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 1v8g_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDAVKKAILG EVLEEEEAYE VMRALMAGEV SPVRAAGLLV ALSLRGERPH DATA SEQUENCE EIAAMARAMR EAARPLRVHR RPLLDIVGTG GDGKGLMNLS TLAALVAAAG DATA SEQUENCE GVAVAKHGNR AASSRAGSAD LLEALGVDLE APPERVGEAI EELGFGFLFA DATA SEQUENCE RVFHPAMRHV APVRAELGVR TVFNLLGPLT NPAGADAYVL GVFSPEWLAP DATA SEQUENCE MAEALERLGA RGLVVHGEGA DELVLGENRV VEVGKGAYAL TPEEVGLKRA DATA SEQUENCE PLEALKGGGP EENAALARRL LKGEEKGPLA DAVALAAGAG FYAAGKTPSL DATA SEQUENCE KEGVALAREV LASGEAYLLL ERYVAFLRA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 D N 2.574 122.981 120.400 0.011 0.000 2.525 2 D HA 0.288 4.928 4.640 0.001 0.000 0.235 2 D C 1.038 177.345 176.300 0.012 0.000 1.137 2 D CA 1.357 55.364 54.000 0.011 0.000 0.868 2 D CB 1.383 42.188 40.800 0.009 0.000 1.180 2 D HN 0.646 nan 8.370 nan 0.000 0.465 3 A N 3.026 125.855 122.820 0.015 0.000 1.969 3 A HA -0.079 4.242 4.320 0.001 0.000 0.218 3 A C 2.155 179.745 177.584 0.009 0.000 1.169 3 A CA 1.148 53.194 52.037 0.015 0.000 0.635 3 A CB -0.353 18.660 19.000 0.021 0.000 0.810 3 A HN 0.517 nan 8.150 nan 0.000 0.445 4 V N 0.095 120.014 119.914 0.007 0.000 2.453 4 V HA -0.201 3.919 4.120 0.001 0.000 0.247 4 V C 2.467 178.565 176.094 0.006 0.000 1.048 4 V CA 2.188 64.491 62.300 0.005 0.000 1.049 4 V CB -0.583 31.242 31.823 0.005 0.000 0.672 4 V HN 0.688 nan 8.190 nan 0.000 0.457 5 K N 0.668 121.072 120.400 0.007 0.000 2.097 5 K HA -0.219 4.102 4.320 0.001 0.000 0.205 5 K C 2.260 178.865 176.600 0.008 0.000 1.050 5 K CA 1.639 57.931 56.287 0.007 0.000 0.938 5 K CB -0.128 32.376 32.500 0.007 0.000 0.718 5 K HN 0.381 nan 8.250 nan 0.000 0.442 6 K N 0.096 120.502 120.400 0.009 0.000 2.057 6 K HA -0.116 4.205 4.320 0.001 0.000 0.207 6 K C 1.929 178.534 176.600 0.009 0.000 1.049 6 K CA 1.204 57.497 56.287 0.010 0.000 0.931 6 K CB -0.153 32.355 32.500 0.013 0.000 0.714 6 K HN 0.223 nan 8.250 nan 0.000 0.440 7 A N 1.358 124.181 122.820 0.006 0.000 1.873 7 A HA -0.106 4.215 4.320 0.001 0.000 0.215 7 A C 2.056 179.643 177.584 0.005 0.000 1.186 7 A CA 1.356 53.395 52.037 0.003 0.000 0.616 7 A CB -0.547 18.451 19.000 -0.004 0.000 0.823 7 A HN 0.343 nan 8.150 nan 0.000 0.442 8 I N -0.256 120.318 120.570 0.006 0.000 2.361 8 I HA -0.230 3.941 4.170 0.001 0.000 0.251 8 I C 1.815 177.938 176.117 0.009 0.000 1.133 8 I CA 0.970 62.274 61.300 0.008 0.000 1.413 8 I CB -0.240 37.764 38.000 0.008 0.000 1.073 8 I HN 0.260 nan 8.210 nan 0.000 0.424 9 L N 0.505 121.733 121.223 0.009 0.000 2.610 9 L HA 0.064 4.405 4.340 0.001 0.000 0.232 9 L C 1.632 178.509 176.870 0.011 0.000 1.149 9 L CA 0.625 55.471 54.840 0.009 0.000 0.872 9 L CB -0.546 41.519 42.059 0.009 0.000 0.992 9 L HN 0.517 nan 8.230 nan 0.000 0.447 10 G N 0.072 108.879 108.800 0.011 0.000 2.162 10 G HA2 -0.273 3.688 3.960 0.001 0.000 0.260 10 G HA3 -0.273 3.688 3.960 0.001 0.000 0.260 10 G C 0.122 175.031 174.900 0.015 0.000 0.976 10 G CA -0.052 45.056 45.100 0.013 0.000 0.655 10 G HN 0.460 nan 8.290 nan 0.000 0.533 11 E N -0.227 119.983 120.200 0.015 0.000 2.366 11 E HA 0.419 4.770 4.350 0.001 0.000 0.266 11 E C 0.686 177.300 176.600 0.023 0.000 1.051 11 E CA -0.622 55.789 56.400 0.019 0.000 0.884 11 E CB 1.595 31.306 29.700 0.018 0.000 1.006 11 E HN 0.103 nan 8.360 nan 0.000 0.417 12 V N 4.068 124.002 119.914 0.033 0.000 2.585 12 V HA -0.012 4.109 4.120 0.001 0.000 0.296 12 V C 0.336 176.461 176.094 0.052 0.000 1.035 12 V CA 0.206 62.535 62.300 0.048 0.000 1.084 12 V CB 0.054 31.921 31.823 0.073 0.000 0.953 12 V HN 0.456 nan 8.190 nan 0.000 0.483 13 L N 5.202 126.447 121.223 0.037 0.000 2.312 13 L HA 0.421 4.762 4.340 0.001 0.000 0.281 13 L C 0.635 177.558 176.870 0.089 0.000 1.070 13 L CA -0.366 54.495 54.840 0.036 0.000 0.805 13 L CB 0.863 42.919 42.059 -0.005 0.000 1.174 13 L HN 0.656 nan 8.230 nan 0.000 0.434 14 E N 1.707 121.968 120.200 0.101 0.000 2.392 14 E HA -0.028 4.323 4.350 0.001 0.000 0.259 14 E C 0.517 177.198 176.600 0.134 0.000 1.108 14 E CA -0.298 56.192 56.400 0.150 0.000 0.916 14 E CB 1.080 30.832 29.700 0.086 0.000 0.989 14 E HN 0.578 nan 8.360 nan 0.000 0.432 15 E N 1.418 121.743 120.200 0.209 0.000 2.136 15 E HA -0.339 4.012 4.350 0.001 0.000 0.202 15 E C 1.768 178.424 176.600 0.094 0.000 1.019 15 E CA 1.999 58.490 56.400 0.151 0.000 0.819 15 E CB 0.123 29.921 29.700 0.163 0.000 0.739 15 E HN 0.515 nan 8.360 nan 0.000 0.458 16 E N 0.537 120.778 120.200 0.069 0.000 2.106 16 E HA -0.193 4.158 4.350 0.001 0.000 0.192 16 E C 1.719 178.381 176.600 0.104 0.000 0.984 16 E CA 1.732 58.164 56.400 0.055 0.000 0.806 16 E CB -0.009 29.703 29.700 0.019 0.000 0.750 16 E HN 0.374 nan 8.360 nan 0.000 0.458 17 E N -0.150 120.097 120.200 0.077 0.000 2.072 17 E HA -0.096 4.255 4.350 0.001 0.000 0.190 17 E C 2.061 178.695 176.600 0.056 0.000 0.982 17 E CA 0.885 57.323 56.400 0.064 0.000 0.803 17 E CB -0.206 29.520 29.700 0.043 0.000 0.755 17 E HN 0.392 nan 8.360 nan 0.000 0.453 18 A N 0.769 123.614 122.820 0.040 0.000 1.940 18 A HA -0.229 4.092 4.320 0.001 0.000 0.219 18 A C 2.042 179.641 177.584 0.024 0.000 1.176 18 A CA 1.448 53.483 52.037 -0.004 0.000 0.631 18 A CB -0.740 18.224 19.000 -0.059 0.000 0.814 18 A HN 0.436 nan 8.150 nan 0.000 0.446 19 Y N 0.601 120.878 120.300 -0.039 0.000 2.200 19 Y HA -0.148 4.401 4.550 -0.001 0.000 0.290 19 Y C 2.310 178.199 175.900 -0.018 0.000 1.137 19 Y CA 2.179 60.261 58.100 -0.029 0.000 1.163 19 Y CB -0.217 38.234 38.460 -0.015 0.000 0.988 19 Y HN 0.399 nan 8.280 nan 0.000 0.518 20 E N 0.127 120.435 120.200 0.179 0.000 2.051 20 E HA -0.151 4.200 4.350 0.001 0.000 0.192 20 E C 2.131 178.719 176.600 -0.020 0.000 0.991 20 E CA 1.865 58.320 56.400 0.092 0.000 0.799 20 E CB -0.740 29.027 29.700 0.112 0.000 0.748 20 E HN 0.328 nan 8.360 nan 0.000 0.449 21 V N 0.495 120.397 119.914 -0.021 0.000 2.295 21 V HA -0.257 3.863 4.120 0.001 0.000 0.246 21 V C 2.451 178.504 176.094 -0.067 0.000 1.049 21 V CA 2.045 64.324 62.300 -0.036 0.000 1.024 21 V CB -0.543 31.260 31.823 -0.033 0.000 0.648 21 V HN 0.365 nan 8.190 nan 0.000 0.447 22 M N -0.127 119.400 119.600 -0.122 0.000 2.229 22 M HA -0.083 4.397 4.480 0.001 0.000 0.264 22 M C 2.153 178.361 176.300 -0.153 0.000 1.063 22 M CA 1.624 56.840 55.300 -0.141 0.000 1.114 22 M CB -0.846 31.634 32.600 -0.202 0.000 1.387 22 M HN 0.184 nan 8.290 nan 0.000 0.420 23 R N -0.372 119.976 120.500 -0.254 0.000 2.081 23 R HA -0.110 4.231 4.340 0.001 0.000 0.235 23 R C 1.919 178.164 176.300 -0.092 0.000 1.131 23 R CA 1.639 57.599 56.100 -0.233 0.000 0.960 23 R CB -0.436 29.688 30.300 -0.293 0.000 0.856 23 R HN 0.439 nan 8.270 nan 0.000 0.436 24 A N 1.258 124.041 122.820 -0.061 0.000 1.902 24 A HA -0.111 4.210 4.320 0.001 0.000 0.217 24 A C 2.256 179.835 177.584 -0.009 0.000 1.181 24 A CA 1.034 53.057 52.037 -0.024 0.000 0.623 24 A CB -0.522 18.470 19.000 -0.013 0.000 0.818 24 A HN 0.345 nan 8.150 nan 0.000 0.443 25 L N -0.949 120.276 121.223 0.005 0.000 2.017 25 L HA -0.214 4.126 4.340 0.001 0.000 0.208 25 L C 2.756 179.655 176.870 0.049 0.000 1.073 25 L CA 1.286 56.154 54.840 0.046 0.000 0.745 25 L CB -0.410 41.719 42.059 0.118 0.000 0.894 25 L HN 0.366 nan 8.230 nan 0.000 0.432 26 M N -0.939 118.685 119.600 0.040 0.000 2.296 26 M HA -0.086 4.394 4.480 0.001 0.000 0.265 26 M C 2.174 178.491 176.300 0.029 0.000 1.064 26 M CA 1.357 56.684 55.300 0.045 0.000 1.109 26 M CB -1.132 31.485 32.600 0.029 0.000 1.396 26 M HN 0.239 nan 8.290 nan 0.000 0.430 27 A N -0.367 122.456 122.820 0.005 0.000 2.238 27 A HA 0.406 4.727 4.320 0.001 0.000 0.208 27 A C 1.558 179.135 177.584 -0.013 0.000 1.177 27 A CA 0.724 52.761 52.037 -0.000 0.000 0.804 27 A CB -0.862 18.134 19.000 -0.007 0.000 0.823 27 A HN 0.627 nan 8.150 nan 0.000 0.482 28 G N -0.204 108.585 108.800 -0.018 0.000 2.221 28 G HA2 -0.270 3.691 3.960 0.001 0.000 0.265 28 G HA3 -0.270 3.691 3.960 0.001 0.000 0.265 28 G C 0.278 175.138 174.900 -0.066 0.000 1.041 28 G CA 0.640 45.700 45.100 -0.068 0.000 0.807 28 G HN 0.657 nan 8.290 nan 0.000 0.502 29 E N -1.361 118.817 120.200 -0.036 0.000 2.481 29 E HA 0.245 4.595 4.350 0.001 0.000 0.198 29 E C 0.561 177.146 176.600 -0.024 0.000 1.027 29 E CA 0.091 56.473 56.400 -0.029 0.000 0.900 29 E CB 0.924 30.614 29.700 -0.017 0.000 0.993 29 E HN 0.377 nan 8.360 nan 0.000 0.482 30 V N 2.294 122.194 119.914 -0.022 0.000 2.417 30 V HA 0.129 4.250 4.120 0.001 0.000 0.291 30 V C 0.348 176.430 176.094 -0.019 0.000 1.024 30 V CA -0.952 61.341 62.300 -0.012 0.000 0.861 30 V CB 1.518 33.344 31.823 0.004 0.000 0.985 30 V HN 0.163 nan 8.190 nan 0.000 0.436 31 S N 4.987 120.677 115.700 -0.016 0.000 2.573 31 S HA 0.203 4.673 4.470 0.001 0.000 0.277 31 S C -1.693 172.902 174.600 -0.008 0.000 1.346 31 S CA -0.646 57.543 58.200 -0.018 0.000 1.034 31 S CB 0.754 63.946 63.200 -0.013 0.000 0.879 31 S HN 0.557 nan 8.310 nan 0.000 0.528 32 P HA -0.094 nan 4.420 nan 0.000 0.215 32 P C 1.576 178.878 177.300 0.003 0.000 1.153 32 P CA 0.654 63.754 63.100 -0.001 0.000 0.853 32 P CB -0.108 31.591 31.700 -0.002 0.000 0.788 33 V N -0.005 119.909 119.914 0.001 0.000 2.287 33 V HA -0.268 3.853 4.120 0.001 0.000 0.248 33 V C 2.417 178.515 176.094 0.007 0.000 1.053 33 V CA 1.955 64.257 62.300 0.003 0.000 1.027 33 V CB -0.923 30.901 31.823 0.001 0.000 0.646 33 V HN 0.100 nan 8.190 nan 0.000 0.447 34 R N -0.125 120.378 120.500 0.006 0.000 2.115 34 R HA 0.012 4.352 4.340 0.001 0.000 0.226 34 R C 2.382 178.692 176.300 0.017 0.000 1.100 34 R CA 1.168 57.274 56.100 0.009 0.000 0.980 34 R CB -0.495 29.808 30.300 0.006 0.000 0.875 34 R HN 0.532 nan 8.270 nan 0.000 0.445 35 A N 1.549 124.381 122.820 0.021 0.000 1.902 35 A HA -0.087 4.234 4.320 0.001 0.000 0.217 35 A C 2.389 179.999 177.584 0.043 0.000 1.181 35 A CA 1.611 53.671 52.037 0.039 0.000 0.623 35 A CB -0.572 18.451 19.000 0.039 0.000 0.818 35 A HN 0.363 nan 8.150 nan 0.000 0.443 36 A N -0.442 122.394 122.820 0.028 0.000 1.877 36 A HA 0.124 4.445 4.320 0.001 0.000 0.216 36 A C 2.423 180.021 177.584 0.023 0.000 1.186 36 A CA 1.962 54.014 52.037 0.025 0.000 0.620 36 A CB -1.408 17.601 19.000 0.014 0.000 0.822 36 A HN 0.714 nan 8.150 nan 0.000 0.443 37 G N -0.078 108.733 108.800 0.018 0.000 2.421 37 G HA2 -0.136 3.825 3.960 0.001 0.000 0.216 37 G HA3 -0.136 3.825 3.960 0.001 0.000 0.216 37 G C 1.508 176.418 174.900 0.017 0.000 1.171 37 G CA 1.228 46.337 45.100 0.015 0.000 0.775 37 G HN 0.582 nan 8.290 nan 0.000 0.543 38 L N 0.574 121.808 121.223 0.018 0.000 2.012 38 L HA 0.004 4.345 4.340 0.001 0.000 0.210 38 L C 2.654 179.532 176.870 0.014 0.000 1.073 38 L CA 1.613 56.462 54.840 0.014 0.000 0.748 38 L CB -0.566 41.503 42.059 0.017 0.000 0.891 38 L HN 0.216 nan 8.230 nan 0.000 0.431 39 L N -1.538 119.704 121.223 0.032 0.000 2.083 39 L HA -0.178 4.163 4.340 0.001 0.000 0.209 39 L C 2.457 179.342 176.870 0.025 0.000 1.083 39 L CA 0.952 55.814 54.840 0.036 0.000 0.752 39 L CB -0.623 41.486 42.059 0.084 0.000 0.899 39 L HN 0.165 nan 8.230 nan 0.000 0.433 40 V N 0.098 120.027 119.914 0.024 0.000 2.307 40 V HA -0.276 3.845 4.120 0.001 0.000 0.245 40 V C 2.782 178.889 176.094 0.021 0.000 1.045 40 V CA 1.783 64.096 62.300 0.022 0.000 1.024 40 V CB -0.804 31.030 31.823 0.018 0.000 0.651 40 V HN 0.473 nan 8.190 nan 0.000 0.449 41 A N -0.156 122.674 122.820 0.017 0.000 1.917 41 A HA -0.197 4.124 4.320 0.001 0.000 0.219 41 A C 2.199 179.794 177.584 0.018 0.000 1.182 41 A CA 2.011 