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 3h8f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MELVVKSVAA ASVKTATLVI PVGENRKLGA VAKAVDLASE GAISAVLKRG DATA SEQUENCE DLAGKPGQTL LLQNLQGLKA ERVLLVGSGK DEALGDRTWR KLVASVAGVL DATA SEQUENCE KGLNGADAVL ALDDVAVNNR DAHYGKYRLL AETLLDGEYV FDRFKSQKVE DATA SEQUENCE PRALKKVTLL ADKAGQAEVE RAVKHASAIA TGMAFTRDLG NLPPNLCHPS DATA SEQUENCE FLAEQAKELG KAHKALKVEV LDEKKIKDLG MGAFYAVGQG SDQPPRLIVL DATA SEQUENCE NYQGGKKADK PFVLVGKGIT FDTGGISLKP GAGMDEMKYD MCGAASVFGT DATA SEQUENCE LRAVLELQLP VNLVCLLACA ENMPSGGATR PGDIVTTMSG QTVEILNTDA DATA SEQUENCE EGRLVLCDTL TYAERFKPQA VIDIATLTGA CIVALGSHTT GLMGNNDDLV DATA SEQUENCE GQLLDAGKRA DDRAWQLPLF DEYQEQLDSP FADMGNIGGP KAGTITAGCF DATA SEQUENCE LSRFAKAYNW AHMDIAGTAW ISGGKDKGAT GRPVPLLTQY LLDRAGA 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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 E N 4.293 124.499 120.200 0.011 0.000 2.197 2 E HA 0.604 4.954 4.350 0.000 0.000 0.281 2 E C -1.805 174.800 176.600 0.009 0.000 0.995 2 E CA -0.524 55.882 56.400 0.009 0.000 0.808 2 E CB 1.336 31.039 29.700 0.006 0.000 1.093 2 E HN 0.657 nan 8.360 nan 0.000 0.394 3 L N 5.873 127.101 121.223 0.009 0.000 2.343 3 L HA 0.417 4.757 4.340 0.000 0.000 0.278 3 L C -0.453 176.415 176.870 -0.004 0.000 0.996 3 L CA -0.943 53.900 54.840 0.006 0.000 0.831 3 L CB 1.548 43.614 42.059 0.013 0.000 1.232 3 L HN 0.461 nan 8.230 nan 0.000 0.413 4 V N 1.857 121.765 119.914 -0.010 0.000 3.019 4 V HA 0.705 4.825 4.120 0.000 0.000 0.317 4 V C -0.350 175.721 176.094 -0.038 0.000 1.094 4 V CA -0.742 61.545 62.300 -0.020 0.000 1.000 4 V CB 2.243 34.057 31.823 -0.015 0.000 1.060 4 V HN 0.338 nan 8.190 nan 0.000 0.443 5 V N 1.887 121.772 119.914 -0.049 0.000 2.448 5 V HA 0.603 4.723 4.120 0.000 0.000 0.295 5 V C -0.067 175.994 176.094 -0.054 0.000 1.025 5 V CA -0.553 61.704 62.300 -0.073 0.000 0.859 5 V CB 1.248 33.012 31.823 -0.099 0.000 0.988 5 V HN 1.005 nan 8.190 nan 0.000 0.431 6 K N 1.708 122.078 120.400 -0.050 0.000 2.395 6 K HA 0.591 4.911 4.320 0.000 0.000 0.247 6 K C 0.182 176.761 176.600 -0.034 0.000 0.973 6 K CA -0.627 55.639 56.287 -0.035 0.000 0.828 6 K CB 2.151 34.639 32.500 -0.021 0.000 1.272 6 K HN 0.503 nan 8.250 nan 0.000 0.439 7 S N 1.134 116.818 115.700 -0.026 0.000 2.664 7 S HA 0.121 4.591 4.470 0.000 0.000 0.245 7 S C -0.015 174.579 174.600 -0.010 0.000 1.019 7 S CA -0.570 57.617 58.200 -0.021 0.000 0.996 7 S CB -0.173 63.011 63.200 -0.027 0.000 0.878 7 S HN 0.401 nan 8.310 nan 0.000 0.493 8 V N -0.060 119.850 119.914 -0.006 0.000 3.295 8 V HA 0.895 5.015 4.120 0.000 0.000 0.308 8 V C 0.591 176.688 176.094 0.005 0.000 1.068 8 V CA -0.809 61.490 62.300 -0.001 0.000 1.062 8 V CB 0.391 32.213 31.823 -0.001 0.000 1.162 8 V HN 0.313 nan 8.190 nan 0.000 0.456 9 A N 0.450 123.275 122.820 0.007 0.000 2.351 9 A HA 0.729 5.050 4.320 0.000 0.000 0.257 9 A C 1.389 178.981 177.584 0.014 0.000 1.087 9 A CA 0.121 52.166 52.037 0.012 0.000 0.798 9 A CB 0.488 19.494 19.000 0.011 0.000 1.033 9 A HN 1.813 nan 8.150 nan 0.000 0.488 10 A N 1.876 124.707 122.820 0.019 0.000 1.841 10 A HA 0.199 4.519 4.320 0.000 0.000 0.214 10 A C 2.373 179.967 177.584 0.017 0.000 1.195 10 A CA 2.132 54.182 52.037 0.022 0.000 0.611 10 A CB -1.257 17.760 19.000 0.029 0.000 0.835 10 A HN 1.797 nan 8.150 nan 0.000 0.443 11 A N 0.168 122.997 122.820 0.016 0.000 2.032 11 A HA -0.147 4.173 4.320 0.000 0.000 0.221 11 A C 2.393 179.983 177.584 0.010 0.000 1.165 11 A CA 2.430 54.474 52.037 0.013 0.000 0.645 11 A CB -0.879 18.128 19.000 0.012 0.000 0.807 11 A HN 1.109 nan 8.150 nan 0.000 0.453 12 S N -1.637 114.069 115.700 0.009 0.000 2.562 12 S HA 0.210 4.680 4.470 0.000 0.000 0.221 12 S C 0.461 175.064 174.600 0.006 0.000 0.975 12 S CA 0.458 58.662 58.200 0.007 0.000 0.918 12 S CB -0.389 62.815 63.200 0.006 0.000 0.772 12 S HN 0.343 nan 8.310 nan 0.000 0.531 13 V N 1.888 121.806 119.914 0.007 0.000 2.483 13 V HA 0.462 4.582 4.120 0.000 0.000 0.295 13 V C -0.375 175.723 176.094 0.006 0.000 1.035 13 V CA -1.058 61.246 62.300 0.006 0.000 0.896 13 V CB 1.611 33.438 31.823 0.006 0.000 0.986 13 V HN 0.420 nan 8.190 nan 0.000 0.447 14 K N 4.072 124.475 120.400 0.004 0.000 2.285 14 K HA 0.525 4.845 4.320 0.000 0.000 0.286 14 K C -0.545 176.058 176.600 0.004 0.000 1.072 14 K CA 0.007 56.296 56.287 0.004 0.000 0.913 14 K CB 0.932 33.434 32.500 0.003 0.000 1.067 14 K HN 0.827 nan 8.250 nan 0.000 0.479 15 T N 1.784 116.341 114.554 0.005 0.000 2.843 15 T HA 0.447 4.797 4.350 0.000 0.000 0.302 15 T C 0.585 175.288 174.700 0.005 0.000 1.232 15 T CA -0.006 62.097 62.100 0.005 0.000 1.009 15 T CB 1.496 70.368 68.868 0.007 0.000 1.254 15 T HN 0.548 nan 8.240 nan 0.000 0.504 16 A N 1.472 124.294 122.820 0.004 0.000 1.930 16 A HA 0.279 4.600 4.320 0.000 0.000 0.217 16 A C 0.856 178.443 177.584 0.005 0.000 1.175 16 A CA 1.328 53.367 52.037 0.004 0.000 0.627 16 A CB -0.355 18.646 19.000 0.003 0.000 0.815 16 A HN 0.790 nan 8.150 nan 0.000 0.443 17 T N -0.441 114.117 114.554 0.007 0.000 3.109 17 T HA 0.459 4.809 4.350 0.000 0.000 0.311 17 T C -1.263 173.444 174.700 0.012 0.000 1.011 17 T CA -0.447 61.658 62.100 0.008 0.000 1.026 17 T CB 1.534 70.406 68.868 0.007 0.000 1.047 17 T HN 0.231 nan 8.240 nan 0.000 0.448 18 L N 4.689 125.921 121.223 0.014 0.000 2.275 18 L HA 0.703 5.043 4.340 0.000 0.000 0.288 18 L C -0.794 176.090 176.870 0.023 0.000 1.046 18 L CA -0.362 54.489 54.840 0.019 0.000 0.805 18 L CB 0.902 42.972 42.059 0.019 0.000 1.193 18 L HN 0.496 nan 8.230 nan 0.000 0.426 19 V N 7.009 126.940 119.914 0.029 0.000 2.370 19 V HA 0.490 4.610 4.120 0.000 0.000 0.279 19 V C 0.169 176.291 176.094 0.047 0.000 1.029 19 V CA -0.431 61.889 62.300 0.033 0.000 0.870 19 V CB 0.840 32.681 31.823 0.031 0.000 0.984 19 V HN 0.755 nan 8.190 nan 0.000 0.451 20 I N 3.375 123.970 120.570 0.043 0.000 2.828 20 I HA 0.828 4.999 4.170 0.000 0.000 0.302 20 I C -2.843 173.304 176.117 0.051 0.000 1.101 20 I CA -2.662 58.669 61.300 0.051 0.000 1.031 20 I CB 2.894 40.919 38.000 0.042 0.000 1.231 20 I HN 0.348 nan 8.210 nan 0.000 0.427 21 P HA 0.407 nan 4.420 nan 0.000 0.286 21 P C -1.044 176.281 177.300 0.042 0.000 1.261 21 P CA -0.505 62.630 63.100 0.059 0.000 0.821 21 P CB 2.254 34.003 31.700 0.081 0.000 1.013 22 V N 1.944 121.879 119.914 0.035 0.000 2.709 22 V HA 0.564 4.684 4.120 0.000 0.000 0.308 22 V C 0.809 176.917 176.094 0.024 0.000 1.062 22 V CA -0.578 61.738 62.300 0.026 0.000 0.901 22 V CB 2.018 33.853 31.823 0.021 0.000 1.003 22 V HN 0.803 nan 8.190 nan 0.000 0.425 23 G N 2.164 110.975 108.800 0.019 0.000 2.606 23 G HA2 0.363 4.323 3.960 0.000 0.000 0.252 23 G HA3 0.363 4.323 3.960 0.000 0.000 0.252 23 G C -0.184 174.723 174.900 0.012 0.000 1.206 23 G CA -0.290 44.819 45.100 0.015 0.000 0.861 23 G HN 0.743 nan 8.290 nan 0.000 0.561 24 E N 0.573 120.779 120.200 0.010 0.000 2.414 24 E HA 