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 3gqt_1_C DATA FIRST_RESID 4 DATA SEQUENCE ATFHWDDPLL LDQQLADDER MVRDAAHAYA QGKLAPRVTE AFRHETTDAA DATA SEQUENCE IFREMGEIGL LGPTIPEQYG GPGLDYVSYG LIAREVERVD SGYRSMMSVQ DATA SEQUENCE SSLVMVPIFE FGSDAQKEKY LPKLATGEWI GCFGLTEPNH GSDPGSMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDEDGRDEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRKQFG RPLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGXXX DATA SEQUENCE XXXEFGVARH LVNLEVVNTY EGTHDIHALI LGRAQTGIQA F VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.656 177.584 0.120 0.000 1.274 4 A CA 0.000 52.091 52.037 0.091 0.000 0.836 4 A CB 0.000 19.055 19.000 0.091 0.000 0.831 5 T N -0.636 114.011 114.554 0.154 0.000 2.902 5 T HA 0.677 5.032 4.350 0.009 0.000 0.283 5 T C -0.179 174.704 174.700 0.305 0.000 1.009 5 T CA -0.513 61.689 62.100 0.170 0.000 1.051 5 T CB 1.077 69.990 68.868 0.074 0.000 0.999 5 T HN 0.969 nan 8.240 nan 0.000 0.474 6 F N 2.144 122.158 119.950 0.107 0.000 2.427 6 F HA 0.367 4.899 4.527 0.009 0.000 0.352 6 F C -0.060 175.828 175.800 0.147 0.000 1.100 6 F CA -0.735 57.363 58.000 0.164 0.000 1.191 6 F CB 0.558 39.637 39.000 0.132 0.000 1.128 6 F HN 0.678 nan 8.300 nan 0.000 0.533 7 H N 7.150 125.921 119.070 -0.498 0.000 2.661 7 H HA 0.067 4.629 4.556 0.009 0.000 0.290 7 H C 0.559 175.287 175.328 -1.001 0.000 1.082 7 H CA -1.027 54.663 56.048 -0.596 0.000 1.234 7 H CB 0.174 29.701 29.762 -0.390 0.000 1.387 7 H HN 0.751 nan 8.280 nan 0.000 0.476 8 W N 3.880 124.725 121.300 -0.760 0.000 2.350 8 W HA -0.144 4.521 4.660 0.008 0.000 0.289 8 W C 0.169 176.647 176.519 -0.068 0.000 1.215 8 W CA 1.287 58.332 57.345 -0.500 0.000 1.236 8 W CB -0.144 29.264 29.460 -0.086 0.000 1.130 8 W HN 0.539 nan 8.180 nan 0.000 0.541 9 D N -0.196 119.512 120.400 -1.154 0.000 2.347 9 D HA -0.089 4.556 4.640 0.009 0.000 0.213 9 D C -0.158 175.962 176.300 -0.300 0.000 0.985 9 D CA 0.510 53.867 54.000 -1.073 0.000 0.879 9 D CB -0.427 39.385 40.800 -1.647 0.000 0.919 9 D HN 0.088 nan 8.370 nan 0.000 0.526 10 D N -0.158 120.096 120.400 -0.244 0.000 2.978 10 D HA 0.188 4.833 4.640 0.009 0.000 0.268 10 D C -2.122 174.111 176.300 -0.112 0.000 1.252 10 D CA -1.655 52.275 54.000 -0.117 0.000 0.771 10 D CB 1.342 42.046 40.800 -0.161 0.000 1.361 10 D HN -0.220 nan 8.370 nan 0.000 0.558 11 P HA -0.050 nan 4.420 nan 0.000 0.216 11 P C 1.300 178.649 177.300 0.082 0.000 1.150 11 P CA 0.890 64.025 63.100 0.059 0.000 0.837 11 P CB 0.324 32.178 31.700 0.257 0.000 0.786 12 L N -1.499 119.744 121.223 0.033 0.000 2.611 12 L HA 0.151 4.497 4.340 0.009 0.000 0.229 12 L C 0.318 177.166 176.870 -0.036 0.000 1.137 12 L CA -0.195 54.653 54.840 0.014 0.000 0.901 12 L CB -0.684 41.383 42.059 0.014 0.000 1.098 12 L HN -0.097 nan 8.230 nan 0.000 0.456 13 L N 0.178 121.341 121.223 -0.099 0.000 3.795 13 L HA -0.262 4.083 4.340 0.009 0.000 0.489 13 L C 1.493 178.314 176.870 -0.083 0.000 1.259 13 L CA -0.208 54.536 54.840 -0.159 0.000 0.765 13 L CB -1.046 40.890 42.059 -0.205 0.000 1.519 13 L HN 0.298 nan 8.230 nan 0.000 0.842 14 L N 0.353 121.546 121.223 -0.049 0.000 2.129 14 L HA -0.213 4.132 4.340 0.009 0.000 0.212 14 L C 1.927 178.795 176.870 -0.004 0.000 1.087 14 L CA 2.595 57.433 54.840 -0.003 0.000 0.757 14 L CB -0.199 41.877 42.059 0.028 0.000 0.896 14 L HN 0.537 nan 8.230 nan 0.000 0.434 15 D N -0.983 119.392 120.400 -0.043 0.000 2.123 15 D HA -0.246 4.400 4.640 0.009 0.000 0.196 15 D C 2.064 178.341 176.300 -0.038 0.000 0.992 15 D CA 1.506 55.480 54.000 -0.044 0.000 0.833 15 D CB -0.044 40.708 40.800 -0.080 0.000 0.954 15 D HN 0.559 nan 8.370 nan 0.000 0.455 16 Q N -0.766 119.001 119.800 -0.055 0.000 2.435 16 Q HA -0.047 4.298 4.340 0.009 0.000 0.207 16 Q C 1.772 177.764 176.000 -0.015 0.000 0.956 16 Q CA 0.524 56.303 55.803 -0.040 0.000 0.917 16 Q CB 0.110 28.814 28.738 -0.057 0.000 0.997 16 Q HN 0.530 nan 8.270 nan 0.000 0.497 17 Q N -0.076 119.723 119.800 -0.002 0.000 2.424 17 Q HA 0.126 4.471 4.340 0.009 0.000 0.204 17 Q C 0.106 176.127 176.000 0.035 0.000 0.933 17 Q CA 0.135 55.950 55.803 0.020 0.000 0.929 17 Q CB 0.442 29.199 28.738 0.031 0.000 1.037 17 Q HN 0.289 nan 8.270 nan 0.000 0.511 18 L N 0.879 122.120 121.223 0.030 0.000 2.334 18 L HA 0.434 4.779 4.340 0.009 0.000 0.277 18 L C 0.096 176.975 176.870 0.015 0.000 1.075 18 L CA -0.983 53.877 54.840 0.032 0.000 0.804 18 L CB 0.886 42.962 42.059 0.028 0.000 1.174 18 L HN -0.009 nan 8.230 nan 0.000 0.438 19 A N 1.328 124.156 122.820 0.014 0.000 2.407 19 A HA 0.033 4.359 4.320 0.009 0.000 0.248 19 A C 0.875 178.458 177.584 -0.003 0.000 1.082 19 A CA -0.209 51.831 52.037 0.005 0.000 0.785 19 A CB 0.221 19.225 19.000 0.006 0.000 1.020 19 A HN 0.942 nan 8.150 nan 0.000 0.489 20 D N 0.849 121.245 120.400 -0.006 0.000 2.170 20 D HA -0.248 4.398 4.640 0.009 0.000 0.193 20 D C 1.434 177.727 176.300 -0.013 0.000 1.004 20 D CA 2.406 56.400 54.000 -0.010 0.000 0.860 20 D CB 0.104 40.899 40.800 -0.009 0.000 0.931 20 D HN 0.732 nan 8.370 nan 0.000 0.448 21 D N 0.197 120.589 120.400 -0.013 0.000 2.144 21 D HA -0.195 4.450 4.640 0.009 0.000 0.199 21 D C 1.693 177.980 176.300 -0.022 0.000 0.984 21 D CA 1.105 55.095 54.000 -0.018 0.000 0.834 21 D CB -0.827 39.962 40.800 -0.019 0.000 0.955 21 D HN 0.433 nan 8.370 nan 0.000 0.465 22 E N 0.210 120.398 120.200 -0.020 0.000 2.077 22 E HA -0.078 4.277 4.350 0.009 0.000 0.193 22 E C 2.416 178.999 176.600 -0.028 0.000 0.989 22 E CA 0.617 57.001 56.400 -0.028 0.000 0.800 22 E CB 0.007 29.695 29.700 -0.019 0.000 0.746 22 E HN 0.260 nan 8.360 nan 0.000 0.452 23 R N 0.059 120.547 120.500 -0.020 0.000 2.096 23 R HA -0.066 4.279 4.340 0.009 0.000 0.235 23 R C 2.347 178.635 176.300 -0.020 0.000 1.127 23 R CA 1.254 57.342 56.100 -0.021 0.000 0.968 23 R CB -0.149 30.139 30.300 -0.021 0.000 0.861 23 R HN 0.234 nan 8.270 nan 0.000 0.440 24 M N -0.093 119.496 119.600 -0.017 0.000 2.132 24 M HA -0.141 4.344 4.480 0.009 0.000 0.263 24 M C 2.282 178.577 176.300 -0.008 0.000 1.065 24 M CA 1.303 56.596 55.300 -0.012 0.000 1.122 24 M CB -0.102 32.491 32.600 -0.013 0.000 1.365 24 M HN -0.016 nan 8.290 nan 0.000 0.411 25 V N 0.377 120.280 119.914 -0.018 0.000 2.287 25 V HA -0.311 3.815 4.120 0.009 0.000 0.248 25 V C 2.434 178.523 176.094 -0.008 0.000 1.053 25 V CA 2.032 64.320 62.300 -0.019 0.000 1.027 25 V CB -0.907 30.894 31.823 -0.037 0.000 0.646 25 V HN 0.494 nan 8.190 nan 0.000 0.447 26 R N 0.130 120.621 120.500 -0.016 0.000 2.083 26 R HA -0.211 4.135 4.340 0.009 0.000 0.237 26 R C 2.021 178.347 176.300 0.043 0.000 1.137 26 R CA 2.282 58.382 56.100 -0.000 0.000 0.951 26 R CB -0.461 29.828 30.300 -0.018 0.000 0.851 26 R HN 0.512 nan 8.270 nan 0.000 0.434 27 D N 0.210 120.625 120.400 0.025 0.000 2.178 27 D HA -0.096 4.550 4.640 0.009 0.000 0.202 27 D C 1.710 178.068 176.300 0.097 0.000 0.974 27 D CA 1.323 55.352 54.000 0.049 0.000 0.841 27 D CB -0.193 40.611 40.800 0.006 0.000 0.953 27 D HN 0.401 nan 8.370 nan 0.000 0.478 28 A N 1.179 124.037 122.820 0.064 0.000 1.873 28 A HA -0.020 4.305 4.320 0.009 0.000 0.215 28 A C 2.341 179.989 177.584 0.107 0.000 1.186 28 A CA 2.100 54.177 52.037 0.068 0.000 0.616 28 A CB -0.750 18.268 19.000 0.029 0.000 0.823 28 A HN 0.225 nan 8.150 nan 0.000 0.442 29 A N -0.850 122.030 122.820 0.100 0.000 1.908 29 A HA -0.212 4.114 4.320 0.009 0.000 0.218 29 A C 2.016 179.697 177.584 0.162 0.000 1.181 29 A CA 2.208 54.326 52.037 0.135 0.000 0.627 29 A CB -0.964 18.089 19.000 0.089 0.000 0.818 29 A HN 0.798 nan 8.150 nan 0.000 0.445 30 H N -0.154 118.948 119.070 0.054 0.000 2.319 30 H HA -0.014 4.548 4.556 0.009 0.000 0.299 30 H C 2.196 177.538 175.328 0.023 0.000 1.092 30 H CA 2.207 58.275 56.048 0.034 0.000 1.302 30 H CB -0.239 29.536 29.762 0.021 0.000 1.373 30 H HN 0.397 nan 8.280 nan 0.000 0.497 31 A N -0.192 122.697 122.820 0.115 0.000 1.902 31 A HA -0.216 4.109 4.320 0.009 0.000 0.217 31 A C 2.362 179.942 177.584 -0.007 0.000 1.181 31 A CA 1.638 53.702 52.037 0.044 0.000 0.623 31 A CB -1.403 17.651 19.000 0.089 0.000 0.818 31 A HN 0.744 nan 8.150 nan 0.000 0.443 32 Y N 0.409 120.682 120.300 -0.044 0.000 2.114 32 Y HA -0.109 4.446 4.550 0.009 0.000 0.284 32 Y C 2.661 178.503 175.900 -0.096 0.000 1.143 32 Y CA 1.786 59.847 58.100 -0.064 0.000 1.135 32 Y CB -0.423 38.004 38.460 -0.056 0.000 0.980 32 Y HN 0.309 nan 8.280 nan 0.000 0.499 33 A N 0.312 122.908 122.820 -0.375 0.000 1.877 33 A HA -0.202 4.123 4.320 0.009 0.000 0.216 33 A C 2.060 179.416 177.584 -0.379 0.000 1.186 33 A CA 1.760 53.530 52.037 -0.445 0.000 0.620 33 A CB -0.673 18.238 19.000 -0.149 0.000 0.822 33 A HN 0.588 nan 8.150 nan 0.000 0.443 34 Q N -0.493 119.102 119.800 -0.341 0.000 2.079 34 Q HA -0.098 4.248 4.340 0.009 0.000 0.200 34 Q C 2.209 178.078 176.000 -0.219 0.000 0.974 34 Q CA 1.618 57.249 55.803 -0.285 0.000 0.840 34 Q CB -1.001 27.508 28.738 -0.381 0.000 0.898 34 Q HN 0.642 nan 8.270 nan 0.000 0.430 35 G N 0.638 109.304 108.800 -0.222 0.000 2.402 35 G HA2 -0.214 3.751 3.960 0.009 0.000 0.216 35 G HA3 -0.214 3.751 3.960 0.009 0.000 0.216 35 G C 1.488 176.271 174.900 -0.194 0.000 1.162 35 G CA 0.809 45.812 45.100 -0.161 0.000 0.777 35 G HN 0.260 nan 8.290 nan 0.000 0.539 36 K N -0.749 119.440 120.400 -0.352 0.000 2.329 36 K HA 0.405 4.731 4.320 0.009 0.000 0.198 36 K C 2.328 178.711 176.600 -0.362 0.000 1.085 36 K CA -0.008 56.073 56.287 -0.344 0.000 0.961 36 K CB 0.011 32.274 32.500 -0.394 0.000 0.971 36 K HN 0.200 nan 8.250 nan 0.000 0.502 37 L N 0.020 120.946 121.223 -0.495 0.000 2.127 37 L HA 0.107 4.452 4.340 0.009 0.000 0.203 37 L C 2.347 179.162 176.870 -0.091 0.000 1.080 37 L CA 0.963 55.576 54.840 -0.378 0.000 0.768 37 L CB -0.499 41.253 42.059 -0.512 0.000 0.924 37 L HN 0.112 nan 8.230 nan 0.000 0.444 38 A N 0.875 123.634 122.820 -0.101 0.000 1.917 38 A HA -0.138 4.188 4.320 0.009 0.000 0.219 38 A C -0.055 177.522 177.584 -0.012 0.000 1.182 38 A CA 1.780 53.799 52.037 -0.031 0.000 0.633 38 A CB -1.802 17.161 19.000 -0.061 0.000 0.819 38 A HN 0.296 nan 8.150 nan 0.000 0.448 39 P HA -0.064 nan 4.420 nan 0.000 0.223 39 P C 1.367 178.681 177.300 0.022 0.000 1.151 39 P CA 0.951 64.045 63.100 -0.011 0.000 0.787 39 P CB -0.021 31.663 31.700 -0.027 0.000 0.788 40 R N -1.113 119.412 120.500 0.041 0.000 2.173 40 R HA 0.064 4.410 4.340 0.009 0.000 0.208 40 R C 2.120 178.515 176.300 0.160 0.000 1.035 40 R CA 0.264 56.422 56.100 0.097 0.000 1.004 40 R CB -0.906 29.453 30.300 0.099 0.000 0.917 40 R HN 0.054 nan 8.270 nan 0.000 0.462 41 V N 0.823 120.841 119.914 0.173 0.000 2.407 41 V HA -0.236 3.890 4.120 0.009 0.000 0.248 41 V C 1.697 177.840 176.094 0.082 0.000 1.055 41 V CA 2.230 64.623 62.300 0.155 0.000 1.049 41 V CB -0.162 31.720 31.823 0.099 0.000 0.662 41 V HN 0.339 nan 8.190 nan 0.000 0.455 42 T N 0.077 114.663 114.554 0.053 0.000 2.708 42 T HA -0.138 4.217 4.350 0.009 0.000 0.266 42 T C 2.070 176.831 174.700 0.101 0.000 1.037 42 T CA 2.088 64.213 62.100 0.042 0.000 1.146 42 T CB -0.529 68.349 68.868 0.016 0.000 0.865 42 T HN 0.803 nan 8.240 nan 0.000 0.435 43 E N 1.302 121.572 120.200 0.117 0.000 2.077 43 E HA 0.056 4.412 4.350 0.009 0.000 0.193 43 E C 2.388 179.096 176.600 0.179 0.000 0.989 43 E CA 1.515 58.016 56.400 0.167 0.000 0.800 43 E CB -1.186 28.609 29.700 0.159 0.000 0.746 43 E HN 0.599 nan 8.360 nan 0.000 0.452 44 A N -0.469 122.451 122.820 0.166 0.000 1.908 44 A HA 0.045 4.370 4.320 0.009 0.000 0.218 44 A C 2.230 179.887 177.584 0.121 0.000 1.181 44 A CA 1.736 53.869 52.037 0.160 0.000 0.627 44 A CB -0.577 18.538 19.000 0.190 0.000 0.818 44 A HN 0.621 nan 8.150 nan 0.000 0.445 45 F N 0.596 120.523 119.950 -0.037 0.000 2.149 45 F HA 0.010 4.537 4.527 0.000 0.000 0.294 45 F C 2.848 178.598 175.800 -0.084 0.000 1.095 45 F CA 2.165 60.119 58.000 -0.077 0.000 1.276 45 F CB -0.477 38.452 39.000 -0.118 0.000 1.023 45 F HN 0.264 nan 8.300 nan 0.000 0.480 46 R N -0.179 120.364 120.500 0.071 0.000 2.117 46 R HA -0.165 4.180 4.340 0.009 0.000 0.243 46 R C 1.593 177.610 176.300 -0.472 0.000 1.143 46 R CA 2.303 58.281 56.100 -0.203 0.000 0.968 46 R CB -1.989 28.140 30.300 -0.286 0.000 0.863 46 R HN 0.646 nan 8.270 nan 0.000 0.444 47 H N -1.483 117.586 119.070 -0.002 0.000 2.784 47 H HA 0.229 4.792 4.556 0.012 0.000 0.273 47 H C -0.392 174.932 175.328 -0.006 0.000 1.112 47 H CA 0.045 56.089 56.048 -0.006 0.000 1.162 47 H CB 0.495 30.267 29.762 0.017 0.000 1.586 47 H HN 0.711 nan 8.280 nan 0.000 0.548 48 E N 2.317 122.528 120.200 0.018 0.000 2.230 48 E HA -0.145 4.211 4.350 0.009 0.000 0.206 48 E C -0.363 176.308 176.600 0.118 0.000 1.309 48 E CA 0.453 56.868 56.400 0.025 0.000 0.697 48 E CB -0.644 29.083 29.700 0.045 0.000 1.146 48 E HN 0.530 nan 8.360 nan 0.000 0.363 49 T N -1.188 113.441 114.554 0.125 0.000 2.910 49 T HA 0.353 4.709 4.350 0.009 0.000 0.293 49 T C 0.406 175.197 174.700 0.150 0.000 1.015 49 T CA -0.420 61.766 62.100 0.142 0.000 1.094 49 T CB 1.686 70.639 68.868 0.142 0.000 0.968 49 T HN 0.087 nan 8.240 nan 0.000 0.521 50 T N 3.427 118.072 114.554 0.152 0.000 2.749 50 T HA 0.378 4.733 4.350 0.009 0.000 0.295 50 T C -0.601 174.193 174.700 0.155 0.000 0.936 50 T CA -0.294 61.899 62.100 0.155 0.000 1.060 50 T CB 0.388 69.342 68.868 0.143 0.000 0.904 50 T HN 0.759 nan 8.240 nan 0.000 0.500 51 D N 1.757 122.268 120.400 0.184 0.000 2.602 51 D HA 0.485 5.131 4.640 0.009 0.000 0.245 51 