54.058 52.037 0.016 0.000 0.633 41 A CB -0.558 18.449 19.000 0.012 0.000 0.819 41 A HN 0.521 nan 8.150 nan 0.000 0.448 42 L N 0.169 121.398 121.223 0.011 0.000 2.072 42 L HA -0.143 4.198 4.340 0.001 0.000 0.205 42 L C 2.986 179.879 176.870 0.037 0.000 1.079 42 L CA 1.552 56.398 54.840 0.009 0.000 0.752 42 L CB -0.632 41.412 42.059 -0.025 0.000 0.906 42 L HN 0.617 nan 8.230 nan 0.000 0.436 43 S N -0.017 115.707 115.700 0.039 0.000 2.423 43 S HA -0.092 4.379 4.470 0.001 0.000 0.231 43 S C 1.873 176.525 174.600 0.087 0.000 1.014 43 S CA 0.765 59.009 58.200 0.072 0.000 0.965 43 S CB -0.430 62.801 63.200 0.052 0.000 0.785 43 S HN 0.382 nan 8.310 nan 0.000 0.495 44 L N 0.387 121.645 121.223 0.058 0.000 2.209 44 L HA 0.232 4.573 4.340 0.001 0.000 0.207 44 L C 3.002 179.902 176.870 0.050 0.000 1.094 44 L CA 0.886 55.757 54.840 0.051 0.000 0.790 44 L CB -0.330 41.749 42.059 0.034 0.000 0.932 44 L HN 0.312 nan 8.230 nan 0.000 0.447 45 R N 0.840 121.369 120.500 0.049 0.000 2.119 45 R HA 0.051 4.391 4.340 0.001 0.000 0.222 45 R C 0.315 176.650 176.300 0.059 0.000 1.088 45 R CA 0.802 56.928 56.100 0.044 0.000 0.984 45 R CB 0.203 30.524 30.300 0.035 0.000 0.884 45 R HN 0.273 nan 8.270 nan 0.000 0.447 46 G N 1.966 110.825 108.800 0.097 0.000 3.081 46 G HA2 -0.171 3.790 3.960 0.001 0.000 0.603 46 G HA3 -0.171 3.790 3.960 0.001 0.000 0.603 46 G C -1.298 173.695 174.900 0.155 0.000 1.106 46 G CA -0.414 44.773 45.100 0.146 0.000 1.001 46 G HN 0.347 nan 8.290 nan 0.000 0.445 47 E N 1.560 121.893 120.200 0.222 0.000 2.415 47 E HA 0.346 4.696 4.350 0.001 0.000 0.263 47 E C 1.147 177.848 176.600 0.169 0.000 0.995 47 E CA 0.312 56.791 56.400 0.132 0.000 0.915 47 E CB 0.626 30.358 29.700 0.053 0.000 0.951 47 E HN 0.613 nan 8.360 nan 0.000 0.449 48 R N 4.256 124.792 120.500 0.061 0.000 2.457 48 R HA 0.164 4.505 4.340 0.001 0.000 0.284 48 R C -1.679 174.656 176.300 0.060 0.000 1.024 48 R CA -1.859 54.299 56.100 0.096 0.000 1.025 48 R CB 0.396 30.797 30.300 0.168 0.000 1.063 48 R HN 0.369 nan 8.270 nan 0.000 0.493 49 P HA -0.275 nan 4.420 nan 0.000 0.218 49 P C 0.971 178.319 177.300 0.080 0.000 1.154 49 P CA 1.517 64.675 63.100 0.096 0.000 0.872 49 P CB -0.031 31.730 31.700 0.103 0.000 0.790 50 H N -0.744 118.335 119.070 0.016 0.000 2.395 50 H HA 0.019 4.575 4.556 0.001 0.000 0.299 50 H C 1.585 176.919 175.328 0.010 0.000 1.070 50 H CA 1.290 57.344 56.048 0.009 0.000 1.356 50 H CB -0.864 28.903 29.762 0.008 0.000 1.401 50 H HN 0.199 nan 8.280 nan 0.000 0.524 51 E N 0.847 120.644 120.200 -0.671 0.000 2.047 51 E HA -0.055 4.296 4.350 0.001 0.000 0.191 51 E C 2.590 179.068 176.600 -0.204 0.000 0.987 51 E CA 1.112 57.237 56.400 -0.458 0.000 0.799 51 E CB 0.081 29.521 29.700 -0.433 0.000 0.752 51 E HN 0.423 nan 8.360 nan 0.000 0.449 52 I N 1.195 121.672 120.570 -0.154 0.000 2.151 52 I HA -0.321 3.850 4.170 0.001 0.000 0.243 52 I C 2.582 178.643 176.117 -0.093 0.000 1.080 52 I CA 1.177 62.405 61.300 -0.121 0.000 1.339 52 I CB -0.403 37.546 38.000 -0.084 0.000 1.039 52 I HN 0.102 nan 8.210 nan 0.000 0.409 53 A N 0.700 123.488 122.820 -0.052 0.000 1.877 53 A HA -0.134 4.187 4.320 0.001 0.000 0.216 53 A C 2.557 180.141 177.584 -0.000 0.000 1.186 53 A CA 1.839 53.862 52.037 -0.024 0.000 0.620 53 A CB -0.867 18.136 19.000 0.006 0.000 0.822 53 A HN 0.440 nan 8.150 nan 0.000 0.443 54 A N -0.548 122.281 122.820 0.014 0.000 1.933 54 A HA -0.121 4.200 4.320 0.001 0.000 0.218 54 A C 2.250 179.882 177.584 0.080 0.000 1.175 54 A CA 1.814 53.903 52.037 0.086 0.000 0.628 54 A CB -0.539 18.515 19.000 0.089 0.000 0.814 54 A HN 0.538 nan 8.150 nan 0.000 0.444 55 M N -0.744 118.834 119.600 -0.037 0.000 2.254 55 M HA -0.077 4.404 4.480 0.001 0.000 0.265 55 M C 2.482 178.716 176.300 -0.110 0.000 1.066 55 M CA 1.141 56.372 55.300 -0.114 0.000 1.123 55 M CB -0.381 32.106 32.600 -0.188 0.000 1.388 55 M HN 0.485 nan 8.290 nan 0.000 0.425 56 A N 0.812 123.586 122.820 -0.078 0.000 1.933 56 A HA -0.136 4.184 4.320 0.001 0.000 0.218 56 A C 2.189 179.766 177.584 -0.012 0.000 1.175 56 A CA 1.340 53.341 52.037 -0.061 0.000 0.628 56 A CB -0.514 18.450 19.000 -0.061 0.000 0.814 56 A HN 0.425 nan 8.150 nan 0.000 0.444 57 R N -0.493 120.030 120.500 0.038 0.000 2.075 57 R HA -0.055 4.286 4.340 0.001 0.000 0.232 57 R C 2.519 178.878 176.300 0.098 0.000 1.126 57 R CA 1.167 57.332 56.100 0.108 0.000 0.963 57 R CB -0.535 29.883 30.300 0.197 0.000 0.858 57 R HN 0.498 nan 8.270 nan 0.000 0.435 58 A N 1.390 124.185 122.820 -0.042 0.000 1.883 58 A HA -0.187 4.134 4.320 0.001 0.000 0.217 58 A C 2.242 179.742 177.584 -0.140 0.000 1.186 58 A CA 1.428 53.253 52.037 -0.354 0.000 0.624 58 A CB -0.450 18.157 19.000 -0.655 0.000 0.822 58 A HN 0.184 nan 8.150 nan 0.000 0.444 59 M N -1.262 118.292 119.600 -0.075 0.000 2.067 59 M HA -0.180 4.300 4.480 0.001 0.000 0.260 59 M C 2.485 178.831 176.300 0.077 0.000 1.069 59 M CA 1.767 57.068 55.300 0.002 0.000 1.117 59 M CB -0.397 32.191 32.600 -0.020 0.000 1.334 59 M HN 0.387 nan 8.290 nan 0.000 0.407 60 R N -0.097 120.443 120.500 0.067 0.000 2.096 60 R HA -0.228 4.113 4.340 0.001 0.000 0.240 60 R C 2.073 178.418 176.300 0.076 0.000 1.139 60 R CA 1.918 58.069 56.100 0.085 0.000 0.952 60 R CB -0.575 29.754 30.300 0.049 0.000 0.854 60 R HN 0.499 nan 8.270 nan 0.000 0.436 61 E N 0.292 120.532 120.200 0.068 0.000 2.204 61 E HA -0.154 4.197 4.350 0.001 0.000 0.195 61 E C 1.619 178.254 176.600 0.058 0.000 0.990 61 E CA 1.054 57.496 56.400 0.070 0.000 0.821 61 E CB 0.055 29.820 29.700 0.108 0.000 0.750 61 E HN 0.409 nan 8.360 nan 0.000 0.477 62 A N 0.689 123.542 122.820 0.055 0.000 2.132 62 A HA 0.349 4.670 4.320 0.001 0.000 0.213 62 A C 1.204 178.837 177.584 0.083 0.000 1.154 62 A CA 0.559 52.630 52.037 0.057 0.000 0.753 62 A CB -0.142 18.885 19.000 0.046 0.000 0.826 62 A HN 0.323 nan 8.150 nan 0.000 0.469 63 A N -0.005 122.882 122.820 0.112 0.000 2.366 63 A HA 0.414 4.735 4.320 0.001 0.000 0.250 63 A C 0.668 178.274 177.584 0.037 0.000 1.099 63 A CA -0.342 51.740 52.037 0.076 0.000 0.794 63 A CB -0.077 18.943 19.000 0.033 0.000 1.056 63 A HN 0.515 nan 8.150 nan 0.000 0.499 64 R N 0.827 121.337 120.500 0.016 0.000 2.421 64 R HA 0.250 4.591 4.340 0.001 0.000 0.305 64 R C -2.398 173.950 176.300 0.080 0.000 1.039 64 R CA -1.166 54.942 56.100 0.013 0.000 1.003 64 R CB -0.011 30.235 30.300 -0.090 0.000 0.959 64 R HN 0.429 nan 8.270 nan 0.000 0.427 65 P HA -0.010 nan 4.420 nan 0.000 0.265 65 P C -1.371 175.972 177.300 0.070 0.000 1.193 65 P CA -0.006 63.120 63.100 0.044 0.000 0.765 65 P CB 0.625 32.338 31.700 0.023 0.000 0.823 66 L N 2.477 123.732 121.223 0.053 0.000 2.614 66 L HA 0.497 4.838 4.340 0.001 0.000 0.264 66 L C -0.992 175.863 176.870 -0.026 0.000 0.940 66 L CA -0.581 54.288 54.840 0.049 0.000 0.903 66 L CB 1.847 43.993 42.059 0.146 0.000 1.306 66 L HN 0.252 nan 8.230 nan 0.000 0.410 67 R N 4.057 124.529 120.500 -0.047 0.000 2.514 67 R HA 0.900 5.240 4.340 0.001 0.000 0.301 67 R C -1.907 174.301 176.300 -0.154 0.000 0.962 67 R CA -0.601 55.434 56.100 -0.109 0.000 0.882 67 R CB 1.977 32.201 30.300 -0.126 0.000 1.143 67 R HN 0.566 nan 8.270 nan 0.000 0.452 68 V N 3.915 123.720 119.914 -0.182 0.000 2.709 68 V HA 0.236 4.357 4.120 0.001 0.000 0.308 68 V C -0.040 175.935 176.094 -0.199 0.000 1.062 68 V CA -0.593 61.610 62.300 -0.163 0.000 0.901 68 V CB 1.962 33.727 31.823 -0.096 0.000 1.003 68 V HN 0.951 nan 8.190 nan 0.000 0.425 69 H N 2.010 121.073 119.070 -0.012 0.000 2.448 69 H HA 0.194 4.751 4.556 0.002 0.000 0.292 69 H C 0.757 176.076 175.328 -0.016 0.000 1.035 69 H CA 0.275 56.317 56.048 -0.009 0.000 1.349 69 H CB 0.225 29.986 29.762 -0.000 0.000 1.425 69 H HN 0.295 nan 8.280 nan 0.000 0.539 70 R N 2.355 122.911 120.500 0.093 0.000 2.504 70 R HA 0.074 4.415 4.340 0.001 0.000 0.291 70 R C -0.141 176.163 176.300 0.007 0.000 0.974 70 R CA 0.504 56.627 56.100 0.039 0.000 1.077 70 R CB 0.049 30.355 30.300 0.010 0.000 0.926 70 R HN 0.313 nan 8.270 nan 0.000 0.407 71 R N 2.594 123.100 120.500 0.009 0.000 2.604 71 R HA 0.374 4.715 4.340 0.001 0.000 0.270 71 R C -2.245 174.055 176.300 -0.001 0.000 1.052 71 R CA -1.655 54.442 56.100 -0.006 0.000 0.902 71 R CB 1.657 31.959 30.300 0.003 0.000 1.233 71 R HN 0.503 nan 8.270 nan 0.000 0.455 72 P HA 0.248 nan 4.420 nan 0.000 0.274 72 P C -0.836 176.433 177.300 -0.052 0.000 1.231 72 P CA -0.609 62.473 63.100 -0.030 0.000 0.790 72 P CB 0.912 32.596 31.700 -0.028 0.000 0.951 73 L N 3.096 124.265 121.223 -0.090 0.000 2.316 73 L HA 0.384 4.725 4.340 0.001 0.000 0.280 73 L C -0.724 176.018 176.870 -0.213 0.000 1.006 73 L CA -0.937 53.824 54.840 -0.132 0.000 0.836 73 L CB 0.857 42.834 42.059 -0.136 0.000 1.221 73 L HN 0.322 nan 8.230 nan 0.000 0.418 74 L N 4.549 125.650 121.223 -0.202 0.000 2.343 74 L HA 0.690 5.030 4.340 0.001 0.000 0.275 74 L C -0.993 175.695 176.870 -0.303 0.000 1.056 74 L CA 0.291 54.973 54.840 -0.263 0.000 0.804 74 L CB 1.471 43.434 42.059 -0.161 0.000 1.203 74 L HN 0.697 nan 8.230 nan 0.000 0.440 75 D N 3.264 123.428 120.400 -0.393 0.000 2.879 75 D HA 0.440 5.081 4.640 0.001 0.000 0.236 75 D C -1.343 174.902 176.300 -0.091 0.000 1.171 75 D CA -0.120 53.730 54.000 -0.250 0.000 0.868 75 D CB 1.528 42.150 40.800 -0.296 0.000 1.598 75 D HN 0.499 nan 8.370 nan 0.000 0.497 76 I N 3.508 124.082 120.570 0.007 0.000 2.464 76 I HA 0.365 4.536 4.170 0.001 0.000 0.277 76 I C -0.634 175.541 176.117 0.097 0.000 1.040 76 I CA -0.883 60.450 61.300 0.055 0.000 1.153 76 I CB 1.669 39.684 38.000 0.026 0.000 1.274 76 I HN 0.073 nan 8.210 nan 0.000 0.469 77 V N 4.988 124.981 119.914 0.131 0.000 3.078 77 V HA 0.932 5.053 4.120 0.001 0.000 0.311 77 V C -0.327 175.826 176.094 0.100 0.000 1.138 77 V CA -0.182 62.192 62.300 0.124 0.000 1.007 77 V CB 2.338 34.256 31.823 0.159 0.000 1.045 77 V HN 0.673 nan 8.190 nan 0.000 0.432 78 G N 1.042 109.888 108.800 0.077 0.000 2.569 78 G HA2 0.487 4.448 3.960 0.001 0.000 0.300 78 G HA3 0.487 4.448 3.960 0.001 0.000 0.300 78 G C 0.599 175.535 174.900 0.059 0.000 1.269 78 G CA 0.255 45.397 45.100 0.070 0.000 0.959 78 G HN 1.168 nan 8.290 nan 0.000 0.478 79 T N -2.088 112.513 114.554 0.077 0.000 3.085 79 T HA 0.387 4.738 4.350 0.001 0.000 0.263 79 T C 1.544 176.317 174.700 0.122 0.000 1.127 79 T CA 1.129 63.284 62.100 0.092 0.000 1.103 79 T CB -0.557 68.395 68.868 0.139 0.000 0.921 79 T HN 2.302 nan 8.240 nan 0.000 0.510 80 G N 0.887 109.759 108.800 0.121 0.000 2.697 80 G HA2 0.218 4.179 3.960 0.001 0.000 0.240 80 G HA3 0.218 4.179 3.960 0.001 0.000 0.240 80 G C 0.712 175.666 174.900 0.089 0.000 1.346 80 G CA 0.026 45.178 45.100 0.087 0.000 0.887 80 G HN 1.681 nan 8.290 nan 0.000 0.569 81 G N -1.099 107.704 108.800 0.006 0.000 2.283 81 G HA2 -0.081 3.879 3.960 0.001 0.000 0.280 81 G HA3 -0.081 3.879 3.960 0.001 0.000 0.280 81 G C 0.742 175.612 174.900 -0.049 0.000 1.029 81 G CA 1.527 46.575 45.100 -0.087 0.000 0.840 81 G HN 2.268 nan 8.290 nan 0.000 0.505 82 D N -1.066 119.384 120.400 0.082 0.000 2.323 82 D HA 0.334 4.974 4.640 0.001 0.000 0.209 82 D C 1.701 178.052 176.300 0.085 0.000 0.973 82 D CA 0.801 54.895 54.000 0.156 0.000 0.874 82 D CB -0.480 40.428 40.800 0.178 0.000 0.930 82 D HN 1.538 nan 8.370 nan 0.000 0.521 83 G N 0.523 109.345 108.800 0.036 0.000 2.370 83 G HA2 -0.315 3.646 3.960 0.001 0.000 0.295 83 G HA3 -0.315 3.646 3.960 0.001 0.000 0.295 83 G C 0.507 175.427 174.900 0.032 0.000 1.045 83 G CA 0.524 45.637 45.100 0.021 