.257 357 E C -0.277 176.364 176.600 0.068 0.000 1.306 357 E CA -0.774 55.685 56.400 0.099 0.000 1.058 357 E CB 0.545 30.331 29.700 0.142 0.000 1.249 357 E HN 0.344 nan 8.360 nan 0.000 0.638 358 E N -1.047 119.185 120.200 0.054 0.000 2.238 358 E HA -0.223 4.127 4.350 -0.000 0.000 0.219 358 E C -0.623 175.999 176.600 0.037 0.000 1.275 358 E CA 0.068 56.492 56.400 0.040 0.000 0.714 358 E CB -1.881 27.842 29.700 0.039 0.000 1.154 358 E HN 0.356 nan 8.360 nan 0.000 0.363 359 C N 0.504 119.823 119.300 0.033 0.000 2.563 359 C HA 0.120 4.580 4.460 -0.000 0.000 0.358 359 C C 2.020 177.031 174.990 0.037 0.000 1.336 359 C CA -0.609 58.429 59.018 0.034 0.000 2.454 359 C CB 0.846 28.601 27.740 0.026 0.000 2.448 359 C HN 0.433 nan 8.230 nan 0.000 0.670 360 K N 0.338 120.770 120.400 0.053 0.000 2.056 360 K HA 0.025 4.345 4.320 -0.000 0.000 0.205 360 K C 0.484 177.150 176.600 0.110 0.000 1.035 360 K CA 1.360 57.692 56.287 0.074 0.000 0.955 360 K CB -0.400 32.147 32.500 0.078 0.000 0.769 360 K HN 0.689 nan 8.250 nan 0.000 0.447 361 H N 1.610 120.684 119.070 0.006 0.000 2.418 361 H HA 0.266 4.822 4.556 -0.000 0.000 0.238 361 H C -2.627 172.702 175.328 0.001 0.000 1.403 361 H CA -2.194 53.856 56.048 0.004 0.000 1.419 361 H CB 0.451 30.215 29.762 0.004 0.000 1.463 361 H HN -0.063 nan 8.280 nan 0.000 0.515 362 P HA 0.136 nan 4.420 nan 0.000 0.276 362 P C 0.182 177.414 177.300 -0.114 0.000 1.243 362 P CA -0.487 62.566 63.100 -0.078 0.000 0.768 362 P CB 1.141 32.799 31.700 -0.070 0.000 0.856 363 K N 1.047 121.418 120.400 -0.049 0.000 2.373 363 K HA 0.476 4.796 4.320 -0.000 0.000 0.202 363 K C 0.238 176.817 176.600 -0.035 0.000 1.025 363 K CA -0.132 56.132 56.287 -0.038 0.000 1.115 363 K CB 0.660 33.162 32.500 0.003 0.000 0.858 363 K HN 0.498 nan 8.250 nan 0.000 0.525 364 A N 0.095 122.891 122.820 -0.040 0.000 2.498 364 A HA 0.771 5.091 4.320 -0.000 0.000 0.298 364 A C -1.095 176.462 177.584 -0.046 0.000 1.075 364 A CA -0.576 51.435 52.037 -0.042 0.000 0.714 364 A CB 1.773 20.746 19.000 -0.045 0.000 1.299 364 A HN -0.117 nan 8.150 nan 0.000 0.407 365 V N 0.150 120.037 119.914 -0.044 0.000 3.087 365 V HA 0.684 4.804 4.120 -0.000 0.000 0.306 365 V C -0.412 175.657 176.094 -0.042 0.000 1.187 365 V CA -0.531 61.745 62.300 -0.041 0.000 0.999 365 V CB 2.533 34.333 31.823 -0.038 0.000 1.049 365 V HN 0.958 nan 8.190 nan 0.000 0.431 366 T N 4.581 119.112 114.554 -0.039 0.000 2.792 366 T HA 0.510 4.860 4.350 -0.000 0.000 0.280 366 T C -0.418 174.264 174.700 -0.029 0.000 0.990 366 T CA -0.445 61.628 62.100 -0.044 0.000 0.960 366 T CB 1.091 69.919 68.868 -0.066 0.000 0.939 366 T HN 0.385 nan 8.240 nan 0.000 0.439 367 M N 3.897 123.481 119.600 -0.027 0.000 2.077 367 M HA 0.301 4.781 4.480 -0.000 0.000 0.348 367 M C -0.653 175.637 176.300 -0.016 0.000 1.252 367 M CA -0.875 54.416 55.300 -0.016 0.000 1.096 367 M CB 0.562 33.154 32.600 -0.014 0.000 1.568 367 M HN 0.372 nan 8.290 nan 0.000 0.456 368 L N 6.548 127.769 121.223 -0.003 0.000 2.295 368 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 368 L C -0.453 176.422 176.870 0.009 0.000 1.079 368 L CA 0.235 55.077 54.840 0.003 0.000 0.830 368 L CB -0.043 42.036 42.059 0.032 0.000 1.200 368 L HN 0.497 nan 8.230 nan 0.000 0.438 369 I N 5.728 126.299 120.570 0.001 0.000 2.440 369 I HA 0.460 4.630 4.170 -0.000 0.000 0.294 369 I C 0.129 176.251 176.117 0.009 0.000 0.995 369 I CA -0.652 60.651 61.300 0.004 0.000 1.306 369 I CB 0.796 38.796 38.000 -0.001 0.000 1.407 369 I HN 0.557 nan 8.210 nan 0.000 0.501 370 R N 3.685 124.192 120.500 0.011 0.000 2.740 370 R HA 0.820 5.160 4.340 -0.000 0.000 0.273 370 R C -0.732 175.574 176.300 0.010 0.000 0.998 370 R CA -1.055 55.053 56.100 0.013 0.000 0.900 370 R CB 2.525 32.837 30.300 0.021 0.000 1.223 370 R HN 0.876 nan 8.270 nan 0.000 0.466 371 G N -0.438 108.367 108.800 0.008 0.000 2.579 371 G HA2 0.247 4.207 3.960 -0.000 0.000 0.292 371 G HA3 0.247 4.207 3.960 -0.000 0.000 0.292 371 G C 0.513 175.417 174.900 0.006 0.000 1.484 371 G CA -0.248 44.856 45.100 0.008 0.000 0.813 371 G HN 0.505 nan 8.290 nan 0.000 0.515 372 T N -1.766 112.793 114.554 0.008 0.000 2.595 372 T HA 0.007 4.357 4.350 -0.000 0.000 0.264 372 T C 1.706 176.408 174.700 0.004 0.000 1.058 372 T CA 2.395 64.499 62.100 0.007 0.000 1.166 372 T CB -0.749 68.124 68.868 0.009 0.000 0.863 372 T HN 1.386 nan 8.240 nan 0.000 0.415 373 T N -1.039 113.519 114.554 0.007 0.000 2.893 373 T HA 0.510 4.860 4.350 -0.000 0.000 0.279 373 T C 0.984 175.670 174.700 -0.023 0.000 0.991 373 T CA -0.261 61.839 62.100 -0.001 0.000 0.950 373 T CB 1.854 70.735 68.868 0.021 0.000 1.223 373 T HN 0.158 nan 8.240 nan 0.000 0.585 374 E N -0.671 119.484 120.200 -0.074 0.000 2.086 374 E HA 0.012 4.362 4.350 -0.000 0.000 0.190 374 E C 1.801 178.302 176.600 -0.165 0.000 0.975 374 E CA 1.394 57.701 56.400 -0.155 0.000 0.813 374 E CB -0.508 29.031 29.700 -0.267 0.000 0.768 374 E HN 0.848 nan 8.360 nan 0.000 0.457 375 H N -1.140 117.932 119.070 0.003 0.000 2.529 375 H HA 0.086 4.642 4.556 -0.000 0.000 0.277 375 H C 1.851 177.180 175.328 0.003 0.000 0.999 375 H CA 0.757 56.807 56.048 0.003 0.000 1.256 375 H CB 0.468 30.232 29.762 0.003 0.000 1.402 375 H HN -0.007 nan 8.280 nan 0.000 0.566 376 V N 0.639 120.613 119.914 0.099 0.000 2.307 376 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 376 V C 2.219 178.335 176.094 0.036 0.000 1.045 376 V CA 1.682 64.016 62.300 0.057 0.000 1.024 376 V CB -0.323 31.523 31.823 0.038 0.000 0.651 376 V HN 0.426 nan 8.190 nan 0.000 0.449 377 I N -0.303 120.277 120.570 0.017 0.000 2.226 377 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 377 I C 2.591 178.715 176.117 0.011 0.000 1.100 377 I CA 1.698 63.002 61.300 0.006 0.000 1.374 377 I CB -0.313 37.681 38.000 -0.011 0.000 1.057 377 I HN 0.394 nan 8.210 nan 0.000 0.413 378 E N 0.486 120.697 