D C 0.234 176.665 176.300 0.220 0.000 1.325 51 D CA -0.702 53.406 54.000 0.181 0.000 0.952 51 D CB 1.268 42.179 40.800 0.185 0.000 1.317 51 D HN 0.444 nan 8.370 nan 0.000 0.577 52 A N 2.841 125.792 122.820 0.219 0.000 2.169 52 A HA 0.389 4.714 4.320 0.009 0.000 0.210 52 A C 1.959 179.730 177.584 0.312 0.000 1.168 52 A CA 0.981 53.211 52.037 0.322 0.000 0.813 52 A CB -0.025 19.114 19.000 0.233 0.000 0.861 52 A HN 0.571 nan 8.150 nan 0.000 0.481 53 A N 0.786 123.710 122.820 0.174 0.000 1.948 53 A HA -0.178 4.148 4.320 0.009 0.000 0.220 53 A C 1.847 179.479 177.584 0.080 0.000 1.177 53 A CA 1.794 53.901 52.037 0.118 0.000 0.636 53 A CB -0.691 18.356 19.000 0.079 0.000 0.815 53 A HN 0.487 nan 8.150 nan 0.000 0.449 54 I N -1.485 119.085 120.570 0.001 0.000 2.315 54 I HA -0.290 3.885 4.170 0.009 0.000 0.251 54 I C 2.125 178.106 176.117 -0.226 0.000 1.125 54 I CA 1.436 62.648 61.300 -0.147 0.000 1.392 54 I CB -0.576 37.226 38.000 -0.330 0.000 1.065 54 I HN 0.342 nan 8.210 nan 0.000 0.424 55 F N 0.274 120.241 119.950 0.029 0.000 2.098 55 F HA -0.084 4.448 4.527 0.008 0.000 0.294 55 F C 2.635 178.423 175.800 -0.020 0.000 1.107 55 F CA 1.224 59.232 58.000 0.014 0.000 1.234 55 F CB -0.571 38.455 39.000 0.043 0.000 1.002 55 F HN -0.154 nan 8.300 nan 0.000 0.472 56 R N 0.691 121.288 120.500 0.162 0.000 2.081 56 R HA -0.140 4.205 4.340 0.009 0.000 0.235 56 R C 2.031 178.317 176.300 -0.023 0.000 1.131 56 R CA 1.393 57.531 56.100 0.063 0.000 0.960 56 R CB -0.803 29.536 30.300 0.065 0.000 0.856 56 R HN 0.426 nan 8.270 nan 0.000 0.436 57 E N 0.188 120.358 120.200 -0.050 0.000 2.058 57 E HA -0.157 4.198 4.350 0.009 0.000 0.194 57 E C 2.086 178.455 176.600 -0.385 0.000 0.997 57 E CA 1.432 57.741 56.400 -0.151 0.000 0.801 57 E CB -0.043 29.634 29.700 -0.038 0.000 0.746 57 E HN 0.259 nan 8.360 nan 0.000 0.450 58 M N -0.374 118.980 119.600 -0.410 0.000 2.236 58 M HA -0.019 4.466 4.480 0.009 0.000 0.266 58 M C 2.437 178.599 176.300 -0.231 0.000 1.070 58 M CA 1.180 56.209 55.300 -0.451 0.000 1.137 58 M CB -0.200 32.191 32.600 -0.347 0.000 1.378 58 M HN 0.198 nan 8.290 nan 0.000 0.426 59 G N 1.402 110.130 108.800 -0.119 0.000 2.440 59 G HA2 -0.258 3.707 3.960 0.009 0.000 0.218 59 G HA3 -0.258 3.707 3.960 0.009 0.000 0.218 59 G C 1.233 176.085 174.900 -0.081 0.000 1.154 59 G CA 1.293 46.356 45.100 -0.062 0.000 0.767 59 G HN 0.700 nan 8.290 nan 0.000 0.552 60 E N 0.621 120.765 120.200 -0.093 0.000 2.274 60 E HA -0.029 4.327 4.350 0.009 0.000 0.194 60 E C 2.159 178.707 176.600 -0.088 0.000 0.996 60 E CA 0.887 57.240 56.400 -0.077 0.000 0.840 60 E CB -0.340 29.323 29.700 -0.061 0.000 0.772 60 E HN 0.656 nan 8.360 nan 0.000 0.491 61 I N -2.972 117.522 120.570 -0.127 0.000 3.941 61 I HA 0.479 4.654 4.170 0.009 0.000 0.335 61 I C 0.855 176.912 176.117 -0.101 0.000 1.402 61 I CA 0.049 61.283 61.300 -0.110 0.000 1.112 61 I CB 0.347 38.273 38.000 -0.125 0.000 1.043 61 I HN 0.101 nan 8.210 nan 0.000 0.395 62 G N 2.657 111.397 108.800 -0.100 0.000 2.289 62 G HA2 -0.226 3.740 3.960 0.009 0.000 0.280 62 G HA3 -0.226 3.740 3.960 0.009 0.000 0.280 62 G C 0.177 175.025 174.900 -0.086 0.000 1.089 62 G CA 0.375 45.425 45.100 -0.084 0.000 0.939 62 G HN 0.505 nan 8.290 nan 0.000 0.499 63 L N -1.174 119.989 121.223 -0.100 0.000 2.766 63 L HA 0.398 4.743 4.340 0.009 0.000 0.242 63 L C 1.189 178.026 176.870 -0.056 0.000 1.136 63 L CA -0.146 54.647 54.840 -0.078 0.000 0.933 63 L CB 0.194 42.194 42.059 -0.099 0.000 1.241 63 L HN 0.210 nan 8.230 nan 0.000 0.522 64 L N 0.634 121.822 121.223 -0.059 0.000 2.307 64 L HA 0.457 4.803 4.340 0.009 0.000 0.282 64 L C 0.991 177.819 176.870 -0.070 0.000 1.051 64 L CA -0.272 54.551 54.840 -0.030 0.000 0.804 64 L CB 1.274 43.344 42.059 0.017 0.000 1.197 64 L HN 0.242 nan 8.230 nan 0.000 0.431 65 G N 3.770 112.507 108.800 -0.105 0.000 2.371 65 G HA2 -0.188 3.777 3.960 0.009 0.000 0.299 65 G HA3 -0.188 3.777 3.960 0.009 0.000 0.299 65 G C -1.780 172.971 174.900 -0.249 0.000 1.014 65 G CA -0.393 44.593 45.100 -0.189 0.000 1.097 65 G HN 0.576 nan 8.290 nan 0.000 0.512 66 P HA -0.142 nan 4.420 nan 0.000 0.216 66 P C 2.133 179.263 177.300 -0.284 0.000 1.150 66 P CA 2.224 65.185 63.100 -0.232 0.000 0.843 66 P CB -0.073 31.528 31.700 -0.165 0.000 0.787 67 T N -4.333 109.979 114.554 -0.403 0.000 3.148 67 T HA 0.068 4.423 4.350 0.009 0.000 0.253 67 T C 0.885 175.337 174.700 -0.412 0.000 1.134 67 T CA -0.001 61.839 62.100 -0.434 0.000 1.051 67 T CB -0.650 67.853 68.868 -0.610 0.000 0.959 67 T HN -0.170 nan 8.240 nan 0.000 0.525 68 I N 3.406 123.739 120.570 -0.396 0.000 2.556 68 I HA 0.318 4.493 4.170 0.009 0.000 0.284 68 I C -2.261 173.643 176.117 -0.356 0.000 1.114 68 I CA -3.085 57.924 61.300 -0.485 0.000 1.418 68 I CB 0.377 38.169 38.000 -0.347 0.000 1.394 68 I HN 0.034 nan 8.210 nan 0.000 0.552 69 P HA 0.119 nan 4.420 nan 0.000 0.272 69 P C 0.589 177.819 177.300 -0.117 0.000 1.230 69 P CA -0.229 62.757 63.100 -0.191 0.000 0.788 69 P CB 0.712 32.344 31.700 -0.112 0.000 0.949 70 E N 0.548 120.683 120.200 -0.107 0.000 2.150 70 E HA -0.246 4.110 4.350 0.009 0.000 0.193 70 E C 1.800 178.330 176.600 -0.117 0.000 0.985 70 E CA 0.742 57.084 56.400 -0.097 0.000 0.814 70 E CB -0.144 29.504 29.700 -0.087 0.000 0.752 70 E HN 0.577 nan 8.360 nan 0.000 0.466 71 Q N 0.331 120.027 119.800 -0.174 0.000 2.156 71 Q HA -0.223 4.122 4.340 0.009 0.000 0.211 71 Q C 0.737 176.495 176.000 -0.403 0.000 0.995 71 Q CA 1.659 57.266 55.803 -0.326 0.000 0.877 71 Q CB -0.060 28.400 28.738 -0.463 0.000 0.920 71 Q HN 0.393 nan 8.270 nan 0.000 0.416 72 Y N -1.550 118.732 120.300 -0.031 0.000 2.571 72 Y HA 0.344 4.900 4.550 0.009 0.000 0.275 72 Y C 1.237 177.108 175.900 -0.048 0.000 1.179 72 Y CA 0.293 58.382 58.100 -0.018 0.000 1.242 72 Y CB 0.933 39.408 38.460 0.025 0.000 1.126 72 Y HN 0.310 nan 8.280 nan 0.000 0.524 73 G N -0.655 108.158 108.800 0.021 0.000 2.194 73 G HA2 -0.234 3.731 3.960 0.009 0.000 0.236 73 G HA3 -0.234 3.731 3.960 0.009 0.000 0.236 73 G C 0.814 175.691 174.900 -0.039 0.000 0.987 73 G CA -0.236 44.855 45.100 -0.014 0.000 0.635 73 G HN 0.737 nan 8.290 nan 0.000 0.520 74 G N 0.393 109.162 108.800 -0.052 0.000 2.606 74 G HA2 0.532 4.498 3.960 0.009 0.000 0.252 74 G HA3 0.532 4.498 3.960 0.009 0.000 0.252 74 G C -0.498 174.341 174.900 -0.102 0.000 1.206 74 G CA -0.103 44.938 45.100 -0.099 0.000 0.861 74 G HN 0.167 nan 8.290 nan 0.000 0.561 75 P HA 0.075 nan 4.420 nan 0.000 0.249 75 P C 1.006 178.241 177.300 -0.108 0.000 1.229 75 P CA 0.837 63.877 63.100 -0.099 0.000 0.788 75 P CB 0.369 32.014 31.700 -0.092 0.000 1.072 76 G N 0.408 109.125 108.800 -0.138 0.000 2.295 76 G HA2 -0.242 3.723 3.960 0.009 0.000 0.287 76 G HA3 -0.242 3.723 3.960 0.009 0.000 0.287 76 G C -0.103 174.718 174.900 -0.132 0.000 1.055 76 G CA -0.041 44.976 45.100 -0.139 0.000 0.922 76 G HN 0.289 nan 8.290 nan 0.000 0.503 77 L N -0.586 120.544 121.223 -0.154 0.000 2.440 77 L HA 0.698 5.044 4.340 0.009 0.000 0.262 77 L C 0.800 177.563 176.870 -0.177 0.000 1.072 77 L CA -0.846 53.913 54.840 -0.134 0.000 0.798 77 L CB 0.588 42.580 42.059 -0.112 0.000 1.307 77 L HN 0.380 nan 8.230 nan 0.000 0.475 78 D N -2.552 117.765 120.400 -0.138 0.000 2.569 78 D HA 0.138 4.783 4.640 0.009 0.000 0.266 78 D C 0.492 176.697 176.300 -0.159 0.000 1.164 78 D CA -0.351 53.548 54.000 -0.168 0.000 1.071 78 D CB 0.293 41.066 40.800 -0.046 0.000 1.183 78 D HN 0.312 nan 8.370 nan 0.000 0.613 79 Y N -0.666 119.649 120.300 0.025 0.000 2.242 79 Y HA -0.091 4.464 4.550 0.009 0.000 0.291 79 Y C 2.377 178.379 175.900 0.171 0.000 1.137 79 Y CA 0.808 58.956 58.100 0.081 0.000 1.181 79 Y CB -0.515 37.824 38.460 -0.203 0.000 0.989 79 Y HN 0.157 nan 8.280 nan 0.000 0.527 80 V N -1.144 118.904 119.914 0.223 0.000 2.295 80 V HA -0.307 3.818 4.120 0.009 0.000 0.246 80 V C 2.297 178.281 176.094 -0.184 0.000 1.049 80 V CA 2.185 64.531 62.300 0.077 0.000 1.024 80 V CB -0.921 30.971 31.823 0.116 0.000 0.648 80 V HN 0.332 nan 8.190 nan 0.000 0.447 81 S N -1.517 114.132 115.700 -0.086 0.000 2.368 81 S HA -0.239 4.236 4.470 0.009 0.000 0.225 81 S C 1.802 176.345 174.600 -0.096 0.000 1.030 81 S CA 1.873 60.004 58.200 -0.114 0.000 0.999 81 S CB -0.511 62.650 63.200 -0.064 0.000 0.844 81 S HN 0.723 nan 8.310 nan 0.000 0.459 82 Y N 1.935 122.142 120.300 -0.155 0.000 2.128 82 Y HA -0.224 4.332 4.550 0.009 0.000 0.284 82 Y C 2.474 178.234 175.900 -0.233 0.000 1.154 82 Y CA 1.165 59.203 58.100 -0.103 0.000 1.149 82 Y CB -0.676 37.809 38.460 0.042 0.000 0.976 82 Y HN 0.332 nan 8.280 nan 0.000 0.505 83 G N 0.430 108.831 108.800 -0.665 0.000 2.402 83 G HA2 -0.240 3.725 3.960 0.009 0.000 0.216 83 G HA3 -0.240 3.725 3.960 0.009 0.000 0.216 83 G C 1.572 175.769 174.900 -1.172 0.000 1.162 83 G CA 1.060 45.251 45.100 -1.516 0.000 0.777 83 G HN 0.435 nan 8.290 nan 0.000 0.539 84 L N 0.129 120.710 121.223 -1.069 0.000 2.042 84 L HA -0.094 4.252 4.340 0.009 0.000 0.210 84 L C 2.859 179.605 176.870 -0.207 0.000 1.076 84 L CA 0.840 55.373 54.840 -0.512 0.000 0.749 84 L CB -0.371 41.478 42.059 -0.350 0.000 0.893 84 L HN 0.215 nan 8.230 nan 0.000 0.432 85 I N -0.266 120.204 120.570 -0.167 0.000 2.179 85 I HA -0.301 3.875 4.170 0.009 0.000 0.242 85 I C 2.825 178.933 176.117 -0.016 0.000 1.088 85 I CA 1.239 62.517 61.300 -0.037 0.000 1.357 85 I CB -0.524 37.493 38.000 0.027 0.000 1.051 85 I HN 0.211 nan 8.210 nan 0.000 0.409 86 A N 0.798 123.563 122.820 -0.091 0.000 1.908 86 A HA -0.269 4.057 4.320 0.009 0.000 0.218 86 A C 2.446 180.041 177.584 0.019 0.000 1.181 86 A CA 1.999 54.004 52.037 -0.052 0.000 0.627 86 A CB -0.708 18.172 19.000 -0.199 0.000 0.818 86 A HN 0.391 nan 8.150 nan 0.000 0.445 87 R N -0.640 119.880 120.500 0.033 0.000 2.081 87 R HA -0.141 4.204 4.340 0.009 0.000 0.235 87 R C 1.800 178.158 176.300 0.095 0.000 1.131 87 R CA 1.586 57.753 56.100 0.111 0.000 0.960 87 R CB -0.172 30.264 30.300 0.226 0.000 0.856 87 R HN 0.418 nan 8.270 nan 0.000 0.436 88 E N 0.129 120.381 120.200 0.086 0.000 2.106 88 E HA -0.109 4.246 4.350 0.009 0.000 0.192 88 E C 2.054 178.712 176.600 0.096 0.000 0.984 88 E CA 1.050 57.516 56.400 0.110 0.000 0.806 88 E CB -0.132 29.642 29.700 0.123 0.000 0.750 88 E HN 0.215 nan 8.360 nan 0.000 0.458 89 V N 0.975 120.950 119.914 0.101 0.000 2.379 89 V HA -0.200 3.926 4.120 0.009 0.000 0.245 89 V C 2.381 178.564 176.094 0.148 0.000 1.044 89 V CA 1.854 64.228 62.300 0.124 0.000 1.036 89 V CB -0.380 31.527 31.823 0.139 0.000 0.664 89 V HN 0.227 nan 8.190 nan 0.000 0.453 90 E N 0.216 120.492 120.200 0.128 0.000 2.204 90 E HA -0.218 4.137 4.350 0.009 0.000 0.194 90 E C 2.376 179.063 176.600 0.145 0.000 0.989 90 E CA 0.693 57.173 56.400 0.134 0.000 0.824 90 E CB -0.118 29.639 29.700 0.095 0.000 0.756 90 E HN 0.426 nan 8.360 nan 0.000 0.477 91 R N -0.034 120.530 120.500 0.106 0.000 2.133 91 R HA -0.186 4.160 4.340 0.009 0.000 0.247 91 R C 1.852 178.266 176.300 0.190 0.000 1.151 91 R CA 1.683 57.838 56.100 0.092 0.000 0.971 91 R CB -0.090 30.263 30.300 0.089 0.000 0.866 91 R HN 0.133 nan 8.270 nan 0.000 0.447 92 V N -0.538 119.479 119.914 0.172 0.000 2.300 92 V HA -0.029 4.096 4.120 0.009 0.000 0.241 92 V C 0.422 176.610 176.094 0.157 0.000 1.034 92 V CA 1.700 64.098 62.300 0.162 0.000 1.021 92 V CB -0.241 31.660 31.823 0.130 0.000 0.662 92 V HN 0.421 nan 8.190 nan 0.000 0.458 93 D N -3.038 117.471 120.400 0.181 0.000 2.836 93 D HA 0.275 4.920 4.640 0.009 0.000 0.215 93 D C 0.478 176.829 176.300 0.085 0.000 1.255 93 D CA -0.022 53.996 54.000 0.032 0.000 0.822 93 D CB 1.856 42.516 40.800 -0.233 0.000 1.656 93 D HN -0.108 nan 8.370 nan 0.000 0.511 94 S N 1.182 116.927 115.700 0.075 0.000 2.399 94 S HA -0.020 4.455 4.470 0.009 0.000 0.231 94 S C 1.915 176.577 174.600 0.104 0.000 1.022 94 S CA 1.134 59.394 58.200 0.101 0.000 0.983 94 S CB -0.123 63.125 63.200 0.081 0.000 0.803 94 S HN 0.633 nan 8.310 nan 0.000 0.480 95 G N 0.142 108.955 108.800 0.022 0.000 2.421 95 G HA2 -0.183 3.782 3.960 0.009 0.000 0.216 95 G HA3 -0.183 3.782 3.960 0.009 0.000 0.216 95 G C 1.119 176.076 174.900 0.095 0.000 1.171 95 G CA 0.543 45.660 45.100 0.029 0.000 0.775 95 G HN 0.575 nan 8.290 nan 0.000 0.543 96 Y N 0.090 120.444 120.300 0.090 0.000 2.181 96 Y HA -0.076 4.482 4.550 0.013 0.000 0.288 96 Y C 3.101 179.035 175.900 0.057 0.000 1.146 96 Y CA 0.897 59.028 58.100 0.051 0.000 1.164 96 Y CB -0.094 38.386 38.460 0.034 0.000 0.982 96 Y HN 0.012 nan 8.280 nan 0.000 0.515 97 R N 0.779 121.422 120.500 0.240 0.000 2.091 97 R HA -0.162 4.183 4.340 0.009 0.000 0.238 97 R C 2.095 178.499 176.300 0.174 0.000 1.136 97 R CA 1.799 58.006 56.100 0.178 0.000 0.959 97 R CB -0.572 29.819 30.300 0.152 0.000 0.856 97 R HN 0.259 nan 8.270 nan 0.000 0.437 98 S N 1.020 116.835 115.700 0.192 0.000 2.370 98 S HA -0.176 4.299 4.470 0.009 0.000 0.226 98 S C 2.030 176.738 174.600 0.181 0.000 1.033 98 S CA 1.824 60.135 58.200 0.186 0.000 1.011 98 S CB -0.206 63.127 63.200 0.221 0.000 0.852 98 S HN 0.340 nan 8.310 nan 0.000 0.457 99 M N 0.716 120.436 119.600 0.199 0.000 2.080 99 M HA -0.122 4.363 4.480 0.009 0.000 0.260 99 M C 2.463 178.897 176.300 0.223 0.000 1.068 99 M CA 1.562 57.003 55.300 0.235 0.000 1.109 99 M CB -0.446 32.225 32.600 0.118 0.000 1.342 99 M HN 0.335 nan 8.290 nan 0.000 0.405 100 M N -0.321 119.353 119.600 0.124 0.000 2.200 100 M HA -0.140 4.346 4.480 0.009 0.000 0.265 100 M C 1.949 178.358 176.300 