0.016 4.366 4.350 0.000 0.000 0.263 24 E C 0.010 176.613 176.600 0.005 0.000 1.000 24 E CA 0.204 56.608 56.400 0.007 0.000 0.914 24 E CB 0.244 29.947 29.700 0.005 0.000 0.948 24 E HN 0.539 nan 8.360 nan 0.000 0.444 25 N N 3.198 121.900 118.700 0.004 0.000 2.999 25 N HA -0.193 4.547 4.740 0.000 0.000 0.242 25 N C -0.411 175.102 175.510 0.005 0.000 1.016 25 N CA 0.987 54.039 53.050 0.004 0.000 0.894 25 N CB -0.903 37.585 38.487 0.002 0.000 1.113 25 N HN 0.739 nan 8.380 nan 0.000 0.555 26 R N -1.601 118.902 120.500 0.006 0.000 3.892 26 R HA -0.161 4.179 4.340 0.000 0.000 0.441 26 R C -0.024 176.281 176.300 0.008 0.000 1.052 26 R CA 1.295 57.400 56.100 0.007 0.000 1.190 26 R CB -1.230 29.073 30.300 0.006 0.000 1.808 26 R HN 0.317 nan 8.270 nan 0.000 0.538 27 K N 1.529 121.934 120.400 0.008 0.000 2.350 27 K HA 0.244 4.565 4.320 0.000 0.000 0.279 27 K C -0.234 176.373 176.600 0.011 0.000 1.027 27 K CA 0.275 56.567 56.287 0.008 0.000 0.969 27 K CB 0.418 32.921 32.500 0.006 0.000 0.954 27 K HN 0.051 nan 8.250 nan 0.000 0.474 28 L N 2.925 124.154 121.223 0.010 0.000 2.325 28 L HA 0.368 4.709 4.340 0.000 0.000 0.281 28 L C 0.765 177.642 176.870 0.012 0.000 1.004 28 L CA -0.899 53.949 54.840 0.013 0.000 0.823 28 L CB 1.824 43.891 42.059 0.013 0.000 1.236 28 L HN 0.720 nan 8.230 nan 0.000 0.415 29 G N 1.006 109.814 108.800 0.014 0.000 2.588 29 G HA2 0.393 4.353 3.960 0.000 0.000 0.278 29 G HA3 0.393 4.353 3.960 0.000 0.000 0.278 29 G C 0.983 175.892 174.900 0.016 0.000 1.307 29 G CA 0.168 45.276 45.100 0.012 0.000 1.016 29 G HN 0.783 nan 8.290 nan 0.000 0.503 30 A N -1.104 121.726 122.820 0.015 0.000 1.873 30 A HA -0.069 4.251 4.320 0.000 0.000 0.218 30 A C 2.569 180.166 177.584 0.021 0.000 1.193 30 A CA 2.356 54.403 52.037 0.017 0.000 0.629 30 A CB -0.852 18.158 19.000 0.017 0.000 0.826 30 A HN 0.584 nan 8.150 nan 0.000 0.447 31 V N -0.153 119.778 119.914 0.028 0.000 2.295 31 V HA -0.238 3.882 4.120 0.000 0.000 0.246 31 V C 3.058 179.170 176.094 0.030 0.000 1.049 31 V CA 1.956 64.275 62.300 0.033 0.000 1.024 31 V CB -1.448 30.402 31.823 0.045 0.000 0.648 31 V HN 0.634 nan 8.190 nan 0.000 0.447 32 A N -0.314 122.524 122.820 0.030 0.000 1.908 32 A HA -0.276 4.044 4.320 0.000 0.000 0.218 32 A C 2.329 179.926 177.584 0.020 0.000 1.181 32 A CA 2.202 54.255 52.037 0.026 0.000 0.627 32 A CB -0.465 18.550 19.000 0.026 0.000 0.818 32 A HN 0.553 nan 8.150 nan 0.000 0.445 33 K N -0.683 119.728 120.400 0.018 0.000 2.062 33 K HA 0.019 4.340 4.320 0.000 0.000 0.205 33 K C 2.292 178.900 176.600 0.014 0.000 1.051 33 K CA 0.942 57.238 56.287 0.014 0.000 0.941 33 K CB -0.273 32.234 32.500 0.012 0.000 0.719 33 K HN 0.440 nan 8.250 nan 0.000 0.440 34 A N 0.942 123.771 122.820 0.015 0.000 1.972 34 A HA -0.105 4.215 4.320 0.000 0.000 0.219 34 A C 2.268 179.861 177.584 0.014 0.000 1.169 34 A CA 1.240 53.286 52.037 0.015 0.000 0.635 34 A CB -0.445 18.565 19.000 0.016 0.000 0.810 34 A HN 0.061 nan 8.150 nan 0.000 0.446 35 V N 0.229 120.153 119.914 0.017 0.000 2.323 35 V HA -0.218 3.902 4.120 0.000 0.000 0.244 35 V C 2.341 178.443 176.094 0.013 0.000 1.041 35 V CA 2.299 64.609 62.300 0.016 0.000 1.025 35 V CB -0.767 31.067 31.823 0.019 0.000 0.656 35 V HN 0.688 nan 8.190 nan 0.000 0.451 36 D N 0.059 120.467 120.400 0.013 0.000 2.116 36 D HA -0.217 4.423 4.640 0.000 0.000 0.193 36 D C 2.107 178.413 176.300 0.010 0.000 0.998 36 D CA 1.570 55.576 54.000 0.011 0.000 0.836 36 D CB -0.183 40.624 40.800 0.011 0.000 0.951 36 D HN 0.347 nan 8.370 nan 0.000 0.449 37 L N -0.390 120.839 121.223 0.010 0.000 2.093 37 L HA -0.083 4.258 4.340 0.000 0.000 0.208 37 L C 2.272 179.147 176.870 0.008 0.000 1.085 37 L CA 1.339 56.184 54.840 0.008 0.000 0.755 37 L CB -0.323 41.741 42.059 0.008 0.000 0.904 37 L HN 0.131 nan 8.230 nan 0.000 0.435 38 A N -0.728 122.097 122.820 0.009 0.000 1.969 38 A HA -0.178 4.142 4.320 0.000 0.000 0.218 38 A C 2.253 179.842 177.584 0.007 0.000 1.169 38 A CA 1.535 53.577 52.037 0.008 0.000 0.635 38 A CB -0.591 18.415 19.000 0.009 0.000 0.810 38 A HN 0.582 nan 8.150 nan 0.000 0.445 39 S N -0.911 114.794 115.700 0.008 0.000 2.650 39 S HA 0.156 4.626 4.470 0.000 0.000 0.219 39 S C 0.253 174.857 174.600 0.006 0.000 0.960 39 S CA 0.681 58.886 58.200 0.007 0.000 0.925 39 S CB -0.492 62.713 63.200 0.008 0.000 0.775 39 S HN 0.550 nan 8.310 nan 0.000 0.525 40 E N 0.032 120.236 120.200 0.006 0.000 2.389 40 E HA -0.178 4.172 4.350 0.000 0.000 0.243 40 E C 0.757 177.360 176.600 0.005 0.000 1.154 40 E CA 0.456 56.860 56.400 0.006 0.000 0.723 40 E CB -1.873 27.830 29.700 0.005 0.000 1.261 40 E HN 1.018 nan 8.360 nan 0.000 0.390 41 G N -1.903 106.900 108.800 0.006 0.000 2.157 41 G HA2 -0.324 3.636 3.960 0.000 0.000 0.248 41 G HA3 -0.324 3.636 3.960 0.000 0.000 0.248 41 G C 0.990 175.894 174.900 0.006 0.000 0.979 41 G CA 0.693 45.797 45.100 0.006 0.000 0.650 41 G HN 0.829 nan 8.290 nan 0.000 0.529 42 A N 0.267 123.091 122.820 0.006 0.000 1.851 42 A HA 0.159 4.479 4.320 0.000 0.000 0.216 42 A C 2.365 179.953 177.584 0.007 0.000 1.195 42 A CA 1.989 54.030 52.037 0.006 0.000 0.622 42 A CB -0.449 18.555 19.000 0.006 0.000 0.831 42 A HN 0.875 nan 8.150 nan 0.000 0.444 43 I N -0.712 119.863 120.570 0.008 0.000 2.087 43 I HA -0.305 3.866 4.170 0.000 0.000 0.240 43 I C 2.832 178.954 176.117 0.008 0.000 1.054 43 I CA 1.825 63.130 61.300 0.009 0.000 1.311 43 I CB -0.458 37.549 38.000 0.011 0.000 1.024 43 I HN 0.360 nan 8.210 nan 0.000 0.402 44 S N -0.036 115.669 115.700 0.008 0.000 2.387 44 S HA -0.240 4.230 4.470 0.000 0.000 0.230 44 S C 2.151 176.755 174.600 0.006 0.000 1.035 44 S CA 1.485 59.690 58.200 0.007 0.000 1.014 44 S CB -0.326 62.878 63.200 0.007 0.000 0.836 44 S HN 0.513 nan 8.310 nan 0.000 0.466 45 A N 0.658 123.481 122.820 0.006 0.000 1.883 45 A HA -0.064 4.256 4.320 0.000 0.000 0.217 45 A C 2.298 179.885 177.584 0.005 0.000 1.186 45 A CA 1.920 53.960 52.037 0.005 0.000 0.624 45 A CB -1.034 17.969 19.000 0.004 0.000 0.822 45 A HN 0.434 nan 8.150 nan 0.000 0.444 46 V N 0.152 120.069 119.914 0.005 0.000 2.295 46 V HA -0.276 3.844 4.120 0.000 0.000 0.246 46 V C 2.558 178.655 176.094 0.005 0.000 1.049 46 V CA 1.932 64.235 62.300 0.005 0.000 1.024 46 V CB -0.927 30.899 31.823 0.006 0.000 0.648 46 V HN 0.564 nan 8.190 nan 0.000 0.447 47 L N -0.180 121.047 121.223 0.006 0.000 2.013 47 L HA -0.282 4.058 4.340 0.000 0.000 0.212 47 L C 2.632 179.506 176.870 0.005 0.000 1.073 47 L CA 2.127 56.970 54.840 0.006 0.000 0.753 47 L CB -0.633 41.431 42.059 0.007 0.000 0.890 47 L HN 0.324 nan 8.230 nan 0.000 0.432 48 K N 0.061 120.464 120.400 0.005 0.000 2.293 48 K HA -0.217 4.104 4.320 0.000 0.000 0.204 48 K C 2.101 178.703 176.600 0.003 0.000 1.045 48 K CA 1.322 57.612 56.287 0.004 0.000 0.933 48 K CB 0.019 32.521 32.500 0.004 0.000 0.736 48 K HN 0.247 nan 8.250 nan 0.000 0.463 49 R N -1.427 119.075 120.500 0.004 0.000 2.236 49 R HA 