120.200 0.018 0.000 2.208 378 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 378 E C 1.886 178.508 176.600 0.037 0.000 0.988 378 E CA 0.991 57.407 56.400 0.026 0.000 0.828 378 E CB 0.223 29.950 29.700 0.045 0.000 0.763 378 E HN 0.337 nan 8.360 nan 0.000 0.478 379 E N -0.315 119.913 120.200 0.046 0.000 2.250 379 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 379 E C 1.780 178.395 176.600 0.024 0.000 0.986 379 E CA 0.308 56.730 56.400 0.036 0.000 0.849 379 E CB 0.171 29.895 29.700 0.040 0.000 0.797 379 E HN 0.006 nan 8.360 nan 0.000 0.482 380 V N 0.652 120.579 119.914 0.022 0.000 2.594 380 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 380 V C 2.176 178.276 176.094 0.011 0.000 1.069 380 V CA 1.649 63.958 62.300 0.015 0.000 1.082 380 V CB -0.545 31.285 31.823 0.013 0.000 0.680 380 V HN 0.462 nan 8.190 nan 0.000 0.469 381 A N -0.323 122.504 122.820 0.011 0.000 1.898 381 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 381 A C 2.344 179.932 177.584 0.006 0.000 1.183 381 A CA 1.167 53.208 52.037 0.006 0.000 0.622 381 A CB -0.422 18.580 19.000 0.003 0.000 0.824 381 A HN 0.442 nan 8.150 nan 0.000 0.444 382 R N -0.478 120.029 120.500 0.011 0.000 2.193 382 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 382 R C 2.263 178.568 176.300 0.008 0.000 1.110 382 R CA 0.951 57.056 56.100 0.009 0.000 0.988 382 R CB -0.296 30.012 30.300 0.013 0.000 0.871 382 R HN 0.534 nan 8.270 nan 0.000 0.458 383 A N 0.274 123.100 122.820 0.010 0.000 1.898 383 A HA -0.053 4.267 4.320 -0.000 0.000 0.214 383 A C 2.192 179.781 177.584 0.007 0.000 1.183 383 A CA 0.845 52.888 52.037 0.010 0.000 0.622 383 A CB -0.194 18.814 19.000 0.013 0.000 0.824 383 A HN 0.103 nan 8.150 nan 0.000 0.444 384 V N 0.641 120.558 119.914 0.005 0.000 2.626 384 V HA -0.197 3.923 4.120 -0.000 0.000 0.252 384 V C 1.954 178.048 176.094 0.000 0.000 1.067 384 V CA 2.089 64.391 62.300 0.002 0.000 1.081 384 V CB -0.659 31.164 31.823 0.000 0.000 0.686 384 V HN 0.482 nan 8.190 nan 0.000 0.468 385 D N -0.095 120.305 120.400 0.000 0.000 2.183 385 D HA -0.125 4.515 4.640 -0.000 0.000 0.203 385 D C 1.812 178.111 176.300 -0.001 0.000 0.969 385 D CA 1.090 55.089 54.000 -0.002 0.000 0.842 385 D CB -0.030 40.769 40.800 -0.001 0.000 0.957 385 D HN 0.421 nan 8.370 nan 0.000 0.484 386 D N 0.488 120.889 120.400 0.001 0.000 2.137 386 D HA -0.026 4.614 4.640 -0.000 0.000 0.202 386 D C 2.045 178.346 176.300 0.002 0.000 0.970 386 D CA 0.890 54.891 54.000 0.001 0.000 0.837 386 D CB -0.235 40.566 40.800 0.003 0.000 0.981 386 D HN 0.061 nan 8.370 nan 0.000 0.475 387 A N 0.891 123.713 122.820 0.003 0.000 1.849 387 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 387 A C 2.480 180.064 177.584 -0.000 0.000 1.202 387 A CA 1.858 53.896 52.037 0.003 0.000 0.629 387 A CB -1.061 17.941 19.000 0.004 0.000 0.834 387 A HN 0.136 nan 8.150 nan 0.000 0.447 388 V N 0.083 119.996 119.914 -0.002 0.000 2.636 388 V HA -0.241 3.879 4.120 -0.000 0.000 0.258 388 V C 2.564 178.655 176.094 -0.005 0.000 1.092 388 V CA 1.939 64.236 62.300 -0.005 0.000 1.110 388 V CB -1.521 30.297 31.823 -0.007 0.000 0.685 388 V HN 0.686 nan 8.190 nan 0.000 0.481 389 G N 0.422 109.220 108.800 -0.003 0.000 2.425 389 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.213 389 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.213 389 G C 1.650 176.549 174.900 -0.003 0.000 1.201 389 G CA 1.127 46.225 45.100 -0.003 0.000 0.799 389 G HN 0.536 nan 8.290 nan 0.000 0.534 390 V N -0.853 119.061 119.914 -0.001 0.000 2.515 390 V HA -0.073 4.047 4.120 -0.000 0.000 0.250 390 V C 2.658 178.751 176.094 -0.001 0.000 1.058 390 V CA 1.314 63.614 62.300 -0.001 0.000 1.064 390 V CB -0.740 31.084 31.823 0.001 0.000 0.675 390 V HN 0.123 nan 8.190 nan 0.000 0.461 391 V N 2.043 121.957 119.914 -0.001 0.000 2.270 391 V HA -0.085 4.035 4.120 -0.000 0.000 0.245 391 V C 2.938 179.030 176.094 -0.003 0.000 1.043 391 V CA 2.433 64.732 62.300 -0.001 0.000 1.014 391 V CB -1.432 30.390 31.823 -0.002 0.000 0.645 391 V HN 0.610 nan 8.190 nan 0.000 0.447 392 G N -1.704 107.094 108.800 -0.004 0.000 2.475 392 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 392 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 392 G C 1.692 176.590 174.900 -0.004 0.000 1.125 392 G CA 1.365 46.462 45.100 -0.005 0.000 0.755 392 G HN 0.539 nan 8.290 nan 0.000 0.565 393 C N 0.297 119.595 119.300 -0.003 0.000 2.464 393 C HA 0.082 4.542 4.460 -0.000 0.000 0.278 393 C C 3.172 178.161 174.990 -0.002 0.000 1.375 393 C CA 1.457 60.474 59.018 -0.002 0.000 1.761 393 C CB -0.745 26.994 27.740 -0.002 0.000 1.944 393 C HN 0.475 nan 8.230 nan 0.000 0.509 394 T N 1.134 115.687 114.554 -0.001 0.000 2.735 394 T HA -0.009 4.341 4.350 -0.000 0.000 0.256 394 T C 1.699 176.399 174.700 -0.000 0.000 1.042 394 T CA 1.111 63.211 62.100 -0.000 0.000 1.147 394 T CB -0.259 68.610 68.868 0.001 0.000 0.865 394 T HN 0.398 nan 8.240 nan 0.000 0.421 395 I N 1.338 121.908 120.570 -0.001 0.000 2.113 395 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 395 I C 2.771 178.887 176.117 -0.001 0.000 1.057 395 I CA 1.738 63.038 61.300 -0.001 0.000 1.314 395 I CB -0.462 37.536 38.000 -0.003 0.000 1.022 395 I HN 0.368 nan 8.210 nan 0.000 0.408 396 E N 0.416 120.615 120.200 -0.001 0.000 2.017 396 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 396 E C 1.853 178.453 176.600 -0.001 0.000 0.997 396 E CA 1.571 57.971 56.400 -0.001 0.000 0.804 396 E CB -0.062 29.637 29.700 -0.002 0.000 0.757 396 E HN 0.466 nan 8.360 nan 0.000 0.448 397 D N -1.459 118.940 120.400 -0.001 0.000 2.084 397 D HA -0.065 4.575 4.640 -0.000 0.000 0.199 397 D C 1.501 177.800 176.300 -0.001 0.000 0.981 397 D CA 1.750 55.750 54.000 -0.001 0.000 0.841 397 D CB -0.158 40.641 40.800 -0.001 0.000 0.997 397 D HN 0.391 nan 8.370 nan 0.000 0.454 398 G N -0.218 