0.000 1.199 83 G HN 0.462 nan 8.290 nan 0.000 0.513 84 K N -0.972 119.447 120.400 0.031 0.000 2.705 84 K HA 0.350 4.671 4.320 0.001 0.000 0.197 84 K C 1.454 178.066 176.600 0.021 0.000 1.624 84 K CA 0.125 56.429 56.287 0.028 0.000 1.197 84 K CB 0.916 33.436 32.500 0.033 0.000 1.603 84 K HN 1.603 nan 8.250 nan 0.000 0.597 85 G N 2.907 111.720 108.800 0.022 0.000 2.324 85 G HA2 -0.221 3.740 3.960 0.001 0.000 0.292 85 G HA3 -0.221 3.740 3.960 0.001 0.000 0.292 85 G C -0.380 174.529 174.900 0.016 0.000 1.079 85 G CA -0.003 45.108 45.100 0.018 0.000 1.026 85 G HN -0.021 nan 8.290 nan 0.000 0.506 86 L N -0.328 120.906 121.223 0.018 0.000 2.416 86 L HA 0.642 4.983 4.340 0.001 0.000 0.262 86 L C 1.287 178.166 176.870 0.014 0.000 1.093 86 L CA -0.926 53.922 54.840 0.013 0.000 0.801 86 L CB 0.893 42.959 42.059 0.011 0.000 1.191 86 L HN 0.408 nan 8.230 nan 0.000 0.459 87 M N 2.634 122.240 119.600 0.010 0.000 2.268 87 M HA 0.015 4.496 4.480 0.001 0.000 0.349 87 M C 0.245 176.554 176.300 0.015 0.000 1.485 87 M CA 0.086 55.392 55.300 0.010 0.000 1.094 87 M CB 0.024 32.627 32.600 0.004 0.000 1.843 87 M HN 0.590 nan 8.290 nan 0.000 0.460 88 N N 5.773 124.485 118.700 0.020 0.000 2.423 88 N HA -0.009 4.731 4.740 0.001 0.000 0.275 88 N C 0.069 175.593 175.510 0.024 0.000 1.283 88 N CA 0.309 53.377 53.050 0.030 0.000 0.932 88 N CB 0.349 38.861 38.487 0.042 0.000 1.185 88 N HN 0.835 nan 8.380 nan 0.000 0.483 89 L N 2.664 123.901 121.223 0.023 0.000 2.585 89 L HA -0.025 4.316 4.340 0.001 0.000 0.226 89 L C 2.322 179.206 176.870 0.023 0.000 1.113 89 L CA 0.053 54.903 54.840 0.016 0.000 0.876 89 L CB -0.191 41.874 42.059 0.011 0.000 1.072 89 L HN 0.541 nan 8.230 nan 0.000 0.468 90 S N -0.834 114.890 115.700 0.039 0.000 2.370 90 S HA -0.212 4.259 4.470 0.001 0.000 0.226 90 S C 1.932 176.572 174.600 0.067 0.000 1.033 90 S CA 1.873 60.105 58.200 0.052 0.000 1.011 90 S CB -0.741 62.503 63.200 0.074 0.000 0.852 90 S HN 0.342 nan 8.310 nan 0.000 0.457 91 T N 3.201 117.802 114.554 0.078 0.000 2.720 91 T HA 0.060 4.411 4.350 0.001 0.000 0.268 91 T C 1.737 176.461 174.700 0.039 0.000 1.037 91 T CA 1.681 63.837 62.100 0.092 0.000 1.144 91 T CB -0.557 68.338 68.868 0.044 0.000 0.864 91 T HN 0.377 nan 8.240 nan 0.000 0.444 92 L N 0.622 121.848 121.223 0.005 0.000 2.156 92 L HA 0.037 4.378 4.340 0.001 0.000 0.208 92 L C 3.032 179.886 176.870 -0.026 0.000 1.095 92 L CA 0.976 55.803 54.840 -0.022 0.000 0.770 92 L CB -0.698 41.352 42.059 -0.015 0.000 0.914 92 L HN 0.222 nan 8.230 nan 0.000 0.439 93 A N 0.296 123.107 122.820 -0.015 0.000 1.969 93 A HA -0.059 4.262 4.320 0.001 0.000 0.218 93 A C 2.569 180.114 177.584 -0.064 0.000 1.169 93 A CA 1.472 53.484 52.037 -0.043 0.000 0.635 93 A CB -0.499 18.480 19.000 -0.034 0.000 0.810 93 A HN 0.367 nan 8.150 nan 0.000 0.445 94 A N 0.006 122.827 122.820 0.003 0.000 1.858 94 A HA -0.053 4.268 4.320 0.001 0.000 0.216 94 A C 2.146 179.765 177.584 0.058 0.000 1.190 94 A CA 1.484 53.563 52.037 0.070 0.000 0.617 94 A CB -0.676 18.459 19.000 0.225 0.000 0.827 94 A HN 0.455 nan 8.150 nan 0.000 0.443 95 L N -0.460 120.729 121.223 -0.057 0.000 2.079 95 L HA -0.181 4.160 4.340 0.001 0.000 0.210 95 L C 2.529 179.327 176.870 -0.119 0.000 1.081 95 L CA 1.083 55.768 54.840 -0.259 0.000 0.752 95 L CB -0.516 41.342 42.059 -0.334 0.000 0.896 95 L HN 0.260 nan 8.230 nan 0.000 0.433 96 V N -0.139 119.732 119.914 -0.072 0.000 2.358 96 V HA -0.278 3.843 4.120 0.001 0.000 0.246 96 V C 2.715 178.798 176.094 -0.020 0.000 1.047 96 V CA 1.784 64.072 62.300 -0.020 0.000 1.035 96 V CB -0.783 31.030 31.823 -0.018 0.000 0.658 96 V HN 0.484 nan 8.190 nan 0.000 0.452 97 A N -0.011 122.690 122.820 -0.198 0.000 1.877 97 A HA -0.109 4.212 4.320 0.001 0.000 0.216 97 A C 2.421 180.012 177.584 0.012 0.000 1.186 97 A CA 2.081 53.886 52.037 -0.386 0.000 0.620 97 A CB -0.799 17.940 19.000 -0.435 0.000 0.822 97 A HN 0.561 nan 8.150 nan 0.000 0.443 98 A N -0.189 122.657 122.820 0.043 0.000 1.902 98 A HA 0.181 4.501 4.320 0.001 0.000 0.217 98 A C 2.470 180.111 177.584 0.095 0.000 1.181 98 A CA 1.993 54.091 52.037 0.102 0.000 0.623 98 A CB -0.962 18.148 19.000 0.182 0.000 0.818 98 A HN 1.080 nan 8.150 nan 0.000 0.443 99 A N -0.613 122.247 122.820 0.067 0.000 2.019 99 A HA 0.166 4.487 4.320 0.001 0.000 0.219 99 A C 2.135 179.798 177.584 0.132 0.000 1.164 99 A CA 1.586 53.665 52.037 0.070 0.000 0.644 99 A CB -1.017 18.010 19.000 0.045 0.000 0.805 99 A HN 0.791 nan 8.150 nan 0.000 0.449 100 G N -1.992 106.964 108.800 0.260 0.000 3.026 100 G HA2 0.372 4.333 3.960 0.001 0.000 0.208 100 G HA3 0.372 4.333 3.960 0.001 0.000 0.208 100 G C 1.047 176.075 174.900 0.214 0.000 1.169 100 G CA 0.489 45.771 45.100 0.304 0.000 0.788 100 G HN 1.612 nan 8.290 nan 0.000 0.533 101 G N -1.572 107.336 108.800 0.179 0.000 2.159 101 G HA2 -0.205 3.756 3.960 0.001 0.000 0.227 101 G HA3 -0.205 3.756 3.960 0.001 0.000 0.227 101 G C 0.034 175.015 174.900 0.134 0.000 0.986 101 G CA 0.015 45.187 45.100 0.120 0.000 0.651 101 G HN 0.686 nan 8.290 nan 0.000 0.523 102 V N 1.357 121.379 119.914 0.181 0.000 2.398 102 V HA 0.763 4.884 4.120 0.001 0.000 0.286 102 V C 0.937 177.066 176.094 0.059 0.000 1.026 102 V CA -0.393 61.980 62.300 0.122 0.000 0.868 102 V CB 1.431 33.336 31.823 0.136 0.000 0.982 102 V HN 1.130 nan 8.190 nan 0.000 0.443 103 A N 5.197 128.031 122.820 0.023 0.000 2.488 103 A HA 0.537 4.858 4.320 0.001 0.000 0.249 103 A C -0.263 177.291 177.584 -0.051 0.000 1.083 103 A CA 0.074 52.106 52.037 -0.009 0.000 0.768 103 A CB 0.180 19.167 19.000 -0.022 0.000 1.017 103 A HN 0.707 nan 8.150 nan 0.000 0.496 104 V N 1.562 121.433 119.914 -0.073 0.000 2.656 104 V HA 0.698 4.819 4.120 0.001 0.000 0.307 104 V C 0.211 176.114 176.094 -0.318 0.000 1.051 104 V CA 0.030 62.244 62.300 -0.144 0.000 0.893 104 V CB 1.924 33.739 31.823 -0.013 0.000 0.999 104 V HN 1.270 nan 8.190 nan 0.000 0.426 105 A N 3.948 126.578 122.820 -0.316 0.000 2.763 105 A HA 0.519 4.840 4.320 0.001 0.000 0.325 105 A C -0.308 177.091 177.584 -0.307 0.000 1.209 105 A CA -0.537 51.278 52.037 -0.371 0.000 0.764 105 A CB 0.482 19.298 19.000 -0.307 0.000 1.120 105 A HN 0.517 nan 8.150 nan 0.000 0.463 106 K N 2.295 122.510 120.400 -0.308 0.000 2.316 106 K HA 0.106 4.427 4.320 0.001 0.000 0.289 106 K C -0.654 175.892 176.600 -0.090 0.000 1.070 106 K CA -0.057 56.181 56.287 -0.081 0.000 0.928 106 K CB -0.116 32.457 32.500 0.120 0.000 1.039 106 K HN 0.878 nan 8.250 nan 0.000 0.480 107 H N 2.124 121.099 119.070 -0.159 0.000 2.722 107 H HA 0.363 4.919 4.556 0.001 0.000 0.328 107 H C -0.052 175.223 175.328 -0.089 0.000 1.067 107 H CA -0.268 55.659 56.048 -0.202 0.000 1.447 107 H CB 0.854 30.567 29.762 -0.083 0.000 1.469 107 H HN 0.838 nan 8.280 nan 0.000 0.544 108 G N 3.501 112.208 108.800 -0.155 0.000 2.687 108 G HA2 0.191 4.152 3.960 0.001 0.000 0.291 108 G HA3 0.191 4.152 3.960 0.001 0.000 0.291 108 G C -1.549 173.485 174.900 0.224 0.000 1.420 108 G CA -0.623 44.559 45.100 0.137 0.000 0.796 108 G HN 0.649 nan 8.290 nan 0.000 0.485 109 N N -1.198 117.740 118.700 0.396 0.000 3.277 109 N HA 0.386 5.127 4.740 0.001 0.000 0.278 109 N C -1.069 174.691 175.510 0.418 0.000 1.544 109 N CA -0.668 52.616 53.050 0.390 0.000 0.869 109 N CB 2.008 40.566 38.487 0.119 0.000 1.584 109 N HN 0.470 nan 8.380 nan 0.000 0.564 110 R N 0.184 120.907 120.500 0.372 0.000 2.536 110 R HA 0.643 4.983 4.340 0.001 0.000 0.279 110 R C -0.449 175.933 176.300 0.137 0.000 1.001 110 R CA -0.693 55.558 56.100 0.252 0.000 1.027 110 R CB 1.086 31.546 30.300 0.267 0.000 1.096 110 R HN 0.581 nan 8.270 nan 0.000 0.502 111 A N 1.862 124.738 122.820 0.094 0.000 2.396 111 A HA 0.325 4.646 4.320 0.001 0.000 0.279 111 A C 0.351 177.961 177.584 0.043 0.000 1.165 111 A CA -0.237 51.835 52.037 0.058 0.000 0.824 111 A CB 0.226 19.252 19.000 0.043 0.000 1.100 111 A HN 0.823 nan 8.150 nan 0.000 0.516 112 A N 3.493 126.330 122.820 0.028 0.000 2.509 112 A HA 0.358 4.679 4.320 0.001 0.000 0.282 112 A C 1.218 178.810 177.584 0.013 0.000 1.159 112 A CA 0.925 52.971 52.037 0.014 0.000 0.863 112 A CB -1.229 17.769 19.000 -0.003 0.000 1.029 112 A HN 1.922 nan 8.150 nan 0.000 0.542 113 S N 0.934 116.645 115.700 0.018 0.000 3.521 113 S HA -0.182 4.289 4.470 0.001 0.000 0.362 113 S C 1.162 175.770 174.600 0.013 0.000 1.044 113 S CA 1.255 59.464 58.200 0.014 0.000 1.091 113 S CB -1.397 61.807 63.200 0.007 0.000 0.908 113 S HN 1.406 nan 8.310 nan 0.000 0.473 114 S N -0.249 115.462 115.700 0.017 0.000 2.628 114 S HA 0.257 4.728 4.470 0.001 0.000 0.246 114 S C 0.782 175.392 174.600 0.016 0.000 1.062 114 S CA 0.468 58.677 58.200 0.015 0.000 1.028 114 S CB 0.086 63.294 63.200 0.015 0.000 0.985 114 S HN 0.554 nan 8.310 nan 0.000 0.551 115 R N -0.065 120.448 120.500 0.022 0.000 4.000 115 R HA -0.208 4.133 4.340 0.001 0.000 0.348 115 R C 0.644 176.953 176.300 0.016 0.000 1.204 115 R CA 0.839 56.951 56.100 0.019 0.000 0.987 115 R CB -2.180 28.126 30.300 0.010 0.000 1.446 115 R HN 0.381 nan 8.270 nan 0.000 0.555 116 A N 0.604 123.436 122.820 0.021 0.000 2.507 116 A HA 0.440 4.761 4.320 0.001 0.000 0.270 116 A C 0.894 178.496 177.584 0.030 0.000 1.318 116 A CA 0.390 52.439 52.037 0.019 0.000 0.924 116 A CB 0.410 19.421 19.000 0.018 0.000 1.061 116 A HN 0.335 nan 8.150 nan 0.000 0.516 117 G N -0.791 108.034 108.800 0.041 0.000 2.425 117 G HA2 0.404 4.364 3.960 0.001 0.000 0.302 117 G HA3 0.404 4.364 3.960 0.001 0.000 0.302 117 G C 1.059 175.992 174.900 0.055 0.000 1.159 117 G CA 0.387 45.529 45.100 0.069 0.000 0.865 117 G HN 0.505 nan 8.290 nan 0.000 0.515 118 S N 1.103 116.858 115.700 0.092 0.000 2.372 118 S HA -0.244 4.227 4.470 0.001 0.000 0.227 118 S C 2.611 177.132 174.600 -0.132 0.000 1.044 118 S CA 1.766 59.991 58.200 0.042 0.000 1.050 118 S CB -0.668 62.660 63.200 0.215 0.000 0.901 118 S HN 1.067 nan 8.310 nan 0.000 0.447 119 A N 2.800 125.636 122.820 0.027 0.000 1.883 119 A HA -0.190 4.131 4.320 0.001 0.000 0.217 119 A C 2.017 179.486 177.584 -0.193 0.000 1.186 119 A CA 1.838 53.793 52.037 -0.137 0.000 0.624 119 A CB -1.070 18.020 19.000 0.151 0.000 0.822 119 A HN 0.534 nan 8.150 nan 0.000 0.444 120 D N -0.466 119.895 120.400 -0.065 0.000 2.133 120 D HA -0.162 4.478 4.640 0.001 0.000 0.195 120 D C 1.859 178.111 176.300 -0.080 0.000 0.997 120 D CA 1.582 55.549 54.000 -0.056 0.000 0.840 120 D CB -0.432 40.365 40.800 -0.006 0.000 0.947 120 D HN 0.372 nan 8.370 nan 0.000 0.452 121 L N 0.706 121.877 121.223 -0.087 0.000 2.027 121 L HA -0.080 4.261 4.340 0.001 0.000 0.206 121 L C 2.301 179.102 176.870 -0.115 0.000 1.074 121 L CA 1.258 56.048 54.840 -0.083 0.000 0.745 121 L CB -0.526 41.492 42.059 -0.068 0.000 0.898 121 L HN -0.015 nan 8.230 nan 0.000 0.433 122 L N -0.609 120.492 121.223 -0.203 0.000 2.046 122 L HA -0.223 4.118 4.340 0.001 0.000 0.208 122 L C 2.591 179.380 176.870 -0.135 0.000 1.077 122 L CA 1.711 56.427 54.840 -0.207 0.000 0.747 122 L CB -0.596 41.218 42.059 -0.408 0.000 0.896 122 L HN 0.439 nan 8.230 nan 0.000 0.432 123 E N 0.476 120.581 120.200 -0.160 0.000 2.058 123 E HA -0.273 4.078 4.350 0.001 0.000 0.194 123 E C 2.165 178.726 176.600 -0.066 0.000 0.997 123 E CA 1.321 57.654 56.400 -0.110 0.000 0.801 123 E CB -0.056 29.568 29.700 -0.127 0.000 0.746 123 E HN 0.453 nan 8.360 nan 0.000 0.450 124 A N 0.639 123.422 122.820 -0.060 0.000 2.076 124 A HA -0.123 4.198 4.320 0.001 0.000 0.220 124 A C 1.991 179.563 177.584 -0.020 0.000 1.160 