0.000 4.340 4.340 0.000 0.000 0.208 49 R C 1.091 177.392 176.300 0.003 0.000 1.036 49 R CA 0.725 56.827 56.100 0.003 0.000 1.001 49 R CB 0.262 30.563 30.300 0.003 0.000 0.896 49 R HN 0.454 nan 8.270 nan 0.000 0.464 50 G N 1.050 109.852 108.800 0.003 0.000 2.141 50 G HA2 -0.237 3.723 3.960 0.000 0.000 0.242 50 G HA3 -0.237 3.723 3.960 0.000 0.000 0.242 50 G C 0.225 175.127 174.900 0.003 0.000 0.982 50 G CA 0.384 45.486 45.100 0.003 0.000 0.662 50 G HN 0.271 nan 8.290 nan 0.000 0.527 51 D N -0.641 119.761 120.400 0.003 0.000 2.144 51 D HA 0.021 4.661 4.640 0.000 0.000 0.199 51 D C 1.350 177.652 176.300 0.004 0.000 0.984 51 D CA 0.923 54.925 54.000 0.003 0.000 0.834 51 D CB 0.134 40.936 40.800 0.003 0.000 0.955 51 D HN 0.508 nan 8.370 nan 0.000 0.465 52 L N 0.294 121.520 121.223 0.005 0.000 2.262 52 L HA 0.473 4.813 4.340 0.000 0.000 0.288 52 L C 0.804 177.678 176.870 0.006 0.000 1.035 52 L CA -0.431 54.413 54.840 0.005 0.000 0.820 52 L CB 1.235 43.298 42.059 0.007 0.000 1.204 52 L HN -0.131 nan 8.230 nan 0.000 0.424 53 A N 3.725 126.548 122.820 0.005 0.000 2.067 53 A HA 0.372 4.693 4.320 0.000 0.000 0.217 53 A C 1.561 179.149 177.584 0.007 0.000 1.156 53 A CA 0.699 52.739 52.037 0.005 0.000 0.683 53 A CB -0.692 18.310 19.000 0.004 0.000 0.808 53 A HN 1.627 nan 8.150 nan 0.000 0.455 54 G N -0.693 108.112 108.800 0.008 0.000 2.136 54 G HA2 -0.239 3.721 3.960 0.000 0.000 0.242 54 G HA3 -0.239 3.721 3.960 0.000 0.000 0.242 54 G C 0.139 175.046 174.900 0.012 0.000 0.989 54 G CA 0.352 45.459 45.100 0.012 0.000 0.682 54 G HN 0.539 nan 8.290 nan 0.000 0.522 55 K N 1.116 121.521 120.400 0.009 0.000 2.355 55 K HA 0.279 4.599 4.320 0.000 0.000 0.270 55 K C -2.113 174.494 176.600 0.012 0.000 1.003 55 K CA -1.270 55.023 56.287 0.009 0.000 0.957 55 K CB 0.650 33.153 32.500 0.005 0.000 0.939 55 K HN 0.086 nan 8.250 nan 0.000 0.482 56 P HA -0.107 nan 4.420 nan 0.000 0.262 56 P C 0.658 177.963 177.300 0.009 0.000 1.182 56 P CA 0.803 63.916 63.100 0.022 0.000 0.761 56 P CB 0.369 32.086 31.700 0.028 0.000 0.795 57 G N 2.158 110.961 108.800 0.006 0.000 2.212 57 G HA2 -0.284 3.676 3.960 0.000 0.000 0.266 57 G HA3 -0.284 3.676 3.960 0.000 0.000 0.266 57 G C 0.241 175.138 174.900 -0.005 0.000 0.978 57 G CA -0.082 45.012 45.100 -0.009 0.000 0.632 57 G HN 0.588 nan 8.290 nan 0.000 0.537 58 Q N 1.120 120.920 119.800 0.001 0.000 2.395 58 Q HA 0.485 4.825 4.340 0.000 0.000 0.271 58 Q C 0.670 176.672 176.000 0.003 0.000 1.026 58 Q CA 1.092 56.896 55.803 0.002 0.000 0.900 58 Q CB 0.670 29.411 28.738 0.004 0.000 1.266 58 Q HN 0.615 nan 8.270 nan 0.000 0.430 59 T N -0.619 113.936 114.554 0.002 0.000 2.896 59 T HA 0.728 5.078 4.350 0.000 0.000 0.297 59 T C -1.029 173.674 174.700 0.004 0.000 1.108 59 T CA -0.937 61.165 62.100 0.003 0.000 1.004 59 T CB 1.113 69.981 68.868 -0.000 0.000 1.159 59 T HN 0.491 nan 8.240 nan 0.000 0.499 60 L N 2.053 123.279 121.223 0.005 0.000 2.439 60 L HA 0.679 5.019 4.340 0.000 0.000 0.270 60 L C -1.734 175.139 176.870 0.006 0.000 0.972 60 L CA -1.187 53.656 54.840 0.005 0.000 0.836 60 L CB 1.832 43.895 42.059 0.006 0.000 1.255 60 L HN 0.754 nan 8.230 nan 0.000 0.404 61 L N 5.599 126.825 121.223 0.004 0.000 2.282 61 L HA 0.607 4.947 4.340 0.000 0.000 0.288 61 L C -1.153 175.720 176.870 0.005 0.000 1.033 61 L CA 0.071 54.914 54.840 0.005 0.000 0.807 61 L CB 1.250 43.311 42.059 0.003 0.000 1.209 61 L HN 0.524 nan 8.230 nan 0.000 0.423 62 L N 4.486 125.712 121.223 0.006 0.000 2.303 62 L HA 0.621 4.961 4.340 0.000 0.000 0.266 62 L C -0.349 176.524 176.870 0.005 0.000 1.011 62 L CA -0.766 54.078 54.840 0.006 0.000 0.818 62 L CB 2.045 44.108 42.059 0.007 0.000 1.326 62 L HN 0.618 nan 8.230 nan 0.000 0.435 63 Q N 0.102 119.905 119.800 0.005 0.000 2.528 63 Q HA 0.283 4.623 4.340 0.000 0.000 0.289 63 Q C -1.118 174.884 176.000 0.004 0.000 1.091 63 Q CA -1.098 54.707 55.803 0.004 0.000 0.797 63 Q CB 2.054 30.794 28.738 0.003 0.000 1.466 63 Q HN 0.685 nan 8.270 nan 0.000 0.436 64 N N 0.606 119.309 118.700 0.004 0.000 2.412 64 N HA 0.065 4.805 4.740 0.000 0.000 0.254 64 N C -1.228 174.284 175.510 0.004 0.000 1.232 64 N CA 0.439 53.491 53.050 0.004 0.000 0.880 64 N CB 0.397 38.886 38.487 0.003 0.000 1.076 64 N HN 0.420 nan 8.380 nan 0.000 0.458 65 L N 0.873 122.099 121.223 0.005 0.000 2.305 65 L HA 0.306 4.647 4.340 0.000 0.000 0.284 65 L C 0.599 177.472 176.870 0.005 0.000 1.013 65 L CA -0.958 53.885 54.840 0.005 0.000 0.819 65 L CB 1.478 43.541 42.059 0.006 0.000 1.227 65 L HN 0.637 nan 8.230 nan 0.000 0.417 66 Q N 2.218 122.021 119.800 0.004 0.000 2.262 66 Q HA 0.162 4.502 4.340 0.000 0.000 0.298 66 Q C 0.992 176.995 176.000 0.005 0.000 1.083 66 Q CA 1.392 57.197 55.803 0.004 0.000 0.962 66 Q CB 0.365 29.105 28.738 0.004 0.000 1.104 66 Q HN 0.925 nan 8.270 nan 0.000 0.376 67 G N 3.051 111.854 108.800 0.005 0.000 2.211 67 G HA2 -0.191 3.769 3.960 0.000 0.000 0.201 67 G HA3 -0.191 3.769 3.960 0.000 0.000 0.201 67 G C -0.256 174.647 174.900 0.006 0.000 0.997 67 G CA -0.052 45.051 45.100 0.005 0.000 0.652 67 G HN 0.523 nan 8.290 nan 0.000 0.500 68 L N -0.639 120.587 121.223 0.006 0.000 2.303 68 L HA 0.680 5.020 4.340 0.000 0.000 0.266 68 L C 1.116 177.990 176.870 0.006 0.000 1.011 68 L CA -1.009 53.835 54.840 0.007 0.000 0.818 68 L CB 1.704 43.768 42.059 0.008 0.000 1.326 68 L HN -0.032 nan 8.230 nan 0.000 0.435 69 K N 0.365 120.769 120.400 0.007 0.000 2.358 69 K HA 0.348 4.668 4.320 0.000 0.000 0.200 69 K C -0.059 176.545 176.600 0.006 0.000 1.030 69 K CA -0.183 56.107 56.287 0.006 0.000 1.097 69 K CB 1.075 33.578 32.500 0.005 0.000 0.862 69 K HN 0.624 nan 8.250 nan 0.000 0.534 70 A N 1.142 123.966 122.820 0.007 0.000 2.309 70 A HA 0.179 4.499 4.320 0.000 0.000 0.298 70 A C 0.569 178.157 177.584 0.006 0.000 1.165 70 A CA -0.435 51.607 52.037 0.007 0.000 0.821 70 A CB 0.580 19.586 19.000 0.009 0.000 1.102 70 A HN 0.222 nan 8.150 nan 0.000 0.500 71 E N 1.098 121.301 120.200 0.005 0.000 2.077 71 E HA -0.140 4.210 4.350 0.000 0.000 0.193 71 E C 0.199 176.802 176.600 0.005 0.000 0.989 71 E CA 1.098 57.501 56.400 0.004 0.000 0.800 71 E CB 0.057 29.759 29.700 0.003 0.000 0.746 71 E HN 0.686 nan 8.360 nan 0.000 0.452 72 R N -0.262 120.241 120.500 0.006 0.000 2.854 72 R HA 0.525 4.865 4.340 0.000 0.000 0.271 72 R C -1.308 174.996 176.300 0.008 0.000 0.994 72 R CA -0.690 55.413 56.100 0.006 0.000 0.945 72 R CB 2.483 32.786 30.300 0.005 0.000 1.194 72 R HN -0.177 nan 8.270 nan 0.000 0.476 73 V N 2.750 122.669 119.914 0.009 0.000 2.378 73 V HA 0.297 4.418 4.120 0.000 0.000 0.288 73 V C -1.088 175.013 176.094 0.011 0.000 1.016 73 V CA -0.759 61.547 62.300 0.011 0.000 0.840 73 V CB 1.643 33.473 31.823 0.012 0.000 0.994 73 V HN 0.455 nan 8.190 nan 0.000 0.431 74 L N 7.198 128.428 121.223 0.013 0.000 2.262 74 L HA 0.555 4.895 4.340 0.000 0.000 0.288 74 L C -0.454 176.426 176.870 0.015 0.000 1.035 74 L CA 0.209 