108.582 108.800 -0.000 0.000 2.232 398 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 398 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 398 G C 0.445 175.345 174.900 0.001 0.000 0.996 398 G CA 0.059 45.159 45.100 0.001 0.000 0.626 398 G HN 0.332 nan 8.290 nan 0.000 0.509 399 R N 0.344 120.844 120.500 0.000 0.000 2.664 399 R HA 0.833 5.173 4.340 -0.000 0.000 0.286 399 R C 0.308 176.609 176.300 0.001 0.000 0.967 399 R CA -0.305 55.796 56.100 0.001 0.000 0.933 399 R CB 1.757 32.057 30.300 -0.000 0.000 1.146 399 R HN 0.629 nan 8.270 nan 0.000 0.468 400 I N -1.510 119.061 120.570 0.002 0.000 3.191 400 I HA 0.742 4.912 4.170 -0.000 0.000 0.313 400 I C -0.827 175.293 176.117 0.005 0.000 1.193 400 I CA -1.120 60.182 61.300 0.003 0.000 0.968 400 I CB 2.248 40.251 38.000 0.004 0.000 1.262 400 I HN 0.506 nan 8.210 nan 0.000 0.456 401 V N 0.297 120.214 119.914 0.005 0.000 3.119 401 V HA 0.776 4.896 4.120 -0.000 0.000 0.311 401 V C -0.277 175.824 176.094 0.011 0.000 1.259 401 V CA -0.246 62.059 62.300 0.009 0.000 1.067 401 V CB 1.390 33.217 31.823 0.007 0.000 1.123 401 V HN 1.018 nan 8.190 nan 0.000 0.463 402 S N 0.400 116.109 115.700 0.016 0.000 2.442 402 S HA 0.783 5.253 4.470 -0.000 0.000 0.297 402 S C 0.401 175.010 174.600 0.014 0.000 1.131 402 S CA 0.049 58.260 58.200 0.018 0.000 1.092 402 S CB 0.644 63.862 63.200 0.030 0.000 0.998 402 S HN 1.733 nan 8.310 nan 0.000 0.478 403 G N 1.508 110.312 108.800 0.007 0.000 2.481 403 G HA2 0.464 4.424 3.960 -0.000 0.000 0.251 403 G HA3 0.464 4.424 3.960 -0.000 0.000 0.251 403 G C 1.093 175.989 174.900 -0.007 0.000 1.492 403 G CA -0.376 44.722 45.100 -0.003 0.000 1.060 403 G HN 2.071 nan 8.290 nan 0.000 0.553 404 G N -2.390 106.396 108.800 -0.024 0.000 2.168 404 G HA2 0.221 4.181 3.960 -0.000 0.000 0.263 404 G HA3 0.221 4.181 3.960 -0.000 0.000 0.263 404 G C 1.513 176.394 174.900 -0.032 0.000 0.977 404 G CA 1.184 46.262 45.100 -0.038 0.000 0.659 404 G HN 2.512 nan 8.290 nan 0.000 0.533 405 G N -1.392 107.390 108.800 -0.029 0.000 2.141 405 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.242 405 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.242 405 G C 1.302 176.184 174.900 -0.030 0.000 0.982 405 G CA 1.613 46.692 45.100 -0.035 0.000 0.662 405 G HN 1.752 nan 8.290 nan 0.000 0.527 406 S N 0.102 115.800 115.700 -0.003 0.000 2.349 406 S HA -0.114 4.356 4.470 -0.000 0.000 0.216 406 S C 2.679 177.266 174.600 -0.022 0.000 1.033 406 S CA 2.825 61.046 58.200 0.036 0.000 1.021 406 S CB -0.531 62.714 63.200 0.075 0.000 0.968 406 S HN 1.375 nan 8.310 nan 0.000 0.426 407 T N -0.939 113.610 114.554 -0.008 0.000 3.228 407 T HA 0.141 4.491 4.350 -0.000 0.000 0.261 407 T C 1.099 175.764 174.700 -0.058 0.000 1.171 407 T CA 0.921 63.007 62.100 -0.023 0.000 1.056 407 T CB -0.258 68.609 68.868 -0.002 0.000 0.938 407 T HN 0.354 nan 8.240 nan 0.000 0.539 408 E N 0.379 120.533 120.200 -0.077 0.000 2.166 408 E HA 0.152 4.502 4.350 -0.000 0.000 0.192 408 E C 2.123 178.651 176.600 -0.121 0.000 0.967 408 E CA 0.210 56.562 56.400 -0.079 0.000 0.840 408 E CB -0.027 29.632 29.700 -0.068 0.000 0.795 408 E HN 0.327 nan 8.360 nan 0.000 0.470 409 V N 0.912 120.707 119.914 -0.198 0.000 2.488 409 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 409 V C 2.190 178.051 176.094 -0.389 0.000 1.046 409 V CA 1.675 63.807 62.300 -0.280 0.000 1.053 409 V CB -0.184 31.432 31.823 -0.346 0.000 0.679 409 V HN 0.212 nan 8.190 nan 0.000 0.458 410 E N 0.855 120.764 120.200 -0.485 0.000 2.001 410 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 410 E C 1.979 178.513 176.600 -0.109 0.000 1.002 410 E CA 1.594 57.829 56.400 -0.275 0.000 0.819 410 E CB -0.640 29.011 29.700 -0.083 0.000 0.769 410 E HN 0.291 nan 8.360 nan 0.000 0.454 411 L N 0.712 121.889 121.223 -0.077 0.000 2.351 411 L HA -0.141 4.199 4.340 -0.000 0.000 0.220 411 L C 2.194 179.055 176.870 -0.015 0.000 1.127 411 L CA 2.262 57.082 54.840 -0.033 0.000 0.786 411 L CB -0.882 41.165 42.059 -0.020 0.000 0.914 411 L HN 0.372 nan 8.230 nan 0.000 0.443 412 S N -1.234 114.445 115.700 -0.035 0.000 2.441 412 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 412 S C 1.964 176.569 174.600 0.008 0.000 1.043 412 S CA 0.577 58.776 58.200 -0.002 0.000 0.948 412 S CB -0.267 62.917 63.200 -0.027 0.000 0.810 412 S HN 0.583 nan 8.310 nan 0.000 0.504 413 M N 0.768 120.358 119.600 -0.016 0.000 2.193 413 M HA 0.257 4.737 4.480 -0.000 0.000 0.265 413 M C 1.984 178.304 176.300 0.033 0.000 1.071 413 M CA 1.076 56.382 55.300 0.011 0.000 1.140 413 M CB -0.478 32.127 32.600 0.008 0.000 1.369 413 M HN -0.079 nan 8.290 nan 0.000 0.423 414 K N 1.557 121.972 120.400 0.026 0.000 2.044 414 K HA -0.055 4.265 4.320 -0.000 0.000 0.210 414 K C 2.152 178.792 176.600 0.065 0.000 1.049 414 K CA 1.526 57.838 56.287 0.041 0.000 0.927 414 K CB -1.035 31.479 32.500 0.022 0.000 0.713 414 K HN 0.508 nan 8.250 nan 0.000 0.443 415 L N 0.404 121.656 121.223 0.048 0.000 2.187 415 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 415 L C 2.723 179.676 176.870 0.138 0.000 1.100 415 L CA 0.954 55.837 54.840 0.071 0.000 0.765 415 L CB -0.222 41.867 42.059 0.049 0.000 0.904 415 L HN 0.218 nan 8.230 nan 0.000 0.437 416 R N 0.170 120.730 120.500 0.100 0.000 2.119 416 R HA -0.144 4.196 4.340 -0.000 0.000 0.222 416 R C 2.226 178.578 176.300 0.086 0.000 1.088 416 R CA 1.274 57.429 56.100 0.091 0.000 0.984 416 R CB 0.126 30.463 30.300 0.062 0.000 0.884 416 R HN 0.559 nan 8.270 nan 0.000 0.447 417 E N -0.875 119.376 120.200 0.086 0.000 2.076 417 E HA -0.241 4.109 4.350 -0.000 0.000 0.190 417 E C 1.770 178.415 176.600 0.074 0.000 0.979 417 E CA 0.813 57.252 56.400 0.065 0.000 0.807 417 E CB -0.810 28.923 29.700 0.056 0.000 0.761 417 E HN 0.430 nan 8.360 nan 0.000 0.454 418 Y N 2.037 122.337 120.300 -0.000 0.000 2.365 418 Y HA -0.225 