0.182 0.000 1.066 100 M CA 1.620 57.000 55.300 0.133 0.000 1.127 100 M CB -0.108 32.550 32.600 0.098 0.000 1.379 100 M HN 0.158 nan 8.290 nan 0.000 0.420 101 S N 0.489 116.297 115.700 0.179 0.000 2.368 101 S HA -0.128 4.348 4.470 0.009 0.000 0.225 101 S C 1.869 176.537 174.600 0.113 0.000 1.030 101 S CA 1.557 59.863 58.200 0.177 0.000 0.999 101 S CB -0.545 62.726 63.200 0.118 0.000 0.844 101 S HN 0.434 nan 8.310 nan 0.000 0.459 102 V N 1.631 121.611 119.914 0.109 0.000 2.295 102 V HA -0.223 3.903 4.120 0.009 0.000 0.246 102 V C 2.608 178.761 176.094 0.099 0.000 1.049 102 V CA 2.104 64.452 62.300 0.080 0.000 1.024 102 V CB -0.741 31.159 31.823 0.129 0.000 0.648 102 V HN 0.398 nan 8.190 nan 0.000 0.447 103 Q N 0.187 120.089 119.800 0.170 0.000 2.050 103 Q HA -0.166 4.179 4.340 0.009 0.000 0.202 103 Q C 2.292 178.341 176.000 0.081 0.000 0.980 103 Q CA 2.516 58.413 55.803 0.157 0.000 0.840 103 Q CB -0.238 28.669 28.738 0.282 0.000 0.898 103 Q HN 0.662 nan 8.270 nan 0.000 0.424 104 S N -0.850 114.883 115.700 0.055 0.000 2.336 104 S HA 0.001 4.476 4.470 0.009 0.000 0.216 104 S C 2.054 176.617 174.600 -0.060 0.000 1.032 104 S CA 1.006 59.176 58.200 -0.050 0.000 0.973 104 S CB -0.251 62.857 63.200 -0.153 0.000 0.888 104 S HN 0.305 nan 8.310 nan 0.000 0.455 105 S N 1.108 116.805 115.700 -0.006 0.000 2.439 105 S HA 0.275 4.751 4.470 0.009 0.000 0.224 105 S C 1.521 176.101 174.600 -0.033 0.000 1.029 105 S CA 0.492 58.699 58.200 0.012 0.000 0.946 105 S CB -0.086 63.184 63.200 0.118 0.000 0.797 105 S HN 0.297 nan 8.310 nan 0.000 0.504 106 L N 0.251 121.420 121.223 -0.091 0.000 2.616 106 L HA 0.258 4.604 4.340 0.009 0.000 0.229 106 L C 1.189 178.128 176.870 0.114 0.000 1.110 106 L CA 0.085 54.775 54.840 -0.250 0.000 0.884 106 L CB 0.243 41.913 42.059 -0.647 0.000 1.115 106 L HN 0.152 nan 8.230 nan 0.000 0.481 107 V N -1.572 118.407 119.914 0.108 0.000 3.134 107 V HA 0.051 4.177 4.120 0.009 0.000 0.222 107 V C 2.010 178.164 176.094 0.099 0.000 1.247 107 V CA 0.382 62.762 62.300 0.133 0.000 1.281 107 V CB 0.151 32.023 31.823 0.081 0.000 1.169 107 V HN 0.136 nan 8.190 nan 0.000 0.512 108 M N 0.153 119.792 119.600 0.064 0.000 2.117 108 M HA -0.137 4.348 4.480 0.009 0.000 0.262 108 M C 2.231 178.565 176.300 0.056 0.000 1.065 108 M CA 1.641 56.969 55.300 0.047 0.000 1.114 108 M CB -0.404 32.197 32.600 0.002 0.000 1.361 108 M HN 0.241 nan 8.290 nan 0.000 0.408 109 V N 1.179 121.118 119.914 0.041 0.000 2.252 109 V HA -0.208 3.918 4.120 0.009 0.000 0.249 109 V C -0.578 175.528 176.094 0.020 0.000 1.056 109 V CA 2.257 64.588 62.300 0.051 0.000 1.022 109 V CB -2.026 29.821 31.823 0.040 0.000 0.641 109 V HN 0.305 nan 8.190 nan 0.000 0.445 110 P HA -0.109 nan 4.420 nan 0.000 0.217 110 P C 1.844 179.206 177.300 0.102 0.000 1.151 110 P CA 1.535 64.747 63.100 0.187 0.000 0.828 110 P CB -0.030 32.021 31.700 0.585 0.000 0.788 111 I N -1.399 119.224 120.570 0.089 0.000 2.179 111 I HA -0.250 3.926 4.170 0.009 0.000 0.242 111 I C 2.491 178.608 176.117 0.001 0.000 1.088 111 I CA 1.453 62.782 61.300 0.050 0.000 1.357 111 I CB -0.724 37.306 38.000 0.051 0.000 1.051 111 I HN -0.162 nan 8.210 nan 0.000 0.409 112 F N 1.923 121.783 119.950 -0.150 0.000 2.146 112 F HA -0.186 4.346 4.527 0.009 0.000 0.298 112 F C 2.505 178.176 175.800 -0.215 0.000 1.096 112 F CA 1.641 59.514 58.000 -0.211 0.000 1.275 112 F CB -0.199 38.692 39.000 -0.181 0.000 1.008 112 F HN -0.006 nan 8.300 nan 0.000 0.480 113 E N -0.635 119.270 120.200 -0.492 0.000 2.158 113 E HA -0.089 4.267 4.350 0.009 0.000 0.191 113 E C 1.511 177.820 176.600 -0.486 0.000 0.982 113 E CA 1.074 57.028 56.400 -0.745 0.000 0.823 113 E CB -0.286 28.734 29.700 -1.133 0.000 0.766 113 E HN 0.467 nan 8.360 nan 0.000 0.468 114 F N -0.644 119.298 119.950 -0.013 0.000 2.798 114 F HA 0.340 4.872 4.527 0.009 0.000 0.328 114 F C 1.193 177.035 175.800 0.071 0.000 1.098 114 F CA -0.454 57.584 58.000 0.063 0.000 1.172 114 F CB 0.079 39.138 39.000 0.097 0.000 1.072 114 F HN -0.200 nan 8.300 nan 0.000 0.555 115 G N 0.424 109.321 108.800 0.162 0.000 2.477 115 G HA2 0.434 4.400 3.960 0.009 0.000 0.304 115 G HA3 0.434 4.400 3.960 0.009 0.000 0.304 115 G C -0.006 174.983 174.900 0.148 0.000 1.175 115 G CA -0.306 44.856 45.100 0.103 0.000 0.907 115 G HN 0.161 nan 8.290 nan 0.000 0.509 116 S N 0.024 115.788 115.700 0.107 0.000 2.600 116 S HA 0.110 4.585 4.470 0.009 0.000 0.265 116 S C 0.728 175.392 174.600 0.106 0.000 1.325 116 S CA -0.181 58.103 58.200 0.140 0.000 1.002 116 S CB 1.208 64.459 63.200 0.084 0.000 0.921 116 S HN 0.503 nan 8.310 nan 0.000 0.554 117 D N 1.400 121.868 120.400 0.113 0.000 2.133 117 D HA -0.111 4.535 4.640 0.009 0.000 0.195 117 D C 2.227 178.597 176.300 0.116 0.000 0.997 117 D CA 1.818 55.888 54.000 0.117 0.000 0.840 117 D CB -0.894 39.980 40.800 0.123 0.000 0.947 117 D HN 0.705 nan 8.370 nan 0.000 0.452 118 A N 0.923 123.803 122.820 0.099 0.000 1.865 118 A HA -0.280 4.045 4.320 0.009 0.000 0.217 118 A C 2.177 179.819 177.584 0.097 0.000 1.191 118 A CA 1.876 53.965 52.037 0.087 0.000 0.623 118 A CB -0.801 18.244 19.000 0.075 0.000 0.826 118 A HN 0.241 nan 8.150 nan 0.000 0.444 119 Q N -0.465 119.416 119.800 0.135 0.000 2.061 119 Q HA -0.209 4.137 4.340 0.009 0.000 0.204 119 Q C 2.201 178.340 176.000 0.231 0.000 0.984 119 Q CA 1.946 57.899 55.803 0.250 0.000 0.846 119 Q CB -0.219 28.648 28.738 0.215 0.000 0.902 119 Q HN 0.639 nan 8.270 nan 0.000 0.421 120 K N 0.598 121.044 120.400 0.078 0.000 2.057 120 K HA -0.182 4.144 4.320 0.009 0.000 0.207 120 K C 1.957 178.576 176.600 0.032 0.000 1.049 120 K CA 1.407 57.639 56.287 -0.093 0.000 0.931 120 K CB -0.031 32.202 32.500 -0.446 0.000 0.714 120 K HN 0.261 nan 8.250 nan 0.000 0.440 121 E N 0.518 120.806 120.200 0.148 0.000 2.152 121 E HA -0.146 4.210 4.350 0.009 0.000 0.192 121 E C 1.972 178.619 176.600 0.078 0.000 0.983 121 E CA 0.771 57.293 56.400 0.204 0.000 0.818 121 E CB 0.149 29.956 29.700 0.179 0.000 0.758 121 E HN 0.185 nan 8.360 nan 0.000 0.467 122 K N -0.151 120.250 120.400 0.002 0.000 2.167 122 K HA -0.100 4.225 4.320 0.009 0.000 0.203 122 K C 1.184 177.682 176.600 -0.170 0.000 1.052 122 K CA 1.034 57.227 56.287 -0.156 0.000 0.956 122 K CB 0.196 32.506 32.500 -0.317 0.000 0.735 122 K HN 0.101 nan 8.250 nan 0.000 0.451 123 Y N 0.302 120.717 120.300 0.192 0.000 2.464 123 Y HA 0.120 4.676 4.550 0.010 0.000 0.288 123 Y C 1.934 177.929 175.900 0.158 0.000 1.133 123 Y CA 0.092 58.354 58.100 0.270 0.000 1.223 123 Y CB -0.106 38.487 38.460 0.222 0.000 1.187 123 Y HN -0.137 nan 8.280 nan 0.000 0.539 124 L N 0.325 121.689 121.223 0.234 0.000 1.989 124 L HA -0.184 4.161 4.340 0.009 0.000 0.211 124 L C -0.539 176.389 176.870 0.097 0.000 1.071 124 L CA 1.644 56.570 54.840 0.144 0.000 0.749 124 L CB -1.788 40.324 42.059 0.088 0.000 0.890 124 L HN 0.162 nan 8.230 nan 0.000 0.431 125 P HA -0.185 nan 4.420 nan 0.000 0.215 125 P C 1.379 178.634 177.300 -0.076 0.000 1.153 125 P CA 1.448 64.545 63.100 -0.005 0.000 0.853 125 P CB -0.004 31.677 31.700 -0.031 0.000 0.788 126 K N -0.787 119.513 120.400 -0.166 0.000 2.155 126 K HA -0.027 4.299 4.320 0.009 0.000 0.203 126 K C 2.085 178.659 176.600 -0.043 0.000 1.052 126 K CA 1.022 57.138 56.287 -0.286 0.000 0.948 126 K CB -0.663 31.314 32.500 -0.872 0.000 0.728 126 K HN 0.187 nan 8.250 nan 0.000 0.448 127 L N 0.629 121.916 121.223 0.106 0.000 2.046 127 L HA -0.173 4.172 4.340 0.009 0.000 0.208 127 L C 2.591 179.506 176.870 0.074 0.000 1.077 127 L CA 1.190 56.112 54.840 0.137 0.000 0.747 127 L CB -0.623 41.531 42.059 0.158 0.000 0.896 127 L HN 0.151 nan 8.230 nan 0.000 0.432 128 A N 0.063 122.904 122.820 0.035 0.000 1.972 128 A HA -0.210 4.115 4.320 0.009 0.000 0.219 128 A C 2.376 179.958 177.584 -0.004 0.000 1.169 128 A CA 2.257 54.296 52.037 0.005 0.000 0.635 128 A CB -0.892 18.100 19.000 -0.014 0.000 0.810 128 A HN 0.537 nan 8.150 nan 0.000 0.446 129 T N -4.905 109.640 114.554 -0.015 0.000 3.081 129 T HA 0.393 4.748 4.350 0.009 0.000 0.255 129 T C 1.472 176.182 174.700 0.017 0.000 1.113 129 T CA 1.100 63.187 62.100 -0.022 0.000 1.082 129 T CB 0.141 68.978 68.868 -0.053 0.000 0.939 129 T HN 1.688 nan 8.240 nan 0.000 0.506 130 G N 1.402 110.239 108.800 0.061 0.000 2.176 130 G HA2 -0.327 3.638 3.960 0.009 0.000 0.253 130 G HA3 -0.327 3.638 3.960 0.009 0.000 0.253 130 G C 0.594 175.562 174.900 0.113 0.000 0.979 130 G CA 0.612 45.798 45.100 0.143 0.000 0.641 130 G HN 0.607 nan 8.290 nan 0.000 0.530 131 E N -1.212 119.009 120.200 0.035 0.000 2.085 131 E HA -0.085 4.271 4.350 0.009 0.000 0.194 131 E C 0.515 177.213 176.600 0.164 0.000 0.994 131 E CA 0.857 57.266 56.400 0.014 0.000 0.801 131 E CB 0.037 29.645 29.700 -0.153 0.000 0.743 131 E HN 0.483 nan 8.360 nan 0.000 0.453 132 W N 0.522 121.822 121.300 0.000 0.000 2.496 132 W HA 0.480 5.146 4.660 0.009 0.000 0.327 132 W C -0.306 176.141 176.519 -0.121 0.000 1.086 132 W CA -1.048 56.279 57.345 -0.030 0.000 1.222 132 W CB 0.598 30.073 29.460 0.026 0.000 1.304 132 W HN -0.053 nan 8.180 nan 0.000 0.547 133 I N 2.540 123.100 120.570 -0.017 0.000 2.377 133 I HA 0.558 4.734 4.170 0.009 0.000 0.293 133 I C 0.829 176.756 176.117 -0.316 0.000 0.987 133 I CA -0.590 60.492 61.300 -0.364 0.000 1.185 133 I CB 1.350 38.960 38.000 -0.649 0.000 1.341 133 I HN 0.391 nan 8.210 nan 0.000 0.455 134 G N 4.079 112.710 108.800 -0.282 0.000 2.441 134 G HA2 0.657 4.622 3.960 0.009 0.000 0.334 134 G HA3 0.657 4.622 3.960 0.009 0.000 0.334 134 G C -0.810 173.949 174.900 -0.235 0.000 1.161 134 G CA -0.479 44.486 45.100 -0.224 0.000 0.935 134 G HN 0.886 nan 8.290 nan 0.000 0.488 135 C N -0.913 118.233 119.300 -0.256 0.000 3.285 135 C HA 0.895 5.361 4.460 0.009 0.000 0.320 135 C C -1.177 173.882 174.990 0.115 0.000 1.411 135 C CA -1.525 57.437 59.018 -0.093 0.000 1.429 135 C CB 1.017 28.633 27.740 -0.207 0.000 1.812 135 C HN 0.776 nan 8.230 nan 0.000 0.454 136 F N 0.931 120.907 119.950 0.043 0.000 2.579 136 F HA 0.647 5.178 4.527 0.008 0.000 0.325 136 F C 0.124 176.035 175.800 0.186 0.000 1.162 136 F CA -0.054 58.032 58.000 0.143 0.000 0.946 136 F CB 1.464 40.571 39.000 0.178 0.000 1.211 136 F HN 1.100 nan 8.300 nan 0.000 0.447 137 G N 6.520 115.246 108.800 -0.123 0.000 2.655 137 G HA2 0.438 4.404 3.960 0.009 0.000 0.334 137 G HA3 0.438 4.404 3.960 0.009 0.000 0.334 137 G C -0.559 174.256 174.900 -0.141 0.000 1.099 137 G CA -0.257 44.807 45.100 -0.061 0.000 1.075 137 G HN 0.739 nan 8.290 nan 0.000 0.463 138 L N 2.221 123.357 121.223 -0.145 0.000 2.588 138 L HA 0.397 4.742 4.340 0.009 0.000 0.194 138 L C 1.384 178.292 176.870 0.063 0.000 1.070 138 L CA 0.795 55.599 54.840 -0.061 0.000 0.852 138 L CB -0.025 41.956 42.059 -0.130 0.000 1.199 138 L HN 0.271 nan 8.230 nan 0.000 0.486 139 T N 2.121 116.751 114.554 0.126 0.000 2.902 139 T HA 0.166 4.522 4.350 0.009 0.000 0.301 139 T C -0.236 174.541 174.700 0.129 0.000 1.012 139 T CA 0.284 62.481 62.100 0.163 0.000 1.151 139 T CB 0.123 69.136 68.868 0.241 0.000 0.946 139 T HN 0.246 nan 8.240 nan 0.000 0.542 140 E N 3.202 123.473 120.200 0.118 0.000 2.288 140 E HA 0.253 4.608 4.350 0.009 0.000 0.268 140 E C -1.724 174.935 176.600 0.098 0.000 0.885 140 E CA -2.408 54.042 56.400 0.084 0.000 0.767 140 E CB 1.734 31.469 29.700 0.057 0.000 1.220 140 E HN 0.215 nan 8.360 nan 0.000 0.427 141 P HA -0.318 nan 4.420 nan 0.000 0.222 141 P C 0.711 178.064 177.300 0.088 0.000 1.155 141 P CA 2.490 65.631 63.100 0.068 0.000 0.890 141 P CB 0.188 31.904 31.700 0.026 0.000 0.790 142 N N -3.927 114.816 118.700 0.071 0.000 2.445 142 N HA 0.011 4.756 4.740 0.009 0.000 0.204 142 N C 1.545 177.092 175.510 0.062 0.000 1.098 142 N CA 0.748 53.837 53.050 0.064 0.000 0.859 142 N CB -0.961 37.552 38.487 0.043 0.000 1.249 142 N HN 0.408 nan 8.380 nan 0.000 0.462 143 H N -0.556 118.549 119.070 0.060 0.000 2.520 143 H HA 0.641 5.203 4.556 0.009 0.000 0.284 143 H C 2.020 177.393 175.328 0.075 0.000 1.037 143 H CA 0.581 56.660 56.048 0.051 0.000 1.168 143 H CB -0.624 29.160 29.762 0.035 0.000 1.497 143 H HN 1.077 nan 8.280 nan 0.000 0.547 144 G N 0.309 109.172 108.800 0.106 0.000 2.591 144 G HA2 -0.313 3.653 3.960 0.009 0.000 0.298 144 G HA3 -0.313 3.653 3.960 0.009 0.000 0.298 144 G C 1.262 176.243 174.900 0.135 0.000 1.195 144 G CA 0.937 46.120 45.100 0.138 0.000 0.989 144 G HN 0.965 nan 8.290 nan 0.000 0.551 145 S N 1.855 117.640 115.700 0.142 0.000 2.554 145 S HA 0.481 4.957 4.470 0.009 0.000 0.226 145 S C 0.842 175.524 174.600 0.137 0.000 0.980 145 S CA 1.145 59.432 58.200 0.146 0.000 0.939 145 S CB -0.036 63.264 63.200 0.166 0.000 0.832 145 S HN 1.316 nan 8.310 nan 0.000 0.486 146 D N 2.818 123.289 120.400 0.119 0.000 2.382 146 D HA 0.271 4.916 4.640 0.009 0.000 0.259 146 D C -1.659 174.690 176.300 0.083 0.000 1.224 146 D CA -1.348 52.722 54.000 0.116 0.000 0.894 146 D CB -0.060 40.789 40.800 0.082 0.000 1.127 146 D HN 0.085 nan 8.370 nan 0.000 0.487 147 P HA -0.015 nan 4.420 nan 0.000 0.215 147 P C 2.185 179.470 177.300 -0.025 0.000 1.157 147 P CA 1.380 64.475 63.100 -0.008 0.000 0.859 147 P CB 0.100 31.732 31.700 -0.113 0.000 0.786 148 G N -0.497 108.286 108.800 -0.029 0.000 2.517 148 G HA2 -0.252 3.713 3.960 0.009 0.000 0.222 148 G HA3 -0.252 3.713 3.960 0.009 0.000 0.222 148 G C 1.493 176.390 174.900 -0.005 0.000 1.109 148 G CA 1.042 46.127 45.100 -0.026 0.000 0.746 148 G HN 0.254 nan 8.290 nan 0.000 0.576 149 S N 0.244 115.951 