124 A CA 0.974 52.990 52.037 -0.034 0.000 0.653 124 A CB -0.379 18.602 19.000 -0.030 0.000 0.801 124 A HN 0.334 nan 8.150 nan 0.000 0.455 125 L N -2.109 119.099 121.223 -0.025 0.000 2.607 125 L HA 0.267 4.608 4.340 0.001 0.000 0.228 125 L C 1.559 178.429 176.870 -0.000 0.000 1.123 125 L CA 0.570 55.410 54.840 -0.000 0.000 0.890 125 L CB 0.154 42.213 42.059 0.001 0.000 1.103 125 L HN 0.557 nan 8.230 nan 0.000 0.468 126 G N -0.325 108.467 108.800 -0.013 0.000 2.205 126 G HA2 -0.203 3.758 3.960 0.001 0.000 0.180 126 G HA3 -0.203 3.758 3.960 0.001 0.000 0.180 126 G C 0.112 175.003 174.900 -0.015 0.000 1.004 126 G CA -0.388 44.705 45.100 -0.013 0.000 0.670 126 G HN 0.002 nan 8.290 nan 0.000 0.496 127 V N 2.332 122.240 119.914 -0.010 0.000 2.415 127 V HA 0.341 4.462 4.120 0.001 0.000 0.267 127 V C 0.448 176.528 176.094 -0.023 0.000 1.042 127 V CA -0.056 62.249 62.300 0.008 0.000 1.000 127 V CB 1.382 33.239 31.823 0.057 0.000 1.015 127 V HN 0.383 nan 8.190 nan 0.000 0.478 128 D N 5.088 125.473 120.400 -0.024 0.000 2.383 128 D HA 0.084 4.724 4.640 0.001 0.000 0.245 128 D C 1.014 177.316 176.300 0.004 0.000 1.263 128 D CA 0.032 54.020 54.000 -0.020 0.000 0.936 128 D CB 0.735 41.523 40.800 -0.021 0.000 1.053 128 D HN 0.492 nan 8.370 nan 0.000 0.507 129 L N 2.764 123.966 121.223 -0.035 0.000 2.549 129 L HA -0.069 4.272 4.340 0.001 0.000 0.230 129 L C 1.760 178.687 176.870 0.094 0.000 1.162 129 L CA 0.700 55.512 54.840 -0.045 0.000 0.834 129 L CB -0.178 41.656 42.059 -0.375 0.000 0.947 129 L HN 0.438 nan 8.230 nan 0.000 0.452 130 E N 0.551 120.792 120.200 0.068 0.000 2.442 130 E HA 0.092 4.443 4.350 0.001 0.000 0.195 130 E C 1.047 177.682 176.600 0.059 0.000 1.030 130 E CA -0.007 56.439 56.400 0.077 0.000 0.869 130 E CB 0.173 29.898 29.700 0.043 0.000 0.857 130 E HN 0.421 nan 8.360 nan 0.000 0.505 131 A N 3.933 126.791 122.820 0.063 0.000 2.580 131 A HA 0.014 4.335 4.320 0.001 0.000 0.244 131 A C -1.901 175.710 177.584 0.045 0.000 1.045 131 A CA -0.821 51.249 52.037 0.055 0.000 0.761 131 A CB -0.319 18.726 19.000 0.075 0.000 0.962 131 A HN 0.001 nan 8.150 nan 0.000 0.512 132 P HA 0.119 nan 4.420 nan 0.000 0.270 132 P C -2.214 175.070 177.300 -0.027 0.000 1.223 132 P CA -1.261 61.819 63.100 -0.032 0.000 0.785 132 P CB 0.094 31.781 31.700 -0.022 0.000 0.923 133 P HA -0.196 nan 4.420 nan 0.000 0.216 133 P C 1.604 178.960 177.300 0.092 0.000 1.153 133 P CA 1.584 64.638 63.100 -0.076 0.000 0.858 133 P CB -0.067 31.477 31.700 -0.260 0.000 0.789 134 E N -0.335 119.894 120.200 0.048 0.000 2.085 134 E HA -0.285 4.066 4.350 0.001 0.000 0.194 134 E C 2.217 178.884 176.600 0.113 0.000 0.994 134 E CA 1.132 57.576 56.400 0.073 0.000 0.801 134 E CB -0.189 29.538 29.700 0.045 0.000 0.743 134 E HN -0.130 nan 8.360 nan 0.000 0.453 135 R N 0.255 120.824 120.500 0.115 0.000 2.092 135 R HA -0.072 4.269 4.340 0.001 0.000 0.231 135 R C 2.179 178.628 176.300 0.248 0.000 1.119 135 R CA 1.271 57.477 56.100 0.177 0.000 0.970 135 R CB -0.585 29.791 30.300 0.127 0.000 0.864 135 R HN 0.144 nan 8.270 nan 0.000 0.440 136 V N -0.208 119.835 119.914 0.216 0.000 2.358 136 V HA -0.106 4.015 4.120 0.001 0.000 0.246 136 V C 2.247 178.448 176.094 0.178 0.000 1.047 136 V CA 2.020 64.469 62.300 0.248 0.000 1.035 136 V CB -1.057 30.949 31.823 0.306 0.000 0.658 136 V HN 0.602 nan 8.190 nan 0.000 0.452 137 G N -0.406 108.486 108.800 0.154 0.000 2.446 137 G HA2 -0.256 3.705 3.960 0.001 0.000 0.217 137 G HA3 -0.256 3.705 3.960 0.001 0.000 0.217 137 G C 1.442 176.399 174.900 0.096 0.000 1.168 137 G CA 0.939 46.094 45.100 0.092 0.000 0.771 137 G HN 0.570 nan 8.290 nan 0.000 0.551 138 E N 0.514 120.808 120.200 0.156 0.000 2.118 138 E HA -0.093 4.258 4.350 0.001 0.000 0.195 138 E C 2.889 179.560 176.600 0.118 0.000 0.992 138 E CA 0.801 57.325 56.400 0.207 0.000 0.804 138 E CB -0.187 29.708 29.700 0.325 0.000 0.741 138 E HN 0.439 nan 8.360 nan 0.000 0.458 139 A N 1.024 123.844 122.820 0.000 0.000 1.930 139 A HA -0.154 4.167 4.320 0.001 0.000 0.217 139 A C 2.152 179.639 177.584 -0.161 0.000 1.175 139 A CA 0.978 52.772 52.037 -0.405 0.000 0.627 139 A CB -0.487 18.460 19.000 -0.088 0.000 0.815 139 A HN 0.133 nan 8.150 nan 0.000 0.443 140 I N -0.231 120.308 120.570 -0.051 0.000 2.179 140 I HA -0.220 3.951 4.170 0.001 0.000 0.242 140 I C 2.453 178.552 176.117 -0.030 0.000 1.088 140 I CA 1.303 62.565 61.300 -0.064 0.000 1.357 140 I CB -0.394 37.559 38.000 -0.080 0.000 1.051 140 I HN 0.323 nan 8.210 nan 0.000 0.409 141 E N 0.888 121.092 120.200 0.007 0.000 2.051 141 E HA -0.216 4.135 4.350 0.001 0.000 0.192 141 E C 2.031 178.650 176.600 0.032 0.000 0.991 141 E CA 1.390 57.815 56.400 0.043 0.000 0.799 141 E CB -0.211 29.543 29.700 0.090 0.000 0.748 141 E HN 0.609 nan 8.360 nan 0.000 0.449 142 E N 0.183 120.392 120.200 0.016 0.000 2.086 142 E HA 0.037 4.388 4.350 0.001 0.000 0.190 142 E C 2.200 178.789 176.600 -0.017 0.000 0.975 142 E CA 0.414 56.830 56.400 0.026 0.000 0.813 142 E CB 0.179 29.943 29.700 0.108 0.000 0.768 142 E HN 0.148 nan 8.360 nan 0.000 0.457 143 L N -1.002 120.161 121.223 -0.100 0.000 2.463 143 L HA 0.256 4.597 4.340 0.001 0.000 0.219 143 L C 1.400 178.276 176.870 0.011 0.000 1.088 143 L CA 0.462 55.271 54.840 -0.051 0.000 0.849 143 L CB 0.289 42.289 42.059 -0.098 0.000 1.012 143 L HN 0.315 nan 8.230 nan 0.000 0.468 144 G N 0.690 109.492 108.800 0.004 0.000 2.141 144 G HA2 -0.324 3.636 3.960 0.001 0.000 0.242 144 G HA3 -0.324 3.636 3.960 0.001 0.000 0.242 144 G C -0.176 174.763 174.900 0.065 0.000 0.982 144 G CA 0.091 45.208 45.100 0.027 0.000 0.662 144 G HN 0.242 nan 8.290 nan 0.000 0.527 145 F N 0.019 119.887 119.950 -0.136 0.000 2.608 145 F HA 0.638 5.166 4.527 0.002 0.000 0.309 145 F C -0.089 175.545 175.800 -0.277 0.000 1.103 145 F CA 0.130 57.998 58.000 -0.219 0.000 0.954 145 F CB 1.833 40.653 39.000 -0.300 0.000 1.267 145 F HN 0.578 nan 8.300 nan 0.000 0.444 146 G N 3.992 112.000 108.800 -1.320 0.000 2.746 146 G HA2 0.484 4.444 3.960 0.001 0.000 0.297 146 G HA3 0.484 4.444 3.960 0.001 0.000 0.297 146 G C -2.573 171.807 174.900 -0.866 0.000 1.426 146 G CA -0.710 43.934 45.100 -0.760 0.000 0.989 146 G HN 0.698 nan 8.290 nan 0.000 0.520 147 F N 3.128 122.848 119.950 -0.384 0.000 2.402 147 F HA 0.610 5.138 4.527 0.002 0.000 0.355 147 F C -0.254 175.612 175.800 0.111 0.000 1.123 147 F CA -1.111 56.813 58.000 -0.126 0.000 1.021 147 F CB 1.086 40.173 39.000 0.144 0.000 1.160 147 F HN 0.238 nan 8.300 nan 0.000 0.451 148 L N 7.756 128.621 121.223 -0.597 0.000 2.312 148 L HA 0.193 4.534 4.340 0.001 0.000 0.287 148 L C -0.538 176.103 176.870 -0.382 0.000 1.091 148 L CA -0.557 54.044 54.840 -0.398 0.000 0.846 148 L CB -0.046 41.618 42.059 -0.658 0.000 1.219 148 L HN 0.546 nan 8.230 nan 0.000 0.439 149 F N 3.187 123.038 119.950 -0.165 0.000 2.462 149 F HA 0.266 4.794 4.527 0.003 0.000 0.360 149 F C 1.330 177.263 175.800 0.222 0.000 1.134 149 F CA -0.814 57.193 58.000 0.011 0.000 1.148 149 F CB 0.921 40.075 39.000 0.257 0.000 1.147 149 F HN 0.588 nan 8.300 nan 0.000 0.550 150 A N 6.700 129.543 122.820 0.038 0.000 1.971 150 A HA -0.271 4.050 4.320 0.001 0.000 0.222 150 A C 2.543 180.038 177.584 -0.148 0.000 1.182 150 A CA 2.098 54.191 52.037 0.094 0.000 0.649 150 A CB -0.692 18.341 19.000 0.054 0.000 0.818 150 A HN 0.848 nan 8.150 nan 0.000 0.458 151 R N -0.644 119.439 120.500 -0.695 0.000 2.073 151 R HA -0.107 4.234 4.340 0.001 0.000 0.234 151 R C 2.016 178.119 176.300 -0.329 0.000 1.134 151 R CA 1.818 57.589 56.100 -0.548 0.000 0.952 151 R CB -0.447 29.387 30.300 -0.775 0.000 0.850 151 R HN 0.347 nan 8.270 nan 0.000 0.433 152 V N 0.371 120.086 119.914 -0.331 0.000 2.332 152 V HA -0.245 3.876 4.120 0.001 0.000 0.248 152 V C 1.881 177.723 176.094 -0.421 0.000 1.055 152 V CA 1.865 63.994 62.300 -0.284 0.000 1.038 152 V CB -0.483 31.183 31.823 -0.262 0.000 0.651 152 V HN 0.269 nan 8.190 nan 0.000 0.450 153 F N -1.717 118.091 119.950 -0.237 0.000 2.569 153 F HA 0.129 4.656 4.527 0.001 0.000 0.295 153 F C 1.208 176.697 175.800 -0.518 0.000 1.115 153 F CA 0.552 58.317 58.000 -0.391 0.000 1.450 153 F CB 0.008 38.684 39.000 -0.540 0.000 1.107 153 F HN 0.219 nan 8.300 nan 0.000 0.563 154 H N -0.030 119.085 119.070 0.075 0.000 2.530 154 H HA 0.233 4.790 4.556 0.001 0.000 0.246 154 H C -1.942 173.361 175.328 -0.041 0.000 1.346 154 H CA -1.944 54.121 56.048 0.028 0.000 1.424 154 H CB 0.506 30.293 29.762 0.043 0.000 1.445 154 H HN 0.004 nan 8.280 nan 0.000 0.511 155 P HA -0.169 nan 4.420 nan 0.000 0.215 155 P C 1.629 178.926 177.300 -0.004 0.000 1.157 155 P CA 1.625 64.718 63.100 -0.012 0.000 0.874 155 P CB 0.316 32.017 31.700 0.002 0.000 0.790 156 A N -1.087 121.769 122.820 0.059 0.000 2.076 156 A HA -0.179 4.141 4.320 0.001 0.000 0.220 156 A C 1.967 179.542 177.584 -0.014 0.000 1.160 156 A CA 1.463 53.554 52.037 0.091 0.000 0.653 156 A CB -1.285 17.769 19.000 0.091 0.000 0.801 156 A HN 0.066 nan 8.150 nan 0.000 0.455 157 M N -0.463 119.096 119.600 -0.068 0.000 2.460 157 M HA -0.056 4.425 4.480 0.001 0.000 0.263 157 M C 1.859 178.034 176.300 -0.208 0.000 1.071 157 M CA 0.963 56.162 55.300 -0.169 0.000 1.096 157 M CB -1.121 31.394 32.600 -0.141 0.000 1.408 157 M HN 0.443 nan 8.290 nan 0.000 0.463 158 R N -0.923 119.423 120.500 -0.257 0.000 2.189 158 R HA -0.106 4.234 4.340 0.001 0.000 0.223 158 R C 1.616 177.672 176.300 -0.406 0.000 1.092 158 R CA 0.831 56.718 56.100 -0.354 0.000 0.989 158 R CB -0.184 29.838 30.300 -0.464 0.000 0.876 158 R HN 0.534 nan 8.270 nan 0.000 0.457 159 H N -1.094 117.920 119.070 -0.092 0.000 2.595 159 H HA 0.115 4.673 4.556 0.004 0.000 0.265 159 H C 1.996 177.251 175.328 -0.121 0.000 0.953 159 H CA 0.488 56.485 56.048 -0.085 0.000 1.197 159 H CB 0.500 30.225 29.762 -0.062 0.000 1.438 159 H HN -0.035 nan 8.280 nan 0.000 0.531 160 V N 1.009 120.855 119.914 -0.113 0.000 2.426 160 V HA -0.062 4.059 4.120 0.001 0.000 0.242 160 V C 2.764 178.702 176.094 -0.259 0.000 1.036 160 V CA 1.241 63.385 62.300 -0.260 0.000 1.044 160 V CB -0.741 30.727 31.823 -0.591 0.000 0.688 160 V HN 0.380 nan 8.190 nan 0.000 0.462 161 A N 0.882 123.556 122.820 -0.243 0.000 1.903 161 A HA -0.206 4.115 4.320 0.001 0.000 0.219 161 A C 0.474 177.988 177.584 -0.117 0.000 1.191 161 A CA 2.536 54.464 52.037 -0.182 0.000 0.638 161 A CB -2.003 16.907 19.000 -0.151 0.000 0.823 161 A HN 0.533 nan 8.150 nan 0.000 0.451 162 P HA -0.078 nan 4.420 nan 0.000 0.217 162 P C 1.546 178.819 177.300 -0.045 0.000 1.150 162 P CA 1.209 64.277 63.100 -0.053 0.000 0.832 162 P CB -0.091 31.589 31.700 -0.032 0.000 0.787 163 V N -0.161 119.721 119.914 -0.053 0.000 2.358 163 V HA -0.200 3.921 4.120 0.001 0.000 0.246 163 V C 2.408 178.481 176.094 -0.035 0.000 1.047 163 V CA 1.719 63.998 62.300 -0.035 0.000 1.035 163 V CB -0.948 30.858 31.823 -0.029 0.000 0.658 163 V HN 0.071 nan 8.190 nan 0.000 0.452 164 R N 0.331 120.793 120.500 -0.064 0.000 2.075 164 R HA -0.048 4.293 4.340 0.001 0.000 0.232 164 R C 2.460 178.735 176.300 -0.041 0.000 1.126 164 R CA 1.394 57.465 56.100 -0.049 0.000 0.963 164 R CB -0.590 29.658 30.300 -0.087 0.000 0.858 164 R HN 0.513 nan 8.270 nan 0.000 0.435 165 A N 1.035 123.826 122.820 -0.047 0.000 1.933 165 A HA -0.201 4.120 4.320 0.001 0.000 0.218 165 A C 1.962 179.530 177.584 -0.025 0.000 1.175 165 A CA 1.407 53.422 52.037 -0.036 0.000 0.628 165 A CB -0.295 18.684 19.000 -0.036 0.000 0.814 165 A HN 0.315 nan 8.150 nan 0.000 0.444 166 E N -0.396 