55.056 54.840 0.011 0.000 0.820 74 L CB 0.836 42.900 42.059 0.008 0.000 1.204 74 L HN 0.510 nan 8.230 nan 0.000 0.424 75 L N 5.869 127.100 121.223 0.014 0.000 2.305 75 L HA 0.522 4.862 4.340 0.000 0.000 0.281 75 L C -0.195 176.684 176.870 0.016 0.000 1.085 75 L CA -0.546 54.304 54.840 0.017 0.000 0.813 75 L CB 1.426 43.494 42.059 0.015 0.000 1.157 75 L HN 0.436 nan 8.230 nan 0.000 0.436 76 V N 2.901 122.827 119.914 0.021 0.000 2.540 76 V HA 0.706 4.826 4.120 0.000 0.000 0.302 76 V C 0.428 176.537 176.094 0.026 0.000 1.035 76 V CA -0.337 61.974 62.300 0.018 0.000 0.873 76 V CB 1.865 33.696 31.823 0.013 0.000 0.992 76 V HN 0.796 nan 8.190 nan 0.000 0.428 77 G N 3.734 112.546 108.800 0.021 0.000 2.441 77 G HA2 0.391 4.351 3.960 0.000 0.000 0.243 77 G HA3 0.391 4.351 3.960 0.000 0.000 0.243 77 G C 0.645 175.568 174.900 0.037 0.000 1.281 77 G CA 0.318 45.432 45.100 0.024 0.000 0.854 77 G HN 1.519 nan 8.290 nan 0.000 0.560 78 S N 0.672 116.396 115.700 0.040 0.000 2.819 78 S HA 0.512 4.982 4.470 0.000 0.000 0.249 78 S C 1.214 175.837 174.600 0.039 0.000 1.030 78 S CA 0.561 58.794 58.200 0.055 0.000 1.052 78 S CB -0.124 63.117 63.200 0.068 0.000 1.017 78 S HN 2.264 nan 8.310 nan 0.000 0.576 79 G N 2.402 111.217 108.800 0.026 0.000 2.692 79 G HA2 -0.245 3.715 3.960 0.000 0.000 0.248 79 G HA3 -0.245 3.715 3.960 0.000 0.000 0.248 79 G C -0.463 174.442 174.900 0.010 0.000 1.340 79 G CA -0.412 44.697 45.100 0.016 0.000 0.896 79 G HN 0.554 nan 8.290 nan 0.000 0.570 80 K N -0.067 120.335 120.400 0.004 0.000 2.542 80 K HA -0.033 4.287 4.320 0.000 0.000 0.276 80 K C 1.039 177.636 176.600 -0.004 0.000 0.963 80 K CA 0.758 57.044 56.287 -0.001 0.000 0.975 80 K CB 0.227 32.724 32.500 -0.004 0.000 0.901 80 K HN 0.566 nan 8.250 nan 0.000 0.506 81 D N 2.142 122.538 120.400 -0.007 0.000 2.392 81 D HA -0.089 4.551 4.640 0.000 0.000 0.228 81 D C 0.284 176.572 176.300 -0.020 0.000 1.003 81 D CA 0.497 54.490 54.000 -0.011 0.000 0.917 81 D CB 0.204 40.998 40.800 -0.010 0.000 0.890 81 D HN 0.523 nan 8.370 nan 0.000 0.532 82 E N -0.481 119.706 120.200 -0.021 0.000 2.428 82 E HA 0.251 4.601 4.350 0.000 0.000 0.257 82 E C -0.158 176.416 176.600 -0.043 0.000 1.197 82 E CA -0.696 55.687 56.400 -0.029 0.000 0.974 82 E CB 0.592 30.277 29.700 -0.024 0.000 0.976 82 E HN 0.009 nan 8.360 nan 0.000 0.463 83 A N 2.120 124.906 122.820 -0.057 0.000 2.450 83 A HA 0.255 4.575 4.320 0.000 0.000 0.255 83 A C 0.236 177.776 177.584 -0.073 0.000 1.096 83 A CA -0.466 51.519 52.037 -0.086 0.000 0.778 83 A CB -0.062 18.881 19.000 -0.095 0.000 1.031 83 A HN 0.531 nan 8.150 nan 0.000 0.494 84 L N 2.448 123.618 121.223 -0.089 0.000 2.417 84 L HA 0.387 4.727 4.340 0.000 0.000 0.268 84 L C 1.350 178.205 176.870 -0.026 0.000 1.158 84 L CA -0.407 54.414 54.840 -0.031 0.000 0.819 84 L CB 0.563 42.640 42.059 0.031 0.000 1.112 84 L HN 0.861 nan 8.230 nan 0.000 0.458 85 G N 0.413 109.217 108.800 0.006 0.000 2.594 85 G HA2 0.018 3.978 3.960 0.000 0.000 0.243 85 G HA3 0.018 3.978 3.960 0.000 0.000 0.243 85 G C 0.447 175.387 174.900 0.065 0.000 1.229 85 G CA -0.410 44.698 45.100 0.013 0.000 0.843 85 G HN 0.754 nan 8.290 nan 0.000 0.578 86 D N 0.387 120.823 120.400 0.060 0.000 2.126 86 D HA -0.181 4.459 4.640 0.000 0.000 0.190 86 D C 2.397 178.766 176.300 0.116 0.000 1.001 86 D CA 1.302 55.371 54.000 0.116 0.000 0.841 86 D CB -0.008 40.833 40.800 0.067 0.000 0.949 86 D HN 0.468 nan 8.370 nan 0.000 0.446 87 R N 0.368 120.898 120.500 0.050 0.000 2.081 87 R HA -0.074 4.267 4.340 0.000 0.000 0.235 87 R C 2.088 178.407 176.300 0.031 0.000 1.131 87 R CA 1.894 58.005 56.100 0.018 0.000 0.960 87 R CB -0.829 29.458 30.300 -0.022 0.000 0.856 87 R HN 0.106 nan 8.270 nan 0.000 0.436 88 T N -0.063 114.525 114.554 0.056 0.000 2.821 88 T HA -0.145 4.205 4.350 0.000 0.000 0.267 88 T C 1.341 176.113 174.700 0.121 0.000 1.046 88 T CA 1.164 63.302 62.100 0.065 0.000 1.139 88 T CB -0.463 68.441 68.868 0.060 0.000 0.871 88 T HN 0.480 nan 8.240 nan 0.000 0.454 89 W N 2.477 123.747 121.300 -0.051 0.000 2.358 89 W HA -0.148 4.512 4.660 0.000 0.000 0.303 89 W C 2.044 178.530 176.519 -0.055 0.000 1.208 89 W CA 0.860 58.168 57.345 -0.062 0.000 1.274 89 W CB -0.122 29.290 29.460 -0.080 0.000 1.138 89 W HN 0.179 nan 8.180 nan 0.000 0.515 90 R N 0.296 120.715 120.500 -0.135 0.000 2.148 90 R HA -0.090 4.250 4.340 0.000 0.000 0.223 90 R C 2.244 178.426 176.300 -0.196 0.000 1.088 90 R CA 1.237 57.183 56.100 -0.257 0.000 0.985 90 R CB -0.286 29.942 30.300 -0.120 0.000 0.880 90 R HN 0.175 nan 8.270 nan 0.000 0.451 91 K N 0.676 121.008 120.400 -0.113 0.000 2.025 91 K HA -0.089 4.231 4.320 0.000 0.000 0.207 91 K C 2.030 178.565 176.600 -0.108 0.000 1.049 91 K CA 0.784 57.019 56.287 -0.087 0.000 0.933 91 K CB -0.262 32.214 32.500 -0.041 0.000 0.714 91 K HN 0.044 nan 8.250 nan 0.000 0.438 92 L N 1.688 122.843 121.223 -0.113 0.000 2.013 92 L HA -0.178 4.163 4.340 0.000 0.000 0.212 92 L C 2.003 178.754 176.870 -0.199 0.000 1.073 92 L CA 1.772 56.544 54.840 -0.114 0.000 0.753 92 L CB -0.986 41.038 42.059 -0.058 0.000 0.890 92 L HN -0.051 nan 8.230 nan 0.000 0.432 93 V N 0.873 120.568 119.914 -0.364 0.000 2.295 93 V HA -0.262 3.858 4.120 0.000 0.000 0.246 93 V C 3.013 178.986 176.094 -0.202 0.000 1.049 93 V CA 1.790 63.871 62.300 -0.365 0.000 1.024 93 V CB -1.493 30.001 31.823 -0.548 0.000 0.648 93 V HN 0.634 nan 8.190 nan 0.000 0.447 94 A N -0.260 122.458 122.820 -0.170 0.000 2.019 94 A HA -0.190 4.130 4.320 0.000 0.000 0.219 94 A C 2.439 179.980 177.584 -0.072 0.000 1.164 94 A CA 2.145 54.122 52.037 -0.100 0.000 0.644 94 A CB -0.568 18.385 19.000 -0.078 0.000 0.805 94 A HN 0.546 nan 8.150 nan 0.000 0.449 95 S N -0.479 115.177 115.700 -0.074 0.000 2.368 95 S HA -0.102 4.368 4.470 0.000 0.000 0.224 95 S C 1.851 176.426 174.600 -0.042 0.000 1.029 95 S CA 1.220 59.392 58.200 -0.047 0.000 0.988 95 S CB -0.482 62.695 63.200 -0.038 0.000 0.838 95 S HN 0.330 nan 8.310 nan 0.000 0.462 96 V N 2.137 122.017 119.914 -0.057 0.000 2.332 96 V HA -0.229 3.892 4.120 0.000 0.000 0.248 96 V C 2.665 178.737 176.094 -0.036 0.000 1.055 96 V CA 1.830 64.103 62.300 -0.045 0.000 1.038 96 V CB -1.112 30.676 31.823 -0.059 0.000 0.651 96 V HN 0.558 nan 8.190 nan 0.000 0.450 97 A N 0.083 122.875 122.820 -0.046 0.000 1.930 97 A HA -0.023 4.298 4.320 0.000 0.000 0.217 97 A C 2.391 179.964 177.584 -0.019 0.000 1.175 97 A CA 1.675 53.694 52.037 -0.031 0.000 0.627 97 A CB -1.057 17.922 19.000 -0.036 0.000 0.815 97 A HN 0.532 nan 8.150 nan 0.000 0.443 98 G N -0.520 108.269 108.800 -0.020 0.000 2.422 98 G HA2 -0.084 3.876 3.960 0.000 0.000 0.218 98 G HA3 -0.084 3.876 3.960 0.000 0.000 0.218 98 G C 1.481 176.377 174.900 -0.008 0.000 1.146 98 G CA 1.242 46.336 45.100 -0.011 0.000 0.769 98 G HN 0.300 nan 8.290 nan 0.000 0.547 99 V N 1.047 120.955 119.914 -0.011 0.000 2.270 99 V HA -0.091 4.029 4.120 0.000 0.000 0.245 99 V C 