4.325 4.550 -0.000 0.000 0.287 418 Y C 2.263 178.160 175.900 -0.005 0.000 1.162 418 Y CA 1.502 59.597 58.100 -0.008 0.000 1.260 418 Y CB -0.237 38.212 38.460 -0.020 0.000 0.976 418 Y HN 0.180 nan 8.280 nan 0.000 0.548 419 A N 0.161 123.010 122.820 0.048 0.000 2.014 419 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 419 A C 2.009 179.548 177.584 -0.075 0.000 1.163 419 A CA 1.392 53.433 52.037 0.007 0.000 0.652 419 A CB -0.437 18.619 19.000 0.093 0.000 0.808 419 A HN 0.670 nan 8.150 nan 0.000 0.449 420 E N -0.347 119.812 120.200 -0.069 0.000 2.158 420 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 420 E C 1.631 178.166 176.600 -0.107 0.000 0.982 420 E CA 0.514 56.876 56.400 -0.063 0.000 0.823 420 E CB -0.278 29.402 29.700 -0.034 0.000 0.766 420 E HN 0.538 nan 8.360 nan 0.000 0.468 421 G N 1.732 110.426 108.800 -0.176 0.000 3.262 421 G HA2 0.074 4.034 3.960 -0.000 0.000 0.222 421 G HA3 0.074 4.034 3.960 -0.000 0.000 0.222 421 G C 0.342 175.097 174.900 -0.243 0.000 1.269 421 G CA -0.017 44.962 45.100 -0.202 0.000 1.032 421 G HN 0.055 nan 8.290 nan 0.000 0.502 422 I N 1.540 121.992 120.570 -0.197 0.000 2.410 422 I HA 0.225 4.395 4.170 -0.000 0.000 0.286 422 I C -0.178 175.890 176.117 -0.081 0.000 1.009 422 I CA -0.711 60.496 61.300 -0.155 0.000 1.111 422 I CB 2.022 39.933 38.000 -0.149 0.000 1.262 422 I HN 0.050 nan 8.210 nan 0.000 0.443 423 S N 4.276 119.938 115.700 -0.063 0.000 2.554 423 S HA 0.913 5.383 4.470 -0.000 0.000 0.278 423 S C 0.221 174.805 174.600 -0.027 0.000 1.242 423 S CA -0.195 57.982 58.200 -0.039 0.000 1.051 423 S CB 1.855 65.034 63.200 -0.035 0.000 0.986 423 S HN 1.221 nan 8.310 nan 0.000 0.502 424 G N 2.046 110.835 108.800 -0.018 0.000 2.525 424 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.685 424 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.685 424 G C 0.046 174.944 174.900 -0.004 0.000 1.290 424 G CA -0.432 44.661 45.100 -0.011 0.000 0.915 424 G HN 0.669 nan 8.290 nan 0.000 0.548 425 R N 0.629 121.129 120.500 0.001 0.000 2.096 425 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 425 R C 2.589 178.897 176.300 0.013 0.000 1.127 425 R CA 2.128 58.232 56.100 0.007 0.000 0.968 425 R CB -0.361 29.944 30.300 0.009 0.000 0.861 425 R HN 0.822 nan 8.270 nan 0.000 0.440 426 E N 0.653 120.860 120.200 0.012 0.000 2.394 426 E HA -0.321 4.029 4.350 -0.000 0.000 0.202 426 E C 1.759 178.385 176.600 0.043 0.000 1.029 426 E CA 1.162 57.577 56.400 0.025 0.000 0.855 426 E CB -0.234 29.480 29.700 0.023 0.000 0.770 426 E HN 0.449 nan 8.360 nan 0.000 0.527 427 Q N 1.049 120.866 119.800 0.028 0.000 2.046 427 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 427 Q C 2.299 178.336 176.000 0.061 0.000 0.975 427 Q CA 1.393 57.217 55.803 0.034 0.000 0.836 427 Q CB -0.068 28.675 28.738 0.008 0.000 0.896 427 Q HN 0.470 nan 8.270 nan 0.000 0.428 428 L N 0.470 121.723 121.223 0.050 0.000 2.043 428 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 428 L C 2.650 179.580 176.870 0.100 0.000 1.075 428 L CA 1.267 56.143 54.840 0.060 0.000 0.752 428 L CB -0.871 41.211 42.059 0.037 0.000 0.891 428 L HN 0.287 nan 8.230 nan 0.000 0.432 429 A N -0.083 122.793 122.820 0.095 0.000 1.873 429 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 429 A C 2.353 180.131 177.584 0.323 0.000 1.193 429 A CA 2.292 54.422 52.037 0.156 0.000 0.629 429 A CB -1.055 17.988 19.000 0.071 0.000 0.826 429 A HN 0.200 nan 8.150 nan 0.000 0.447 430 V N -0.009 120.049 119.914 0.241 0.000 2.407 430 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 430 V C 2.672 178.911 176.094 0.241 0.000 1.055 430 V CA 2.259 64.707 62.300 0.247 0.000 1.049 430 V CB -0.844 31.101 31.823 0.203 0.000 0.662 430 V HN 0.521 nan 8.190 nan 0.000 0.455 431 R N 0.105 120.715 120.500 0.183 0.000 2.066 431 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 431 R C 2.475 178.873 176.300 0.163 0.000 1.131 431 R CA 1.390 57.578 56.100 0.147 0.000 0.955 431 R CB -0.630 29.728 30.300 0.098 0.000 0.851 431 R HN 0.513 nan 8.270 nan 0.000 0.432 432 A N 0.822 123.759 122.820 0.195 0.000 1.940 432 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 432 A C 1.967 179.664 177.584 0.189 0.000 1.176 432 A CA 1.180 53.335 52.037 0.197 0.000 0.631 432 A CB -0.649 18.501 19.000 0.249 0.000 0.814 432 A HN 0.390 nan 8.150 nan 0.000 0.446 433 F N 0.432 120.446 119.950 0.107 0.000 2.186 433 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 433 F C 2.474 178.229 175.800 -0.074 0.000 1.090 433 F CA 1.080 59.016 58.000 -0.106 0.000 1.307 433 F CB -0.060 38.860 39.000 -0.132 0.000 1.019 433 F HN 0.268 nan 8.300 nan 0.000 0.489 434 A N -0.042 122.955 122.820 0.295 0.000 1.873 434 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 434 A C 1.846 179.466 177.584 0.059 0.000 1.186 434 A CA 1.876 54.024 52.037 0.184 0.000 0.616 434 A CB -0.894 18.194 19.000 0.146 0.000 0.823 434 A HN 0.373 nan 8.150 nan 0.000 0.442 435 D N 0.185 120.611 120.400 0.043 0.000 2.178 435 D HA -0.009 4.631 4.640 -0.000 0.000 0.202 435 D C 2.167 178.439 176.300 -0.048 0.000 0.974 435 D CA 1.257 55.259 54.000 0.003 0.000 0.841 435 D CB -0.384 40.428 40.800 0.019 0.000 0.953 435 D HN 0.415 nan 8.370 nan 0.000 0.478 436 A N 0.930 123.690 122.820 -0.100 0.000 1.883 436 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 436 A C 2.263 179.741 177.584 -0.176 0.000 1.186 436 A CA 1.056 52.983 52.037 -0.184 0.000 0.624 436 A CB -0.891 17.886 19.000 -0.372 0.000 0.822 436 A HN 0.265 nan 8.150 nan 0.000 0.444 437 L N -0.638 120.481 121.223 -0.173 0.000 2.353 437 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 437 L C 1.909 178.723 176.870 -0.092 0.000 1.133 437 L CA 0.968 55.728 54.840 -0.134 0.000 0.798 437 L CB -0.605 41.406 42.059 -0.080 0.000 0.922 437 L HN 0.477 nan 8.230 nan 0.000 0.445 438 E N -0.364 119.790 120.200 -0.077 