119.791 120.200 -0.022 0.000 2.107 166 E HA -0.045 4.306 4.350 0.001 0.000 0.191 166 E C 1.908 178.501 176.600 -0.012 0.000 0.982 166 E CA 0.628 57.019 56.400 -0.015 0.000 0.809 166 E CB -0.151 29.542 29.700 -0.012 0.000 0.756 166 E HN 0.625 nan 8.360 nan 0.000 0.459 167 L N -0.614 120.602 121.223 -0.011 0.000 2.083 167 L HA -0.071 4.270 4.340 0.001 0.000 0.209 167 L C 1.803 178.666 176.870 -0.012 0.000 1.083 167 L CA 0.913 55.749 54.840 -0.007 0.000 0.752 167 L CB -0.451 41.608 42.059 0.000 0.000 0.899 167 L HN 0.440 nan 8.230 nan 0.000 0.433 168 G N 0.115 108.903 108.800 -0.019 0.000 2.166 168 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 168 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 168 G C 0.250 175.131 174.900 -0.032 0.000 0.986 168 G CA 0.496 45.582 45.100 -0.024 0.000 0.683 168 G HN 0.391 nan 8.290 nan 0.000 0.527 169 V N -4.369 115.524 119.914 -0.034 0.000 3.155 169 V HA 0.872 4.992 4.120 0.001 0.000 0.313 169 V C 0.512 176.565 176.094 -0.068 0.000 1.162 169 V CA -1.918 60.352 62.300 -0.049 0.000 1.048 169 V CB 1.345 33.151 31.823 -0.028 0.000 1.092 169 V HN 0.293 nan 8.190 nan 0.000 0.447 170 R N 1.171 121.603 120.500 -0.114 0.000 2.543 170 R HA 0.590 4.930 4.340 0.001 0.000 0.277 170 R C 0.233 176.493 176.300 -0.066 0.000 1.074 170 R CA 0.499 56.504 56.100 -0.159 0.000 1.076 170 R CB 0.963 31.051 30.300 -0.353 0.000 0.993 170 R HN 1.089 nan 8.270 nan 0.000 0.459 171 T N -2.447 112.085 114.554 -0.037 0.000 2.742 171 T HA 0.129 4.480 4.350 0.001 0.000 0.282 171 T C 0.847 175.517 174.700 -0.050 0.000 1.025 171 T CA -0.899 61.202 62.100 0.002 0.000 1.020 171 T CB 1.173 70.094 68.868 0.089 0.000 1.317 171 T HN 0.222 nan 8.240 nan 0.000 0.538 172 V N 0.052 119.896 119.914 -0.117 0.000 2.568 172 V HA -0.029 4.091 4.120 0.001 0.000 0.253 172 V C 1.981 177.897 176.094 -0.298 0.000 1.072 172 V CA 1.767 63.914 62.300 -0.255 0.000 1.084 172 V CB -1.314 30.302 31.823 -0.344 0.000 0.676 172 V HN 0.793 nan 8.190 nan 0.000 0.469 173 F N 0.991 120.875 119.950 -0.110 0.000 2.333 173 F HA -0.095 4.432 4.527 -0.001 0.000 0.300 173 F C 2.006 177.736 175.800 -0.116 0.000 1.083 173 F CA 1.885 59.817 58.000 -0.113 0.000 1.395 173 F CB -0.780 38.159 39.000 -0.101 0.000 1.056 173 F HN 0.326 nan 8.300 nan 0.000 0.529 174 N N 0.011 118.728 118.700 0.029 0.000 2.244 174 N HA -0.100 4.641 4.740 0.001 0.000 0.183 174 N C 1.740 177.226 175.510 -0.040 0.000 1.016 174 N CA 0.927 53.979 53.050 0.003 0.000 0.866 174 N CB -0.235 38.248 38.487 -0.006 0.000 0.980 174 N HN 0.232 nan 8.380 nan 0.000 0.430 175 L N -0.206 120.931 121.223 -0.144 0.000 2.162 175 L HA 0.064 4.404 4.340 0.001 0.000 0.205 175 L C 1.716 178.486 176.870 -0.167 0.000 1.086 175 L CA 0.553 55.257 54.840 -0.226 0.000 0.778 175 L CB -0.284 41.535 42.059 -0.400 0.000 0.928 175 L HN 0.161 nan 8.230 nan 0.000 0.446 176 L N -0.261 120.868 121.223 -0.157 0.000 2.217 176 L HA -0.036 4.305 4.340 0.001 0.000 0.211 176 L C 2.683 179.523 176.870 -0.050 0.000 1.107 176 L CA 0.919 55.683 54.840 -0.127 0.000 0.783 176 L CB -1.122 40.824 42.059 -0.188 0.000 0.919 176 L HN 0.286 nan 8.230 nan 0.000 0.442 177 G N 1.478 110.262 108.800 -0.027 0.000 2.553 177 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 177 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 177 G C -0.727 174.192 174.900 0.031 0.000 1.195 177 G CA 0.954 46.035 45.100 -0.032 0.000 0.779 177 G HN 0.321 nan 8.290 nan 0.000 0.577 178 P HA 0.055 nan 4.420 nan 0.000 0.221 178 P C 1.552 178.855 177.300 0.006 0.000 1.150 178 P CA 0.664 63.796 63.100 0.053 0.000 0.800 178 P CB -0.039 31.656 31.700 -0.007 0.000 0.787 179 L N -1.299 119.891 121.223 -0.055 0.000 2.611 179 L HA 0.133 4.474 4.340 0.001 0.000 0.229 179 L C 0.720 177.570 176.870 -0.034 0.000 1.137 179 L CA 0.608 55.379 54.840 -0.116 0.000 0.901 179 L CB -0.712 41.265 42.059 -0.135 0.000 1.098 179 L HN 0.041 nan 8.230 nan 0.000 0.456 180 T N -4.306 110.281 114.554 0.056 0.000 3.374 180 T HA 0.113 4.464 4.350 0.001 0.000 0.267 180 T C 0.342 175.020 174.700 -0.037 0.000 0.996 180 T CA -0.569 61.565 62.100 0.056 0.000 0.977 180 T CB -0.361 68.540 68.868 0.054 0.000 1.149 180 T HN 0.070 nan 8.240 nan 0.000 0.517 181 N N 3.558 122.213 118.700 -0.074 0.000 2.440 181 N HA 0.047 4.787 4.740 0.001 0.000 0.265 181 N C -1.554 173.748 175.510 -0.347 0.000 1.239 181 N CA -1.048 51.801 53.050 -0.334 0.000 0.909 181 N CB 1.374 39.827 38.487 -0.056 0.000 1.066 181 N HN 0.221 nan 8.380 nan 0.000 0.474 182 P HA 0.078 nan 4.420 nan 0.000 0.253 182 P C 0.037 177.085 177.300 -0.421 0.000 1.260 182 P CA 0.287 63.103 63.100 -0.473 0.000 0.800 182 P CB 0.242 31.511 31.700 -0.719 0.000 1.162 183 A N -0.541 122.050 122.820 -0.382 0.000 2.431 183 A HA 0.551 4.871 4.320 0.001 0.000 0.239 183 A C 1.464 178.941 177.584 -0.178 0.000 1.230 183 A CA 0.446 52.319 52.037 -0.273 0.000 0.928 183 A CB -0.553 18.267 19.000 -0.299 0.000 1.006 183 A HN 0.198 nan 8.150 nan 0.000 0.520 184 G N -0.609 108.102 108.800 -0.149 0.000 2.160 184 G HA2 0.118 4.079 3.960 0.001 0.000 0.244 184 G HA3 0.118 4.079 3.960 0.001 0.000 0.244 184 G C 0.476 175.334 174.900 -0.068 0.000 1.022 184 G CA 0.286 45.338 45.100 -0.079 0.000 0.741 184 G HN 1.654 nan 8.290 nan 0.000 0.508 185 A N 0.220 122.974 122.820 -0.110 0.000 2.561 185 A HA 0.446 4.767 4.320 0.001 0.000 0.234 185 A C 1.321 178.851 177.584 -0.091 0.000 1.055 185 A CA 1.217 53.139 52.037 -0.190 0.000 0.756 185 A CB 0.276 19.050 19.000 -0.377 0.000 0.986 185 A HN 0.984 nan 8.150 nan 0.000 0.505 186 D N -0.023 120.304 120.400 -0.121 0.000 2.500 186 D HA 0.381 5.022 4.640 0.001 0.000 0.217 186 D C 0.205 176.518 176.300 0.022 0.000 1.159 186 D CA 0.678 54.699 54.000 0.036 0.000 0.828 186 D CB 0.001 40.814 40.800 0.022 0.000 1.039 186 D HN 0.621 nan 8.370 nan 0.000 0.512 187 A N -0.022 122.668 122.820 -0.216 0.000 2.342 187 A HA 0.684 5.005 4.320 0.001 0.000 0.323 187 A C -1.620 175.742 177.584 -0.371 0.000 1.125 187 A CA -0.594 51.360 52.037 -0.138 0.000 0.785 187 A CB 1.279 20.208 19.000 -0.118 0.000 1.221 187 A HN 0.092 nan 8.150 nan 0.000 0.463 188 Y N -0.077 120.219 120.300 -0.007 0.000 2.588 188 Y HA 0.561 5.112 4.550 0.002 0.000 0.343 188 Y C -0.276 175.634 175.900 0.016 0.000 1.065 188 Y CA -0.849 57.252 58.100 0.001 0.000 1.038 188 Y CB 2.652 41.114 38.460 0.002 0.000 1.297 188 Y HN 0.351 nan 8.280 nan 0.000 0.467 189 V N 3.689 123.716 119.914 0.187 0.000 2.465 189 V HA 0.268 4.389 4.120 0.001 0.000 0.263 189 V C -0.971 175.205 176.094 0.137 0.000 0.981 189 V CA -0.470 61.905 62.300 0.125 0.000 0.838 189 V CB 1.183 33.049 31.823 0.070 0.000 1.068 189 V HN 0.598 nan 8.190 nan 0.000 0.458 190 L N 3.840 125.145 121.223 0.136 0.000 2.264 190 L HA 0.794 5.134 4.340 0.001 0.000 0.287 190 L C 0.841 177.746 176.870 0.058 0.000 1.039 190 L CA -0.134 54.765 54.840 0.098 0.000 0.829 190 L CB 0.856 42.941 42.059 0.043 0.000 1.211 190 L HN 0.638 nan 8.230 nan 0.000 0.427 191 G N 4.192 113.029 108.800 0.063 0.000 2.395 191 G HA2 0.502 4.463 3.960 0.001 0.000 0.283 191 G HA3 0.502 4.463 3.960 0.001 0.000 0.283 191 G C -0.652 174.286 174.900 0.062 0.000 1.178 191 G CA -0.329 44.810 45.100 0.065 0.000 0.837 191 G HN 0.566 nan 8.290 nan 0.000 0.518 192 V N 0.634 120.594 119.914 0.077 0.000 2.864 192 V HA 0.635 4.756 4.120 0.001 0.000 0.314 192 V C 0.912 177.081 176.094 0.124 0.000 1.073 192 V CA -0.966 61.332 62.300 -0.002 0.000 0.956 192 V CB 1.509 33.270 31.823 -0.103 0.000 1.023 192 V HN 0.791 nan 8.190 nan 0.000 0.435 193 F N 0.984 121.037 119.950 0.171 0.000 2.407 193 F HA 0.346 4.874 4.527 0.001 0.000 0.299 193 F C 0.945 176.863 175.800 0.197 0.000 1.097 193 F CA 0.413 58.536 58.000 0.205 0.000 1.422 193 F CB -0.735 38.335 39.000 0.117 0.000 1.067 193 F HN 0.701 nan 8.300 nan 0.000 0.539 194 S N 0.065 115.625 115.700 -0.233 0.000 2.541 194 S HA 0.440 4.911 4.470 0.001 0.000 0.280 194 S C -2.069 172.213 174.600 -0.530 0.000 1.112 194 S CA -1.418 56.598 58.200 -0.307 0.000 0.925 194 S CB 2.050 65.268 63.200 0.029 0.000 1.067 194 S HN -0.125 nan 8.310 nan 0.000 0.479 195 P HA -0.121 nan 4.420 nan 0.000 0.220 195 P C 0.636 177.759 177.300 -0.294 0.000 1.144 195 P CA 1.273 64.120 63.100 -0.422 0.000 0.800 195 P CB 0.041 31.564 31.700 -0.295 0.000 0.772 196 E N -1.218 118.765 120.200 -0.361 0.000 2.338 196 E HA -0.130 4.221 4.350 0.001 0.000 0.197 196 E C 1.376 177.614 176.600 -0.604 0.000 1.007 196 E CA 1.033 57.150 56.400 -0.472 0.000 0.849 196 E CB -0.843 28.510 29.700 -0.579 0.000 0.774 196 E HN 0.504 nan 8.360 nan 0.000 0.506 197 W N -0.406 120.727 121.300 -0.279 0.000 3.278 197 W HA 0.266 4.927 4.660 0.001 0.000 0.308 197 W C 1.233 177.629 176.519 -0.204 0.000 1.253 197 W CA -0.403 56.779 57.345 -0.273 0.000 1.759 197 W CB 0.153 29.340 29.460 -0.454 0.000 1.093 197 W HN 0.026 nan 8.180 nan 0.000 0.648 198 L N 0.255 121.468 121.223 -0.017 0.000 1.989 198 L HA -0.242 4.099 4.340 0.001 0.000 0.211 198 L C 2.685 179.548 176.870 -0.012 0.000 1.071 198 L CA 1.706 56.535 54.840 -0.019 0.000 0.749 198 L CB -1.139 40.888 42.059 -0.053 0.000 0.890 198 L HN 0.024 nan 8.230 nan 0.000 0.431 199 A N 0.164 122.962 122.820 -0.036 0.000 1.858 199 A HA -0.101 4.220 4.320 0.001 0.000 0.216 199 A C 0.017 177.605 177.584 0.007 0.000 1.190 199 A CA 1.629 53.651 52.037 -0.025 0.000 0.617 199 A CB -1.826 17.144 19.000 -0.050 0.000 0.827 199 A HN 0.289 nan 8.150 nan 0.000 0.443 200 P HA -0.106 nan 4.420 nan 0.000 0.218 200 P C 1.562 178.922 177.300 0.100 0.000 1.149 200 P CA 0.953 64.110 63.100 0.095 0.000 0.817 200 P CB -0.067 31.744 31.700 0.185 0.000 0.785 201 M N -1.244 118.415 119.600 0.098 0.000 2.288 201 M HA 0.034 4.515 4.480 0.001 0.000 0.266 201 M C 2.023 178.313 176.300 -0.017 0.000 1.072 201 M CA 1.222 56.535 55.300 0.022 0.000 1.132 201 M CB -1.608 30.991 32.600 -0.002 0.000 1.386 201 M HN -0.101 nan 8.290 nan 0.000 0.432 202 A N -0.110 122.709 122.820 -0.002 0.000 1.930 202 A HA -0.173 4.148 4.320 0.001 0.000 0.217 202 A C 2.146 179.727 177.584 -0.005 0.000 1.175 202 A CA 1.721 53.753 52.037 -0.008 0.000 0.627 202 A CB -0.634 18.367 19.000 0.001 0.000 0.815 202 A HN 0.566 nan 8.150 nan 0.000 0.443 203 E N -0.187 120.017 120.200 0.006 0.000 2.152 203 E HA -0.034 4.317 4.350 0.001 0.000 0.192 203 E C 2.106 178.707 176.600 0.002 0.000 0.983 203 E CA 0.743 57.149 56.400 0.010 0.000 0.818 203 E CB -0.181 29.532 29.700 0.022 0.000 0.758 203 E HN 0.532 nan 8.360 nan 0.000 0.467 204 A N 1.307 124.122 122.820 -0.008 0.000 1.877 204 A HA -0.153 4.167 4.320 0.001 0.000 0.216 204 A C 2.192 179.741 177.584 -0.058 0.000 1.186 204 A CA 1.027 53.047 52.037 -0.029 0.000 0.620 204 A CB -0.683 18.288 19.000 -0.049 0.000 0.822 204 A HN 0.286 nan 8.150 nan 0.000 0.443 205 L N -0.911 120.260 121.223 -0.086 0.000 2.012 205 L HA -0.237 4.104 4.340 0.001 0.000 0.210 205 L C 2.702 179.544 176.870 -0.046 0.000 1.073 205 L CA 1.998 56.768 54.840 -0.117 0.000 0.748 205 L CB -0.544 41.432 42.059 -0.138 0.000 0.891 205 L HN 0.615 nan 8.230 nan 0.000 0.431 206 E N 0.342 120.530 120.200 -0.019 0.000 2.085 206 E HA -0.251 4.099 4.350 0.001 0.000 0.194 206 E C 2.323 178.923 176.600 0.002 0.000 0.994 206 E CA 1.227 57.627 56.400 0.001 0.000 0.801 206 E CB 0.080 29.785 29.700 0.008 0.000 0.743 206 E HN 0.318 nan 8.360 nan 0.000 0.453 207 R N -0.231 120.268 120.500 -0.001 0.000 2.120 207 R HA -0.051 4.290 4.340 0.001 0.000 0.234 207 R C 2.085 