115.700 0.011 0.000 2.575 149 S HA 0.205 4.681 4.470 0.009 0.000 0.215 149 S C 1.118 175.730 174.600 0.019 0.000 0.966 149 S CA -0.092 58.117 58.200 0.015 0.000 0.911 149 S CB -0.176 63.037 63.200 0.020 0.000 0.780 149 S HN 0.647 nan 8.310 nan 0.000 0.514 150 M N 0.816 120.429 119.600 0.022 0.000 2.248 150 M HA 0.275 4.761 4.480 0.009 0.000 0.337 150 M C 0.826 177.139 176.300 0.021 0.000 1.121 150 M CA -0.015 55.302 55.300 0.029 0.000 1.155 150 M CB 0.597 33.221 32.600 0.039 0.000 1.514 150 M HN -0.017 nan 8.290 nan 0.000 0.452 151 V N -1.498 118.427 119.914 0.018 0.000 3.477 151 V HA 0.205 4.330 4.120 0.009 0.000 0.297 151 V C 0.609 176.703 176.094 0.001 0.000 1.433 151 V CA -0.192 62.113 62.300 0.009 0.000 1.052 151 V CB -0.197 31.630 31.823 0.006 0.000 0.895 151 V HN 0.949 nan 8.190 nan 0.000 0.438 152 T N 3.356 117.911 114.554 0.002 0.000 2.928 152 T HA 0.407 4.762 4.350 0.009 0.000 0.305 152 T C -0.068 174.618 174.700 -0.023 0.000 1.035 152 T CA 0.632 62.721 62.100 -0.018 0.000 1.145 152 T CB 0.605 69.461 68.868 -0.019 0.000 0.963 152 T HN 0.721 nan 8.240 nan 0.000 0.545 153 R N 1.516 121.982 120.500 -0.056 0.000 2.575 153 R HA 0.649 4.994 4.340 0.009 0.000 0.293 153 R C -1.373 174.858 176.300 -0.115 0.000 0.983 153 R CA -0.544 55.524 56.100 -0.053 0.000 0.887 153 R CB 1.196 31.477 30.300 -0.031 0.000 1.184 153 R HN 0.670 nan 8.270 nan 0.000 0.445 154 A N 4.577 127.328 122.820 -0.114 0.000 2.304 154 A HA 0.708 5.033 4.320 0.009 0.000 0.323 154 A C -0.751 176.837 177.584 0.007 0.000 1.195 154 A CA -0.882 51.055 52.037 -0.167 0.000 0.826 154 A CB 0.787 19.573 19.000 -0.356 0.000 1.184 154 A HN 0.637 nan 8.150 nan 0.000 0.496 155 R N 1.654 122.172 120.500 0.029 0.000 2.514 155 R HA 0.359 4.704 4.340 0.009 0.000 0.301 155 R C -0.680 175.691 176.300 0.118 0.000 0.962 155 R CA -0.950 55.190 56.100 0.067 0.000 0.882 155 R CB 1.542 31.856 30.300 0.024 0.000 1.143 155 R HN 0.696 nan 8.270 nan 0.000 0.452 156 K N 2.033 122.496 120.400 0.105 0.000 2.379 156 K HA 0.170 4.495 4.320 0.009 0.000 0.284 156 K C -0.171 176.399 176.600 -0.050 0.000 1.044 156 K CA -0.166 56.113 56.287 -0.013 0.000 0.974 156 K CB 0.402 32.900 32.500 -0.003 0.000 0.962 156 K HN 0.511 nan 8.250 nan 0.000 0.474 157 V N 1.356 121.209 119.914 -0.102 0.000 3.158 157 V HA 0.753 4.879 4.120 0.009 0.000 0.311 157 V C -2.653 173.415 176.094 -0.043 0.000 1.181 157 V CA -2.758 59.523 62.300 -0.031 0.000 1.054 157 V CB 1.490 33.339 31.823 0.043 0.000 1.085 157 V HN 0.665 nan 8.190 nan 0.000 0.446 158 P HA 0.450 nan 4.420 nan 0.000 0.271 158 P C 0.830 178.165 177.300 0.059 0.000 1.220 158 P CA 1.576 64.670 63.100 -0.010 0.000 0.768 158 P CB 0.845 32.530 31.700 -0.025 0.000 0.848 159 G N 1.574 110.409 108.800 0.057 0.000 2.268 159 G HA2 -0.032 3.934 3.960 0.009 0.000 0.240 159 G HA3 -0.032 3.934 3.960 0.009 0.000 0.240 159 G C 0.508 175.493 174.900 0.142 0.000 1.010 159 G CA 0.374 45.581 45.100 0.178 0.000 0.618 159 G HN 1.002 nan 8.290 nan 0.000 0.516 160 G N -1.318 107.443 108.800 -0.066 0.000 2.198 160 G HA2 0.511 4.476 3.960 0.009 0.000 0.057 160 G HA3 0.511 4.476 3.960 0.009 0.000 0.057 160 G C -0.922 173.485 174.900 -0.821 0.000 0.803 160 G CA 0.259 45.078 45.100 -0.468 0.000 1.140 160 G HN 1.082 nan 8.290 nan 0.000 0.405 161 Y N -0.154 120.041 120.300 -0.174 0.000 2.562 161 Y HA 0.778 5.333 4.550 0.009 0.000 0.345 161 Y C 0.039 175.839 175.900 -0.167 0.000 1.045 161 Y CA -0.551 57.466 58.100 -0.139 0.000 1.028 161 Y CB 2.453 40.814 38.460 -0.165 0.000 1.297 161 Y HN 0.545 nan 8.280 nan 0.000 0.463 162 S N 1.960 117.681 115.700 0.036 0.000 2.473 162 S HA 0.787 5.263 4.470 0.009 0.000 0.307 162 S C -1.633 172.899 174.600 -0.114 0.000 1.094 162 S CA -0.398 57.794 58.200 -0.013 0.000 1.070 162 S CB 0.361 63.579 63.200 0.030 0.000 1.019 162 S HN 0.493 nan 8.310 nan 0.000 0.480 163 L N 3.623 124.740 121.223 -0.176 0.000 2.346 163 L HA 0.664 5.010 4.340 0.009 0.000 0.276 163 L C -0.455 176.321 176.870 -0.157 0.000 1.006 163 L CA -0.009 54.687 54.840 -0.241 0.000 0.817 163 L CB 2.210 44.034 42.059 -0.392 0.000 1.272 163 L HN 0.644 nan 8.230 nan 0.000 0.421 164 S N 1.023 116.645 115.700 -0.130 0.000 2.575 164 S HA 0.962 5.438 4.470 0.009 0.000 0.278 164 S C -0.267 174.285 174.600 -0.080 0.000 1.139 164 S CA -0.430 57.714 58.200 -0.093 0.000 0.954 164 S CB 1.979 65.140 63.200 -0.065 0.000 1.054 164 S HN 1.027 nan 8.310 nan 0.000 0.483 165 G N 0.881 109.638 108.800 -0.072 0.000 2.327 165 G HA2 0.501 4.466 3.960 0.009 0.000 0.291 165 G HA3 0.501 4.466 3.960 0.009 0.000 0.291 165 G C -1.691 173.179 174.900 -0.051 0.000 1.290 165 G CA -0.473 44.596 45.100 -0.052 0.000 0.857 165 G HN 0.737 nan 8.290 nan 0.000 0.520 166 S N -0.638 115.040 115.700 -0.036 0.000 2.536 166 S HA 0.746 5.221 4.470 0.009 0.000 0.287 166 S C -0.963 173.626 174.600 -0.017 0.000 1.101 166 S CA -0.733 57.446 58.200 -0.035 0.000 0.950 166 S CB 1.371 64.548 63.200 -0.038 0.000 1.056 166 S HN 0.554 nan 8.310 nan 0.000 0.481 167 K N 2.289 122.681 120.400 -0.013 0.000 2.259 167 K HA 0.605 4.931 4.320 0.009 0.000 0.249 167 K C -0.855 175.743 176.600 -0.005 0.000 0.942 167 K CA -0.794 55.502 56.287 0.015 0.000 0.816 167 K CB 1.739 34.260 32.500 0.035 0.000 1.155 167 K HN 0.612 nan 8.250 nan 0.000 0.428 168 M N 0.634 120.243 119.600 0.015 0.000 2.530 168 M HA 0.331 4.816 4.480 0.009 0.000 0.307 168 M C -1.448 174.878 176.300 0.043 0.000 1.161 168 M CA -0.173 55.066 55.300 -0.101 0.000 0.903 168 M CB 1.012 33.535 32.600 -0.127 0.000 1.711 168 M HN 0.617 nan 8.290 nan 0.000 0.451 169 W N 4.398 125.743 121.300 0.075 0.000 5.721 169 W HA -0.160 4.505 4.660 0.007 0.000 0.406 169 W C -0.849 175.734 176.519 0.106 0.000 1.576 169 W CA -0.266 57.133 57.345 0.091 0.000 0.977 169 W CB -1.630 27.896 29.460 0.110 0.000 2.771 169 W HN 0.370 nan 8.180 nan 0.000 1.435 170 I N 1.244 121.946 120.570 0.220 0.000 2.307 170 I HA 0.120 4.295 4.170 0.009 0.000 0.287 170 I C 1.153 177.374 176.117 0.173 0.000 1.054 170 I CA -0.439 60.979 61.300 0.196 0.000 1.218 170 I CB -0.078 38.010 38.000 0.147 0.000 1.398 170 I HN -0.126 nan 8.210 nan 0.000 0.475 171 T N 7.362 122.033 114.554 0.195 0.000 2.908 171 T HA 0.031 4.386 4.350 0.009 0.000 0.301 171 T C 0.997 175.777 174.700 0.133 0.000 1.019 171 T CA 0.464 62.669 62.100 0.176 0.000 1.152 171 T CB 0.084 69.061 68.868 0.181 0.000 0.966 171 T HN 0.622 nan 8.240 nan 0.000 0.540 172 N N 0.321 119.095 118.700 0.125 0.000 2.980 172 N HA -0.235 4.511 4.740 0.009 0.000 0.219 172 N C 1.580 177.068 175.510 -0.036 0.000 0.883 172 N CA 1.557 54.645 53.050 0.062 0.000 1.018 172 N CB -1.759 36.731 38.487 0.006 0.000 1.041 172 N HN 0.737 nan 8.380 nan 0.000 0.592 173 S N 0.244 115.941 115.700 -0.005 0.000 2.370 173 S HA -0.039 4.437 4.470 0.009 0.000 0.226 173 S C -0.911 173.715 174.600 0.043 0.000 1.033 173 S CA 1.504 59.697 58.200 -0.012 0.000 1.011 173 S CB -1.030 62.240 63.200 0.117 0.000 0.852 173 S HN 0.250 nan 8.310 nan 0.000 0.457 174 P HA 0.147 nan 4.420 nan 0.000 0.234 174 P C 1.042 178.373 177.300 0.052 0.000 1.167 174 P CA 0.711 63.848 63.100 0.061 0.000 0.763 174 P CB -0.302 31.421 31.700 0.039 0.000 0.835 175 I N -6.819 113.756 120.570 0.009 0.000 4.147 175 I HA 0.484 4.660 4.170 0.009 0.000 0.329 175 I C 0.420 176.468 176.117 -0.114 0.000 1.424 175 I CA -0.820 60.472 61.300 -0.013 0.000 1.127 175 I CB 0.192 38.202 38.000 0.017 0.000 1.128 175 I HN -0.310 nan 8.210 nan 0.000 0.417 176 A N 1.317 124.007 122.820 -0.216 0.000 2.371 176 A HA 0.288 4.613 4.320 0.009 0.000 0.257 176 A C 0.506 177.911 177.584 -0.299 0.000 1.089 176 A CA -0.116 51.659 52.037 -0.438 0.000 0.794 176 A CB 0.284 18.741 19.000 -0.905 0.000 1.029 176 A HN 0.388 nan 8.150 nan 0.000 0.488 177 D N 0.306 120.534 120.400 -0.286 0.000 2.338 177 D HA 0.119 4.765 4.640 0.009 0.000 0.208 177 D C -0.138 176.028 176.300 -0.223 0.000 0.997 177 D CA 1.069 54.927 54.000 -0.237 0.000 0.880 177 D CB 0.489 41.056 40.800 -0.389 0.000 0.980 177 D HN 0.227 nan 8.370 nan 0.000 0.509 178 V N 1.170 120.901 119.914 -0.304 0.000 2.588 178 V HA 0.363 4.489 4.120 0.009 0.000 0.304 178 V C -1.058 174.864 176.094 -0.287 0.000 1.042 178 V CA -0.711 61.478 62.300 -0.186 0.000 0.877 178 V CB 2.041 33.777 31.823 -0.145 0.000 0.996 178 V HN -0.113 nan 8.190 nan 0.000 0.425 179 F N 3.136 122.984 119.950 -0.171 0.000 2.507 179 F HA 0.571 5.103 4.527 0.008 0.000 0.328 179 F C -0.094 175.606 175.800 -0.166 0.000 1.136 179 F CA -0.963 56.962 58.000 -0.125 0.000 0.930 179 F CB 2.135 41.063 39.000 -0.120 0.000 1.166 179 F HN 0.162 nan 8.300 nan 0.000 0.436 180 V N 5.163 125.081 119.914 0.008 0.000 2.318 180 V HA 0.388 4.513 4.120 0.009 0.000 0.271 180 V C -0.318 175.609 176.094 -0.279 0.000 1.030 180 V CA -0.591 61.625 62.300 -0.141 0.000 0.844 180 V CB 1.124 32.928 31.823 -0.031 0.000 1.015 180 V HN 0.496 nan 8.190 nan 0.000 0.460 181 V N 4.409 124.107 119.914 -0.360 0.000 2.513 181 V HA 0.518 4.644 4.120 0.009 0.000 0.299 181 V C -0.774 175.049 176.094 -0.450 0.000 1.035 181 V CA -0.859 61.257 62.300 -0.307 0.000 0.889 181 V CB 1.920 33.666 31.823 -0.127 0.000 0.988 181 V HN 0.866 nan 8.190 nan 0.000 0.440 182 W N 2.736 123.989 121.300 -0.078 0.000 2.520 182 W HA 0.810 5.475 4.660 0.008 0.000 0.323 182 W C 0.068 176.591 176.519 0.006 0.000 1.062 182 W CA -0.277 57.045 57.345 -0.038 0.000 1.215 182 W CB 1.821 31.202 29.460 -0.131 0.000 1.340 182 W HN 0.759 nan 8.180 nan 0.000 0.516 183 A N 2.320 125.316 122.820 0.294 0.000 2.604 183 A HA 0.627 4.953 4.320 0.009 0.000 0.295 183 A C -1.320 176.371 177.584 0.179 0.000 1.067 183 A CA -1.202 50.938 52.037 0.173 0.000 0.683 183 A CB 1.399 20.423 19.000 0.039 0.000 1.281 183 A HN 0.556 nan 8.150 nan 0.000 0.407 184 K N 0.368 120.823 120.400 0.091 0.000 2.234 184 K HA 0.467 4.792 4.320 0.009 0.000 0.282 184 K C -1.295 175.350 176.600 0.075 0.000 1.039 184 K CA -0.361 55.968 56.287 0.070 0.000 0.928 184 K CB 1.249 33.770 32.500 0.035 0.000 1.039 184 K HN 0.488 nan 8.250 nan 0.000 0.470 185 L N 3.377 124.649 121.223 0.081 0.000 2.342 185 L HA 0.269 4.615 4.340 0.009 0.000 0.276 185 L C -1.064 175.843 176.870 0.061 0.000 0.997 185 L CA -0.413 54.481 54.840 0.091 0.000 0.838 185 L CB 1.386 43.523 42.059 0.129 0.000 1.224 185 L HN 0.490 nan 8.230 nan 0.000 0.416 186 D N 3.519 123.952 120.400 0.055 0.000 2.312 186 D HA 0.276 4.922 4.640 0.009 0.000 0.252 186 D C -0.824 175.504 176.300 0.046 0.000 1.150 186 D CA 0.282 54.305 54.000 0.039 0.000 0.870 186 D CB 0.809 41.626 40.800 0.029 0.000 1.153 186 D HN 0.624 nan 8.370 nan 0.000 0.457 187 E N 2.969 123.190 120.200 0.035 0.000 2.191 187 E HA 0.245 4.601 4.350 0.009 0.000 0.263 187 E C 0.049 176.661 176.600 0.020 0.000 0.881 187 E CA -0.599 55.821 56.400 0.033 0.000 0.757 187 E CB 1.225 30.946 29.700 0.035 0.000 1.147 187 E HN 0.680 nan 8.360 nan 0.000 0.414 188 D N 2.273 122.684 120.400 0.019 0.000 3.987 188 D HA -0.405 4.241 4.640 0.009 0.000 0.190 188 D C 1.404 177.710 176.300 0.010 0.000 0.743 188 D CA 1.665 55.672 54.000 0.013 0.000 0.901 188 D CB -1.008 39.798 40.800 0.010 0.000 0.412 188 D HN 0.582 nan 8.370 nan 0.000 0.349 189 G N 0.062 108.867 108.800 0.007 0.000 2.469 189 G HA2 -0.305 3.661 3.960 0.009 0.000 0.219 189 G HA3 -0.305 3.661 3.960 0.009 0.000 0.219 189 G C 0.803 175.706 174.900 0.004 0.000 1.150 189 G CA 1.082 46.185 45.100 0.004 0.000 0.763 189 G HN 0.613 nan 8.290 nan 0.000 0.561 190 R N 0.680 121.183 120.500 0.005 0.000 2.295 190 R HA 0.304 4.650 4.340 0.009 0.000 0.324 190 R C -1.709 174.594 176.300 0.005 0.000 0.968 190 R CA -0.648 55.453 56.100 0.001 0.000 0.837 190 R CB 0.918 31.216 30.300 -0.003 0.000 1.133 190 R HN -0.030 nan 8.270 nan 0.000 0.450 191 D N 2.847 123.249 120.400 0.002 0.000 2.313 191 D HA 0.175 4.821 4.640 0.009 0.000 0.239 191 D C -0.973 175.325 176.300 -0.003 0.000 1.142 191 D CA 0.063 54.066 54.000 0.006 0.000 0.847 191 D CB 1.238 42.041 40.800 0.005 0.000 1.082 191 D HN 0.399 nan 8.370 nan 0.000 0.480 192 E N 2.161 122.360 120.200 -0.001 0.000 2.369 192 E HA 0.467 4.823 4.350 0.009 0.000 0.270 192 E C -0.889 175.707 176.600 -0.007 0.000 0.909 192 E CA -0.789 55.599 56.400 -0.019 0.000 0.775 192 E CB 1.319 30.997 29.700 -0.036 0.000 1.270 192 E HN 0.348 nan 8.360 nan 0.000 0.445 193 I N 3.594 124.150 120.570 -0.023 0.000 2.452 193 I HA 0.267 4.443 4.170 0.009 0.000 0.287 193 I C 0.435 176.573 176.117 0.034 0.000 1.079 193 I CA -0.164 61.149 61.300 0.021 0.000 1.387 193 I CB 0.228 38.211 38.000 -0.030 0.000 1.404 193 I HN 0.104 nan 8.210 nan 0.000 0.522 194 R N 4.342 124.877 120.500 0.059 0.000 2.854 194 R HA 0.674 5.019 4.340 0.009 0.000 0.271 194 R C -0.213 175.952 176.300 -0.225 0.000 0.996 194 R CA -1.030 54.972 56.100 -0.162 0.000 0.961 194 R CB 1.816 31.826 30.300 -0.484 0.000 1.182 194 R HN 0.722 nan 8.270 nan 0.000 0.479 195 G N 1.049 109.464 108.800 -0.642 0.000 2.379 195 G HA2 0.655 4.621 3.960 0.009 0.000 0.327 195 G HA3 0.655 4.621 3.960 0.009 0.000 0.327 195 G C -1.160 173.063 174.900 -1.129 0.000 1.145 195 G CA -0.293 44.088 45.100 -1.198 0.000 0.905 195 G HN 0.257 nan 8.290 nan 0.000 0.466 196 F N 0.596 120.172 119.950 -0.624 0.000 2.551 196 F HA 0.531 5.064 4.527 0.009 0.000 0.316 196 F C 0.187 175.754 175.800 -0.389 0.000 1.089 196 F CA -0.873 56.866 58.000 -0.435 0.000 0.915 196 F CB 2.479 41.257 39.000 -0.371 0.000 1.186 196 F HN 0.176 