2.887 178.978 176.094 -0.005 0.000 1.043 99 V CA 1.402 63.698 62.300 -0.007 0.000 1.014 99 V CB -0.495 31.324 31.823 -0.007 0.000 0.645 99 V HN 0.340 nan 8.190 nan 0.000 0.447 100 L N -0.401 120.818 121.223 -0.007 0.000 2.187 100 L HA -0.194 4.147 4.340 0.000 0.000 0.213 100 L C 2.403 179.271 176.870 -0.003 0.000 1.100 100 L CA 1.549 56.386 54.840 -0.004 0.000 0.765 100 L CB -0.641 41.415 42.059 -0.005 0.000 0.904 100 L HN 0.323 nan 8.230 nan 0.000 0.437 101 K N -0.151 120.247 120.400 -0.003 0.000 2.432 101 K HA 0.014 4.334 4.320 0.000 0.000 0.196 101 K C 1.807 178.406 176.600 -0.002 0.000 1.038 101 K CA 0.752 57.037 56.287 -0.002 0.000 0.986 101 K CB 0.019 32.519 32.500 -0.000 0.000 0.782 101 K HN 0.339 nan 8.250 nan 0.000 0.485 102 G N 0.585 109.384 108.800 -0.002 0.000 3.088 102 G HA2 0.129 4.089 3.960 0.000 0.000 0.217 102 G HA3 0.129 4.089 3.960 0.000 0.000 0.217 102 G C 0.352 175.251 174.900 -0.002 0.000 1.159 102 G CA -0.255 44.844 45.100 -0.002 0.000 0.760 102 G HN -0.014 nan 8.290 nan 0.000 0.550 103 L N 0.366 121.588 121.223 -0.002 0.000 2.357 103 L HA 0.291 4.631 4.340 0.000 0.000 0.273 103 L C 0.830 177.699 176.870 -0.002 0.000 1.080 103 L CA -0.742 54.097 54.840 -0.001 0.000 0.803 103 L CB 1.343 43.402 42.059 -0.001 0.000 1.174 103 L HN -0.033 nan 8.230 nan 0.000 0.443 104 N N 0.827 119.526 118.700 -0.002 0.000 2.416 104 N HA 0.063 4.803 4.740 0.000 0.000 0.215 104 N C 0.104 175.613 175.510 -0.002 0.000 1.208 104 N CA -0.114 52.935 53.050 -0.002 0.000 0.834 104 N CB 0.202 38.687 38.487 -0.003 0.000 1.072 104 N HN 0.718 nan 8.380 nan 0.000 0.472 105 G N -1.683 107.117 108.800 -0.001 0.000 2.400 105 G HA2 0.513 4.473 3.960 0.000 0.000 0.301 105 G HA3 0.513 4.473 3.960 0.000 0.000 0.301 105 G C 0.743 175.642 174.900 -0.001 0.000 1.154 105 G CA -0.245 44.854 45.100 -0.000 0.000 0.852 105 G HN 0.260 nan 8.290 nan 0.000 0.511 106 A N 0.883 123.703 122.820 -0.001 0.000 2.014 106 A HA 0.204 4.524 4.320 0.000 0.000 0.218 106 A C 1.072 178.657 177.584 0.000 0.000 1.163 106 A CA 1.739 53.776 52.037 -0.001 0.000 0.652 106 A CB -0.234 18.766 19.000 -0.001 0.000 0.808 106 A HN 0.782 nan 8.150 nan 0.000 0.449 107 D N -2.887 117.514 120.400 0.002 0.000 2.643 107 D HA 0.627 5.267 4.640 0.000 0.000 0.283 107 D C -0.907 175.396 176.300 0.005 0.000 1.242 107 D CA 0.111 54.113 54.000 0.003 0.000 0.863 107 D CB 1.192 41.993 40.800 0.003 0.000 1.382 107 D HN 0.446 nan 8.370 nan 0.000 0.444 108 A N -0.197 122.628 122.820 0.007 0.000 2.594 108 A HA 0.589 4.910 4.320 0.000 0.000 0.295 108 A C -1.615 175.977 177.584 0.014 0.000 1.071 108 A CA -0.677 51.366 52.037 0.010 0.000 0.685 108 A CB 1.863 20.869 19.000 0.009 0.000 1.285 108 A HN 0.383 nan 8.150 nan 0.000 0.405 109 V N 2.571 122.496 119.914 0.018 0.000 2.384 109 V HA 0.383 4.503 4.120 0.000 0.000 0.287 109 V C -0.435 175.681 176.094 0.038 0.000 1.020 109 V CA -0.342 61.972 62.300 0.024 0.000 0.850 109 V CB 1.311 33.146 31.823 0.020 0.000 0.987 109 V HN 0.699 nan 8.190 nan 0.000 0.436 110 L N 4.627 125.882 121.223 0.053 0.000 2.260 110 L HA 0.654 4.994 4.340 0.000 0.000 0.289 110 L C 0.522 177.456 176.870 0.107 0.000 1.057 110 L CA -0.317 54.575 54.840 0.086 0.000 0.811 110 L CB 1.272 43.401 42.059 0.117 0.000 1.184 110 L HN 0.716 nan 8.230 nan 0.000 0.429 111 A N 5.789 128.671 122.820 0.102 0.000 3.150 111 A HA 0.540 4.861 4.320 0.000 0.000 0.328 111 A C 0.363 178.026 177.584 0.130 0.000 1.104 111 A CA -0.336 51.763 52.037 0.104 0.000 0.937 111 A CB -0.079 18.961 19.000 0.068 0.000 1.073 111 A HN 0.813 nan 8.150 nan 0.000 0.497 112 L N -0.011 121.332 121.223 0.199 0.000 3.017 112 L HA 0.162 4.502 4.340 0.000 0.000 0.255 112 L C 1.281 178.270 176.870 0.198 0.000 1.247 112 L CA -0.104 54.865 54.840 0.215 0.000 1.038 112 L CB 0.253 42.500 42.059 0.313 0.000 1.380 112 L HN 0.554 nan 8.230 nan 0.000 0.548 113 D N 1.110 121.619 120.400 0.180 0.000 2.158 113 D HA -0.238 4.402 4.640 0.000 0.000 0.197 113 D C 1.481 177.811 176.300 0.049 0.000 0.995 113 D CA 1.541 55.631 54.000 0.150 0.000 0.846 113 D CB 0.347 41.223 40.800 0.128 0.000 0.941 113 D HN 0.228 nan 8.370 nan 0.000 0.456 114 D N -0.603 119.819 120.400 0.037 0.000 2.348 114 D HA -0.029 4.611 4.640 0.000 0.000 0.216 114 D C 0.039 176.313 176.300 -0.043 0.000 0.970 114 D CA 0.142 54.141 54.000 -0.002 0.000 0.889 114 D CB 0.165 40.974 40.800 0.015 0.000 0.912 114 D HN 0.096 nan 8.370 nan 0.000 0.524 115 V N 1.496 121.373 119.914 -0.061 0.000 2.470 115 V HA 0.349 4.469 4.120 0.000 0.000 0.276 115 V C 0.615 176.525 176.094 -0.308 0.000 1.040 115 V CA -0.753 61.464 62.300 -0.139 0.000 1.008 115 V CB 0.849 32.626 31.823 -0.076 0.000 0.990 115 V HN 0.059 nan 8.190 nan 0.000 0.477 116 A N 5.471 128.134 122.820 -0.261 0.000 2.316 116 A HA 0.749 5.069 4.320 0.000 0.000 0.284 116 A C -0.440 176.904 177.584 -0.400 0.000 1.115 116 A CA -0.448 51.405 52.037 -0.307 0.000 0.812 116 A CB 1.019 19.906 19.000 -0.188 0.000 1.064 116 A HN 0.680 nan 8.150 nan 0.000 0.489 117 V N 2.838 122.480 119.914 -0.452 0.000 2.378 117 V HA 0.173 4.293 4.120 0.000 0.000 0.288 117 V C 0.238 176.190 176.094 -0.238 0.000 1.016 117 V CA -0.966 61.077 62.300 -0.428 0.000 0.840 117 V CB 1.109 32.525 31.823 -0.679 0.000 0.994 117 V HN 0.990 nan 8.190 nan 0.000 0.431 118 N N 4.710 123.317 118.700 -0.155 0.000 2.236 118 N HA -0.119 4.621 4.740 0.000 0.000 0.274 118 N C 0.829 176.291 175.510 -0.080 0.000 1.339 118 N CA 1.308 54.300 53.050 -0.096 0.000 0.845 118 N CB -0.232 38.218 38.487 -0.062 0.000 1.091 118 N HN 0.790 nan 8.380 nan 0.000 0.489 119 N N 0.995 119.654 118.700 -0.069 0.000 2.850 119 N HA -0.216 4.524 4.740 0.000 0.000 0.249 119 N C -1.361 174.122 175.510 -0.045 0.000 1.060 119 N CA 0.979 54.002 53.050 -0.045 0.000 0.825 119 N CB -0.731 37.741 38.487 -0.025 0.000 1.132 119 N HN 0.736 nan 8.380 nan 0.000 0.564 120 R N -0.015 120.438 120.500 -0.079 0.000 2.744 120 R HA 0.312 4.652 4.340 0.000 0.000 0.279 120 R C -0.967 175.278 176.300 -0.093 0.000 0.977 120 R CA -0.882 55.175 56.100 -0.071 0.000 0.906 120 R CB 1.139 31.380 30.300 -0.099 0.000 1.197 120 R HN 0.151 nan 8.270 nan 0.000 0.463 121 D N 0.923 121.302 120.400 -0.036 0.000 2.506 121 D HA -0.003 4.638 4.640 0.000 0.000 0.234 121 D C 0.785 177.016 176.300 -0.116 0.000 1.143 121 D CA 0.518 54.498 54.000 -0.033 0.000 0.871 121 D CB 1.137 41.987 40.800 0.084 0.000 1.190 121 D HN 0.605 nan 8.370 nan 0.000 0.459 122 A N 3.604 126.278 122.820 -0.243 0.000 2.167 122 A HA -0.086 4.234 4.320 0.000 0.000 0.214 122 A C 1.225 178.636 177.584 -0.288 0.000 1.151 122 A CA 0.939 52.757 52.037 -0.366 0.000 0.735 122 A CB -0.264 18.447 19.000 -0.481 0.000 0.802 122 A HN 0.685 nan 8.150 nan 0.000 0.467 123 H N -3.551 115.615 119.070 0.160 0.000 2.338 123 H HA 0.104 4.661 4.556 0.000 0.000 0.291 123 H C 1.782 177.291 175.328 0.302 0.000 0.989 123 H CA 1.300 57.495 56.048 0.245 