178.386 176.300 0.002 0.000 1.123 207 R CA 0.955 57.058 56.100 0.005 0.000 0.975 207 R CB -0.086 30.221 30.300 0.012 0.000 0.866 207 R HN 0.271 nan 8.270 nan 0.000 0.446 208 L N -0.525 120.692 121.223 -0.010 0.000 2.591 208 L HA 0.196 4.537 4.340 0.001 0.000 0.228 208 L C 1.001 177.876 176.870 0.010 0.000 1.133 208 L CA 0.288 55.125 54.840 -0.006 0.000 0.880 208 L CB 0.294 42.335 42.059 -0.030 0.000 1.033 208 L HN 0.414 nan 8.230 nan 0.000 0.450 209 G N 0.164 108.971 108.800 0.012 0.000 2.136 209 G HA2 -0.236 3.725 3.960 0.001 0.000 0.242 209 G HA3 -0.236 3.725 3.960 0.001 0.000 0.242 209 G C 0.253 175.178 174.900 0.042 0.000 0.989 209 G CA 0.140 45.253 45.100 0.023 0.000 0.682 209 G HN 0.511 nan 8.290 nan 0.000 0.522 210 A N -0.439 122.412 122.820 0.051 0.000 2.261 210 A HA 1.042 5.362 4.320 0.001 0.000 0.323 210 A C 0.513 178.153 177.584 0.094 0.000 1.107 210 A CA 0.221 52.326 52.037 0.113 0.000 0.883 210 A CB 0.938 20.043 19.000 0.176 0.000 1.251 210 A HN 1.374 nan 8.150 nan 0.000 0.502 211 R N -1.312 119.273 120.500 0.143 0.000 2.846 211 R HA 0.855 5.196 4.340 0.001 0.000 0.263 211 R C 0.148 176.531 176.300 0.137 0.000 1.080 211 R CA -0.321 55.837 56.100 0.096 0.000 0.961 211 R CB 0.705 31.031 30.300 0.044 0.000 1.231 211 R HN 2.288 nan 8.270 nan 0.000 0.465 212 G N -0.284 108.569 108.800 0.089 0.000 2.297 212 G HA2 0.144 4.105 3.960 0.001 0.000 0.209 212 G HA3 0.144 4.105 3.960 0.001 0.000 0.209 212 G C -2.028 172.946 174.900 0.123 0.000 1.267 212 G CA -0.657 44.507 45.100 0.106 0.000 1.127 212 G HN 0.374 nan 8.290 nan 0.000 0.498 213 L N 0.031 121.337 121.223 0.138 0.000 2.346 213 L HA 0.742 5.083 4.340 0.001 0.000 0.276 213 L C 0.331 177.243 176.870 0.070 0.000 1.006 213 L CA -0.924 53.981 54.840 0.107 0.000 0.817 213 L CB 1.831 43.970 42.059 0.134 0.000 1.272 213 L HN 0.597 nan 8.230 nan 0.000 0.421 214 V N 3.492 123.420 119.914 0.024 0.000 2.398 214 V HA 0.745 4.866 4.120 0.001 0.000 0.286 214 V C -0.097 175.996 176.094 -0.002 0.000 1.026 214 V CA -0.718 61.590 62.300 0.013 0.000 0.868 214 V CB 1.731 33.552 31.823 -0.004 0.000 0.982 214 V HN 0.575 nan 8.190 nan 0.000 0.443 215 V N 2.028 121.956 119.914 0.024 0.000 3.074 215 V HA 0.853 4.973 4.120 0.001 0.000 0.314 215 V C -1.041 175.109 176.094 0.093 0.000 1.117 215 V CA -0.784 61.533 62.300 0.028 0.000 1.014 215 V CB 2.143 33.977 31.823 0.019 0.000 1.057 215 V HN 0.986 nan 8.190 nan 0.000 0.438 216 H N 0.641 119.699 119.070 -0.021 0.000 3.083 216 H HA 0.682 5.239 4.556 0.001 0.000 0.339 216 H C -0.272 175.058 175.328 0.003 0.000 1.020 216 H CA 0.374 56.419 56.048 -0.004 0.000 1.360 216 H CB 1.663 31.418 29.762 -0.013 0.000 1.811 216 H HN 1.237 nan 8.280 nan 0.000 0.493 217 G N 3.619 112.105 108.800 -0.524 0.000 2.873 217 G HA2 0.354 4.315 3.960 0.001 0.000 0.340 217 G HA3 0.354 4.315 3.960 0.001 0.000 0.340 217 G C -0.772 173.908 174.900 -0.366 0.000 1.171 217 G CA -0.675 44.229 45.100 -0.327 0.000 1.113 217 G HN 0.869 nan 8.290 nan 0.000 0.471 218 E N 0.832 120.879 120.200 -0.255 0.000 2.246 218 E HA -0.278 4.073 4.350 0.001 0.000 0.173 218 E C 1.482 178.045 176.600 -0.060 0.000 1.532 218 E CA 0.724 57.079 56.400 -0.074 0.000 0.672 218 E CB -1.174 28.508 29.700 -0.030 0.000 1.078 218 E HN 1.520 nan 8.360 nan 0.000 0.338 219 G N -0.865 107.952 108.800 0.028 0.000 2.284 219 G HA2 -0.333 3.628 3.960 0.001 0.000 0.247 219 G HA3 -0.333 3.628 3.960 0.001 0.000 0.247 219 G C 0.381 175.340 174.900 0.099 0.000 1.012 219 G CA 0.186 45.400 45.100 0.189 0.000 0.618 219 G HN 1.095 nan 8.290 nan 0.000 0.521 220 A N 0.837 123.557 122.820 -0.166 0.000 2.304 220 A HA 0.587 4.907 4.320 0.001 0.000 0.301 220 A C 0.750 178.287 177.584 -0.078 0.000 1.132 220 A CA 0.588 52.584 52.037 -0.069 0.000 0.819 220 A CB 0.571 19.531 19.000 -0.067 0.000 1.094 220 A HN 0.743 nan 8.150 nan 0.000 0.492 221 D N 0.837 121.283 120.400 0.076 0.000 2.676 221 D HA 0.111 4.752 4.640 0.001 0.000 0.239 221 D C -0.046 176.289 176.300 0.059 0.000 1.213 221 D CA 0.058 54.132 54.000 0.123 0.000 0.835 221 D CB -0.391 40.516 40.800 0.178 0.000 1.009 221 D HN 0.704 nan 8.370 nan 0.000 0.479 222 E N -1.102 119.099 120.200 0.002 0.000 2.423 222 E HA 0.386 4.736 4.350 0.001 0.000 0.280 222 E C -0.995 175.587 176.600 -0.030 0.000 1.030 222 E CA -1.070 55.332 56.400 0.003 0.000 0.812 222 E CB 0.673 30.381 29.700 0.014 0.000 1.313 222 E HN -0.070 nan 8.360 nan 0.000 0.456 223 L N 1.783 122.999 121.223 -0.011 0.000 2.410 223 L HA 0.377 4.718 4.340 0.001 0.000 0.273 223 L C 0.193 177.050 176.870 -0.020 0.000 1.152 223 L CA -0.478 54.351 54.840 -0.017 0.000 0.855 223 L CB 0.681 42.743 42.059 0.005 0.000 1.129 223 L HN 0.526 nan 8.230 nan 0.000 0.463 224 V N 1.595 121.490 119.914 -0.032 0.000 3.158 224 V HA 0.427 4.548 4.120 0.001 0.000 0.315 224 V C 0.159 176.246 176.094 -0.012 0.000 1.148 224 V CA -1.081 61.204 62.300 -0.024 0.000 1.042 224 V CB 1.937 33.736 31.823 -0.039 0.000 1.101 224 V HN 0.569 nan 8.190 nan 0.000 0.448 225 L N 2.244 123.463 121.223 -0.007 0.000 2.672 225 L HA 0.625 4.966 4.340 0.001 0.000 0.238 225 L C 0.797 177.667 176.870 -0.001 0.000 1.392 225 L CA 0.636 55.476 54.840 -0.000 0.000 1.238 225 L CB -1.068 40.992 42.059 0.002 0.000 1.548 225 L HN 1.052 nan 8.230 nan 0.000 0.423 226 G N -0.492 108.306 108.800 -0.003 0.000 2.976 226 G HA2 0.208 4.169 3.960 0.001 0.000 0.276 226 G HA3 0.208 4.169 3.960 0.001 0.000 0.276 226 G C -0.925 173.977 174.900 0.004 0.000 1.207 226 G CA -0.398 44.702 45.100 -0.001 0.000 0.803 226 G HN 0.074 nan 8.290 nan 0.000 0.572 227 E N 1.742 121.946 120.200 0.007 0.000 1.999 227 E HA 0.170 4.521 4.350 0.001 0.000 0.296 227 E C 0.236 176.845 176.600 0.015 0.000 1.187 227 E CA -0.292 56.118 56.400 0.016 0.000 1.229 227 E CB -0.949 28.764 29.700 0.022 0.000 1.131 227 E HN 0.298 nan 8.360 nan 0.000 0.478 228 N N 2.357 121.062 118.700 0.008 0.000 2.453 228 N HA 0.104 4.845 4.740 0.001 0.000 0.253 228 N C -0.181 175.338 175.510 0.015 0.000 1.252 228 N CA 0.207 53.257 53.050 -0.000 0.000 0.917 228 N CB 0.597 39.081 38.487 -0.005 0.000 1.117 228 N HN 0.184 nan 8.380 nan 0.000 0.442 229 R N 0.851 121.363 120.500 0.021 0.000 2.494 229 R HA 0.575 4.916 4.340 0.001 0.000 0.305 229 R C -0.771 175.486 176.300 -0.072 0.000 0.959 229 R CA -0.780 55.318 56.100 -0.004 0.000 0.864 229 R CB 1.456 31.784 30.300 0.047 0.000 1.159 229 R HN 0.263 nan 8.270 nan 0.000 0.446 230 V N 1.949 121.728 119.914 -0.225 0.000 3.040 230 V HA 0.594 4.714 4.120 0.001 0.000 0.312 230 V C -0.669 175.175 176.094 -0.416 0.000 1.115 230 V CA -0.861 61.226 62.300 -0.355 0.000 0.998 230 V CB 3.002 34.467 31.823 -0.596 0.000 1.042 230 V HN 0.393 nan 8.190 nan 0.000 0.433 231 V N 2.082 121.837 119.914 -0.266 0.000 2.567 231 V HA 0.398 4.518 4.120 0.001 0.000 0.298 231 V C -0.496 175.560 176.094 -0.063 0.000 1.047 231 V CA -0.596 61.612 62.300 -0.153 0.000 0.880 231 V CB 1.831 33.613 31.823 -0.069 0.000 1.009 231 V HN 0.912 nan 8.190 nan 0.000 0.429 232 E N 2.791 123.005 120.200 0.023 0.000 2.197 232 E HA 0.457 4.808 4.350 0.001 0.000 0.281 232 E C -0.685 175.971 176.600 0.094 0.000 0.995 232 E CA -0.546 55.928 56.400 0.124 0.000 0.808 232 E CB 2.265 32.132 29.700 0.279 0.000 1.093 232 E HN 0.482 nan 8.360 nan 0.000 0.394 233 V N 2.641 122.601 119.914 0.076 0.000 2.655 233 V HA 0.139 4.260 4.120 0.001 0.000 0.300 233 V C 1.368 177.497 176.094 0.059 0.000 1.044 233 V CA 1.376 63.708 62.300 0.054 0.000 1.095 233 V CB 0.746 32.596 31.823 0.044 0.000 0.952 233 V HN 1.106 nan 8.190 nan 0.000 0.485 234 G N 3.352 112.181 108.800 0.049 0.000 2.184 234 G HA2 -0.263 3.697 3.960 0.001 0.000 0.264 234 G HA3 -0.263 3.697 3.960 0.001 0.000 0.264 234 G C 0.172 175.109 174.900 0.062 0.000 0.975 234 G CA 0.854 45.982 45.100 0.046 0.000 0.642 234 G HN 0.781 nan 8.290 nan 0.000 0.536 235 K N -1.409 119.041 120.400 0.083 0.000 1.893 235 K HA 0.690 5.011 4.320 0.001 0.000 0.252 235 K C 0.812 177.475 176.600 0.106 0.000 0.877 235 K CA -0.076 56.275 56.287 0.107 0.000 0.735 235 K CB 0.406 33.005 32.500 0.164 0.000 1.814 235 K HN 0.497 nan 8.250 nan 0.000 0.602 236 G N -0.048 108.841 108.800 0.148 0.000 3.262 236 G HA2 0.665 4.626 3.960 0.001 0.000 0.229 236 G HA3 0.665 4.626 3.960 0.001 0.000 0.229 236 G C -1.445 173.543 174.900 0.148 0.000 1.280 236 G CA -0.445 44.730 45.100 0.125 0.000 0.951 236 G HN 0.609 nan 8.290 nan 0.000 0.589 237 A N -1.216 121.669 122.820 0.109 0.000 2.282 237 A HA 0.907 5.228 4.320 0.001 0.000 0.319 237 A C -0.862 176.827 177.584 0.176 0.000 1.121 237 A CA -0.423 51.636 52.037 0.036 0.000 0.836 237 A CB 0.500 19.499 19.000 -0.002 0.000 1.146 237 A HN 1.740 nan 8.150 nan 0.000 0.494 238 Y N -2.964 117.349 120.300 0.022 0.000 2.732 238 Y HA 0.635 5.186 4.550 0.002 0.000 0.342 238 Y C -0.410 175.500 175.900 0.018 0.000 1.203 238 Y CA -0.856 57.254 58.100 0.016 0.000 1.092 238 Y CB 0.437 38.905 38.460 0.013 0.000 1.345 238 Y HN 1.038 nan 8.280 nan 0.000 0.458 239 A N 1.689 124.658 122.820 0.248 0.000 2.293 239 A HA 0.771 5.092 4.320 0.001 0.000 0.302 239 A C -1.662 176.057 177.584 0.225 0.000 1.119 239 A CA -0.632 51.492 52.037 0.146 0.000 0.823 239 A CB 1.324 20.381 19.000 0.095 0.000 1.097 239 A HN 1.061 nan 8.150 nan 0.000 0.491 240 L N 1.961 123.263 121.223 0.130 0.000 2.404 240 L HA 0.608 4.949 4.340 0.001 0.000 0.272 240 L C 0.194 177.102 176.870 0.064 0.000 0.980 240 L CA 0.211 55.127 54.840 0.127 0.000 0.836 240 L CB 1.742 43.880 42.059 0.131 0.000 1.238 240 L HN 0.909 nan 8.230 nan 0.000 0.408 241 T N 1.859 116.444 114.554 0.051 0.000 2.952 241 T HA 0.647 4.998 4.350 0.001 0.000 0.286 241 T C -2.275 172.439 174.700 0.023 0.000 1.024 241 T CA -1.881 60.237 62.100 0.031 0.000 1.029 241 T CB 1.716 70.599 68.868 0.025 0.000 1.094 241 T HN 0.386 nan 8.240 nan 0.000 0.515 242 P HA 0.003 nan 4.420 nan 0.000 0.215 242 P C 1.175 178.482 177.300 0.011 0.000 1.157 242 P CA 0.961 64.070 63.100 0.014 0.000 0.863 242 P CB 0.019 31.726 31.700 0.011 0.000 0.787 243 E N -0.193 120.013 120.200 0.009 0.000 2.219 243 E HA -0.227 4.124 4.350 0.001 0.000 0.198 243 E C 1.960 178.562 176.600 0.003 0.000 0.998 243 E CA 1.062 57.465 56.400 0.006 0.000 0.818 243 E CB -0.684 29.019 29.700 0.005 0.000 0.741 243 E HN 0.438 nan 8.360 nan 0.000 0.477 244 E N 0.365 120.568 120.200 0.004 0.000 2.150 244 E HA -0.130 4.221 4.350 0.001 0.000 0.193 244 E C 1.154 177.749 176.600 -0.008 0.000 0.985 244 E CA 1.371 57.769 56.400 -0.003 0.000 0.814 244 E CB 0.298 29.999 29.700 0.002 0.000 0.752 244 E HN 0.286 nan 8.360 nan 0.000 0.466 245 V N -3.509 116.405 119.914 -0.000 0.000 3.121 245 V HA 0.523 4.644 4.120 0.001 0.000 0.344 245 V C 0.828 176.926 176.094 0.006 0.000 1.390 245 V CA 0.202 62.502 62.300 0.000 0.000 1.177 245 V CB 0.109 31.936 31.823 0.008 0.000 1.163 245 V HN 0.247 nan 8.190 nan 0.000 0.484 246 G N 0.805 109.608 108.800 0.004 0.000 2.157 246 G HA2 -0.207 3.754 3.960 0.001 0.000 0.248 246 G HA3 -0.207 3.754 3.960 0.001 0.000 0.248 246 G C -0.199 174.706 174.900 0.009 0.000 0.979 246 G CA 0.422 45.526 45.100 0.006 0.000 0.650 246 G HN 0.613 nan 8.290 nan 0.000 0.529 247 L N 0.148 121.377 121.223 0.010 0.000 2.330 247 L HA 0.664 5.005 4.340 0.001 0.000 0.271 247 L C 0.606 177.481 176.870 0.008 0.000 1.013 247 L CA -1.256 53.590 54.840 0.011 0.000 0.816 247 L CB 1.777 43.845 42.059 0.014 0.000 1.287 247 L HN 0.288 nan 8.230 nan 0.000 0.435 248 K N 1.340 121.745 120.400 0.007 0.000 