nan 8.300 nan 0.000 0.456 197 I N 4.126 124.615 120.570 -0.136 0.000 2.321 197 I HA 0.431 4.606 4.170 0.009 0.000 0.291 197 I C -0.940 175.105 176.117 -0.120 0.000 0.998 197 I CA -0.445 60.734 61.300 -0.200 0.000 1.227 197 I CB 1.131 38.922 38.000 -0.350 0.000 1.368 197 I HN 0.351 nan 8.210 nan 0.000 0.466 198 L N 6.206 127.377 121.223 -0.087 0.000 2.309 198 L HA 0.572 4.918 4.340 0.009 0.000 0.261 198 L C -0.367 176.501 176.870 -0.003 0.000 1.021 198 L CA -0.511 54.281 54.840 -0.080 0.000 0.823 198 L CB 1.754 43.709 42.059 -0.174 0.000 1.366 198 L HN 0.479 nan 8.230 nan 0.000 0.423 199 E N 0.096 120.271 120.200 -0.041 0.000 2.256 199 E HA 0.334 4.689 4.350 0.009 0.000 0.267 199 E C -1.254 175.322 176.600 -0.040 0.000 0.892 199 E CA -1.140 55.257 56.400 -0.006 0.000 0.775 199 E CB 2.340 32.008 29.700 -0.054 0.000 1.207 199 E HN 0.377 nan 8.360 nan 0.000 0.420 200 K N 0.529 120.970 120.400 0.070 0.000 2.524 200 K HA 0.049 4.375 4.320 0.009 0.000 0.279 200 K C 0.762 177.343 176.600 -0.032 0.000 0.993 200 K CA 1.436 57.764 56.287 0.068 0.000 1.030 200 K CB 0.012 32.583 32.500 0.119 0.000 0.891 200 K HN 0.703 nan 8.250 nan 0.000 0.488 201 G N 2.668 111.435 108.800 -0.056 0.000 2.234 201 G HA2 -0.314 3.652 3.960 0.009 0.000 0.235 201 G HA3 -0.314 3.652 3.960 0.009 0.000 0.235 201 G C 0.344 175.213 174.900 -0.052 0.000 0.997 201 G CA -0.076 44.998 45.100 -0.042 0.000 0.623 201 G HN 0.926 nan 8.290 nan 0.000 0.514 202 C N 2.871 122.125 119.300 -0.076 0.000 2.523 202 C HA 0.528 4.994 4.460 0.009 0.000 0.406 202 C C 1.498 176.447 174.990 -0.069 0.000 1.449 202 C CA 0.864 59.845 59.018 -0.062 0.000 1.588 202 C CB -1.245 26.440 27.740 -0.091 0.000 2.514 202 C HN 1.391 nan 8.230 nan 0.000 0.606 203 K N 4.343 124.723 120.400 -0.033 0.000 2.484 203 K HA 0.447 4.773 4.320 0.009 0.000 0.280 203 K C 1.474 178.045 176.600 -0.048 0.000 1.013 203 K CA 0.641 56.905 56.287 -0.037 0.000 1.029 203 K CB -0.296 32.190 32.500 -0.023 0.000 0.902 203 K HN 2.506 nan 8.250 nan 0.000 0.481 204 G N -0.048 108.713 108.800 -0.064 0.000 2.194 204 G HA2 -0.107 3.858 3.960 0.009 0.000 0.236 204 G HA3 -0.107 3.858 3.960 0.009 0.000 0.236 204 G C 0.003 174.832 174.900 -0.118 0.000 0.987 204 G CA 0.228 45.283 45.100 -0.076 0.000 0.635 204 G HN 1.503 nan 8.290 nan 0.000 0.520 205 L N 2.578 123.708 121.223 -0.154 0.000 2.287 205 L HA 0.830 5.176 4.340 0.009 0.000 0.287 205 L C 0.224 176.974 176.870 -0.200 0.000 1.022 205 L CA -0.165 54.532 54.840 -0.238 0.000 0.814 205 L CB 1.637 43.470 42.059 -0.377 0.000 1.217 205 L HN 0.734 nan 8.230 nan 0.000 0.420 206 S N 3.500 119.100 115.700 -0.166 0.000 2.599 206 S HA 0.946 5.422 4.470 0.009 0.000 0.287 206 S C -0.504 174.057 174.600 -0.064 0.000 1.105 206 S CA -0.254 57.885 58.200 -0.102 0.000 0.899 206 S CB 1.912 65.074 63.200 -0.063 0.000 1.100 206 S HN 1.119 nan 8.310 nan 0.000 0.482 207 A N 1.852 124.673 122.820 0.002 0.000 3.370 207 A HA 0.579 4.904 4.320 0.009 0.000 0.295 207 A C -2.828 174.778 177.584 0.037 0.000 1.030 207 A CA -1.308 50.766 52.037 0.062 0.000 0.883 207 A CB 0.050 19.175 19.000 0.208 0.000 1.191 207 A HN 0.642 nan 8.150 nan 0.000 0.507 208 P HA 0.291 nan 4.420 nan 0.000 0.268 208 P C 0.355 177.633 177.300 -0.037 0.000 1.205 208 P CA 0.416 63.511 63.100 -0.008 0.000 0.771 208 P CB 1.035 32.722 31.700 -0.022 0.000 0.858 209 A N 4.087 126.878 122.820 -0.048 0.000 2.366 209 A HA 0.392 4.717 4.320 0.009 0.000 0.249 209 A C 0.345 177.791 177.584 -0.229 0.000 1.084 209 A CA -0.408 51.532 52.037 -0.162 0.000 0.794 209 A CB -0.209 18.642 19.000 -0.248 0.000 1.034 209 A HN 0.538 nan 8.150 nan 0.000 0.491 210 I N 1.063 121.456 120.570 -0.296 0.000 2.378 210 I HA 0.342 4.518 4.170 0.009 0.000 0.291 210 I C -0.348 175.594 176.117 -0.291 0.000 0.992 210 I CA -0.120 61.039 61.300 -0.235 0.000 1.154 210 I CB 1.311 39.175 38.000 -0.225 0.000 1.315 210 I HN 0.754 nan 8.210 nan 0.000 0.448 211 H N 2.846 121.927 119.070 0.018 0.000 2.670 211 H HA 0.608 5.168 4.556 0.007 0.000 0.361 211 H C 0.609 175.958 175.328 0.034 0.000 1.169 211 H CA -0.061 56.003 56.048 0.027 0.000 1.198 211 H CB 1.994 31.767 29.762 0.018 0.000 1.700 211 H HN 0.789 nan 8.280 nan 0.000 0.542 212 G N 1.405 110.301 108.800 0.160 0.000 2.165 212 G HA2 -0.251 3.715 3.960 0.009 0.000 0.226 212 G HA3 -0.251 3.715 3.960 0.009 0.000 0.226 212 G C -0.241 174.702 174.900 0.072 0.000 1.035 212 G CA -0.359 44.794 45.100 0.087 0.000 0.744 212 G HN 0.471 nan 8.290 nan 0.000 0.501 213 K N -0.608 119.828 120.400 0.060 0.000 2.219 213 K HA 0.483 4.809 4.320 0.009 0.000 0.258 213 K C 1.417 178.004 176.600 -0.020 0.000 1.008 213 K CA -0.188 56.136 56.287 0.062 0.000 0.928 213 K CB 1.594 34.140 32.500 0.078 0.000 0.983 213 K HN 0.004 nan 8.250 nan 0.000 0.484 214 V N 0.857 120.768 119.914 -0.004 0.000 2.374 214 V HA 0.005 4.130 4.120 0.009 0.000 0.241 214 V C 1.043 177.144 176.094 0.011 0.000 1.034 214 V CA 1.492 63.787 62.300 -0.008 0.000 1.037 214 V CB 0.134 31.963 31.823 0.010 0.000 0.682 214 V HN 0.939 nan 8.190 nan 0.000 0.463 215 G N -1.729 107.083 108.800 0.020 0.000 2.537 215 G HA2 0.527 4.493 3.960 0.009 0.000 0.323 215 G HA3 0.527 4.493 3.960 0.009 0.000 0.323 215 G C -0.114 174.826 174.900 0.067 0.000 1.207 215 G CA -0.661 44.496 45.100 0.095 0.000 0.976 215 G HN 0.291 nan 8.290 nan 0.000 0.487 216 L N -1.180 120.132 121.223 0.149 0.000 4.001 216 L HA -0.242 4.103 4.340 0.009 0.000 0.413 216 L C 2.221 179.116 176.870 0.042 0.000 1.185 216 L CA 0.195 55.102 54.840 0.112 0.000 0.963 216 L CB -0.945 41.176 42.059 0.104 0.000 1.976 216 L HN 0.661 nan 8.230 nan 0.000 0.939 217 R N 0.485 120.923 120.500 -0.103 0.000 2.159 217 R HA -0.107 4.239 4.340 0.009 0.000 0.237 217 R C 2.180 178.403 176.300 -0.128 0.000 1.131 217 R CA 1.443 57.361 56.100 -0.302 0.000 0.982 217 R CB -0.156 29.557 30.300 -0.978 0.000 0.868 217 R HN 0.598 nan 8.270 nan 0.000 0.453 218 A N 0.171 122.978 122.820 -0.022 0.000 2.209 218 A HA -0.010 4.315 4.320 0.009 0.000 0.212 218 A C 0.874 178.460 177.584 0.002 0.000 1.158 218 A CA 0.487 52.489 52.037 -0.059 0.000 0.742 218 A CB 0.134 18.936 19.000 -0.330 0.000 0.790 218 A HN 0.144 nan 8.150 nan 0.000 0.472 219 S N 0.021 115.749 115.700 0.045 0.000 2.530 219 S HA 0.504 4.979 4.470 0.009 0.000 0.322 219 S C -0.435 174.239 174.600 0.124 0.000 1.085 219 S CA -0.747 57.526 58.200 0.121 0.000 1.096 219 S CB 0.199 63.483 63.200 0.139 0.000 0.988 219 S HN 0.368 nan 8.310 nan 0.000 0.466 220 I N 5.890 126.545 120.570 0.142 0.000 2.668 220 I HA 0.289 4.465 4.170 0.009 0.000 0.285 220 I C -0.154 176.023 176.117 0.100 0.000 1.168 220 I CA 1.360 62.721 61.300 0.102 0.000 1.424 220 I CB 0.503 38.570 38.000 0.111 0.000 1.377 220 I HN 0.662 nan 8.210 nan 0.000 0.560 221 T N 5.841 120.430 114.554 0.059 0.000 2.912 221 T HA 0.826 5.182 4.350 0.009 0.000 0.299 221 T C -0.069 174.635 174.700 0.007 0.000 1.052 221 T CA -0.287 61.868 62.100 0.092 0.000 0.996 221 T CB 1.625 70.608 68.868 0.193 0.000 1.070 221 T HN 0.879 nan 8.240 nan 0.000 0.465 222 G N 1.134 109.941 108.800 0.012 0.000 2.947 222 G HA2 0.713 4.679 3.960 0.009 0.000 0.293 222 G HA3 0.713 4.679 3.960 0.009 0.000 0.293 222 G C -1.491 173.373 174.900 -0.060 0.000 1.243 222 G CA -0.798 44.270 45.100 -0.053 0.000 0.802 222 G HN 0.625 nan 8.290 nan 0.000 0.560 223 E N -1.155 119.008 120.200 -0.062 0.000 2.259 223 E HA 0.629 4.985 4.350 0.009 0.000 0.257 223 E C -0.980 175.635 176.600 0.025 0.000 0.998 223 E CA -0.654 55.715 56.400 -0.052 0.000 0.866 223 E CB 2.566 32.209 29.700 -0.094 0.000 1.220 223 E HN 0.236 nan 8.360 nan 0.000 0.415 224 I N 1.452 122.038 120.570 0.026 0.000 2.410 224 I HA 0.234 4.409 4.170 0.009 0.000 0.286 224 I C -1.100 174.993 176.117 -0.040 0.000 1.009 224 I CA -0.794 60.522 61.300 0.027 0.000 1.111 224 I CB 1.661 39.706 38.000 0.075 0.000 1.262 224 I HN 0.122 nan 8.210 nan 0.000 0.443 225 V N 7.670 127.542 119.914 -0.070 0.000 2.384 225 V HA 0.464 4.589 4.120 0.009 0.000 0.287 225 V C -0.146 175.884 176.094 -0.106 0.000 1.020 225 V CA -0.475 61.779 62.300 -0.077 0.000 0.850 225 V CB 1.665 33.449 31.823 -0.065 0.000 0.987 225 V HN 0.471 nan 8.190 nan 0.000 0.436 226 L N 4.393 125.554 121.223 -0.103 0.000 2.349 226 L HA 0.623 4.969 4.340 0.009 0.000 0.278 226 L C -0.884 175.929 176.870 -0.095 0.000 0.996 226 L CA -0.323 54.443 54.840 -0.122 0.000 0.825 226 L CB 1.965 43.936 42.059 -0.146 0.000 1.243 226 L HN 0.558 nan 8.230 nan 0.000 0.412 227 D N 4.655 125.003 120.400 -0.087 0.000 2.375 227 D HA 0.159 4.805 4.640 0.009 0.000 0.259 227 D C -0.104 176.161 176.300 -0.058 0.000 1.235 227 D CA -0.175 53.786 54.000 -0.065 0.000 0.924 227 D CB 0.666 41.433 40.800 -0.055 0.000 1.143 227 D HN 0.474 nan 8.370 nan 0.000 0.529 228 E N 0.578 120.744 120.200 -0.056 0.000 2.389 228 E HA -0.202 4.154 4.350 0.009 0.000 0.243 228 E C -0.448 176.136 176.600 -0.026 0.000 1.154 228 E CA 0.766 57.144 56.400 -0.037 0.000 0.723 228 E CB -2.055 27.633 29.700 -0.021 0.000 1.261 228 E HN 0.536 nan 8.360 nan 0.000 0.390 229 A N 0.807 123.588 122.820 -0.066 0.000 2.451 229 A HA 0.345 4.670 4.320 0.009 0.000 0.266 229 A C 0.007 177.578 177.584 -0.022 0.000 1.119 229 A CA -0.210 51.788 52.037 -0.064 0.000 0.786 229 A CB -0.050 18.863 19.000 -0.144 0.000 1.061 229 A HN 0.268 nan 8.150 nan 0.000 0.503 230 F N 4.199 124.094 119.950 -0.091 0.000 2.467 230 F HA 0.468 5.000 4.527 0.009 0.000 0.362 230 F C -0.253 175.522 175.800 -0.041 0.000 1.090 230 F CA -0.157 57.807 58.000 -0.060 0.000 1.202 230 F CB 0.856 39.829 39.000 -0.046 0.000 1.113 230 F HN 0.286 nan 8.300 nan 0.000 0.541 231 V N 8.675 128.083 119.914 -0.843 0.000 2.444 231 V HA 0.375 4.500 4.120 0.009 0.000 0.294 231 V C -2.086 173.416 176.094 -0.988 0.000 1.022 231 V CA -1.853 60.052 62.300 -0.659 0.000 0.850 231 V CB 1.368 33.045 31.823 -0.243 0.000 0.992 231 V HN 0.650 nan 8.190 nan 0.000 0.426 232 P HA 0.142 nan 4.420 nan 0.000 0.272 232 P C 0.628 177.893 177.300 -0.058 0.000 1.230 232 P CA -0.058 62.822 63.100 -0.368 0.000 0.788 232 P CB 1.498 33.197 31.700 -0.002 0.000 0.949 233 E N 1.724 121.938 120.200 0.023 0.000 2.114 233 E HA -0.254 4.101 4.350 0.009 0.000 0.199 233 E C 1.609 178.274 176.600 0.109 0.000 1.008 233 E CA 1.866 58.335 56.400 0.116 0.000 0.810 233 E CB -0.497 29.236 29.700 0.055 0.000 0.739 233 E HN 0.521 nan 8.360 nan 0.000 0.456 234 E N -0.530 119.713 120.200 0.071 0.000 2.515 234 E HA -0.132 4.223 4.350 0.009 0.000 0.201 234 E C 0.495 177.133 176.600 0.063 0.000 1.071 234 E CA 0.752 57.190 56.400 0.063 0.000 0.880 234 E CB -0.158 29.584 29.700 0.070 0.000 0.828 234 E HN 0.209 nan 8.360 nan 0.000 0.540 235 N N 0.501 119.233 118.700 0.054 0.000 2.184 235 N HA 0.229 4.975 4.740 0.009 0.000 0.206 235 N C -0.040 175.445 175.510 -0.042 0.000 1.151 235 N CA -0.189 52.879 53.050 0.031 0.000 0.878 235 N CB 0.816 39.321 38.487 0.030 0.000 1.014 235 N HN 0.227 nan 8.380 nan 0.000 0.512 236 I N 1.429 121.955 120.570 -0.075 0.000 2.474 236 I HA 0.104 4.280 4.170 0.009 0.000 0.287 236 I C -0.328 175.590 176.117 -0.332 0.000 1.048 236 I CA -0.551 60.534 61.300 -0.358 0.000 1.383 236 I CB 0.798 38.502 38.000 -0.493 0.000 1.412 236 I HN -0.128 nan 8.210 nan 0.000 0.531 237 L N 9.803 130.760 121.223 -0.442 0.000 2.433 237 L HA 0.175 4.520 4.340 0.009 0.000 0.275 237 L C -1.382 175.313 176.870 -0.291 0.000 1.128 237 L CA -1.181 53.491 54.840 -0.280 0.000 0.875 237 L CB 0.276 42.194 42.059 -0.235 0.000 1.171 237 L HN 0.548 nan 8.230 nan 0.000 0.463 238 P HA -0.091 nan 4.420 nan 0.000 0.221 238 P C 0.613 177.662 177.300 -0.418 0.000 1.155 238 P CA 1.195 64.027 63.100 -0.446 0.000 0.812 238 P CB 0.175 31.470 31.700 -0.675 0.000 0.801 239 H N -1.220 117.847 119.070 -0.004 0.000 2.550 239 H HA 0.471 5.032 4.556 0.009 0.000 0.304 239 H C -0.142 175.178 175.328 -0.012 0.000 1.086 239 H CA -0.440 55.625 56.048 0.028 0.000 1.089 239 H CB 0.203 30.014 29.762 0.082 0.000 1.528 239 H HN -0.102 nan 8.280 nan 0.000 0.539 240 V N 1.166 121.025 119.914 -0.093 0.000 3.098 240 V HA 0.367 4.493 4.120 0.009 0.000 0.294 240 V C -1.753 174.213 176.094 -0.212 0.000 1.351 240 V CA -0.885 61.261 62.300 -0.257 0.000 0.999 240 V CB 2.407 33.751 31.823 -0.798 0.000 1.104 240 V HN 0.518 nan 8.190 nan 0.000 0.438 241 K N 3.805 124.094 120.400 -0.185 0.000 2.533 241 K HA 0.937 5.263 4.320 0.009 0.000 0.272 241 K C 0.138 176.641 176.600 -0.162 0.000 0.985 241 K CA -0.081 56.117 56.287 -0.148 0.000 0.876 241 K CB 1.873 34.306 32.500 -0.113 0.000 1.452 241 K HN 2.045 nan 8.250 nan 0.000 0.439 242 G N 0.504 109.214 108.800 -0.151 0.000 2.553 242 G HA2 -0.267 3.699 3.960 0.009 0.000 0.242 242 G HA3 -0.267 3.699 3.960 0.009 0.000 0.242 242 G C 0.089 174.800 174.900 -0.316 0.000 1.277 242 G CA -0.001 44.982 45.100 -0.194 0.000 0.910 242 G HN 0.417 nan 8.290 nan 0.000 0.576 243 L N 0.872 121.853 121.223 -0.404 0.000 2.093 243 L HA 0.115 4.461 4.340 0.009 0.000 0.208 243 L C 2.998 179.500 176.870 -0.614 0.000 1.085 243 L CA 2.503 56.908 54.840 -0.726 0.000 0.755 243 L CB -1.145 40.352 42.059 -0.937 0.000 0.904 243 L HN 0.703 nan 8.230 nan 0.000 0.435 244 R N -0.432 119.866 120.500 -0.336 0.000 2.154 244 R HA -0.194 4.151 4.340 0.009 0.000 0.248 244 R C 2.118 178.304 176.300 -0.190 0.000 1.155 244 R CA 1.494 57.501 56.100 -0.156 0.000 0.979 244 R CB -0.482 29.755 30.300 -0.104 0.000 0.869 244 R HN 0.444 nan 8.270 nan 