0.000 2.512 438 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 438 E C 1.913 178.477 176.600 -0.060 0.000 1.083 438 E CA -0.029 56.334 56.400 -0.062 0.000 0.873 438 E CB 0.289 29.961 29.700 -0.046 0.000 0.897 438 E HN 0.243 nan 8.360 nan 0.000 0.514 439 V N 0.715 120.586 119.914 -0.072 0.000 2.951 439 V HA -0.148 3.972 4.120 -0.000 0.000 0.255 439 V C 1.626 177.684 176.094 -0.059 0.000 1.088 439 V CA 0.763 63.025 62.300 -0.065 0.000 1.109 439 V CB -0.056 31.721 31.823 -0.076 0.000 0.724 439 V HN 0.279 nan 8.190 nan 0.000 0.471 440 I N 0.989 121.521 120.570 -0.063 0.000 2.277 440 I HA -0.006 4.164 4.170 -0.000 0.000 0.243 440 I C 0.016 176.102 176.117 -0.051 0.000 1.094 440 I CA 1.271 62.537 61.300 -0.056 0.000 1.393 440 I CB -2.659 35.307 38.000 -0.057 0.000 1.078 440 I HN 0.335 nan 8.210 nan 0.000 0.417 441 P HA -0.124 nan 4.420 nan 0.000 0.217 441 P C 1.863 179.137 177.300 -0.042 0.000 1.150 441 P CA 1.430 64.503 63.100 -0.046 0.000 0.832 441 P CB -0.061 31.613 31.700 -0.044 0.000 0.787 442 R N -0.271 120.205 120.500 -0.041 0.000 2.062 442 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 442 R C 2.326 178.604 176.300 -0.036 0.000 1.136 442 R CA 2.385 58.463 56.100 -0.035 0.000 0.948 442 R CB -1.114 29.165 30.300 -0.034 0.000 0.845 442 R HN 0.221 nan 8.270 nan 0.000 0.430 443 T N -1.172 113.358 114.554 -0.039 0.000 2.951 443 T HA -0.022 4.328 4.350 -0.000 0.000 0.268 443 T C 1.924 176.601 174.700 -0.039 0.000 1.073 443 T CA 0.876 62.954 62.100 -0.036 0.000 1.134 443 T CB -0.205 68.641 68.868 -0.037 0.000 0.884 443 T HN 0.201 nan 8.240 nan 0.000 0.479 444 L N 0.853 122.049 121.223 -0.046 0.000 2.083 444 L HA 0.022 4.362 4.340 -0.000 0.000 0.209 444 L C 3.351 180.186 176.870 -0.058 0.000 1.083 444 L CA 1.295 56.101 54.840 -0.056 0.000 0.752 444 L CB -0.808 41.212 42.059 -0.066 0.000 0.899 444 L HN 0.413 nan 8.230 nan 0.000 0.433 445 A N -0.151 122.640 122.820 -0.049 0.000 1.873 445 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 445 A C 2.157 179.722 177.584 -0.033 0.000 1.186 445 A CA 1.550 53.562 52.037 -0.042 0.000 0.616 445 A CB -0.438 18.543 19.000 -0.033 0.000 0.823 445 A HN 0.402 nan 8.150 nan 0.000 0.442 446 E N 0.056 120.238 120.200 -0.029 0.000 2.021 446 E HA -0.240 4.110 4.350 -0.000 0.000 0.200 446 E C 1.869 178.457 176.600 -0.019 0.000 1.015 446 E CA 1.532 57.918 56.400 -0.022 0.000 0.824 446 E CB -0.244 29.443 29.700 -0.022 0.000 0.762 446 E HN 0.583 nan 8.360 nan 0.000 0.454 447 N N 0.498 119.185 118.700 -0.022 0.000 2.205 447 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 447 N C 1.528 177.030 175.510 -0.013 0.000 1.015 447 N CA 1.286 54.326 53.050 -0.017 0.000 0.862 447 N CB -0.434 38.042 38.487 -0.019 0.000 0.986 447 N HN 0.165 nan 8.380 nan 0.000 0.429 448 A N -0.241 122.565 122.820 -0.024 0.000 2.067 448 A HA 0.264 4.584 4.320 -0.000 0.000 0.219 448 A C 1.797 179.379 177.584 -0.004 0.000 1.158 448 A CA 1.603 53.628 52.037 -0.019 0.000 0.661 448 A CB -0.459 18.512 19.000 -0.047 0.000 0.801 448 A HN 0.410 nan 8.150 nan 0.000 0.452 449 G N -2.453 106.342 108.800 -0.008 0.000 2.195 449 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.224 449 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.224 449 G C 0.121 175.019 174.900 -0.004 0.000 0.990 449 G CA 0.156 45.255 45.100 -0.002 0.000 0.639 449 G HN 0.417 nan 8.290 nan 0.000 0.514 450 L N 1.048 122.266 121.223 -0.009 0.000 2.476 450 L HA 0.518 4.858 4.340 -0.000 0.000 0.255 450 L C 0.784 177.648 176.870 -0.010 0.000 1.218 450 L CA -0.076 54.758 54.840 -0.009 0.000 0.819 450 L CB 0.352 42.403 42.059 -0.013 0.000 1.119 450 L HN 0.170 nan 8.230 nan 0.000 0.485 451 D N 0.121 120.516 120.400 -0.007 0.000 2.402 451 D HA 0.287 4.927 4.640 -0.000 0.000 0.235 451 D C 0.875 177.169 176.300 -0.009 0.000 1.226 451 D CA 0.240 54.236 54.000 -0.007 0.000 0.918 451 D CB 1.159 41.956 40.800 -0.004 0.000 1.043 451 D HN 0.580 nan 8.370 nan 0.000 0.506 452 A N 4.702 127.515 122.820 -0.012 0.000 1.927 452 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 452 A C 2.177 179.754 177.584 -0.012 0.000 1.185 452 A CA 1.347 53.375 52.037 -0.015 0.000 0.639 452 A CB -0.580 18.410 19.000 -0.017 0.000 0.820 452 A HN 0.761 nan 8.150 nan 0.000 0.451 453 I N -1.179 119.385 120.570 -0.009 0.000 2.286 453 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 453 I C 2.536 178.651 176.117 -0.003 0.000 1.104 453 I CA 1.746 63.042 61.300 -0.006 0.000 1.397 453 I CB -0.541 37.456 38.000 -0.005 0.000 1.072 453 I HN 0.461 nan 8.210 nan 0.000 0.417 454 E N 2.175 122.374 120.200 -0.003 0.000 2.007 454 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 454 E C 2.214 178.815 176.600 0.001 0.000 0.999 454 E CA 1.527 57.927 56.400 0.000 0.000 0.811 454 E CB -0.264 29.436 29.700 0.000 0.000 0.762 454 E HN 0.313 nan 8.360 nan 0.000 0.450 455 I N 0.397 120.966 120.570 -0.002 0.000 2.290 455 I HA -0.282 3.888 4.170 -0.000 0.000 0.253 455 I C 2.263 178.380 176.117 0.002 0.000 1.112 455 I CA 0.858 62.157 61.300 -0.002 0.000 1.377 455 I CB -0.383 37.612 38.000 -0.009 0.000 1.060 455 I HN 0.275 nan 8.210 nan 0.000 0.428 456 L N 0.178 121.400 121.223 -0.002 0.000 2.141 456 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 456 L C 2.329 179.204 176.870 0.008 0.000 1.094 456 L CA 1.458 56.297 54.840 -0.002 0.000 0.763 456 L CB -0.348 41.705 42.059 -0.009 0.000 0.908 456 L HN -0.027 nan 8.230 nan 0.000 0.437 457 V N -0.865 119.054 119.914 0.009 0.000 2.379 457 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 457 V C 2.467 178.575 176.094 0.022 0.000 1.044 457 V CA 1.528 63.837 62.300 0.014 0.000 1.036 457 V CB -0.721 31.109 31.823 0.010 0.000 0.664 457 V HN 0.391 nan 8.190 nan 0.000 0.453 458 K N 0.364 120.775 120.400 0.020 0.000 2.009 458 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 458 