2.118 248 K HA 0.595 4.916 4.320 0.001 0.000 0.254 248 K C -0.572 176.032 176.600 0.006 0.000 0.961 248 K CA -0.961 55.330 56.287 0.006 0.000 0.876 248 K CB 1.608 34.110 32.500 0.004 0.000 1.077 248 K HN 0.453 nan 8.250 nan 0.000 0.440 249 R N 0.280 120.783 120.500 0.005 0.000 2.801 249 R HA 0.421 4.762 4.340 0.001 0.000 0.273 249 R C -0.419 175.883 176.300 0.003 0.000 1.080 249 R CA -0.148 55.955 56.100 0.005 0.000 1.197 249 R CB 0.539 30.842 30.300 0.005 0.000 1.109 249 R HN 0.832 nan 8.270 nan 0.000 0.535 250 A N 1.170 123.991 122.820 0.003 0.000 2.573 250 A HA 0.389 4.710 4.320 0.001 0.000 0.299 250 A C -2.716 174.868 177.584 0.001 0.000 1.060 250 A CA -1.329 50.709 52.037 0.002 0.000 0.736 250 A CB 1.098 20.099 19.000 0.001 0.000 1.280 250 A HN 0.413 nan 8.150 nan 0.000 0.401 251 P HA 0.207 nan 4.420 nan 0.000 0.267 251 P C 1.131 178.431 177.300 0.000 0.000 1.201 251 P CA -0.294 62.807 63.100 0.002 0.000 0.775 251 P CB 0.458 32.160 31.700 0.003 0.000 0.854 252 L N 0.994 122.217 121.223 -0.000 0.000 2.081 252 L HA -0.234 4.107 4.340 0.001 0.000 0.212 252 L C 2.076 178.946 176.870 0.001 0.000 1.080 252 L CA 1.489 56.328 54.840 -0.002 0.000 0.754 252 L CB -0.646 41.413 42.059 -0.001 0.000 0.893 252 L HN 0.438 nan 8.230 nan 0.000 0.433 253 E N 0.281 120.482 120.200 0.002 0.000 2.171 253 E HA -0.240 4.110 4.350 0.001 0.000 0.197 253 E C 2.184 178.785 176.600 0.001 0.000 0.997 253 E CA 1.426 57.827 56.400 0.002 0.000 0.810 253 E CB -0.349 29.353 29.700 0.003 0.000 0.738 253 E HN 0.527 nan 8.360 nan 0.000 0.467 254 A N 0.308 123.128 122.820 0.000 0.000 2.168 254 A HA 0.001 4.322 4.320 0.001 0.000 0.215 254 A C 1.870 179.454 177.584 -0.001 0.000 1.152 254 A CA 0.517 52.554 52.037 -0.001 0.000 0.716 254 A CB -0.173 18.826 19.000 -0.001 0.000 0.794 254 A HN 0.183 nan 8.150 nan 0.000 0.465 255 L N -1.253 119.969 121.223 -0.001 0.000 3.014 255 L HA 0.174 4.515 4.340 0.001 0.000 0.263 255 L C 1.735 178.605 176.870 0.001 0.000 1.207 255 L CA 0.053 54.893 54.840 -0.000 0.000 1.017 255 L CB 0.333 42.391 42.059 -0.001 0.000 1.360 255 L HN 0.220 nan 8.230 nan 0.000 0.560 256 K N 1.146 121.547 120.400 0.002 0.000 2.137 256 K HA 0.181 4.502 4.320 0.001 0.000 0.202 256 K C 1.258 177.860 176.600 0.002 0.000 1.052 256 K CA 1.335 57.624 56.287 0.003 0.000 0.961 256 K CB 0.062 32.564 32.500 0.003 0.000 0.741 256 K HN 0.187 nan 8.250 nan 0.000 0.452 257 G N -0.929 107.871 108.800 -0.000 0.000 2.536 257 G HA2 -0.100 3.860 3.960 0.001 0.000 0.280 257 G HA3 -0.100 3.860 3.960 0.001 0.000 0.280 257 G C 0.529 175.429 174.900 -0.002 0.000 1.152 257 G CA 0.206 45.305 45.100 -0.002 0.000 0.970 257 G HN 1.011 nan 8.290 nan 0.000 0.549 258 G N -1.715 107.085 108.800 -0.001 0.000 2.619 258 G HA2 0.705 4.666 3.960 0.001 0.000 0.146 258 G HA3 0.705 4.666 3.960 0.001 0.000 0.146 258 G C 0.430 175.330 174.900 -0.000 0.000 1.192 258 G CA 0.783 45.883 45.100 -0.001 0.000 1.063 258 G HN 2.075 nan 8.290 nan 0.000 0.538 259 G N 0.630 109.429 108.800 -0.001 0.000 2.544 259 G HA2 0.475 4.436 3.960 0.001 0.000 0.242 259 G HA3 0.475 4.436 3.960 0.001 0.000 0.242 259 G C -0.549 174.350 174.900 -0.002 0.000 1.247 259 G CA -0.109 44.991 45.100 -0.001 0.000 0.840 259 G HN 0.359 nan 8.290 nan 0.000 0.578 260 P HA -0.136 nan 4.420 nan 0.000 0.218 260 P C 0.989 178.286 177.300 -0.006 0.000 1.146 260 P CA 1.123 64.222 63.100 -0.003 0.000 0.813 260 P CB 0.396 32.096 31.700 -0.000 0.000 0.778 261 E N 0.587 120.784 120.200 -0.005 0.000 2.158 261 E HA -0.098 4.253 4.350 0.001 0.000 0.191 261 E C 1.957 178.552 176.600 -0.008 0.000 0.982 261 E CA 0.892 57.288 56.400 -0.006 0.000 0.823 261 E CB -0.521 29.176 29.700 -0.005 0.000 0.766 261 E HN 0.508 nan 8.360 nan 0.000 0.468 262 E N 0.984 121.179 120.200 -0.008 0.000 2.158 262 E HA -0.040 4.311 4.350 0.001 0.000 0.191 262 E C 1.727 178.320 176.600 -0.011 0.000 0.982 262 E CA 0.328 56.723 56.400 -0.009 0.000 0.823 262 E CB -0.005 29.691 29.700 -0.008 0.000 0.766 262 E HN 0.162 nan 8.360 nan 0.000 0.468 263 N N 1.363 120.057 118.700 -0.010 0.000 2.166 263 N HA -0.144 4.596 4.740 0.001 0.000 0.186 263 N C 1.814 177.315 175.510 -0.014 0.000 1.019 263 N CA 1.283 54.326 53.050 -0.011 0.000 0.856 263 N CB -0.311 38.171 38.487 -0.009 0.000 0.993 263 N HN 0.133 nan 8.380 nan 0.000 0.426 264 A N 1.294 124.105 122.820 -0.014 0.000 1.883 264 A HA -0.022 4.299 4.320 0.001 0.000 0.217 264 A C 2.424 180.000 177.584 -0.013 0.000 1.186 264 A CA 2.120 54.150 52.037 -0.012 0.000 0.624 264 A CB -0.936 18.058 19.000 -0.009 0.000 0.822 264 A HN 0.325 nan 8.150 nan 0.000 0.444 265 A N -0.584 122.226 122.820 -0.017 0.000 1.933 265 A HA -0.045 4.275 4.320 0.001 0.000 0.218 265 A C 2.217 179.776 177.584 -0.041 0.000 1.175 265 A CA 1.508 53.528 52.037 -0.028 0.000 0.628 265 A CB -0.585 18.400 19.000 -0.025 0.000 0.814 265 A HN 0.479 nan 8.150 nan 0.000 0.444 266 L N -0.840 120.363 121.223 -0.032 0.000 2.017 266 L HA -0.218 4.122 4.340 0.001 0.000 0.208 266 L C 3.150 179.995 176.870 -0.042 0.000 1.073 266 L CA 1.115 55.934 54.840 -0.036 0.000 0.745 266 L CB -0.540 41.505 42.059 -0.024 0.000 0.894 266 L HN 0.456 nan 8.230 nan 0.000 0.432 267 A N 0.185 122.986 122.820 -0.030 0.000 1.903 267 A HA -0.300 4.021 4.320 0.001 0.000 0.219 267 A C 2.304 179.864 177.584 -0.039 0.000 1.191 267 A CA 2.170 54.193 52.037 -0.023 0.000 0.638 267 A CB -0.638 18.357 19.000 -0.008 0.000 0.823 267 A HN 0.383 nan 8.150 nan 0.000 0.451 268 R N -1.010 119.450 120.500 -0.066 0.000 2.080 268 R HA -0.118 4.222 4.340 0.001 0.000 0.236 268 R C 2.503 178.625 176.300 -0.297 0.000 1.137 268 R CA 1.708 57.683 56.100 -0.208 0.000 0.943 268 R CB -0.364 29.815 30.300 -0.202 0.000 0.846 268 R HN 0.508 nan 8.270 nan 0.000 0.431 269 R N 0.547 120.936 120.500 -0.184 0.000 2.120 269 R HA -0.086 4.254 4.340 0.001 0.000 0.234 269 R C 2.347 178.580 176.300 -0.113 0.000 1.123 269 R CA 1.083 57.092 56.100 -0.152 0.000 0.975 269 R CB -0.342 29.900 30.300 -0.097 0.000 0.866 269 R HN 0.226 nan 8.270 nan 0.000 0.446 270 L N 0.432 121.606 121.223 -0.082 0.000 1.988 270 L HA -0.175 4.165 4.340 0.001 0.000 0.207 270 L C 2.309 179.155 176.870 -0.040 0.000 1.071 270 L CA 1.265 56.076 54.840 -0.047 0.000 0.744 270 L CB -0.428 41.613 42.059 -0.029 0.000 0.893 270 L HN 0.176 nan 8.230 nan 0.000 0.433 271 L N -0.400 120.802 121.223 -0.035 0.000 2.261 271 L HA -0.202 4.139 4.340 0.001 0.000 0.216 271 L C 2.529 179.406 176.870 0.012 0.000 1.114 271 L CA 0.894 55.746 54.840 0.020 0.000 0.777 271 L CB -0.516 41.616 42.059 0.121 0.000 0.910 271 L HN 0.230 nan 8.230 nan 0.000 0.440 272 K N 0.214 120.549 120.400 -0.110 0.000 2.365 272 K HA 0.024 4.345 4.320 0.001 0.000 0.197 272 K C 1.290 177.862 176.600 -0.047 0.000 1.042 272 K CA 0.873 57.093 56.287 -0.111 0.000 0.987 272 K CB 0.283 32.631 32.500 -0.253 0.000 0.779 272 K HN 0.382 nan 8.250 nan 0.000 0.484 273 G N 1.436 110.212 108.800 -0.040 0.000 2.132 273 G HA2 -0.255 3.706 3.960 0.001 0.000 0.234 273 G HA3 -0.255 3.706 3.960 0.001 0.000 0.234 273 G C 0.604 175.486 174.900 -0.030 0.000 0.989 273 G CA 0.632 45.720 45.100 -0.020 0.000 0.676 273 G HN 0.441 nan 8.290 nan 0.000 0.522 274 E N -0.192 119.977 120.200 -0.051 0.000 2.042 274 E HA 0.080 4.431 4.350 0.001 0.000 0.189 274 E C 1.135 177.712 176.600 -0.038 0.000 0.974 274 E CA 0.688 57.058 56.400 -0.049 0.000 0.806 274 E CB 0.077 29.734 29.700 -0.072 0.000 0.769 274 E HN 0.486 nan 8.360 nan 0.000 0.451 275 E N 1.495 121.670 120.200 -0.042 0.000 2.344 275 E HA -0.021 4.330 4.350 0.001 0.000 0.270 275 E C -0.501 176.087 176.600 -0.020 0.000 1.021 275 E CA 0.510 56.892 56.400 -0.031 0.000 0.887 275 E CB 0.566 30.246 29.700 -0.034 0.000 0.997 275 E HN -0.085 nan 8.360 nan 0.000 0.429 276 K N 3.332 123.723 120.400 -0.014 0.000 2.734 276 K HA 0.274 4.594 4.320 0.001 0.000 0.200 276 K C 0.280 176.877 176.600 -0.005 0.000 1.120 276 K CA -0.149 56.133 56.287 -0.008 0.000 1.067 276 K CB 1.331 33.827 32.500 -0.006 0.000 0.771 276 K HN 0.610 nan 8.250 nan 0.000 0.481 277 G N 1.548 110.344 108.800 -0.007 0.000 2.582 277 G HA2 0.104 4.064 3.960 0.001 0.000 0.232 277 G HA3 0.104 4.064 3.960 0.001 0.000 0.232 277 G C -1.804 173.095 174.900 -0.002 0.000 1.458 277 G CA -0.715 44.382 45.100 -0.005 0.000 1.062 277 G HN -0.160 nan 8.290 nan 0.000 0.566 278 P HA 0.021 nan 4.420 nan 0.000 0.220 278 P C 2.021 179.322 177.300 0.001 0.000 1.148 278 P CA 0.630 63.730 63.100 0.000 0.000 0.803 278 P CB 0.098 31.798 31.700 -0.000 0.000 0.782 279 L N -1.048 120.174 121.223 -0.002 0.000 2.093 279 L HA -0.133 4.208 4.340 0.001 0.000 0.208 279 L C 2.395 179.265 176.870 -0.000 0.000 1.085 279 L CA 1.496 56.335 54.840 -0.002 0.000 0.755 279 L CB -1.100 40.956 42.059 -0.006 0.000 0.904 279 L HN -0.039 nan 8.230 nan 0.000 0.435 280 A N -0.528 122.291 122.820 -0.001 0.000 2.015 280 A HA -0.178 4.143 4.320 0.001 0.000 0.219 280 A C 1.827 179.418 177.584 0.010 0.000 1.163 280 A CA 1.620 53.659 52.037 0.003 0.000 0.646 280 A CB -0.315 18.686 19.000 0.001 0.000 0.806 280 A HN 0.321 nan 8.150 nan 0.000 0.448 281 D N -0.063 120.343 120.400 0.009 0.000 2.137 281 D HA 0.075 4.716 4.640 0.001 0.000 0.202 281 D C 2.203 178.512 176.300 0.015 0.000 0.970 281 D CA 1.354 55.362 54.000 0.014 0.000 0.837 281 D CB -0.349 40.457 40.800 0.011 0.000 0.981 281 D HN 0.379 nan 8.370 nan 0.000 0.475 282 A N 0.507 123.333 122.820 0.010 0.000 2.015 282 A HA -0.073 4.247 4.320 0.001 0.000 0.219 282 A C 2.392 179.982 177.584 0.010 0.000 1.163 282 A CA 0.810 52.852 52.037 0.009 0.000 0.646 282 A CB -0.462 18.541 19.000 0.004 0.000 0.806 282 A HN 0.126 nan 8.150 nan 0.000 0.448 283 V N -0.325 119.594 119.914 0.009 0.000 2.379 283 V HA -0.181 3.940 4.120 0.001 0.000 0.245 283 V C 3.020 179.122 176.094 0.012 0.000 1.044 283 V CA 1.731 64.035 62.300 0.006 0.000 1.036 283 V CB -1.020 30.806 31.823 0.004 0.000 0.664 283 V HN 0.585 nan 8.190 nan 0.000 0.453 284 A N -0.178 122.658 122.820 0.027 0.000 1.933 284 A HA -0.181 4.140 4.320 0.001 0.000 0.218 284 A C 2.142 179.757 177.584 0.053 0.000 1.175 284 A CA 1.945 54.012 52.037 0.050 0.000 0.628 284 A CB -0.523 18.510 19.000 0.055 0.000 0.814 284 A HN 0.440 nan 8.150 nan 0.000 0.444 285 L N -0.187 121.058 121.223 0.037 0.000 2.017 285 L HA -0.061 4.280 4.340 0.001 0.000 0.208 285 L C 2.665 179.556 176.870 0.034 0.000 1.073 285 L CA 2.329 57.192 54.840 0.038 0.000 0.745 285 L CB -0.857 41.218 42.059 0.027 0.000 0.894 285 L HN 0.324 nan 8.230 nan 0.000 0.432 286 A N -0.712 122.118 122.820 0.016 0.000 1.930 286 A HA -0.023 4.297 4.320 0.001 0.000 0.217 286 A C 2.414 179.978 177.584 -0.032 0.000 1.175 286 A CA 1.621 53.661 52.037 0.005 0.000 0.627 286 A CB -1.086 17.916 19.000 0.003 0.000 0.815 286 A HN 0.572 nan 8.150 nan 0.000 0.443 287 A N -0.419 122.362 122.820 -0.065 0.000 1.930 287 A HA 0.165 4.486 4.320 0.001 0.000 0.217 287 A C 2.384 179.836 177.584 -0.220 0.000 1.175 287 A CA 1.792 53.700 52.037 -0.216 0.000 0.627 287 A CB -1.312 17.577 19.000 -0.185 0.000 0.815 287 A HN 0.681 nan 8.150 nan 0.000 0.443 288 G N -0.356 108.473 108.800 0.048 0.000 2.418 288 G HA2 -0.012 3.949 3.960 0.001 0.000 0.217 288 G HA3 -0.012 3.949 3.960 0.001 0.000 0.217 288 G C 1.743 176.762 174.900 0.199 0.000 1.158 288 G CA 1.429 46.667 45.100 0.230 0.000 0.771 288 G HN 0.793 nan 8.290 nan 0.000 0.545 289 A N 0.819 123.711 122.820 0.121 0.000 1.933 289 A HA 0.147 4.468 4.320 0.001 0.000 0.218 289 A C 