0.000 0.452 245 G N 0.855 109.380 108.800 -0.457 0.000 2.575 245 G HA2 -0.197 3.769 3.960 0.009 0.000 0.215 245 G HA3 -0.197 3.769 3.960 0.009 0.000 0.215 245 G C -1.024 173.513 174.900 -0.605 0.000 1.262 245 G CA 0.703 45.418 45.100 -0.642 0.000 0.807 245 G HN 0.344 nan 8.290 nan 0.000 0.567 246 P HA -0.044 nan 4.420 nan 0.000 0.217 246 P C 1.596 178.960 177.300 0.107 0.000 1.150 246 P CA 0.746 63.503 63.100 -0.572 0.000 0.832 246 P CB -0.094 31.252 31.700 -0.590 0.000 0.787 247 F N -0.001 119.868 119.950 -0.135 0.000 2.134 247 F HA -0.128 4.405 4.527 0.009 0.000 0.299 247 F C 2.332 178.163 175.800 0.051 0.000 1.097 247 F CA 1.152 59.139 58.000 -0.021 0.000 1.264 247 F CB -2.019 36.969 39.000 -0.020 0.000 1.001 247 F HN -0.061 nan 8.300 nan 0.000 0.479 248 T N -0.478 114.263 114.554 0.311 0.000 2.720 248 T HA -0.212 4.144 4.350 0.009 0.000 0.268 248 T C 2.232 177.063 174.700 0.219 0.000 1.037 248 T CA 1.703 63.977 62.100 0.290 0.000 1.144 248 T CB -0.835 68.308 68.868 0.458 0.000 0.864 248 T HN 0.306 nan 8.240 nan 0.000 0.444 249 C N 1.093 120.534 119.300 0.235 0.000 2.432 249 C HA 0.072 4.537 4.460 0.009 0.000 0.277 249 C C 2.713 177.707 174.990 0.008 0.000 1.249 249 C CA 0.268 59.353 59.018 0.112 0.000 1.725 249 C CB -1.468 26.338 27.740 0.109 0.000 2.028 249 C HN 0.506 nan 8.230 nan 0.000 0.477 250 L N 1.255 122.502 121.223 0.041 0.000 2.093 250 L HA -0.132 4.213 4.340 0.009 0.000 0.208 250 L C 2.421 179.314 176.870 0.038 0.000 1.085 250 L CA 1.701 56.547 54.840 0.010 0.000 0.755 250 L CB -0.844 41.236 42.059 0.034 0.000 0.904 250 L HN 0.429 nan 8.230 nan 0.000 0.435 251 N N -0.382 118.354 118.700 0.060 0.000 2.120 251 N HA -0.211 4.534 4.740 0.009 0.000 0.188 251 N C 2.065 177.643 175.510 0.114 0.000 1.024 251 N CA 1.530 54.619 53.050 0.065 0.000 0.852 251 N CB -0.011 38.510 38.487 0.058 0.000 1.003 251 N HN 0.145 nan 8.380 nan 0.000 0.424 252 S N -0.789 114.998 115.700 0.144 0.000 2.368 252 S HA -0.006 4.469 4.470 0.009 0.000 0.224 252 S C 1.973 176.769 174.600 0.326 0.000 1.029 252 S CA 1.246 59.599 58.200 0.255 0.000 0.988 252 S CB -0.637 62.705 63.200 0.237 0.000 0.838 252 S HN 0.474 nan 8.310 nan 0.000 0.462 253 A N 1.756 124.684 122.820 0.181 0.000 1.877 253 A HA -0.056 4.270 4.320 0.009 0.000 0.216 253 A C 2.236 179.891 177.584 0.120 0.000 1.186 253 A CA 1.490 53.611 52.037 0.139 0.000 0.620 253 A CB -0.702 18.291 19.000 -0.011 0.000 0.822 253 A HN 0.625 nan 8.150 nan 0.000 0.443 254 R N -2.063 118.496 120.500 0.099 0.000 2.103 254 R HA -0.203 4.143 4.340 0.009 0.000 0.242 254 R C 2.160 178.506 176.300 0.075 0.000 1.142 254 R CA 1.877 58.019 56.100 0.071 0.000 0.960 254 R CB -0.602 29.727 30.300 0.048 0.000 0.858 254 R HN 0.753 nan 8.270 nan 0.000 0.439 255 Y N 0.684 121.006 120.300 0.036 0.000 2.145 255 Y HA -0.171 4.385 4.550 0.010 0.000 0.286 255 Y C 2.301 178.246 175.900 0.074 0.000 1.145 255 Y CA 1.717 59.853 58.100 0.060 0.000 1.148 255 Y CB -0.588 37.921 38.460 0.083 0.000 0.981 255 Y HN 0.053 nan 8.280 nan 0.000 0.507 256 G N 0.608 109.347 108.800 -0.102 0.000 2.421 256 G HA2 -0.261 3.705 3.960 0.009 0.000 0.216 256 G HA3 -0.261 3.705 3.960 0.009 0.000 0.216 256 G C 1.659 176.453 174.900 -0.177 0.000 1.171 256 G CA 1.380 46.234 45.100 -0.409 0.000 0.775 256 G HN 0.516 nan 8.290 nan 0.000 0.543 257 I N 1.537 122.079 120.570 -0.046 0.000 2.264 257 I HA -0.191 3.985 4.170 0.009 0.000 0.248 257 I C 3.280 179.372 176.117 -0.042 0.000 1.111 257 I CA 0.926 62.233 61.300 0.011 0.000 1.382 257 I CB -0.225 37.834 38.000 0.097 0.000 1.060 257 I HN 0.237 nan 8.210 nan 0.000 0.418 258 A N 0.103 122.859 122.820 -0.107 0.000 1.940 258 A HA -0.240 4.085 4.320 0.009 0.000 0.219 258 A C 2.005 179.452 177.584 -0.228 0.000 1.176 258 A CA 1.577 53.504 52.037 -0.184 0.000 0.631 258 A CB -1.019 17.840 19.000 -0.234 0.000 0.814 258 A HN 0.558 nan 8.150 nan 0.000 0.446 259 W N -0.482 120.616 121.300 -0.335 0.000 2.443 259 W HA 0.112 4.777 4.660 0.008 0.000 0.296 259 W C 2.578 178.987 176.519 -0.183 0.000 1.202 259 W CA 1.126 58.302 57.345 -0.282 0.000 1.312 259 W CB -0.561 28.664 29.460 -0.391 0.000 1.120 259 W HN 0.356 nan 8.180 nan 0.000 0.536 260 G N 0.073 108.919 108.800 0.078 0.000 2.421 260 G HA2 -0.242 3.723 3.960 0.009 0.000 0.216 260 G HA3 -0.242 3.723 3.960 0.009 0.000 0.216 260 G C 1.635 176.547 174.900 0.019 0.000 1.171 260 G CA 1.390 46.521 45.100 0.052 0.000 0.775 260 G HN 0.290 nan 8.290 nan 0.000 0.543 261 A N 0.477 123.288 122.820 -0.015 0.000 1.978 261 A HA 0.078 4.403 4.320 0.009 0.000 0.220 261 A C 2.409 179.948 177.584 -0.074 0.000 1.170 261 A CA 1.250 53.259 52.037 -0.047 0.000 0.636 261 A CB -0.343 18.617 19.000 -0.066 0.000 0.810 261 A HN 0.377 nan 8.150 nan 0.000 0.448 262 L N -0.930 120.247 121.223 -0.076 0.000 2.141 262 L HA -0.078 4.268 4.340 0.009 0.000 0.209 262 L C 2.795 179.635 176.870 -0.049 0.000 1.094 262 L CA 0.816 55.605 54.840 -0.084 0.000 0.763 262 L CB -0.755 41.229 42.059 -0.125 0.000 0.908 262 L HN 0.484 nan 8.230 nan 0.000 0.437 263 G N -0.071 108.722 108.800 -0.012 0.000 2.459 263 G HA2 -0.278 3.687 3.960 0.009 0.000 0.217 263 G HA3 -0.278 3.687 3.960 0.009 0.000 0.217 263 G C 1.791 176.629 174.900 -0.103 0.000 1.183 263 G CA 0.852 45.947 45.100 -0.008 0.000 0.776 263 G HN 0.451 nan 8.290 nan 0.000 0.552 264 A N 1.203 123.932 122.820 -0.152 0.000 1.908 264 A HA 0.211 4.537 4.320 0.009 0.000 0.218 264 A C 2.844 180.193 177.584 -0.392 0.000 1.181 264 A CA 2.425 54.219 52.037 -0.405 0.000 0.627 264 A CB -0.891 17.948 19.000 -0.268 0.000 0.818 264 A HN 0.869 nan 8.150 nan 0.000 0.445 265 A N -0.109 122.590 122.820 -0.202 0.000 1.883 265 A HA -0.233 4.092 4.320 0.009 0.000 0.217 265 A C 1.922 179.459 177.584 -0.078 0.000 1.186 265 A CA 1.819 53.778 52.037 -0.130 0.000 0.624 265 A CB -0.664 18.276 19.000 -0.100 0.000 0.822 265 A HN 0.653 nan 8.150 nan 0.000 0.444 266 E N -0.106 120.045 120.200 -0.083 0.000 2.058 266 E HA -0.147 4.208 4.350 0.009 0.000 0.194 266 E C 2.361 178.735 176.600 -0.376 0.000 0.997 266 E CA 1.391 57.704 56.400 -0.145 0.000 0.801 266 E CB -0.225 29.373 29.700 -0.170 0.000 0.746 266 E HN 0.603 nan 8.360 nan 0.000 0.450 267 S N 0.581 116.124 115.700 -0.263 0.000 2.365 267 S HA -0.213 4.263 4.470 0.009 0.000 0.225 267 S C 2.234 176.788 174.600 -0.077 0.000 1.039 267 S CA 1.224 59.330 58.200 -0.158 0.000 1.033 267 S CB -0.442 62.686 63.200 -0.121 0.000 0.887 267 S HN 0.400 nan 8.310 nan 0.000 0.447 268 C N 0.207 119.439 119.300 -0.112 0.000 2.432 268 C HA -0.090 4.375 4.460 0.009 0.000 0.277 268 C C 2.303 177.362 174.990 0.115 0.000 1.249 268 C CA 0.297 59.317 59.018 0.004 0.000 1.725 268 C CB -1.499 26.225 27.740 -0.027 0.000 2.028 268 C HN 0.868 nan 8.230 nan 0.000 0.477 269 W N 1.550 122.806 121.300 -0.074 0.000 2.355 269 W HA -0.134 4.530 4.660 0.007 0.000 0.309 269 W C 2.423 179.035 176.519 0.156 0.000 1.206 269 W CA 1.827 59.183 57.345 0.018 0.000 1.284 269 W CB -1.262 28.205 29.460 0.012 0.000 1.145 269 W HN 0.533 nan 8.180 nan 0.000 0.502 270 H N -0.596 118.436 119.070 -0.063 0.000 2.352 270 H HA -0.178 4.384 4.556 0.010 0.000 0.299 270 H C 2.304 177.598 175.328 -0.058 0.000 1.097 270 H CA 1.784 57.722 56.048 -0.183 0.000 1.311 270 H CB -0.254 29.442 29.762 -0.110 0.000 1.377 270 H HN 0.165 nan 8.280 nan 0.000 0.504 271 I N 0.657 121.305 120.570 0.130 0.000 2.252 271 I HA -0.235 3.941 4.170 0.009 0.000 0.245 271 I C 2.791 178.970 176.117 0.104 0.000 1.102 271 I CA 0.773 62.133 61.300 0.100 0.000 1.385 271 I CB -0.228 37.819 38.000 0.079 0.000 1.064 271 I HN 0.293 nan 8.210 nan 0.000 0.414 272 A N 0.739 123.623 122.820 0.105 0.000 1.902 272 A HA -0.249 4.076 4.320 0.009 0.000 0.217 272 A C 2.442 180.108 177.584 0.137 0.000 1.181 272 A CA 1.778 53.884 52.037 0.115 0.000 0.623 272 A CB -0.649 18.427 19.000 0.127 0.000 0.818 272 A HN 0.357 nan 8.150 nan 0.000 0.443 273 R N -0.881 119.669 120.500 0.085 0.000 2.073 273 R HA -0.223 4.123 4.340 0.009 0.000 0.234 273 R C 2.366 178.641 176.300 -0.042 0.000 1.134 273 R CA 2.001 58.088 56.100 -0.022 0.000 0.952 273 R CB -0.286 29.884 30.300 -0.217 0.000 0.850 273 R HN 0.515 nan 8.270 nan 0.000 0.433 274 Q N -0.396 119.395 119.800 -0.014 0.000 2.119 274 Q HA -0.207 4.138 4.340 0.009 0.000 0.201 274 Q C 1.737 177.756 176.000 0.030 0.000 0.972 274 Q CA 1.855 57.651 55.803 -0.011 0.000 0.847 274 Q CB -0.507 28.236 28.738 0.010 0.000 0.903 274 Q HN 0.539 nan 8.270 nan 0.000 0.433 275 Y N -0.082 120.199 120.300 -0.032 0.000 2.181 275 Y HA -0.190 4.367 4.550 0.013 0.000 0.288 275 Y C 1.882 177.762 175.900 -0.034 0.000 1.146 275 Y CA 1.861 59.946 58.100 -0.026 0.000 1.164 275 Y CB -0.086 38.367 38.460 -0.012 0.000 0.982 275 Y HN 0.121 nan 8.280 nan 0.000 0.515 276 V N -2.826 117.139 119.914 0.085 0.000 2.871 276 V HA -0.112 4.013 4.120 0.009 0.000 0.256 276 V C 2.000 178.041 176.094 -0.089 0.000 1.082 276 V CA 0.999 63.293 62.300 -0.009 0.000 1.105 276 V CB -0.783 31.082 31.823 0.070 0.000 0.713 276 V HN 0.308 nan 8.190 nan 0.000 0.473 277 L N 1.306 122.477 121.223 -0.088 0.000 2.056 277 L HA -0.030 4.315 4.340 0.009 0.000 0.207 277 L C 2.284 179.080 176.870 -0.124 0.000 1.078 277 L CA 1.999 56.777 54.840 -0.103 0.000 0.749 277 L CB -1.252 40.743 42.059 -0.106 0.000 0.901 277 L HN 0.344 nan 8.230 nan 0.000 0.433 278 D N -0.503 119.803 120.400 -0.156 0.000 2.149 278 D HA -0.023 4.622 4.640 0.009 0.000 0.201 278 D C 1.419 177.583 176.300 -0.227 0.000 0.972 278 D CA 0.931 54.827 54.000 -0.173 0.000 0.835 278 D CB -0.136 40.564 40.800 -0.167 0.000 0.966 278 D HN 0.224 nan 8.370 nan 0.000 0.476 279 R N 0.759 121.050 120.500 -0.347 0.000 2.459 279 R HA 0.536 4.881 4.340 0.009 0.000 0.281 279 R C -0.002 176.163 176.300 -0.225 0.000 1.050 279 R CA -0.460 55.429 56.100 -0.353 0.000 1.055 279 R CB 0.173 30.118 30.300 -0.591 0.000 1.045 279 R HN -0.118 nan 8.270 nan 0.000 0.495 280 K N 0.492 120.781 120.400 -0.184 0.000 2.267 280 K HA 0.548 4.873 4.320 0.009 0.000 0.246 280 K C -1.011 175.478 176.600 -0.186 0.000 0.954 280 K CA -0.608 55.591 56.287 -0.146 0.000 0.824 280 K CB 2.087 34.522 32.500 -0.109 0.000 1.167 280 K HN 0.733 nan 8.250 nan 0.000 0.431 281 Q N 1.588 121.261 119.800 -0.212 0.000 2.320 281 Q HA 0.366 4.711 4.340 0.009 0.000 0.272 281 Q C -1.105 174.694 176.000 -0.335 0.000 1.023 281 Q CA -0.488 55.061 55.803 -0.424 0.000 0.855 281 Q CB 0.713 29.098 28.738 -0.589 0.000 1.367 281 Q HN 0.613 nan 8.270 nan 0.000 0.406 282 F N 2.284 122.226 119.950 -0.013 0.000 3.100 282 F HA -0.287 4.246 4.527 0.009 0.000 0.283 282 F C 1.146 176.937 175.800 -0.014 0.000 0.900 282 F CA 0.826 58.819 58.000 -0.011 0.000 1.010 282 F CB -1.653 37.342 39.000 -0.008 0.000 1.029 282 F HN 0.953 nan 8.300 nan 0.000 0.637 283 G N -0.791 108.053 108.800 0.073 0.000 2.176 283 G HA2 0.085 4.051 3.960 0.009 0.000 0.252 283 G HA3 0.085 4.051 3.960 0.009 0.000 0.252 283 G C -0.094 174.820 174.900 0.024 0.000 1.024 283 G CA 0.490 45.612 45.100 0.037 0.000 0.755 283 G HN 1.409 nan 8.290 nan 0.000 0.507 284 R N -0.784 119.723 120.500 0.011 0.000 2.740 284 R HA 0.910 5.256 4.340 0.009 0.000 0.273 284 R C -3.168 173.111 176.300 -0.035 0.000 0.998 284 R CA -0.967 55.134 56.100 0.002 0.000 0.900 284 R CB 0.711 31.034 30.300 0.037 0.000 1.223 284 R HN 0.178 nan 8.270 nan 0.000 0.466 285 P HA 0.173 nan 4.420 nan 0.000 0.269 285 P C 0.507 177.772 177.300 -0.059 0.000 1.215 285 P CA -0.635 62.423 63.100 -0.070 0.000 0.780 285 P CB 0.591 32.250 31.700 -0.069 0.000 0.898 286 L N 2.152 123.326 121.223 -0.082 0.000 2.129 286 L HA -0.219 4.126 4.340 0.009 0.000 0.212 286 L C 2.395 179.256 176.870 -0.014 0.000 1.087 286 L CA 2.164 56.975 54.840 -0.048 0.000 0.757 286 L CB -2.065 39.968 42.059 -0.042 0.000 0.896 286 L HN 0.462 nan 8.230 nan 0.000 0.434 287 A N -0.996 121.808 122.820 -0.027 0.000 2.131 287 A HA -0.080 4.246 4.320 0.009 0.000 0.220 287 A C 2.381 179.960 177.584 -0.008 0.000 1.158 287 A CA 1.363 53.389 52.037 -0.018 0.000 0.665 287 A CB -0.671 18.303 19.000 -0.044 0.000 0.795 287 A HN 0.387 nan 8.150 nan 0.000 0.460 288 A N -0.168 122.649 122.820 -0.004 0.000 2.168 288 A HA 0.017 4.342 4.320 0.009 0.000 0.215 288 A C 0.804 178.402 177.584 0.024 0.000 1.152 288 A CA 0.042 52.084 52.037 0.009 0.000 0.716 288 A CB -0.283 18.726 19.000 0.014 0.000 0.794 288 A HN 0.501 nan 8.150 nan 0.000 0.465 289 N N 0.622 119.340 118.700 0.030 0.000 2.497 289 N HA 0.104 4.849 4.740 0.009 0.000 0.271 289 N C 0.672 176.201 175.510 0.032 0.000 1.142 289 N CA 0.025 53.100 53.050 0.042 0.000 0.965 289 N CB 0.890 39.407 38.487 0.051 0.000 1.077 289 N HN 0.441 nan 8.380 nan 0.000 0.462 290 Q N 1.560 121.377 119.800 0.029 0.000 2.135 290 Q HA -0.099 4.247 4.340 0.009 0.000 0.204 290 Q C 1.702 177.716 176.000 0.023 0.000 0.981 290 Q CA 1.162 56.979 55.803 0.022 0.000 0.856 290 Q CB 0.028 28.776 28.738 0.017 0.000 0.902 290 Q HN 0.585 nan 8.270 nan 0.000 0.425 291 L N 0.190 121.429 121.223 0.026 0.000 2.042 291 L HA -0.222 4.124 4.340 0.009 0.000 0.210 291 L C 2.238 179.124 176.870 0.027 0.000 1.076 291 L CA 0.691 55.546 54.840 0.025 0.000 0.749 291 L CB -0.447 41.629 42.059 0.029 0.000 0.893 291 L HN 0.287 nan 8.230 nan 0.000 0.432 292 I N -0.301 120.289 120.570 0.034 0.000 2.252 292 I HA -0.252 3.923 4.170 0.009 0.000 0.245 292 I C 2.608 178.749 176.117 0.040 0.000 1.102 292 I CA 1.459 62.783 61.300 0.040 0.000 1.385 292 