K C 2.072 178.697 176.600 0.042 0.000 1.049 458 K CA 1.736 58.036 56.287 0.023 0.000 0.929 458 K CB -0.630 31.879 32.500 0.015 0.000 0.714 458 K HN 0.369 nan 8.250 nan 0.000 0.440 459 V N 1.237 121.182 119.914 0.051 0.000 2.867 459 V HA -0.183 3.937 4.120 -0.000 0.000 0.260 459 V C 2.203 178.397 176.094 0.165 0.000 1.099 459 V CA 1.440 63.802 62.300 0.103 0.000 1.122 459 V CB -0.582 31.288 31.823 0.078 0.000 0.708 459 V HN 0.281 nan 8.190 nan 0.000 0.490 460 R N -0.443 120.112 120.500 0.090 0.000 2.210 460 R HA 0.124 4.464 4.340 -0.000 0.000 0.203 460 R C 2.259 178.616 176.300 0.095 0.000 1.010 460 R CA 0.932 57.082 56.100 0.083 0.000 1.008 460 R CB -0.125 30.195 30.300 0.034 0.000 0.923 460 R HN 0.504 nan 8.270 nan 0.000 0.469 461 A N 0.471 123.332 122.820 0.070 0.000 1.930 461 A HA 0.046 4.366 4.320 -0.000 0.000 0.215 461 A C 2.028 179.638 177.584 0.043 0.000 1.176 461 A CA 1.201 53.267 52.037 0.049 0.000 0.632 461 A CB -0.320 18.698 19.000 0.028 0.000 0.819 461 A HN 0.349 nan 8.150 nan 0.000 0.445 462 A N -1.656 121.187 122.820 0.038 0.000 2.264 462 A HA -0.023 4.297 4.320 -0.000 0.000 0.207 462 A C 1.302 178.792 177.584 -0.156 0.000 1.196 462 A CA 0.715 52.725 52.037 -0.045 0.000 0.778 462 A CB -0.692 18.269 19.000 -0.064 0.000 0.779 462 A HN 0.639 nan 8.150 nan 0.000 0.483 463 H N -1.261 117.811 119.070 0.003 0.000 2.674 463 H HA 0.322 4.878 4.556 -0.000 0.000 0.274 463 H C 0.768 176.100 175.328 0.007 0.000 1.121 463 H CA 0.441 56.491 56.048 0.004 0.000 1.132 463 H CB 0.439 30.203 29.762 0.005 0.000 1.606 463 H HN 0.432 nan 8.280 nan 0.000 0.558 464 A N 1.693 124.559 122.820 0.075 0.000 3.052 464 A HA 0.190 4.510 4.320 -0.000 0.000 0.266 464 A C 1.413 179.019 177.584 0.037 0.000 1.855 464 A CA 0.629 52.699 52.037 0.055 0.000 1.473 464 A CB -0.750 18.271 19.000 0.036 0.000 1.038 464 A HN 0.551 nan 8.150 nan 0.000 0.619 465 S N 0.221 115.949 115.700 0.048 0.000 2.378 465 S HA -0.350 4.120 4.470 -0.000 0.000 0.240 465 S C 0.968 175.579 174.600 0.019 0.000 1.229 465 S CA 1.566 59.787 58.200 0.035 0.000 1.607 465 S CB -2.360 60.857 63.200 0.028 0.000 2.074 465 S HN 0.982 nan 8.310 nan 0.000 0.620 466 N N 3.376 122.081 118.700 0.007 0.000 2.185 466 N HA 0.423 5.163 4.740 -0.000 0.000 0.243 466 N C 1.270 176.767 175.510 -0.022 0.000 1.276 466 N CA 0.400 53.446 53.050 -0.007 0.000 0.941 466 N CB -1.148 37.330 38.487 -0.014 0.000 1.129 466 N HN 0.753 nan 8.380 nan 0.000 0.417 467 G N -0.944 107.828 108.800 -0.048 0.000 2.563 467 G HA2 0.117 4.077 3.960 -0.000 0.000 0.283 467 G HA3 0.117 4.077 3.960 -0.000 0.000 0.283 467 G C 0.330 175.123 174.900 -0.177 0.000 1.309 467 G CA -0.249 44.800 45.100 -0.086 0.000 1.022 467 G HN 0.463 nan 8.290 nan 0.000 0.501 468 N N -0.901 117.590 118.700 -0.349 0.000 2.397 468 N HA 0.008 4.748 4.740 -0.000 0.000 0.190 468 N C 1.465 176.893 175.510 -0.137 0.000 1.099 468 N CA 0.780 53.697 53.050 -0.222 0.000 0.876 468 N CB 0.176 38.533 38.487 -0.217 0.000 1.143 468 N HN 0.801 nan 8.380 nan 0.000 0.468 469 K N -1.774 118.543 120.400 -0.138 0.000 3.584 469 K HA -0.209 4.111 4.320 -0.000 0.000 0.300 469 K C -0.074 176.631 176.600 0.176 0.000 1.285 469 K CA 1.642 58.040 56.287 0.185 0.000 1.008 469 K CB -1.993 30.567 32.500 0.099 0.000 1.271 469 K HN 0.204 nan 8.250 nan 0.000 0.447 470 c N 0.997 119.625 118.600 0.047 0.000 3.512 470 c HA 0.597 5.167 4.570 -0.000 0.000 0.276 470 c C 0.592 174.693 174.090 0.019 0.000 1.592 470 c CA -0.043 56.311 56.329 0.042 0.000 1.803 470 c CB 0.349 42.864 42.510 0.009 0.000 2.996 470 c HN 0.579 nan 8.230 nan 0.000 0.590 471 A N 0.941 123.742 122.820 -0.033 0.000 2.316 471 A HA 0.677 4.997 4.320 -0.000 0.000 0.311 471 A C 0.415 178.083 177.584 0.140 0.000 1.339 471 A CA 0.357 52.370 52.037 -0.041 0.000 0.960 471 A CB -0.102 18.738 19.000 -0.267 0.000 1.152 471 A HN 0.591 nan 8.150 nan 0.000 0.547 472 G N 0.806 109.649 108.800 0.071 0.000 2.694 472 G HA2 0.537 4.497 3.960 -0.000 0.000 0.290 472 G HA3 0.537 4.497 3.960 -0.000 0.000 0.290 472 G C -1.176 173.733 174.900 0.015 0.000 1.386 472 G CA -0.756 44.380 45.100 0.060 0.000 0.872 472 G HN 0.987 nan 8.290 nan 0.000 0.475 473 L N 1.168 122.387 121.223 -0.006 0.000 2.315 473 L HA 0.414 4.754 4.340 -0.000 0.000 0.283 473 L C -0.049 176.779 176.870 -0.070 0.000 1.089 473 L CA -0.910 53.910 54.840 -0.032 0.000 0.833 473 L CB 0.505 42.540 42.059 -0.039 0.000 1.170 473 L HN 0.414 nan 8.230 nan 0.000 0.442 474 N N 3.804 122.464 118.700 -0.067 0.000 2.408 474 N HA 0.065 4.805 4.740 -0.000 0.000 0.257 474 N C 0.974 176.379 175.510 -0.175 0.000 1.064 474 N CA 0.101 53.080 53.050 -0.119 0.000 0.952 474 N CB 1.509 39.975 38.487 -0.035 0.000 1.093 474 N HN 0.662 nan 8.380 nan 0.000 0.490 475 V N 2.085 121.782 119.914 -0.361 0.000 3.305 475 V HA 0.017 4.137 4.120 -0.000 0.000 0.269 475 V C 1.058 176.993 176.094 -0.265 0.000 1.157 475 V CA 1.008 63.106 62.300 -0.336 0.000 1.157 475 V CB -0.979 30.604 31.823 -0.401 0.000 0.772 475 V HN 0.342 nan 8.190 nan 0.000 0.498 476 F N 1.306 121.257 119.950 0.002 0.000 2.208 476 F HA 0.166 4.693 4.527 -0.000 0.000 0.282 476 F C 2.663 178.464 175.800 0.002 0.000 1.071 476 F CA 1.100 59.101 58.000 0.001 0.000 1.228 476 F CB -1.718 37.282 39.000 0.001 0.000 1.088 476 F HN 0.013 nan 8.300 nan 0.000 0.512 477 T N -0.178 114.488 114.554 0.186 0.000 2.564 477 T HA -0.124 4.226 4.350 -0.000 0.000 0.264 477 T C 2.043 176.778 174.700 0.058 0.000 1.100 477 T CA 2.593 64.750 62.100 0.094 0.000 1.171 477 T CB -1.220 67.683 68.868 0.058 0.000 0.863 477 T HN 0.626 nan 8.240 nan 0.000 0.430 478 G N 0.908 109.724 108.800 0.026 0.000 2.259 478 G HA2 0.066 4.026 3.960 -0.000 0.000 0.217 478 G HA3 0.066 4.026 3.960 -0.000 0.000 0.217 478 G C 0.111 175.013 174.900 0.002 0.000 1.001 478 G CA 0.106 45.212 45.100 0.011 0.000 0.627 478 G HN 1.080 