0.000 1.281 123 H CB -0.641 29.210 29.762 0.149 0.000 1.484 123 H HN 0.510 nan 8.280 nan 0.000 0.576 124 Y N 1.690 122.124 120.300 0.223 0.000 2.177 124 Y HA 0.093 4.643 4.550 0.000 0.000 0.291 124 Y C 2.644 178.631 175.900 0.144 0.000 1.117 124 Y CA 1.654 59.852 58.100 0.164 0.000 1.114 124 Y CB -0.545 37.982 38.460 0.112 0.000 1.017 124 Y HN 0.164 nan 8.280 nan 0.000 0.505 125 G N 0.495 109.377 108.800 0.138 0.000 2.402 125 G HA2 -0.280 3.680 3.960 0.000 0.000 0.216 125 G HA3 -0.280 3.680 3.960 0.000 0.000 0.216 125 G C 1.707 176.578 174.900 -0.048 0.000 1.162 125 G CA 0.956 46.063 45.100 0.012 0.000 0.777 125 G HN 0.390 nan 8.290 nan 0.000 0.539 126 K N -0.506 119.835 120.400 -0.098 0.000 2.009 126 K HA -0.159 4.162 4.320 0.000 0.000 0.210 126 K C 2.177 178.733 176.600 -0.073 0.000 1.049 126 K CA 1.428 57.556 56.287 -0.265 0.000 0.929 126 K CB -0.372 31.811 32.500 -0.529 0.000 0.714 126 K HN 0.389 nan 8.250 nan 0.000 0.440 127 Y N 0.675 121.034 120.300 0.099 0.000 2.457 127 Y HA 0.035 4.585 4.550 0.000 0.000 0.292 127 Y C 2.403 178.312 175.900 0.014 0.000 1.125 127 Y CA 0.482 58.653 58.100 0.117 0.000 1.254 127 Y CB 0.041 38.552 38.460 0.085 0.000 1.012 127 Y HN 0.030 nan 8.280 nan 0.000 0.555 128 R N -0.205 120.285 120.500 -0.016 0.000 2.103 128 R HA -0.183 4.157 4.340 0.000 0.000 0.242 128 R C 1.858 178.164 176.300 0.012 0.000 1.142 128 R CA 1.291 57.330 56.100 -0.101 0.000 0.960 128 R CB -0.792 29.350 30.300 -0.264 0.000 0.858 128 R HN 0.336 nan 8.270 nan 0.000 0.439 129 L N 0.187 121.457 121.223 0.077 0.000 2.095 129 L HA -0.042 4.298 4.340 0.000 0.000 0.204 129 L C 2.441 179.319 176.870 0.013 0.000 1.080 129 L CA 0.946 55.838 54.840 0.086 0.000 0.759 129 L CB -0.755 41.427 42.059 0.204 0.000 0.914 129 L HN 0.103 nan 8.230 nan 0.000 0.439 130 L N -0.595 120.668 121.223 0.068 0.000 1.989 130 L HA -0.226 4.115 4.340 0.000 0.000 0.211 130 L C 2.532 179.391 176.870 -0.019 0.000 1.071 130 L CA 1.806 56.587 54.840 -0.098 0.000 0.749 130 L CB -0.378 41.705 42.059 0.040 0.000 0.890 130 L HN 0.228 nan 8.230 nan 0.000 0.431 131 A N -0.836 122.030 122.820 0.077 0.000 1.930 131 A HA -0.266 4.054 4.320 0.000 0.000 0.217 131 A C 2.243 179.843 177.584 0.026 0.000 1.175 131 A CA 1.791 53.866 52.037 0.063 0.000 0.627 131 A CB -0.685 18.364 19.000 0.082 0.000 0.815 131 A HN 0.647 nan 8.150 nan 0.000 0.443 132 E N -0.829 119.381 120.200 0.016 0.000 2.047 132 E HA -0.156 4.194 4.350 0.000 0.000 0.191 132 E C 1.968 178.562 176.600 -0.010 0.000 0.987 132 E CA 1.595 58.000 56.400 0.008 0.000 0.799 132 E CB -0.184 29.520 29.700 0.008 0.000 0.752 132 E HN 0.492 nan 8.360 nan 0.000 0.449 133 T N 1.243 115.773 114.554 -0.040 0.000 2.759 133 T HA -0.169 4.181 4.350 0.000 0.000 0.269 133 T C 1.730 176.401 174.700 -0.048 0.000 1.042 133 T CA 1.262 63.324 62.100 -0.064 0.000 1.140 133 T CB -0.191 68.596 68.868 -0.135 0.000 0.864 133 T HN 0.139 nan 8.240 nan 0.000 0.455 134 L N 0.258 121.455 121.223 -0.044 0.000 2.095 134 L HA 0.218 4.558 4.340 0.000 0.000 0.204 134 L C 2.063 178.937 176.870 0.006 0.000 1.080 134 L CA 1.436 56.260 54.840 -0.027 0.000 0.759 134 L CB -0.419 41.624 42.059 -0.027 0.000 0.914 134 L HN 0.203 nan 8.230 nan 0.000 0.439 135 L N -0.466 120.768 121.223 0.018 0.000 2.056 135 L HA -0.166 4.175 4.340 0.000 0.000 0.207 135 L C 2.163 179.069 176.870 0.060 0.000 1.078 135 L CA 1.584 56.448 54.840 0.039 0.000 0.749 135 L CB -0.564 41.520 42.059 0.042 0.000 0.901 135 L HN 0.337 nan 8.230 nan 0.000 0.433 136 D N -0.191 120.239 120.400 0.049 0.000 2.224 136 D HA -0.118 4.522 4.640 0.000 0.000 0.205 136 D C 2.152 178.506 176.300 0.089 0.000 0.965 136 D CA 1.068 55.107 54.000 0.064 0.000 0.852 136 D CB 0.044 40.855 40.800 0.018 0.000 0.947 136 D HN 0.197 nan 8.370 nan 0.000 0.494 137 G N -0.061 108.772 108.800 0.055 0.000 2.470 137 G HA2 -0.205 3.755 3.960 0.000 0.000 0.220 137 G HA3 -0.205 3.755 3.960 0.000 0.000 0.220 137 G C 1.418 176.367 174.900 0.082 0.000 1.121 137 G CA 0.280 45.414 45.100 0.056 0.000 0.766 137 G HN 0.199 nan 8.290 nan 0.000 0.553 138 E N -0.443 119.809 120.200 0.086 0.000 2.418 138 E HA -0.034 4.317 4.350 0.000 0.000 0.197 138 E C 0.215 176.876 176.600 0.101 0.000 1.026 138 E CA -0.369 56.075 56.400 0.074 0.000 0.862 138 E CB -0.213 29.522 29.700 0.058 0.000 0.799 138 E HN 0.582 nan 8.360 nan 0.000 0.518 139 Y N 1.334 121.659 120.300 0.042 0.000 2.721 139 Y HA 0.004 4.554 4.550 0.000 0.000 0.329 139 Y C -0.251 175.697 175.900 0.080 0.000 1.211 139 Y CA -0.002 58.138 58.100 0.067 0.000 1.512 139 Y CB 0.378 38.880 38.460 0.071 0.000 1.249 139 Y HN -0.340 nan 8.280 nan 0.000 0.549 140 V N 7.872 127.437 119.914 -0.582 0.000 2.709 140 V HA 0.302 4.422 4.120 0.000 0.000 0.308 140 V C -1.119 174.634 176.094 -0.570 0.000 1.062 140 V CA -1.225 60.830 62.300 -0.409 0.000 0.901 140 V CB 1.786 33.500 31.823 -0.181 0.000 1.003 140 V HN 0.677 nan 8.190 nan 0.000 0.425 141 F N 4.900 124.622 119.950 -0.381 0.000 2.359 141 F HA 0.531 5.058 4.527 0.000 0.000 0.370 141 F C 0.326 176.105 175.800 -0.035 0.000 1.077 141 F CA -0.463 57.439 58.000 -0.164 0.000 1.136 141 F CB 0.922 39.982 39.000 0.100 0.000 1.387 141 F HN 0.716 nan 8.300 nan 0.000 0.468 142 D N 3.571 123.745 120.400 -0.376 0.000 2.563 142 D HA 0.026 4.666 4.640 0.000 0.000 0.237 142 D C 1.538 177.629 176.300 -0.349 0.000 1.282 142 D CA -0.240 53.611 54.000 -0.248 0.000 0.816 142 D CB -0.263 40.452 40.800 -0.142 0.000 1.066 142 D HN 0.620 nan 8.370 nan 0.000 0.501 143 R N 0.168 120.288 120.500 -0.633 0.000 2.189 143 R HA -0.005 4.336 4.340 0.000 0.000 0.223 143 R C 0.454 176.347 176.300 -0.679 0.000 1.092 143 R CA 0.832 56.530 56.100 -0.669 0.000 0.989 143 R CB -0.737 29.051 30.300 -0.853 0.000 0.876 143 R HN 0.054 nan 8.270 nan 0.000 0.457 144 F N 1.126 120.917 119.950 -0.264 0.000 2.693 144 F HA 0.323 4.851 4.527 0.000 0.000 0.303 144 F C 0.285 176.030 175.800 -0.091 0.000 1.097 144 F CA -0.291 57.629 58.000 -0.133 0.000 1.330 144 F CB 0.373 39.327 39.000 -0.077 0.000 1.067 144 F HN -0.270 nan 8.300 nan 0.000 0.565 145 K N 0.466 120.867 120.400 0.001 0.000 2.227 145 K HA 0.255 4.575 4.320 0.000 0.000 0.280 145 K C 0.958 177.540 176.600 -0.030 0.000 1.041 145 K CA 0.000 56.286 56.287 -0.002 0.000 0.905 145 K CB 1.642 34.130 32.500 -0.020 0.000 1.068 145 K HN -0.005 nan 8.250 nan 0.000 0.470 146 S N 1.876 117.569 115.700 -0.011 0.000 2.368 146 S HA -0.132 4.338 4.470 0.000 0.000 0.224 146 S C 0.783 175.367 174.600 -0.027 0.000 1.029 146 S CA 1.001 59.189 58.200 -0.020 0.000 0.988 146 S CB 0.096 63.291 63.200 -0.009 0.000 0.838 146 S HN 0.536 nan 8.310 nan 0.000 0.462 147 Q N 1.497 121.284 119.800 -0.020 0.000 2.368 147 Q HA 0.286 4.626 4.340 0.000 0.000 0.256 147 Q C -1.113 174.871 176.000 -0.027 0.000 0.980 147 Q CA -0.203 55.587 55.803 -0.022 0.000 0.887 147 Q CB 0.577 29.307 28.738 -0.013 0.000 1.221 147 Q HN 0.242 nan 8.270 