I CB -1.112 36.914 38.000 0.044 0.000 1.064 292 I HN 0.397 nan 8.210 nan 0.000 0.414 293 Q N 0.267 120.086 119.800 0.032 0.000 2.119 293 Q HA -0.251 4.094 4.340 0.009 0.000 0.201 293 Q C 2.163 178.182 176.000 0.032 0.000 0.972 293 Q CA 1.478 57.301 55.803 0.034 0.000 0.847 293 Q CB -0.128 28.625 28.738 0.025 0.000 0.903 293 Q HN 0.295 nan 8.270 nan 0.000 0.433 294 K N 1.684 122.097 120.400 0.021 0.000 2.032 294 K HA -0.189 4.136 4.320 0.009 0.000 0.209 294 K C 1.698 178.301 176.600 0.004 0.000 1.048 294 K CA 1.710 58.004 56.287 0.010 0.000 0.927 294 K CB -0.029 32.474 32.500 0.006 0.000 0.712 294 K HN 0.004 nan 8.250 nan 0.000 0.441 295 K N 0.178 120.584 120.400 0.011 0.000 2.057 295 K HA -0.084 4.242 4.320 0.009 0.000 0.207 295 K C 2.133 178.735 176.600 0.004 0.000 1.049 295 K CA 1.694 57.983 56.287 0.004 0.000 0.931 295 K CB -0.252 32.259 32.500 0.017 0.000 0.714 295 K HN 0.144 nan 8.250 nan 0.000 0.440 296 L N 0.444 121.697 121.223 0.050 0.000 2.083 296 L HA -0.168 4.178 4.340 0.009 0.000 0.209 296 L C 2.599 179.483 176.870 0.023 0.000 1.083 296 L CA 0.993 55.895 54.840 0.103 0.000 0.752 296 L CB -0.632 41.533 42.059 0.177 0.000 0.899 296 L HN 0.219 nan 8.230 nan 0.000 0.433 297 A N -0.063 122.768 122.820 0.019 0.000 1.902 297 A HA -0.226 4.100 4.320 0.009 0.000 0.217 297 A C 1.946 179.480 177.584 -0.082 0.000 1.181 297 A CA 1.952 53.987 52.037 -0.003 0.000 0.623 297 A CB -0.447 18.559 19.000 0.011 0.000 0.818 297 A HN 0.346 nan 8.150 nan 0.000 0.443 298 D N -0.389 119.957 120.400 -0.090 0.000 2.117 298 D HA -0.112 4.534 4.640 0.009 0.000 0.198 298 D C 2.088 178.263 176.300 -0.209 0.000 0.982 298 D CA 1.389 55.318 54.000 -0.118 0.000 0.828 298 D CB -0.358 40.392 40.800 -0.084 0.000 0.967 298 D HN 0.499 nan 8.370 nan 0.000 0.464 299 M N 0.393 119.826 119.600 -0.278 0.000 2.080 299 M HA -0.208 4.278 4.480 0.009 0.000 0.260 299 M C 2.385 178.208 176.300 -0.795 0.000 1.068 299 M CA 1.423 56.437 55.300 -0.478 0.000 1.109 299 M CB -0.359 31.929 32.600 -0.521 0.000 1.342 299 M HN -0.029 nan 8.290 nan 0.000 0.405 300 Q N -0.099 119.132 119.800 -0.947 0.000 2.096 300 Q HA -0.170 4.175 4.340 0.009 0.000 0.204 300 Q C 1.752 177.497 176.000 -0.425 0.000 0.982 300 Q CA 2.151 57.384 55.803 -0.950 0.000 0.850 300 Q CB -0.010 28.533 28.738 -0.325 0.000 0.901 300 Q HN 0.467 nan 8.270 nan 0.000 0.422 301 T N 1.177 115.577 114.554 -0.257 0.000 2.737 301 T HA -0.118 4.238 4.350 0.009 0.000 0.265 301 T C 1.515 176.117 174.700 -0.162 0.000 1.038 301 T CA 1.333 63.347 62.100 -0.143 0.000 1.144 301 T CB -0.141 68.669 68.868 -0.097 0.000 0.866 301 T HN 0.322 nan 8.240 nan 0.000 0.434 302 E N 0.809 120.892 120.200 -0.196 0.000 2.106 302 E HA 0.018 4.374 4.350 0.009 0.000 0.192 302 E C 2.253 178.745 176.600 -0.180 0.000 0.984 302 E CA 0.670 56.969 56.400 -0.168 0.000 0.806 302 E CB -0.361 29.245 29.700 -0.157 0.000 0.750 302 E HN 0.511 nan 8.360 nan 0.000 0.458 303 I N 0.942 121.372 120.570 -0.234 0.000 2.202 303 I HA -0.223 3.952 4.170 0.009 0.000 0.242 303 I C 2.290 178.321 176.117 -0.142 0.000 1.091 303 I CA 1.233 62.418 61.300 -0.191 0.000 1.368 303 I CB -0.337 37.535 38.000 -0.213 0.000 1.058 303 I HN 0.048 nan 8.210 nan 0.000 0.410 304 T N 1.306 115.779 114.554 -0.135 0.000 2.746 304 T HA -0.135 4.221 4.350 0.009 0.000 0.267 304 T C 1.932 176.582 174.700 -0.083 0.000 1.039 304 T CA 1.304 63.362 62.100 -0.071 0.000 1.142 304 T CB -0.295 68.555 68.868 -0.029 0.000 0.866 304 T HN 0.226 nan 8.240 nan 0.000 0.444 305 L N 0.543 121.708 121.223 -0.096 0.000 2.056 305 L HA 0.044 4.389 4.340 0.009 0.000 0.207 305 L C 3.053 179.845 176.870 -0.130 0.000 1.078 305 L CA 1.240 56.022 54.840 -0.096 0.000 0.749 305 L CB -1.014 40.993 42.059 -0.087 0.000 0.901 305 L HN 0.349 nan 8.230 nan 0.000 0.433 306 G N 0.311 109.019 108.800 -0.153 0.000 2.440 306 G HA2 -0.236 3.730 3.960 0.009 0.000 0.218 306 G HA3 -0.236 3.730 3.960 0.009 0.000 0.218 306 G C 1.627 176.366 174.900 -0.269 0.000 1.154 306 G CA 0.666 45.648 45.100 -0.197 0.000 0.767 306 G HN 0.227 nan 8.290 nan 0.000 0.552 307 L N -0.160 120.913 121.223 -0.250 0.000 2.083 307 L HA -0.094 4.252 4.340 0.009 0.000 0.209 307 L C 3.171 179.871 176.870 -0.283 0.000 1.083 307 L CA 0.833 55.478 54.840 -0.324 0.000 0.752 307 L CB -0.324 41.625 42.059 -0.185 0.000 0.899 307 L HN 0.153 nan 8.230 nan 0.000 0.433 308 Q N -0.073 119.626 119.800 -0.168 0.000 2.124 308 Q HA -0.119 4.226 4.340 0.009 0.000 0.202 308 Q C 2.262 178.184 176.000 -0.129 0.000 0.977 308 Q CA 1.606 57.342 55.803 -0.112 0.000 0.850 308 Q CB -0.625 28.071 28.738 -0.070 0.000 0.901 308 Q HN 0.563 nan 8.270 nan 0.000 0.429 309 G N 0.868 109.567 108.800 -0.167 0.000 2.453 309 G HA2 -0.208 3.757 3.960 0.009 0.000 0.215 309 G HA3 -0.208 3.757 3.960 0.009 0.000 0.215 309 G C 1.569 176.351 174.900 -0.198 0.000 1.201 309 G CA 1.780 46.784 45.100 -0.159 0.000 0.784 309 G HN 0.378 nan 8.290 nan 0.000 0.545 310 V N -0.637 119.044 119.914 -0.388 0.000 2.515 310 V HA -0.034 4.092 4.120 0.009 0.000 0.250 310 V C 2.604 178.543 176.094 -0.258 0.000 1.058 310 V CA 1.692 63.671 62.300 -0.535 0.000 1.064 310 V CB -0.643 30.385 31.823 -1.326 0.000 0.675 310 V HN 0.219 nan 8.190 nan 0.000 0.461 311 L N 0.987 122.060 121.223 -0.250 0.000 1.994 311 L HA -0.039 4.306 4.340 0.009 0.000 0.208 311 L C 2.696 179.664 176.870 0.164 0.000 1.071 311 L CA 2.528 57.460 54.840 0.153 0.000 0.745 311 L CB -0.904 41.223 42.059 0.113 0.000 0.892 311 L HN 0.405 nan 8.230 nan 0.000 0.431 312 R N -0.337 120.196 120.500 0.055 0.000 2.091 312 R HA -0.198 4.147 4.340 0.009 0.000 0.238 312 R C 2.159 178.506 176.300 0.079 0.000 1.136 312 R CA 2.146 58.279 56.100 0.055 0.000 0.959 312 R CB -1.177 29.130 30.300 0.011 0.000 0.856 312 R HN 0.465 nan 8.270 nan 0.000 0.437 313 L N 0.145 121.420 121.223 0.086 0.000 2.012 313 L HA 0.031 4.376 4.340 0.009 0.000 0.210 313 L C 2.132 179.095 176.870 0.156 0.000 1.073 313 L CA 2.513 57.419 54.840 0.111 0.000 0.748 313 L CB -1.324 40.819 42.059 0.140 0.000 0.891 313 L HN 0.321 nan 8.230 nan 0.000 0.431 314 G N -0.636 108.386 108.800 0.370 0.000 2.446 314 G HA2 -0.266 3.700 3.960 0.009 0.000 0.217 314 G HA3 -0.266 3.700 3.960 0.009 0.000 0.217 314 G C 1.658 176.672 174.900 0.191 0.000 1.168 314 G CA 0.701 46.021 45.100 0.368 0.000 0.771 314 G HN 0.326 nan 8.290 nan 0.000 0.551 315 R N -0.084 120.524 120.500 0.180 0.000 2.081 315 R HA 0.029 4.374 4.340 0.009 0.000 0.235 315 R C 2.708 179.050 176.300 0.071 0.000 1.131 315 R CA 1.223 57.393 56.100 0.116 0.000 0.960 315 R CB -0.768 29.593 30.300 0.100 0.000 0.856 315 R HN 0.436 nan 8.270 nan 0.000 0.436 316 M N 0.589 120.218 119.600 0.048 0.000 2.086 316 M HA -0.166 4.320 4.480 0.009 0.000 0.261 316 M C 2.197 178.487 176.300 -0.017 0.000 1.067 316 M CA 1.766 57.074 55.300 0.014 0.000 1.116 316 M CB -0.333 32.268 32.600 0.002 0.000 1.348 316 M HN 0.022 nan 8.290 nan 0.000 0.407 317 K N 0.235 120.589 120.400 -0.077 0.000 2.063 317 K HA -0.165 4.160 4.320 0.009 0.000 0.208 317 K C 1.540 178.152 176.600 0.019 0.000 1.048 317 K CA 1.372 57.553 56.287 -0.176 0.000 0.928 317 K CB -0.223 31.916 32.500 -0.601 0.000 0.713 317 K HN 0.288 nan 8.250 nan 0.000 0.442 318 D N 0.811 121.277 120.400 0.109 0.000 2.178 318 D HA -0.122 4.524 4.640 0.009 0.000 0.202 318 D C 1.196 177.547 176.300 0.085 0.000 0.974 318 D CA 1.121 55.210 54.000 0.150 0.000 0.841 318 D CB 0.055 40.934 40.800 0.131 0.000 0.953 318 D HN 0.329 nan 8.370 nan 0.000 0.478 319 E N -0.442 119.792 120.200 0.057 0.000 2.489 319 E HA 0.188 4.543 4.350 0.009 0.000 0.193 319 E C 1.223 177.843 176.600 0.033 0.000 1.057 319 E CA 0.282 56.707 56.400 0.041 0.000 0.866 319 E CB 0.316 30.036 29.700 0.032 0.000 0.916 319 E HN 0.216 nan 8.360 nan 0.000 0.500 320 G N 1.841 110.660 108.800 0.031 0.000 2.168 320 G HA2 -0.365 3.601 3.960 0.009 0.000 0.257 320 G HA3 -0.365 3.601 3.960 0.009 0.000 0.257 320 G C 1.068 175.973 174.900 0.008 0.000 0.997 320 G CA 1.002 46.115 45.100 0.021 0.000 0.708 320 G HN 0.436 nan 8.290 nan 0.000 0.520 321 T N -3.021 111.535 114.554 0.004 0.000 3.086 321 T HA 0.629 4.985 4.350 0.009 0.000 0.250 321 T C 1.083 175.779 174.700 -0.008 0.000 1.074 321 T CA 1.170 63.271 62.100 0.002 0.000 0.988 321 T CB 0.676 69.548 68.868 0.007 0.000 0.988 321 T HN 1.564 nan 8.240 nan 0.000 0.530 322 A N 1.527 124.332 122.820 -0.025 0.000 2.310 322 A HA 0.790 5.115 4.320 0.009 0.000 0.300 322 A C 0.749 178.314 177.584 -0.031 0.000 1.269 322 A CA -0.605 51.409 52.037 -0.037 0.000 0.909 322 A CB -0.313 18.641 19.000 -0.077 0.000 1.144 322 A HN 0.711 nan 8.150 nan 0.000 0.540 323 A N 2.097 124.907 122.820 -0.016 0.000 2.445 323 A HA 0.396 4.721 4.320 0.009 0.000 0.242 323 A C 1.519 179.096 177.584 -0.012 0.000 1.075 323 A CA 0.195 52.228 52.037 -0.007 0.000 0.777 323 A CB 0.047 19.047 19.000 0.001 0.000 1.013 323 A HN 1.973 nan 8.150 nan 0.000 0.493 324 V N -0.091 119.822 119.914 -0.001 0.000 2.594 324 V HA -0.166 3.959 4.120 0.009 0.000 0.253 324 V C 1.590 177.683 176.094 -0.001 0.000 1.069 324 V CA 2.446 64.744 62.300 -0.002 0.000 1.082 324 V CB -1.207 30.625 31.823 0.015 0.000 0.680 324 V HN 0.853 nan 8.190 nan 0.000 0.469 325 E N 1.107 121.310 120.200 0.004 0.000 2.153 325 E HA -0.056 4.299 4.350 0.009 0.000 0.194 325 E C 1.961 178.559 176.600 -0.004 0.000 0.988 325 E CA 1.696 58.101 56.400 0.008 0.000 0.811 325 E CB -0.585 29.121 29.700 0.010 0.000 0.746 325 E HN 0.718 nan 8.360 nan 0.000 0.466 326 I N 0.615 121.178 120.570 -0.012 0.000 2.264 326 I HA -0.295 3.881 4.170 0.009 0.000 0.248 326 I C 1.957 178.057 176.117 -0.029 0.000 1.111 326 I CA 1.267 62.555 61.300 -0.020 0.000 1.382 326 I CB -0.543 37.446 38.000 -0.017 0.000 1.060 326 I HN 0.105 nan 8.210 nan 0.000 0.418 327 T N -0.097 114.444 114.554 -0.023 0.000 2.803 327 T HA -0.152 4.204 4.350 0.009 0.000 0.269 327 T C 2.130 176.758 174.700 -0.121 0.000 1.052 327 T CA 1.692 63.773 62.100 -0.031 0.000 1.136 327 T CB -0.167 68.700 68.868 -0.001 0.000 0.864 327 T HN 0.301 nan 8.240 nan 0.000 0.467 328 S N 0.912 116.555 115.700 -0.096 0.000 2.383 328 S HA 0.037 4.513 4.470 0.009 0.000 0.227 328 S C 2.012 176.503 174.600 -0.181 0.000 1.026 328 S CA 0.706 58.804 58.200 -0.171 0.000 0.981 328 S CB -0.358 62.918 63.200 0.126 0.000 0.818 328 S HN 0.452 nan 8.310 nan 0.000 0.472 329 I N 1.152 121.664 120.570 -0.097 0.000 2.179 329 I HA -0.213 3.963 4.170 0.009 0.000 0.242 329 I C 2.280 178.320 176.117 -0.128 0.000 1.088 329 I CA 1.039 62.286 61.300 -0.090 0.000 1.357 329 I CB -0.309 37.653 38.000 -0.063 0.000 1.051 329 I HN 0.288 nan 8.210 nan 0.000 0.409 330 M N 0.284 119.801 119.600 -0.138 0.000 2.236 330 M HA -0.113 4.372 4.480 0.009 0.000 0.266 330 M C 2.250 178.434 176.300 -0.193 0.000 1.070 330 M CA 1.522 56.725 55.300 -0.161 0.000 1.137 330 M CB -1.105 31.406 32.600 -0.149 0.000 1.378 330 M HN 0.067 nan 8.290 nan 0.000 0.426 331 K N 0.730 120.989 120.400 -0.235 0.000 2.026 331 K HA -0.128 4.198 4.320 0.009 0.000 0.208 331 K C 2.168 178.626 176.600 -0.237 0.000 1.048 331 K CA 1.621 57.748 56.287 -0.267 0.000 0.929 331 K CB -0.360 31.894 32.500 -0.411 0.000 0.713 331 K HN 0.189 nan 8.250 nan 0.000 0.439 332 R N 0.043 120.383 120.500 -0.266 0.000 2.081 332 R HA -0.144 4.201 4.340 0.009 0.000 0.235 332 R C 2.089 178.324 176.300 -0.108 0.000 1.131 332 R CA 1.987 58.005 56.100 -0.136 0.000 0.960 332 R CB -0.447 29.806 30.300 -0.078 0.000 0.856 332 R HN 0.363 nan 8.270 nan 0.000 0.436 333 N N -0.384 118.243 118.700 -0.122 0.000 2.106 333 N HA -0.091 4.654 4.740 0.009 0.000 0.188 333 N C 1.549 176.985 175.510 -0.124 0.000 1.029 333 N CA 1.965 54.947 53.050 -0.113 0.000 0.848 333 N CB -0.046 38.369 38.487 -0.120 0.000 1.007 333 N HN 0.043 nan 8.380 nan 0.000 0.423 334 S N -0.767 114.846 115.700 -0.145 0.000 2.356 334 S HA -0.119 4.357 4.470 0.009 0.000 0.223 334 S C 2.215 176.744 174.600 -0.118 0.000 1.032 334 S CA 1.120 59.231 58.200 -0.147 0.000 1.005 334 S CB -0.539 62.557 63.200 -0.174 0.000 0.867 334 S HN 0.535 nan 8.310 nan 0.000 0.449 335 C N 1.230 120.467 119.300 -0.105 0.000 2.453 335 C HA 0.043 4.508 4.460 0.009 0.000 0.277 335 C C 2.956 177.893 174.990 -0.088 0.000 1.262 335 C CA 0.486 59.450 59.018 -0.090 0.000 1.718 335 C CB -1.704 25.990 27.740 -0.076 0.000 2.031 335 C HN 0.723 nan 8.230 nan 0.000 0.480 336 G N 0.558 109.309 108.800 -0.082 0.000 2.418 336 G HA2 -0.174 3.791 3.960 0.009 0.000 0.217 336 G HA3 -0.174 3.791 3.960 0.009 0.000 0.217 336 G C 1.713 176.566 174.900 -0.078 0.000 1.158 336 G CA 0.697 45.753 45.100 -0.074 0.000 0.771 336 G HN 0.420 nan 8.290 nan 0.000 0.545 337 K N 0.984 121.331 120.400 -0.089 0.000 2.057 337 K HA 0.102 4.428 4.320 0.009 0.000 0.206 337 K C 2.869 179.411 176.600 -0.096 0.000 1.050 337 K CA 1.109 57.339 56.287 -0.095 0.000 0.935 337 K CB -0.785 31.649 32.500 -0.109 0.000 0.715 337 K HN 0.258 nan 8.250 nan 0.000 0.439 338 A N 1.508 124.269 122.820 -0.099 0.000 1.902 338 A HA -0.155 4.171 4.320 0.009 0.000 0.217 338 A C 2.220 179.754 177.584 -0.084 0.000 1.181 338 A CA 1.263 53.242 52.037 -0.097 0.000 0.623 338 A CB -0.578 18.363 19.000 -0.099 0.000 0.818 338 A HN 0.212 nan 8.150 nan 0.000 0.443 339 L N 0.290 121.465 121.223 -0.079 0.000 2.017 339 L HA -0.179 4.166 4.340 0.009 0.000 0.208 339 L C 1.667 178.501 176.870 -0.061 0.000 1.073 339 L CA 2.551 57.350 54.840 -0.069 0.000 0.745 339 L CB -0.756 