2.669 180.350 177.584 0.163 0.000 1.175 289 A CA 2.104 54.239 52.037 0.164 0.000 0.628 289 A CB -0.974 18.095 19.000 0.114 0.000 0.814 289 A HN 0.519 nan 8.150 nan 0.000 0.444 290 G N -1.121 107.692 108.800 0.022 0.000 2.414 290 G HA2 -0.171 3.790 3.960 0.001 0.000 0.215 290 G HA3 -0.171 3.790 3.960 0.001 0.000 0.215 290 G C 1.445 176.352 174.900 0.011 0.000 1.188 290 G CA 0.976 46.043 45.100 -0.055 0.000 0.783 290 G HN 0.490 nan 8.290 nan 0.000 0.537 291 F N -0.615 119.388 119.950 0.088 0.000 2.120 291 F HA -0.134 4.394 4.527 0.002 0.000 0.300 291 F C 2.417 178.283 175.800 0.110 0.000 1.095 291 F CA 1.453 59.502 58.000 0.081 0.000 1.249 291 F CB -0.288 38.762 39.000 0.083 0.000 0.995 291 F HN 0.228 nan 8.300 nan 0.000 0.480 292 Y N 0.531 120.965 120.300 0.224 0.000 2.220 292 Y HA -0.139 4.412 4.550 0.001 0.000 0.291 292 Y C 2.331 178.295 175.900 0.108 0.000 1.129 292 Y CA 1.036 59.222 58.100 0.143 0.000 1.161 292 Y CB -0.517 38.018 38.460 0.126 0.000 0.997 292 Y HN -0.025 nan 8.280 nan 0.000 0.522 293 A N 0.724 123.574 122.820 0.050 0.000 1.908 293 A HA -0.148 4.172 4.320 0.001 0.000 0.218 293 A C 2.203 179.733 177.584 -0.090 0.000 1.181 293 A CA 1.825 53.826 52.037 -0.059 0.000 0.627 293 A CB -1.401 17.632 19.000 0.056 0.000 0.818 293 A HN 0.611 nan 8.150 nan 0.000 0.445 294 A N -1.950 120.854 122.820 -0.026 0.000 2.238 294 A HA 0.416 4.737 4.320 0.001 0.000 0.208 294 A C 1.768 179.342 177.584 -0.018 0.000 1.177 294 A CA 1.159 53.184 52.037 -0.020 0.000 0.804 294 A CB -0.975 18.030 19.000 0.009 0.000 0.823 294 A HN 1.930 nan 8.150 nan 0.000 0.482 295 G N -0.175 108.595 108.800 -0.050 0.000 2.143 295 G HA2 -0.347 3.614 3.960 0.001 0.000 0.248 295 G HA3 -0.347 3.614 3.960 0.001 0.000 0.248 295 G C 0.966 175.879 174.900 0.023 0.000 0.991 295 G CA 1.014 46.088 45.100 -0.044 0.000 0.689 295 G HN 0.610 nan 8.290 nan 0.000 0.522 296 K N 0.906 121.355 120.400 0.082 0.000 2.155 296 K HA 0.115 4.436 4.320 0.001 0.000 0.203 296 K C 1.415 178.038 176.600 0.037 0.000 1.052 296 K CA 1.921 58.255 56.287 0.079 0.000 0.948 296 K CB -0.075 32.531 32.500 0.176 0.000 0.728 296 K HN 0.854 nan 8.250 nan 0.000 0.448 297 T N -2.380 112.229 114.554 0.092 0.000 2.893 297 T HA 0.385 4.735 4.350 0.001 0.000 0.293 297 T C -2.215 172.588 174.700 0.171 0.000 1.027 297 T CA -1.882 60.270 62.100 0.086 0.000 0.988 297 T CB 1.928 70.842 68.868 0.076 0.000 1.043 297 T HN -0.117 nan 8.240 nan 0.000 0.461 298 P HA 0.055 nan 4.420 nan 0.000 0.230 298 P C 0.358 177.847 177.300 0.315 0.000 1.158 298 P CA 0.305 63.514 63.100 0.180 0.000 0.769 298 P CB 0.111 31.868 31.700 0.094 0.000 0.807 299 S N -2.221 113.641 115.700 0.271 0.000 2.607 299 S HA 0.375 4.846 4.470 0.001 0.000 0.273 299 S C 0.688 175.229 174.600 -0.098 0.000 1.148 299 S CA -0.853 57.371 58.200 0.040 0.000 0.833 299 S CB 0.852 64.032 63.200 -0.033 0.000 1.130 299 S HN -0.142 nan 8.310 nan 0.000 0.470 300 L N 1.106 122.055 121.223 -0.456 0.000 2.093 300 L HA 0.048 4.389 4.340 0.001 0.000 0.208 300 L C 2.752 179.584 176.870 -0.063 0.000 1.085 300 L CA 1.422 56.101 54.840 -0.269 0.000 0.755 300 L CB -0.376 41.496 42.059 -0.312 0.000 0.904 300 L HN 0.868 nan 8.230 nan 0.000 0.435 301 K N 0.296 120.653 120.400 -0.072 0.000 2.057 301 K HA -0.195 4.126 4.320 0.001 0.000 0.206 301 K C 1.938 178.542 176.600 0.007 0.000 1.050 301 K CA 1.457 57.731 56.287 -0.023 0.000 0.935 301 K CB 0.059 32.539 32.500 -0.034 0.000 0.715 301 K HN 0.300 nan 8.250 nan 0.000 0.439 302 E N -0.713 119.492 120.200 0.009 0.000 2.150 302 E HA -0.121 4.230 4.350 0.001 0.000 0.193 302 E C 1.928 178.549 176.600 0.035 0.000 0.985 302 E CA 0.874 57.283 56.400 0.014 0.000 0.814 302 E CB -0.078 29.630 29.700 0.013 0.000 0.752 302 E HN 0.526 nan 8.360 nan 0.000 0.466 303 G N 0.918 109.779 108.800 0.103 0.000 2.421 303 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 303 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 303 G C 1.719 176.774 174.900 0.258 0.000 1.171 303 G CA 0.712 45.949 45.100 0.229 0.000 0.775 303 G HN 0.132 nan 8.290 nan 0.000 0.543 304 V N 1.451 121.459 119.914 0.157 0.000 2.427 304 V HA -0.078 4.043 4.120 0.001 0.000 0.248 304 V C 3.279 179.432 176.094 0.099 0.000 1.051 304 V CA 1.826 64.205 62.300 0.131 0.000 1.048 304 V CB -0.666 31.202 31.823 0.074 0.000 0.666 304 V HN 0.477 nan 8.190 nan 0.000 0.456 305 A N -0.034 122.820 122.820 0.056 0.000 1.933 305 A HA -0.178 4.142 4.320 0.001 0.000 0.218 305 A C 2.148 179.739 177.584 0.012 0.000 1.175 305 A CA 2.001 54.053 52.037 0.025 0.000 0.628 305 A CB -0.502 18.500 19.000 0.003 0.000 0.814 305 A HN 0.454 nan 8.150 nan 0.000 0.444 306 L N -0.179 121.030 121.223 -0.022 0.000 2.027 306 L HA -0.000 4.340 4.340 0.001 0.000 0.206 306 L C 2.636 179.525 176.870 0.032 0.000 1.074 306 L CA 2.230 56.997 54.840 -0.122 0.000 0.745 306 L CB -0.969 40.807 42.059 -0.471 0.000 0.898 306 L HN 0.321 nan 8.230 nan 0.000 0.433 307 A N -0.299 122.675 122.820 0.256 0.000 1.908 307 A HA -0.243 4.078 4.320 0.001 0.000 0.218 307 A C 2.444 180.128 177.584 0.166 0.000 1.181 307 A CA 1.964 54.221 52.037 0.367 0.000 0.627 307 A CB -0.588 18.613 19.000 0.335 0.000 0.818 307 A HN 0.535 nan 8.150 nan 0.000 0.445 308 R N -0.875 119.688 120.500 0.105 0.000 2.092 308 R HA -0.125 4.216 4.340 0.001 0.000 0.231 308 R C 2.337 178.666 176.300 0.048 0.000 1.119 308 R CA 1.407 57.545 56.100 0.062 0.000 0.970 308 R CB -0.280 30.046 30.300 0.043 0.000 0.864 308 R HN 0.831 nan 8.270 nan 0.000 0.440 309 E N 0.677 120.900 120.200 0.038 0.000 2.047 309 E HA -0.153 4.197 4.350 0.001 0.000 0.191 309 E C 1.891 178.511 176.600 0.033 0.000 0.987 309 E CA 1.206 57.619 56.400 0.022 0.000 0.799 309 E CB 0.140 29.840 29.700 -0.001 0.000 0.752 309 E HN 0.057 nan 8.360 nan 0.000 0.449 310 V N 1.144 121.091 119.914 0.056 0.000 2.295 310 V HA -0.247 3.874 4.120 0.001 0.000 0.246 310 V C 2.467 178.601 176.094 0.068 0.000 1.049 310 V CA 1.499 63.844 62.300 0.075 0.000 1.024 310 V CB -0.485 31.425 31.823 0.146 0.000 0.648 310 V HN 0.331 nan 8.190 nan 0.000 0.447 311 L N 0.625 121.891 121.223 0.071 0.000 2.046 311 L HA -0.095 4.246 4.340 0.001 0.000 0.208 311 L C 2.430 179.320 176.870 0.033 0.000 1.077 311 L CA 2.351 57.220 54.840 0.050 0.000 0.747 311 L CB -0.940 41.146 42.059 0.046 0.000 0.896 311 L HN 0.266 nan 8.230 nan 0.000 0.432 312 A N -1.575 121.262 122.820 0.029 0.000 2.067 312 A HA -0.139 4.182 4.320 0.001 0.000 0.219 312 A C 2.397 179.991 177.584 0.018 0.000 1.158 312 A CA 1.477 53.525 52.037 0.018 0.000 0.661 312 A CB -0.760 18.249 19.000 0.015 0.000 0.801 312 A HN 0.606 nan 8.150 nan 0.000 0.452 313 S N -2.015 113.700 115.700 0.026 0.000 2.496 313 S HA 0.322 4.793 4.470 0.001 0.000 0.224 313 S C 1.619 176.241 174.600 0.035 0.000 0.996 313 S CA 1.201 59.417 58.200 0.027 0.000 0.927 313 S CB -0.344 62.873 63.200 0.028 0.000 0.774 313 S HN 1.841 nan 8.310 nan 0.000 0.524 314 G N 1.359 110.184 108.800 0.043 0.000 2.179 314 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 314 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 314 G C 0.581 175.537 174.900 0.093 0.000 0.977 314 G CA 0.474 45.613 45.100 0.065 0.000 0.641 314 G HN 0.590 nan 8.290 nan 0.000 0.533 315 E N 0.332 120.570 120.200 0.064 0.000 2.209 315 E HA 0.065 4.415 4.350 0.001 0.000 0.196 315 E C 2.789 179.413 176.600 0.041 0.000 0.993 315 E CA 1.093 57.523 56.400 0.051 0.000 0.819 315 E CB -0.192 29.532 29.700 0.040 0.000 0.745 315 E HN 0.783 nan 8.360 nan 0.000 0.477 316 A N 0.512 123.362 122.820 0.050 0.000 2.015 316 A HA -0.177 4.144 4.320 0.001 0.000 0.219 316 A C 1.890 179.489 177.584 0.026 0.000 1.163 316 A CA 0.918 52.964 52.037 0.015 0.000 0.646 316 A CB -0.412 18.599 19.000 0.018 0.000 0.806 316 A HN 0.361 nan 8.150 nan 0.000 0.448 317 Y N 0.383 120.653 120.300 -0.050 0.000 2.314 317 Y HA 0.050 4.601 4.550 0.001 0.000 0.294 317 Y C 1.810 177.688 175.900 -0.037 0.000 1.119 317 Y CA 1.083 59.154 58.100 -0.048 0.000 1.179 317 Y CB -0.209 38.232 38.460 -0.031 0.000 1.025 317 Y HN 0.199 nan 8.280 nan 0.000 0.541 318 L N -0.537 120.646 121.223 -0.068 0.000 2.131 318 L HA -0.186 4.155 4.340 0.001 0.000 0.210 318 L C 2.291 179.082 176.870 -0.132 0.000 1.092 318 L CA 0.930 55.695 54.840 -0.126 0.000 0.759 318 L CB -0.689 41.358 42.059 -0.020 0.000 0.903 318 L HN 0.302 nan 8.230 nan 0.000 0.435 319 L N 0.113 121.272 121.223 -0.108 0.000 2.072 319 L HA -0.163 4.177 4.340 0.001 0.000 0.205 319 L C 2.299 179.079 176.870 -0.150 0.000 1.079 319 L CA 1.521 56.296 54.840 -0.108 0.000 0.752 319 L CB -0.577 41.406 42.059 -0.127 0.000 0.906 319 L HN 0.121 nan 8.230 nan 0.000 0.436 320 L N -0.346 120.743 121.223 -0.224 0.000 2.042 320 L HA -0.192 4.149 4.340 0.001 0.000 0.210 320 L C 2.336 179.127 176.870 -0.132 0.000 1.076 320 L CA 1.871 56.583 54.840 -0.213 0.000 0.749 320 L CB -0.765 41.169 42.059 -0.209 0.000 0.893 320 L HN 0.305 nan 8.230 nan 0.000 0.432 321 E N -0.476 119.568 120.200 -0.260 0.000 2.152 321 E HA -0.171 4.180 4.350 0.001 0.000 0.192 321 E C 2.365 178.925 176.600 -0.066 0.000 0.983 321 E CA 0.865 57.140 56.400 -0.208 0.000 0.818 321 E CB -0.174 29.319 29.700 -0.344 0.000 0.758 321 E HN 0.438 nan 8.360 nan 0.000 0.467 322 R N -0.988 119.491 120.500 -0.035 0.000 2.081 322 R HA -0.186 4.155 4.340 0.001 0.000 0.235 322 R C 2.103 178.490 176.300 0.144 0.000 1.131 322 R CA 1.348 57.478 56.100 0.050 0.000 0.960 322 R CB -0.392 29.933 30.300 0.043 0.000 0.856 322 R HN 0.260 nan 8.270 nan 0.000 0.436 323 Y N 0.701 121.001 120.300 -0.001 0.000 2.200 323 Y HA -0.173 4.377 4.550 0.001 0.000 0.290 323 Y C 2.006 177.977 175.900 0.118 0.000 1.137 323 Y CA 1.453 59.590 58.100 0.061 0.000 1.163 323 Y CB -0.356 38.135 38.460 0.052 0.000 0.988 323 Y HN -0.151 nan 8.280 nan 0.000 0.518 324 V N 0.370 120.321 119.914 0.061 0.000 2.287 324 V HA -0.365 3.755 4.120 0.001 0.000 0.248 324 V C 2.646 178.722 176.094 -0.031 0.000 1.053 324 V CA 2.064 64.348 62.300 -0.026 0.000 1.027 324 V CB -1.566 30.251 31.823 -0.010 0.000 0.646 324 V HN 0.553 nan 8.190 nan 0.000 0.447 325 A N -1.137 121.691 122.820 0.012 0.000 1.969 325 A HA -0.186 4.135 4.320 0.001 0.000 0.218 325 A C 2.075 179.683 177.584 0.040 0.000 1.169 325 A CA 1.607 53.653 52.037 0.016 0.000 0.635 325 A CB -0.663 18.350 19.000 0.022 0.000 0.810 325 A HN 0.532 nan 8.150 nan 0.000 0.445 326 F N 0.495 120.396 119.950 -0.083 0.000 2.171 326 F HA -0.065 4.463 4.527 0.001 0.000 0.300 326 F C 1.701 177.433 175.800 -0.113 0.000 1.090 326 F CA 1.442 59.397 58.000 -0.075 0.000 1.293 326 F CB -0.053 38.922 39.000 -0.041 0.000 1.013 326 F HN 0.127 nan 8.300 nan 0.000 0.486 327 L N -0.257 120.991 121.223 0.042 0.000 2.478 327 L HA 0.001 4.342 4.340 0.001 0.000 0.223 327 L C 1.183 178.012 176.870 -0.068 0.000 1.140 327 L CA 0.173 54.992 54.840 -0.036 0.000 0.842 327 L CB -0.506 41.478 42.059 -0.124 0.000 0.953 327 L HN -0.079 nan 8.230 nan 0.000 0.452 328 R N 0.879 121.335 120.500 -0.073 0.000 2.490 328 R HA 0.454 4.795 4.340 0.001 0.000 0.278 328 R C 0.351 176.600 176.300 -0.086 0.000 1.069 328 R CA 0.004 56.064 56.100 -0.066 0.000 1.080 328 R CB 0.975 31.245 30.300 -0.050 0.000 1.030 328 R HN 0.070 nan 8.270 nan 0.000 0.491 329 A N 0.000 122.780 122.820 -0.067 0.000 2.254 329 A HA 0.000 4.321 4.320 0.001 0.000 0.244 329 A CA 0.000 51.996 52.037 -0.069 0.000 0.836 329 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 329 A HN 0.000 nan 8.150 nan 0.000 0.486