nan 0.000 0.458 148 K N 1.221 121.598 120.400 -0.037 0.000 2.095 148 K HA 0.346 4.666 4.320 0.000 0.000 0.252 148 K C -0.443 176.137 176.600 -0.034 0.000 0.977 148 K CA -0.794 55.466 56.287 -0.044 0.000 0.900 148 K CB 1.501 33.963 32.500 -0.063 0.000 1.060 148 K HN 0.462 nan 8.250 nan 0.000 0.449 149 V N 0.004 119.898 119.914 -0.033 0.000 2.446 149 V HA 0.047 4.167 4.120 0.000 0.000 0.276 149 V C 0.351 176.426 176.094 -0.032 0.000 1.030 149 V CA -0.586 61.698 62.300 -0.027 0.000 1.033 149 V CB 0.089 31.899 31.823 -0.022 0.000 0.993 149 V HN 0.809 nan 8.190 nan 0.000 0.477 150 E N 6.491 126.675 120.200 -0.026 0.000 2.414 150 E HA 0.179 4.529 4.350 0.000 0.000 0.263 150 E C -2.033 174.552 176.600 -0.025 0.000 1.000 150 E CA -1.283 55.101 56.400 -0.027 0.000 0.914 150 E CB 0.076 29.763 29.700 -0.021 0.000 0.948 150 E HN 0.701 nan 8.360 nan 0.000 0.444 151 P HA -0.106 nan 4.420 nan 0.000 0.264 151 P C -0.362 176.927 177.300 -0.019 0.000 1.173 151 P CA 0.545 63.630 63.100 -0.026 0.000 0.761 151 P CB 0.380 32.066 31.700 -0.025 0.000 0.794 152 R N 1.329 121.820 120.500 -0.016 0.000 2.738 152 R HA 0.241 4.582 4.340 0.000 0.000 0.268 152 R C 1.625 177.920 176.300 -0.009 0.000 1.062 152 R CA 0.055 56.149 56.100 -0.011 0.000 1.158 152 R CB 0.141 30.436 30.300 -0.008 0.000 1.046 152 R HN 0.537 nan 8.270 nan 0.000 0.493 153 A N 2.638 125.454 122.820 -0.007 0.000 1.929 153 A HA -0.054 4.266 4.320 0.000 0.000 0.216 153 A C 0.813 178.394 177.584 -0.004 0.000 1.176 153 A CA 0.444 52.478 52.037 -0.006 0.000 0.628 153 A CB -0.153 18.844 19.000 -0.005 0.000 0.816 153 A HN 0.483 nan 8.150 nan 0.000 0.444 154 L N 0.247 121.469 121.223 -0.003 0.000 2.433 154 L HA 0.223 4.563 4.340 0.000 0.000 0.275 154 L C 0.666 177.536 176.870 -0.000 0.000 1.128 154 L CA 0.687 55.527 54.840 -0.001 0.000 0.875 154 L CB 0.480 42.539 42.059 -0.000 0.000 1.171 154 L HN 0.236 nan 8.230 nan 0.000 0.463 155 K N 3.175 123.575 120.400 0.000 0.000 2.511 155 K HA 0.225 4.545 4.320 0.000 0.000 0.209 155 K C -0.233 176.369 176.600 0.003 0.000 1.301 155 K CA -0.124 56.164 56.287 0.001 0.000 0.967 155 K CB 0.712 33.211 32.500 -0.001 0.000 1.109 155 K HN 0.449 nan 8.250 nan 0.000 0.561 156 K N 1.415 121.817 120.400 0.003 0.000 2.427 156 K HA 0.413 4.734 4.320 0.000 0.000 0.252 156 K C -1.602 175.001 176.600 0.005 0.000 0.931 156 K CA -0.606 55.683 56.287 0.004 0.000 0.793 156 K CB 2.140 34.641 32.500 0.002 0.000 1.211 156 K HN -0.224 nan 8.250 nan 0.000 0.426 157 V N 2.408 122.326 119.914 0.007 0.000 2.656 157 V HA 0.427 4.547 4.120 0.000 0.000 0.307 157 V C -0.613 175.485 176.094 0.007 0.000 1.051 157 V CA -0.745 61.560 62.300 0.009 0.000 0.893 157 V CB 2.135 33.966 31.823 0.014 0.000 0.999 157 V HN 0.866 nan 8.190 nan 0.000 0.426 158 T N 5.654 120.212 114.554 0.007 0.000 2.823 158 T HA 0.677 5.027 4.350 0.000 0.000 0.279 158 T C -0.490 174.212 174.700 0.003 0.000 0.998 158 T CA -0.360 61.739 62.100 -0.001 0.000 0.994 158 T CB 1.053 69.920 68.868 -0.002 0.000 0.960 158 T HN 0.375 nan 8.240 nan 0.000 0.448 159 L N 3.635 124.843 121.223 -0.025 0.000 2.296 159 L HA 0.537 4.877 4.340 0.000 0.000 0.286 159 L C -0.481 176.347 176.870 -0.070 0.000 1.023 159 L CA -0.862 53.951 54.840 -0.045 0.000 0.812 159 L CB 1.069 43.035 42.059 -0.154 0.000 1.223 159 L HN 0.370 nan 8.230 nan 0.000 0.421 160 L N 3.581 124.793 121.223 -0.018 0.000 2.264 160 L HA 0.734 5.074 4.340 0.000 0.000 0.289 160 L C 0.228 177.094 176.870 -0.006 0.000 1.044 160 L CA -0.157 54.676 54.840 -0.011 0.000 0.807 160 L CB 1.473 43.545 42.059 0.023 0.000 1.192 160 L HN 0.752 nan 8.230 nan 0.000 0.425 161 A N 2.354 125.156 122.820 -0.031 0.000 2.387 161 A HA 0.693 5.013 4.320 0.000 0.000 0.298 161 A C -1.235 176.359 177.584 0.017 0.000 1.165 161 A CA -0.778 51.269 52.037 0.016 0.000 0.814 161 A CB 1.174 20.163 19.000 -0.019 0.000 1.357 161 A HN 0.687 nan 8.150 nan 0.000 0.443 162 D N 0.083 120.510 120.400 0.045 0.000 2.339 162 D HA 0.200 4.840 4.640 0.000 0.000 0.245 162 D C 0.485 176.763 176.300 -0.037 0.000 1.115 162 D CA -0.393 53.616 54.000 0.016 0.000 0.917 162 D CB 0.747 41.573 40.800 0.044 0.000 1.192 162 D HN 0.522 nan 8.370 nan 0.000 0.428 163 K N 0.633 121.012 120.400 -0.036 0.000 2.113 163 K HA -0.168 4.152 4.320 0.000 0.000 0.208 163 K C 1.878 178.427 176.600 -0.084 0.000 1.047 163 K CA 1.585 57.840 56.287 -0.054 0.000 0.928 163 K CB -0.244 32.235 32.500 -0.035 0.000 0.716 163 K HN 0.549 nan 8.250 nan 0.000 0.446 164 A N 0.855 123.625 122.820 -0.084 0.000 2.067 164 A HA -0.061 4.259 4.320 0.000 0.000 0.219 164 A C 2.225 179.660 177.584 -0.247 0.000 1.158 164 A CA 1.719 53.691 52.037 -0.108 0.000 0.661 164 A CB -0.581 18.387 19.000 -0.054 0.000 0.801 164 A HN 0.435 nan 8.150 nan 0.000 0.452 165 G N -1.448 107.118 108.800 -0.391 0.000 2.744 165 G HA2 0.005 3.965 3.960 0.000 0.000 0.211 165 G HA3 0.005 3.965 3.960 0.000 0.000 0.211 165 G C 1.390 176.060 174.900 -0.383 0.000 1.146 165 G CA 0.707 45.299 45.100 -0.846 0.000 0.787 165 G HN 0.580 nan 8.290 nan 0.000 0.534 166 Q N 0.517 120.192 119.800 -0.208 0.000 2.045 166 Q HA -0.133 4.208 4.340 0.000 0.000 0.206 166 Q C 2.767 178.709 176.000 -0.096 0.000 0.991 166 Q CA 1.966 57.692 55.803 -0.127 0.000 0.851 166 Q CB -0.333 28.350 28.738 -0.091 0.000 0.911 166 Q HN 0.364 nan 8.270 nan 0.000 0.418 167 A N 0.564 123.333 122.820 -0.084 0.000 1.986 167 A HA -0.230 4.090 4.320 0.000 0.000 0.220 167 A C 1.840 179.406 177.584 -0.031 0.000 1.171 167 A CA 1.829 53.834 52.037 -0.054 0.000 0.640 167 A CB -0.488 18.483 19.000 -0.049 0.000 0.811 167 A HN 0.445 nan 8.150 nan 0.000 0.451 168 E N -0.503 119.683 120.200 -0.023 0.000 2.170 168 E HA -0.016 4.334 4.350 0.000 0.000 0.191 168 E C 2.179 178.866 176.600 0.146 0.000 0.981 168 E CA 1.014 57.460 56.400 0.076 0.000 0.830 168 E CB -0.447 29.320 29.700 0.111 0.000 0.775 168 E HN 0.427 nan 8.360 nan 0.000 0.470 169 V N 1.826 121.772 119.914 0.053 0.000 2.358 169 V HA -0.217 3.904 4.120 0.000 0.000 0.246 169 V C 2.083 178.158 176.094 -0.031 0.000 1.047 169 V CA 1.705 64.001 62.300 -0.008 0.000 1.035 169 V CB -0.514 31.186 31.823 -0.204 0.000 0.658 169 V HN 0.231 nan 8.190 nan 0.000 0.452 170 E N 0.148 120.324 120.200 -0.040 0.000 2.110 170 E HA -0.245 4.105 4.350 0.000 0.000 0.193 170 E C 2.402 178.979 176.600 -0.039 0.000 0.988 170 E CA 1.169 57.546 56.400 -0.039 0.000 0.804 170 E CB -0.219 29.457 29.700 -0.040 0.000 0.745 170 E HN 0.459 nan 8.360 nan 0.000 0.458 171 R N 0.645 121.130 120.500 -0.024 0.000 2.115 171 R HA -0.073 4.267 4.340 0.000 0.000 0.230 171 R C 2.175 178.399 176.300 -0.126 0.000 1.111 171 R CA 1.046 57.081 56.100 -0.108 0.000 0.976 171 R CB -0.065 30.193 30.300 -0.070 0.000 0.870 171 R HN 0.143 nan 8.270 nan 0.000 0.445 172 A N 0.107 122.947 122.820 0.033 0.000 1.897 172 A HA -0.066 4.254 4.320 0.000 0.000 0.215 172 A C 2.173 179.720 177.584 -0.063 0.000 1.181 