nan 8.290 nan 0.000 0.501 479 A N -0.389 122.435 122.820 0.007 0.000 2.350 479 A HA 0.881 5.201 4.320 -0.000 0.000 0.318 479 A C 0.270 177.855 177.584 0.000 0.000 1.132 479 A CA 0.200 52.240 52.037 0.004 0.000 0.811 479 A CB 1.856 20.861 19.000 0.009 0.000 1.313 479 A HN 1.693 nan 8.150 nan 0.000 0.454 480 V N 1.054 120.969 119.914 0.001 0.000 2.508 480 V HA 0.371 4.491 4.120 -0.000 0.000 0.281 480 V C -0.040 176.054 176.094 0.001 0.000 1.041 480 V CA 0.550 62.852 62.300 0.002 0.000 1.016 480 V CB 0.013 31.842 31.823 0.010 0.000 0.984 480 V HN 0.933 nan 8.190 nan 0.000 0.478 481 E N 3.972 124.173 120.200 0.001 0.000 2.428 481 E HA 0.379 4.729 4.350 -0.000 0.000 0.259 481 E C -1.296 175.303 176.600 -0.003 0.000 0.930 481 E CA -0.923 55.477 56.400 0.001 0.000 0.823 481 E CB 1.374 31.080 29.700 0.010 0.000 1.403 481 E HN 0.721 nan 8.360 nan 0.000 0.415 482 D N 1.458 121.857 120.400 -0.002 0.000 2.428 482 D HA 0.104 4.744 4.640 -0.000 0.000 0.221 482 D C 0.757 177.059 176.300 0.005 0.000 1.123 482 D CA -0.140 53.856 54.000 -0.006 0.000 0.869 482 D CB 0.767 41.560 40.800 -0.011 0.000 1.032 482 D HN 0.333 nan 8.370 nan 0.000 0.506 483 M N 1.927 121.533 119.600 0.009 0.000 2.213 483 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 483 M C 2.231 178.540 176.300 0.015 0.000 1.062 483 M CA 0.664 55.972 55.300 0.014 0.000 1.105 483 M CB -0.845 31.765 32.600 0.016 0.000 1.385 483 M HN 0.506 nan 8.290 nan 0.000 0.417 484 c N 0.501 119.108 118.600 0.012 0.000 2.422 484 c HA -0.135 4.435 4.570 -0.000 0.000 0.279 484 c C 2.528 176.625 174.090 0.011 0.000 1.305 484 c CA 0.892 57.228 56.329 0.011 0.000 1.757 484 c CB -0.926 41.590 42.510 0.009 0.000 1.962 484 c HN 0.564 nan 8.230 nan 0.000 0.499 485 E N 0.357 120.563 120.200 0.010 0.000 2.250 485 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 485 E C 1.252 177.861 176.600 0.016 0.000 0.986 485 E CA 0.457 56.863 56.400 0.010 0.000 0.849 485 E CB -0.072 29.632 29.700 0.007 0.000 0.797 485 E HN 0.569 nan 8.360 nan 0.000 0.482 486 N N 0.153 118.866 118.700 0.021 0.000 2.521 486 N HA 0.017 4.757 4.740 -0.000 0.000 0.188 486 N C 0.559 176.089 175.510 0.035 0.000 1.146 486 N CA 0.882 53.951 53.050 0.032 0.000 0.893 486 N CB 0.715 39.225 38.487 0.040 0.000 0.975 486 N HN 0.218 nan 8.380 nan 0.000 0.451 487 G N -0.303 108.512 108.800 0.026 0.000 2.198 487 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 487 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 487 G C -0.385 174.532 174.900 0.028 0.000 1.042 487 G CA 0.062 45.178 45.100 0.025 0.000 0.791 487 G HN 0.190 nan 8.290 nan 0.000 0.502 488 V N 1.085 121.014 119.914 0.025 0.000 2.259 488 V HA 0.577 4.697 4.120 -0.000 0.000 0.267 488 V C 0.612 176.715 176.094 0.014 0.000 1.051 488 V CA -0.090 62.223 62.300 0.021 0.000 0.830 488 V CB 1.027 32.859 31.823 0.015 0.000 1.080 488 V HN 1.018 nan 8.190 nan 0.000 0.467 489 V N 1.784 121.707 119.914 0.014 0.000 2.962 489 V HA 0.821 4.941 4.120 -0.000 0.000 0.313 489 V C -0.797 175.301 176.094 0.007 0.000 1.099 489 V CA -0.849 61.457 62.300 0.010 0.000 0.971 489 V CB 2.481 34.311 31.823 0.010 0.000 1.028 489 V HN 0.692 nan 8.190 nan 0.000 0.430 490 E N 2.722 122.925 120.200 0.005 0.000 2.290 490 E HA 0.528 4.878 4.350 -0.000 0.000 0.274 490 E C -2.963 173.638 176.600 0.001 0.000 0.889 490 E CA -1.957 54.444 56.400 0.002 0.000 0.760 490 E CB 2.894 32.594 29.700 -0.001 0.000 1.206 490 E HN 0.588 nan 8.360 nan 0.000 0.419 491 P HA -0.127 nan 4.420 nan 0.000 0.269 491 P C 0.330 177.630 177.300 -0.001 0.000 1.205 491 P CA -0.091 63.009 63.100 -0.000 0.000 0.780 491 P CB 0.587 32.286 31.700 -0.001 0.000 0.858 492 L N 2.545 123.767 121.223 -0.002 0.000 2.156 492 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 492 L C 2.275 179.142 176.870 -0.004 0.000 1.095 492 L CA 1.572 56.411 54.840 -0.003 0.000 0.770 492 L CB -0.728 41.329 42.059 -0.003 0.000 0.914 492 L HN 0.238 nan 8.230 nan 0.000 0.439 493 R N -1.096 119.402 120.500 -0.004 0.000 2.159 493 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 493 R C 2.001 178.298 176.300 -0.005 0.000 1.131 493 R CA 1.471 57.569 56.100 -0.004 0.000 0.982 493 R CB -0.187 30.111 30.300 -0.003 0.000 0.868 493 R HN 0.354 nan 8.270 nan 0.000 0.453 494 V N 0.981 120.891 119.914 -0.005 0.000 2.358 494 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 494 V C 2.057 178.145 176.094 -0.009 0.000 1.047 494 V CA 1.685 63.981 62.300 -0.007 0.000 1.035 494 V CB -0.210 31.609 31.823 -0.007 0.000 0.658 494 V HN 0.284 nan 8.190 nan 0.000 0.452 495 K N 0.074 120.469 120.400 -0.008 0.000 2.284 495 K HA 0.011 4.331 4.320 -0.000 0.000 0.198 495 K C 2.219 178.817 176.600 -0.005 0.000 1.048 495 K CA 1.389 57.670 56.287 -0.009 0.000 0.987 495 K CB -0.369 32.125 32.500 -0.010 0.000 0.800 495 K HN 0.693 nan 8.250 nan 0.000 0.486 496 T N -0.348 114.203 114.554 -0.004 0.000 2.698 496 T HA -0.176 4.174 4.350 -0.000 0.000 0.260 496 T C 2.170 176.870 174.700 -0.000 0.000 1.044 496 T CA 1.052 63.150 62.100 -0.003 0.000 1.149 496 T CB -0.264 68.600 68.868 -0.006 0.000 0.864 496 T HN -0.005 nan 8.240 nan 0.000 0.419 497 Q N 2.095 121.893 119.800 -0.002 0.000 2.077 497 Q HA -0.012 4.328 4.340 -0.000 0.000 0.206 497 Q C 2.442 178.441 176.000 -0.002 0.000 0.989 497 Q CA 2.356 58.158 55.803 -0.002 0.000 0.853 497 Q CB -1.094 27.642 28.738 -0.003 0.000 0.907 497 Q HN 0.680 nan 8.270 nan 0.000 0.418 498 A N 0.035 122.851 122.820 -0.006 0.000 1.877 498 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 498 A C 2.183 179.760 177.584 -0.013 0.000 1.186 498 A CA 1.615 53.644 52.037 -0.013 0.000 0.620 498 A CB -0.795 18.192 19.000 -0.020 0.000 0.822 498 A HN 0.502 nan 8.150 nan 0.000 0.443 499 I N -0.918 119.652 120.570 -0.001 0.000 2.361 499 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 499 I C 2.771 178.922 