41.261 42.059 -0.071 0.000 0.894 339 L HN 0.361 nan 8.230 nan 0.000 0.432 340 D N -0.344 120.018 120.400 -0.063 0.000 2.123 340 D HA -0.214 4.431 4.640 0.009 0.000 0.196 340 D C 2.343 178.609 176.300 -0.056 0.000 0.992 340 D CA 1.898 55.864 54.000 -0.057 0.000 0.833 340 D CB -0.135 40.628 40.800 -0.062 0.000 0.954 340 D HN 0.445 nan 8.370 nan 0.000 0.455 341 I N 1.039 121.570 120.570 -0.066 0.000 2.286 341 I HA -0.205 3.970 4.170 0.009 0.000 0.245 341 I C 2.488 178.581 176.117 -0.039 0.000 1.104 341 I CA 0.831 62.095 61.300 -0.060 0.000 1.397 341 I CB -0.129 37.824 38.000 -0.078 0.000 1.072 341 I HN -0.090 nan 8.210 nan 0.000 0.417 342 A N 0.786 123.579 122.820 -0.046 0.000 1.908 342 A HA -0.239 4.086 4.320 0.009 0.000 0.218 342 A C 2.380 179.945 177.584 -0.031 0.000 1.181 342 A CA 1.673 53.690 52.037 -0.034 0.000 0.627 342 A CB -0.596 18.384 19.000 -0.033 0.000 0.818 342 A HN 0.314 nan 8.150 nan 0.000 0.445 343 R N -1.488 118.991 120.500 -0.036 0.000 2.075 343 R HA -0.059 4.287 4.340 0.009 0.000 0.232 343 R C 2.046 178.328 176.300 -0.030 0.000 1.126 343 R CA 1.253 57.333 56.100 -0.033 0.000 0.963 343 R CB -0.443 29.837 30.300 -0.034 0.000 0.858 343 R HN 0.438 nan 8.270 nan 0.000 0.435 344 L N 0.494 121.700 121.223 -0.028 0.000 2.056 344 L HA -0.094 4.252 4.340 0.009 0.000 0.207 344 L C 2.284 179.146 176.870 -0.014 0.000 1.078 344 L CA 1.872 56.700 54.840 -0.021 0.000 0.749 344 L CB -0.709 41.337 42.059 -0.022 0.000 0.901 344 L HN 0.137 nan 8.230 nan 0.000 0.433 345 A N -0.793 122.022 122.820 -0.009 0.000 1.877 345 A HA -0.250 4.075 4.320 0.009 0.000 0.216 345 A C 2.411 179.964 177.584 -0.053 0.000 1.186 345 A CA 1.715 53.747 52.037 -0.008 0.000 0.620 345 A CB -0.560 18.449 19.000 0.014 0.000 0.822 345 A HN 0.383 nan 8.150 nan 0.000 0.443 346 R N 0.711 121.180 120.500 -0.053 0.000 2.096 346 R HA -0.157 4.188 4.340 0.009 0.000 0.240 346 R C 1.054 177.307 176.300 -0.079 0.000 1.139 346 R CA 2.238 58.294 56.100 -0.072 0.000 0.952 346 R CB -0.779 29.489 30.300 -0.053 0.000 0.854 346 R HN 0.489 nan 8.270 nan 0.000 0.436 347 D N -0.529 119.839 120.400 -0.053 0.000 2.348 347 D HA -0.078 4.567 4.640 0.009 0.000 0.216 347 D C 1.473 177.747 176.300 -0.042 0.000 0.970 347 D CA 0.960 54.935 54.000 -0.042 0.000 0.889 347 D CB -0.032 40.753 40.800 -0.025 0.000 0.912 347 D HN 0.375 nan 8.370 nan 0.000 0.524 348 M N -0.220 119.347 119.600 -0.056 0.000 2.541 348 M HA 0.090 4.575 4.480 0.009 0.000 0.252 348 M C 0.284 176.493 176.300 -0.152 0.000 1.125 348 M CA 0.379 55.651 55.300 -0.045 0.000 1.091 348 M CB 0.450 33.047 32.600 -0.006 0.000 1.420 348 M HN -0.166 nan 8.290 nan 0.000 0.486 349 L N 0.097 121.144 121.223 -0.293 0.000 2.289 349 L HA 0.608 4.953 4.340 0.009 0.000 0.285 349 L C 0.464 177.173 176.870 -0.268 0.000 1.049 349 L CA -0.819 53.663 54.840 -0.597 0.000 0.804 349 L CB 1.124 42.840 42.059 -0.571 0.000 1.195 349 L HN 0.020 nan 8.230 nan 0.000 0.428 358 F N 2.419 122.337 119.950 -0.054 0.000 2.773 358 F HA 0.490 5.022 4.527 0.009 0.000 0.299 358 F C 2.405 178.132 175.800 -0.121 0.000 1.204 358 F CA 1.429 59.379 58.000 -0.084 0.000 1.454 358 F CB -1.254 37.704 39.000 -0.071 0.000 1.117 358 F HN 0.548 nan 8.300 nan 0.000 0.590 359 G N -0.047 108.689 108.800 -0.106 0.000 2.507 359 G HA2 -0.179 3.787 3.960 0.009 0.000 0.221 359 G HA3 -0.179 3.787 3.960 0.009 0.000 0.221 359 G C 1.813 176.632 174.900 -0.134 0.000 1.119 359 G CA 1.473 46.476 45.100 -0.161 0.000 0.751 359 G HN 0.448 nan 8.290 nan 0.000 0.574 360 V N 1.263 121.150 119.914 -0.045 0.000 2.343 360 V HA -0.118 4.007 4.120 0.009 0.000 0.247 360 V C 3.275 179.336 176.094 -0.055 0.000 1.051 360 V CA 1.945 64.248 62.300 0.004 0.000 1.036 360 V CB -0.759 31.051 31.823 -0.022 0.000 0.654 360 V HN 0.482 nan 8.190 nan 0.000 0.451 361 A N -0.055 122.698 122.820 -0.112 0.000 1.969 361 A HA -0.224 4.101 4.320 0.009 0.000 0.218 361 A C 2.387 179.853 177.584 -0.197 0.000 1.169 361 A CA 1.916 53.881 52.037 -0.121 0.000 0.635 361 A CB -0.490 18.448 19.000 -0.103 0.000 0.810 361 A HN 0.521 nan 8.150 nan 0.000 0.445 362 R N -1.355 118.927 120.500 -0.362 0.000 2.057 362 R HA -0.145 4.201 4.340 0.009 0.000 0.229 362 R C 2.136 178.185 176.300 -0.419 0.000 1.136 362 R CA 1.460 57.155 56.100 -0.674 0.000 0.952 362 R CB -0.485 29.245 30.300 -0.950 0.000 0.848 362 R HN 0.587 nan 8.270 nan 0.000 0.430 363 H N 0.559 119.483 119.070 -0.244 0.000 2.353 363 H HA -0.178 4.383 4.556 0.008 0.000 0.298 363 H C 2.032 177.289 175.328 -0.118 0.000 1.103 363 H CA 1.728 57.685 56.048 -0.150 0.000 1.293 363 H CB -0.255 29.442 29.762 -0.108 0.000 1.372 363 H HN 0.198 nan 8.280 nan 0.000 0.501 364 L N 1.153 122.382 121.223 0.010 0.000 1.994 364 L HA -0.147 4.198 4.340 0.009 0.000 0.208 364 L C 2.669 179.524 176.870 -0.025 0.000 1.071 364 L CA 1.704 56.533 54.840 -0.017 0.000 0.745 364 L CB -1.005 41.036 42.059 -0.030 0.000 0.892 364 L HN 0.173 nan 8.230 nan 0.000 0.431 365 V N -2.225 117.675 119.914 -0.023 0.000 2.515 365 V HA -0.170 3.955 4.120 0.009 0.000 0.250 365 V C 2.363 178.469 176.094 0.020 0.000 1.058 365 V CA 1.758 64.070 62.300 0.019 0.000 1.064 365 V CB -1.306 30.580 31.823 0.106 0.000 0.675 365 V HN 0.467 nan 8.190 nan 0.000 0.461 366 N N 1.314 120.025 118.700 0.018 0.000 2.043 366 N HA -0.084 4.661 4.740 0.009 0.000 0.193 366 N C 1.792 177.264 175.510 -0.063 0.000 1.037 366 N CA 2.120 55.176 53.050 0.010 0.000 0.851 366 N CB -0.621 37.875 38.487 0.016 0.000 1.027 366 N HN 0.494 nan 8.380 nan 0.000 0.422 367 L N 1.227 122.417 121.223 -0.055 0.000 2.201 367 L HA -0.098 4.247 4.340 0.009 0.000 0.212 367 L C 2.051 178.845 176.870 -0.126 0.000 1.105 367 L CA 0.890 55.672 54.840 -0.097 0.000 0.775 367 L CB -0.294 41.725 42.059 -0.067 0.000 0.913 367 L HN 0.203 nan 8.230 nan 0.000 0.440 368 E N -0.493 119.649 120.200 -0.095 0.000 2.110 368 E HA -0.191 4.165 4.350 0.009 0.000 0.193 368 E C 2.234 178.747 176.600 -0.145 0.000 0.988 368 E CA 1.276 57.617 56.400 -0.099 0.000 0.804 368 E CB 0.013 29.674 29.700 -0.064 0.000 0.745 368 E HN 0.290 nan 8.360 nan 0.000 0.458 369 V N 0.401 120.210 119.914 -0.174 0.000 2.346 369 V HA -0.188 3.937 4.120 0.009 0.000 0.244 369 V C 2.282 178.103 176.094 -0.455 0.000 1.037 369 V CA 1.029 63.178 62.300 -0.252 0.000 1.029 369 V CB -0.239 31.461 31.823 -0.206 0.000 0.663 369 V HN 0.126 nan 8.190 nan 0.000 0.454 370 V N 0.786 120.346 119.914 -0.590 0.000 2.324 370 V HA -0.302 3.823 4.120 0.009 0.000 0.250 370 V C 2.251 177.978 176.094 -0.612 0.000 1.060 370 V CA 2.203 63.879 62.300 -1.040 0.000 1.042 370 V CB -0.856 30.639 31.823 -0.547 0.000 0.650 370 V HN 0.611 nan 8.190 nan 0.000 0.450 371 N N 0.217 118.728 118.700 -0.314 0.000 2.443 371 N HA -0.113 4.632 4.740 0.009 0.000 0.184 371 N C 1.638 177.072 175.510 -0.127 0.000 1.037 371 N CA 1.792 54.739 53.050 -0.172 0.000 0.896 371 N CB 0.040 38.452 38.487 -0.125 0.000 0.959 371 N HN 0.736 nan 8.380 nan 0.000 0.442 372 T N -3.452 111.005 114.554 -0.162 0.000 3.134 372 T HA 0.113 4.469 4.350 0.009 0.000 0.260 372 T C 1.342 176.040 174.700 -0.004 0.000 1.027 372 T CA -0.405 61.643 62.100 -0.087 0.000 0.913 372 T CB -0.263 68.542 68.868 -0.106 0.000 1.046 372 T HN -0.052 nan 8.240 nan 0.000 0.553 373 Y N 2.850 123.123 120.300 -0.045 0.000 2.181 373 Y HA -0.060 4.497 4.550 0.012 0.000 0.284 373 Y C 2.075 177.979 175.900 0.006 0.000 1.179 373 Y CA 0.963 59.052 58.100 -0.018 0.000 1.179 373 Y CB -0.244 38.227 38.460 0.017 0.000 0.973 373 Y HN 0.494 nan 8.280 nan 0.000 0.519 374 E N -0.532 119.770 120.200 0.171 0.000 2.499 374 E HA 0.372 4.728 4.350 0.009 0.000 0.199 374 E C 0.875 177.484 176.600 0.015 0.000 1.016 374 E CA 0.434 56.881 56.400 0.079 0.000 0.933 374 E CB 0.103 29.820 29.700 0.028 0.000 1.050 374 E HN 0.390 nan 8.360 nan 0.000 0.462 375 G N 1.297 110.124 108.800 0.045 0.000 2.549 375 G HA2 -0.244 3.721 3.960 0.009 0.000 0.404 375 G HA3 -0.244 3.721 3.960 0.009 0.000 0.404 375 G C 0.392 175.300 174.900 0.012 0.000 1.292 375 G CA -0.206 44.941 45.100 0.079 0.000 0.935 375 G HN 0.138 nan 8.290 nan 0.000 0.512 376 T N -3.378 111.226 114.554 0.083 0.000 3.182 376 T HA 0.413 4.769 4.350 0.009 0.000 0.277 376 T C 0.914 175.650 174.700 0.060 0.000 1.013 376 T CA 1.130 63.249 62.100 0.033 0.000 0.900 376 T CB -0.236 68.655 68.868 0.038 0.000 1.098 376 T HN 1.528 nan 8.240 nan 0.000 0.543 377 H N -1.225 117.840 119.070 -0.009 0.000 2.505 377 H HA 0.467 5.028 4.556 0.008 0.000 0.286 377 H C 0.186 175.504 175.328 -0.017 0.000 1.072 377 H CA -0.387 55.654 56.048 -0.011 0.000 1.141 377 H CB -0.036 29.720 29.762 -0.011 0.000 1.550 377 H HN 0.157 nan 8.280 nan 0.000 0.547 378 D N 0.876 121.126 120.400 -0.250 0.000 2.737 378 D HA -0.240 4.406 4.640 0.009 0.000 0.238 378 D C 1.010 177.171 176.300 -0.232 0.000 1.157 378 D CA 0.642 54.537 54.000 -0.176 0.000 0.694 378 D CB -1.354 39.411 40.800 -0.058 0.000 1.021 378 D HN 0.744 nan 8.370 nan 0.000 0.420 379 I N 0.489 120.769 120.570 -0.484 0.000 2.315 379 I HA -0.318 3.858 4.170 0.009 0.000 0.251 379 I C 1.954 177.890 176.117 -0.301 0.000 1.125 379 I CA 1.268 62.314 61.300 -0.423 0.000 1.392 379 I CB -0.027 37.648 38.000 -0.541 0.000 1.065 379 I HN 0.316 nan 8.210 nan 0.000 0.424 380 H N 0.564 119.568 119.070 -0.110 0.000 2.403 380 H HA 0.036 4.596 4.556 0.008 0.000 0.298 380 H C 2.319 177.615 175.328 -0.054 0.000 1.059 380 H CA 1.212 57.215 56.048 -0.076 0.000 1.363 380 H CB -0.274 29.444 29.762 -0.073 0.000 1.410 380 H HN 0.480 nan 8.280 nan 0.000 0.528 381 A N 1.502 124.350 122.820 0.046 0.000 1.917 381 A HA -0.149 4.176 4.320 0.009 0.000 0.219 381 A C 2.643 180.235 177.584 0.013 0.000 1.182 381 A CA 1.289 53.338 52.037 0.019 0.000 0.633 381 A CB -0.924 18.079 19.000 0.004 0.000 0.819 381 A HN 0.282 nan 8.150 nan 0.000 0.448 382 L N -0.890 120.334 121.223 0.002 0.000 2.093 382 L HA -0.147 4.198 4.340 0.009 0.000 0.208 382 L C 2.471 179.346 176.870 0.008 0.000 1.085 382 L CA 1.086 55.933 54.840 0.012 0.000 0.755 382 L CB -0.595 41.482 42.059 0.031 0.000 0.904 382 L HN 0.352 nan 8.230 nan 0.000 0.435 383 I N -0.001 120.566 120.570 -0.004 0.000 2.163 383 I HA -0.324 3.852 4.170 0.009 0.000 0.243 383 I C 2.410 178.538 176.117 0.019 0.000 1.085 383 I CA 1.524 62.827 61.300 0.006 0.000 1.347 383 I CB -0.220 37.785 38.000 0.008 0.000 1.044 383 I HN 0.205 nan 8.210 nan 0.000 0.408 384 L N -0.020 121.218 121.223 0.024 0.000 2.109 384 L HA -0.060 4.286 4.340 0.009 0.000 0.207 384 L C 2.689 179.566 176.870 0.011 0.000 1.086 384 L CA 1.286 56.137 54.840 0.017 0.000 0.760 384 L CB -1.164 40.904 42.059 0.014 0.000 0.910 384 L HN 0.302 nan 8.230 nan 0.000 0.437 385 G N 0.114 108.921 108.800 0.011 0.000 2.446 385 G HA2 -0.305 3.661 3.960 0.009 0.000 0.217 385 G HA3 -0.305 3.661 3.960 0.009 0.000 0.217 385 G C 1.753 176.659 174.900 0.011 0.000 1.168 385 G CA 0.847 45.953 45.100 0.010 0.000 0.771 385 G HN 0.278 nan 8.290 nan 0.000 0.551 386 R N 0.586 121.094 120.500 0.013 0.000 2.092 386 R HA 0.105 4.450 4.340 0.009 0.000 0.231 386 R C 2.789 179.097 176.300 0.014 0.000 1.119 386 R CA 1.381 57.489 56.100 0.014 0.000 0.970 386 R CB -0.400 29.911 30.300 0.018 0.000 0.864 386 R HN 0.265 nan 8.270 nan 0.000 0.440 387 A N 0.572 123.400 122.820 0.013 0.000 2.019 387 A HA -0.169 4.156 4.320 0.009 0.000 0.219 387 A C 1.940 179.529 177.584 0.009 0.000 1.164 387 A CA 1.263 53.308 52.037 0.012 0.000 0.644 387 A CB -0.263 18.745 19.000 0.012 0.000 0.805 387 A HN 0.505 nan 8.150 nan 0.000 0.449 388 Q N -1.371 118.433 119.800 0.007 0.000 2.250 388 Q HA -0.055 4.290 4.340 0.009 0.000 0.200 388 Q C 1.988 177.991 176.000 0.005 0.000 0.941 388 Q CA 1.590 57.396 55.803 0.005 0.000 0.872 388 Q CB 0.081 28.820 28.738 0.003 0.000 0.965 388 Q HN 0.840 nan 8.270 nan 0.000 0.480 389 T N -5.139 109.419 114.554 0.006 0.000 2.985 389 T HA 0.325 4.680 4.350 0.009 0.000 0.254 389 T C 1.398 176.102 174.700 0.007 0.000 1.021 389 T CA 0.580 62.684 62.100 0.006 0.000 0.957 389 T CB 0.963 69.834 68.868 0.006 0.000 1.047 389 T HN 0.363 nan 8.240 nan 0.000 0.511 390 G N 1.745 110.551 108.800 0.009 0.000 2.267 390 G HA2 -0.225 3.740 3.960 0.009 0.000 0.257 390 G HA3 -0.225 3.740 3.960 0.009 0.000 0.257 390 G C 0.030 174.937 174.900 0.012 0.000 0.998 390 G CA 0.210 45.316 45.100 0.011 0.000 0.620 390 G HN 0.660 nan 8.290 nan 0.000 0.529 391 I N 1.423 122.000 120.570 0.011 0.000 2.315 391 I HA 0.352 4.528 4.170 0.009 0.000 0.291 391 I C 0.617 176.742 176.117 0.014 0.000 1.006 391 I CA -0.771 60.536 61.300 0.011 0.000 1.265 391 I CB 1.586 39.592 38.000 0.009 0.000 1.387 391 I HN 0.157 nan 8.210 nan 0.000 0.475 392 Q N 5.866 125.675 119.800 0.015 0.000 2.262 392 Q HA 0.312 4.658 4.340 0.009 0.000 0.272 392 Q C -0.246 175.763 176.000 0.015 0.000 1.076 392 Q CA -0.140 55.674 55.803 0.017 0.000 0.905 392 Q CB 0.985 29.734 28.738 0.018 0.000 1.182 392 Q HN 0.709 nan 8.270 nan 0.000 0.390 393 A N 3.933 126.764 122.820 0.017 0.000 2.511 393 A HA 0.453 4.779 4.320 0.009 0.000 0.242 393 A C 0.170 177.762 177.584 0.012 0.000 1.069 393 A CA 0.281 52.328 52.037 0.016 0.000 0.763 393 A CB -0.524 18.488 19.000 0.021 0.000 1.001 393 A HN 0.862 nan 8.150 nan 0.000 0.498 394 F N 0.000 119.955 119.950 0.009 0.000 2.286 394 F HA 0.000 4.532 4.527 0.009 0.000 0.279 394 F CA 0.000 58.003 58.000 0.005 0.000 1.383 394 F CB 0.000 39.002 39.000 0.004 0.000 1.145 394 F HN 0.000 nan 8.300 nan 0.000 0.574