176.117 0.056 0.000 1.133 499 I CA 1.600 62.915 61.300 0.025 0.000 1.413 499 I CB -0.146 37.891 38.000 0.061 0.000 1.073 499 I HN 0.515 nan 8.210 nan 0.000 0.424 500 Q N 0.245 120.066 119.800 0.036 0.000 2.123 500 Q HA -0.126 4.214 4.340 -0.000 0.000 0.196 500 Q C 2.311 178.330 176.000 0.031 0.000 0.958 500 Q CA 1.534 57.361 55.803 0.040 0.000 0.841 500 Q CB 0.184 28.935 28.738 0.021 0.000 0.915 500 Q HN 0.532 nan 8.270 nan 0.000 0.455 501 S N 0.056 115.765 115.700 0.016 0.000 2.447 501 S HA -0.037 4.433 4.470 -0.000 0.000 0.233 501 S C 1.926 176.530 174.600 0.006 0.000 1.006 501 S CA 0.752 58.959 58.200 0.011 0.000 0.957 501 S CB -0.116 63.087 63.200 0.004 0.000 0.773 501 S HN 0.421 nan 8.310 nan 0.000 0.507 502 A N 1.692 124.509 122.820 -0.006 0.000 1.970 502 A HA 0.491 4.811 4.320 -0.000 0.000 0.216 502 A C 2.397 179.969 177.584 -0.019 0.000 1.170 502 A CA 1.171 53.188 52.037 -0.033 0.000 0.645 502 A CB -1.090 17.863 19.000 -0.078 0.000 0.816 502 A HN 0.654 nan 8.150 nan 0.000 0.447 503 A N 0.023 122.862 122.820 0.032 0.000 1.854 503 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 503 A C 1.921 179.566 177.584 0.102 0.000 1.192 503 A CA 1.389 53.488 52.037 0.103 0.000 0.611 503 A CB -0.523 18.597 19.000 0.200 0.000 0.832 503 A HN 0.548 nan 8.150 nan 0.000 0.442 504 E N 0.352 120.595 120.200 0.072 0.000 2.058 504 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 504 E C 2.454 179.090 176.600 0.061 0.000 0.997 504 E CA 1.761 58.200 56.400 0.064 0.000 0.801 504 E CB -0.253 29.473 29.700 0.042 0.000 0.746 504 E HN 0.769 nan 8.360 nan 0.000 0.450 505 S N 0.766 116.494 115.700 0.046 0.000 2.357 505 S HA -0.151 4.319 4.470 -0.000 0.000 0.221 505 S C 2.349 176.982 174.600 0.054 0.000 1.031 505 S CA 1.764 59.988 58.200 0.040 0.000 0.982 505 S CB -0.773 62.441 63.200 0.023 0.000 0.853 505 S HN 0.371 nan 8.310 nan 0.000 0.458 506 T N -0.129 114.463 114.554 0.062 0.000 2.915 506 T HA -0.003 4.347 4.350 -0.000 0.000 0.269 506 T C 1.603 176.386 174.700 0.137 0.000 1.071 506 T CA 1.295 63.449 62.100 0.089 0.000 1.132 506 T CB -0.633 68.291 68.868 0.094 0.000 0.878 506 T HN 0.587 nan 8.240 nan 0.000 0.479 507 E N 1.190 121.484 120.200 0.158 0.000 2.031 507 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 507 E C 2.286 178.943 176.600 0.095 0.000 0.994 507 E CA 1.771 58.265 56.400 0.158 0.000 0.800 507 E CB -0.348 29.443 29.700 0.153 0.000 0.752 507 E HN 0.776 nan 8.360 nan 0.000 0.447 508 M N 0.324 119.969 119.600 0.075 0.000 2.213 508 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 508 M C 1.933 178.264 176.300 0.051 0.000 1.062 508 M CA 1.561 56.895 55.300 0.056 0.000 1.105 508 M CB -0.157 32.471 32.600 0.046 0.000 1.385 508 M HN 0.056 nan 8.290 nan 0.000 0.417 509 L N 0.645 121.900 121.223 0.054 0.000 2.093 509 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 509 L C 2.454 179.348 176.870 0.042 0.000 1.085 509 L CA 1.153 56.020 54.840 0.046 0.000 0.755 509 L CB -0.522 41.562 42.059 0.041 0.000 0.904 509 L HN 0.453 nan 8.230 nan 0.000 0.435 510 L N -0.862 120.387 121.223 0.044 0.000 2.275 510 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 510 L C 2.464 179.346 176.870 0.019 0.000 1.119 510 L CA 0.775 55.629 54.840 0.024 0.000 0.790 510 L CB -0.408 41.660 42.059 0.014 0.000 0.919 510 L HN 0.187 nan 8.230 nan 0.000 0.443 511 R N -0.138 120.382 120.500 0.033 0.000 2.280 511 R HA 0.092 4.432 4.340 -0.000 0.000 0.207 511 R C 0.406 176.724 176.300 0.030 0.000 1.043 511 R CA 0.305 56.426 56.100 0.036 0.000 1.006 511 R CB -0.022 30.305 30.300 0.043 0.000 0.885 511 R HN 0.268 nan 8.270 nan 0.000 0.467 512 I N 1.862 122.450 120.570 0.029 0.000 2.371 512 I HA -0.032 4.138 4.170 -0.000 0.000 0.290 512 I C 0.547 176.679 176.117 0.025 0.000 1.028 512 I CA -0.004 61.315 61.300 0.031 0.000 1.345 512 I CB 1.295 39.320 38.000 0.042 0.000 1.407 512 I HN 0.103 nan 8.210 nan 0.000 0.501 513 D N 3.018 123.432 120.400 0.023 0.000 2.502 513 D HA 0.096 4.736 4.640 -0.000 0.000 0.232 513 D C -0.017 176.302 176.300 0.032 0.000 1.137 513 D CA 0.029 54.040 54.000 0.018 0.000 0.827 513 D CB 0.459 41.258 40.800 -0.001 0.000 1.141 513 D HN 0.261 nan 8.370 nan 0.000 0.517 514 D N 0.364 120.783 120.400 0.032 0.000 2.780 514 D HA 0.442 5.082 4.640 -0.000 0.000 0.242 514 D C -1.086 175.229 176.300 0.024 0.000 1.135 514 D CA -0.582 53.436 54.000 0.029 0.000 0.859 514 D CB 2.802 43.610 40.800 0.013 0.000 1.530 514 D HN -0.177 nan 8.370 nan 0.000 0.493 515 V N 3.237 123.158 119.914 0.012 0.000 2.769 515 V HA 0.582 4.702 4.120 -0.000 0.000 0.312 515 V C 0.150 176.176 176.094 -0.114 0.000 1.061 515 V CA -0.777 61.507 62.300 -0.027 0.000 0.931 515 V CB 2.149 33.978 31.823 0.010 0.000 1.010 515 V HN 0.485 nan 8.190 nan 0.000 0.433 516 I N 2.833 123.336 120.570 -0.111 0.000 2.698 516 I HA 0.550 4.720 4.170 -0.000 0.000 0.276 516 I C 0.237 176.270 176.117 -0.139 0.000 1.166 516 I CA -0.259 60.962 61.300 -0.132 0.000 1.101 516 I CB 1.276 39.228 38.000 -0.079 0.000 1.305 516 I HN 0.704 nan 8.210 nan 0.000 0.526 517 A N 4.037 126.732 122.820 -0.208 0.000 2.301 517 A HA 0.887 5.207 4.320 -0.000 0.000 0.298 517 A C 0.155 177.661 177.584 -0.130 0.000 1.185 517 A CA -0.154 51.782 52.037 -0.168 0.000 0.830 517 A CB 0.769 19.642 19.000 -0.211 0.000 1.112 517 A HN 0.663 nan 8.150 nan 0.000 0.508 518 A N 1.575 124.343 122.820 -0.086 0.000 2.312 518 A HA 0.844 5.164 4.320 -0.000 0.000 0.310 518 A C 0.342 177.897 177.584 -0.049 0.000 1.139 518 A CA -0.060 51.939 52.037 -0.064 0.000 0.886 518 A CB 0.447 19.418 19.000 -0.049 0.000 1.350 518 A HN 1.224 nan 8.150 nan 0.000 0.479 519 E N 0.000 120.178 120.200 -0.037 0.000 2.725 519 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 519 E CA 0.000 56.384 56.400 -0.026 0.000 0.976 519 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440