172 A CA 1.202 53.155 52.037 -0.141 0.000 0.620 172 A CB -0.465 18.451 19.000 -0.140 0.000 0.821 172 A HN 0.197 nan 8.150 nan 0.000 0.443 173 V N 0.704 120.606 119.914 -0.020 0.000 2.407 173 V HA -0.264 3.856 4.120 0.000 0.000 0.248 173 V C 2.579 178.682 176.094 0.014 0.000 1.055 173 V CA 2.397 64.700 62.300 0.004 0.000 1.049 173 V CB -0.586 31.234 31.823 -0.006 0.000 0.662 173 V HN 0.752 nan 8.190 nan 0.000 0.455 174 K N -0.588 119.805 120.400 -0.011 0.000 2.116 174 K HA -0.149 4.171 4.320 0.000 0.000 0.203 174 K C 2.037 178.721 176.600 0.141 0.000 1.052 174 K CA 1.467 57.773 56.287 0.033 0.000 0.952 174 K CB -0.259 32.239 32.500 -0.003 0.000 0.729 174 K HN 0.632 nan 8.250 nan 0.000 0.446 175 H N -0.388 118.728 119.070 0.078 0.000 2.357 175 H HA 0.004 4.560 4.556 0.000 0.000 0.301 175 H C 2.080 177.430 175.328 0.036 0.000 1.082 175 H CA 0.728 56.820 56.048 0.073 0.000 1.342 175 H CB 0.133 29.976 29.762 0.135 0.000 1.389 175 H HN 0.381 nan 8.280 nan 0.000 0.511 176 A N 0.524 123.423 122.820 0.131 0.000 2.015 176 A HA -0.145 4.175 4.320 0.000 0.000 0.219 176 A C 2.377 180.000 177.584 0.065 0.000 1.163 176 A CA 1.518 53.597 52.037 0.071 0.000 0.646 176 A CB -0.341 18.682 19.000 0.039 0.000 0.806 176 A HN 0.264 nan 8.150 nan 0.000 0.448 177 S N -0.131 115.611 115.700 0.070 0.000 2.371 177 S HA 0.051 4.521 4.470 0.000 0.000 0.224 177 S C 2.332 176.970 174.600 0.063 0.000 1.029 177 S CA 0.984 59.220 58.200 0.059 0.000 0.978 177 S CB -0.397 62.834 63.200 0.053 0.000 0.833 177 S HN 0.775 nan 8.310 nan 0.000 0.466 178 A N 1.661 124.526 122.820 0.074 0.000 1.902 178 A HA -0.026 4.294 4.320 0.000 0.000 0.217 178 A C 2.065 179.682 177.584 0.055 0.000 1.181 178 A CA 1.125 53.199 52.037 0.061 0.000 0.623 178 A CB -0.748 18.290 19.000 0.063 0.000 0.818 178 A HN 0.457 nan 8.150 nan 0.000 0.443 179 I N -0.224 120.381 120.570 0.058 0.000 2.127 179 I HA -0.314 3.856 4.170 0.000 0.000 0.241 179 I C 3.011 179.158 176.117 0.050 0.000 1.075 179 I CA 1.232 62.560 61.300 0.047 0.000 1.334 179 I CB -0.432 37.594 38.000 0.043 0.000 1.040 179 I HN 0.367 nan 8.210 nan 0.000 0.405 180 A N 0.120 122.972 122.820 0.052 0.000 1.940 180 A HA -0.211 4.109 4.320 0.000 0.000 0.219 180 A C 2.367 179.998 177.584 0.078 0.000 1.176 180 A CA 2.478 54.549 52.037 0.056 0.000 0.631 180 A CB -1.065 17.969 19.000 0.056 0.000 0.814 180 A HN 0.403 nan 8.150 nan 0.000 0.446 181 T N -0.435 114.166 114.554 0.078 0.000 2.777 181 T HA -0.010 4.340 4.350 0.000 0.000 0.266 181 T C 1.957 176.728 174.700 0.119 0.000 1.040 181 T CA 1.377 63.531 62.100 0.089 0.000 1.141 181 T CB -0.531 68.374 68.868 0.061 0.000 0.868 181 T HN 0.590 nan 8.240 nan 0.000 0.444 182 G N 1.116 109.982 108.800 0.109 0.000 2.418 182 G HA2 -0.180 3.780 3.960 0.000 0.000 0.217 182 G HA3 -0.180 3.780 3.960 0.000 0.000 0.217 182 G C 1.562 176.552 174.900 0.151 0.000 1.158 182 G CA 0.598 45.791 45.100 0.155 0.000 0.771 182 G HN 0.403 nan 8.290 nan 0.000 0.545 183 M N 0.804 120.454 119.600 0.083 0.000 2.159 183 M HA -0.015 4.466 4.480 0.000 0.000 0.263 183 M C 3.013 179.325 176.300 0.019 0.000 1.063 183 M CA 1.361 56.676 55.300 0.025 0.000 1.110 183 M CB -0.187 32.407 32.600 -0.012 0.000 1.374 183 M HN 0.322 nan 8.290 nan 0.000 0.411 184 A N 0.072 122.958 122.820 0.110 0.000 1.902 184 A HA -0.187 4.133 4.320 0.000 0.000 0.217 184 A C 1.972 179.738 177.584 0.302 0.000 1.181 184 A CA 1.320 53.489 52.037 0.220 0.000 0.623 184 A CB -0.923 18.264 19.000 0.311 0.000 0.818 184 A HN 0.494 nan 8.150 nan 0.000 0.443 185 F N 1.573 121.576 119.950 0.088 0.000 2.102 185 F HA -0.125 4.402 4.527 0.000 0.000 0.298 185 F C 2.462 178.286 175.800 0.041 0.000 1.105 185 F CA 2.079 60.114 58.000 0.059 0.000 1.239 185 F CB -1.070 37.947 39.000 0.028 0.000 0.991 185 F HN 0.218 nan 8.300 nan 0.000 0.474 186 T N 0.950 115.512 114.554 0.012 0.000 2.708 186 T HA -0.188 4.162 4.350 0.000 0.000 0.266 186 T C 2.101 176.747 174.700 -0.090 0.000 1.037 186 T CA 1.831 63.868 62.100 -0.105 0.000 1.146 186 T CB -0.217 68.624 68.868 -0.045 0.000 0.865 186 T HN 0.246 nan 8.240 nan 0.000 0.435 187 R N 0.909 121.343 120.500 -0.110 0.000 2.081 187 R HA -0.069 4.271 4.340 0.000 0.000 0.235 187 R C 2.259 178.516 176.300 -0.071 0.000 1.131 187 R CA 1.438 57.416 56.100 -0.204 0.000 0.960 187 R CB -0.314 29.608 30.300 -0.631 0.000 0.856 187 R HN 0.312 nan 8.270 nan 0.000 0.436 188 D N 0.832 121.308 120.400 0.126 0.000 2.104 188 D HA -0.137 4.503 4.640 0.000 0.000 0.194 188 D C 1.962 178.298 176.300 0.060 0.000 0.994 188 D CA 1.118 55.244 54.000 0.210 0.000 0.830 188 D CB -0.169 40.873 40.800 0.403 0.000 0.959 188 D HN 0.136 nan 8.370 nan 0.000 0.452 189 L N 0.246 121.470 121.223 0.002 0.000 2.017 189 L HA -0.076 4.264 4.340 0.000 0.000 0.208 189 L C 2.603 179.460 176.870 -0.022 0.000 1.073 189 L CA 1.459 56.287 54.840 -0.020 0.000 0.745 189 L CB -0.854 41.103 42.059 -0.169 0.000 0.894 189 L HN 0.099 nan 8.230 nan 0.000 0.432 190 G N -0.052 108.736 108.800 -0.019 0.000 2.440 190 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 190 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 190 G C 1.396 176.301 174.900 0.010 0.000 1.154 190 G CA 0.865 46.006 45.100 0.068 0.000 0.767 190 G HN 0.324 nan 8.290 nan 0.000 0.552 191 N N 0.125 118.742 118.700 -0.138 0.000 2.354 191 N HA 0.059 4.799 4.740 0.000 0.000 0.179 191 N C 1.032 176.310 175.510 -0.386 0.000 1.021 191 N CA -0.078 52.752 53.050 -0.367 0.000 0.887 191 N CB -0.143 37.814 38.487 -0.883 0.000 0.974 191 N HN 0.255 nan 8.380 nan 0.000 0.437 192 L N 3.049 124.147 121.223 -0.209 0.000 2.559 192 L HA 0.004 4.344 4.340 0.000 0.000 0.282 192 L C -1.850 174.940 176.870 -0.133 0.000 1.232 192 L CA -0.922 53.941 54.840 0.038 0.000 0.885 192 L CB 0.108 42.181 42.059 0.023 0.000 1.131 192 L HN 0.015 nan 8.230 nan 0.000 0.498 193 P HA 0.156 nan 4.420 nan 0.000 0.277 193 P C -2.279 174.886 177.300 -0.224 0.000 1.240 193 P CA -1.743 61.198 63.100 -0.264 0.000 0.798 193 P CB 0.484 31.961 31.700 -0.372 0.000 0.979 194 P HA -0.160 nan 4.420 nan 0.000 0.220 194 P C 1.059 178.296 177.300 -0.104 0.000 1.148 194 P CA 1.374 64.392 63.100 -0.135 0.000 0.803 194 P CB -0.305 31.302 31.700 -0.155 0.000 0.782 195 N N 0.440 119.051 118.700 -0.147 0.000 2.289 195 N HA -0.124 4.617 4.740 0.000 0.000 0.184 195 N C 1.647 177.161 175.510 0.007 0.000 1.016 195 N CA 1.191 54.203 53.050 -0.065 0.000 0.872 195 N CB -1.182 37.243 38.487 -0.104 0.000 0.973 195 N HN 0.278 nan 8.380 nan 0.000 0.433 196 L N -0.499 120.644 121.223 -0.133 0.000 2.362 196 L HA 0.202 4.542 4.340 0.000 0.000 0.204 196 L C 0.823 177.276 176.870 -0.695 0.000 1.060 196 L CA 0.020 54.683 54.840 -0.295 0.000 0.827 196 L CB 0.160 42.068 42.059 -0.251 0.000 1.027 196 L HN 0.139 nan 8.230 nan 0.000 0.474 197 C N 2.099 121.097 119.300 -0.504 0.000 2.138 197 C HA 0.363 4.823 4.460 0.000 0.000 0.398 197 C C 0.470 175.381 174.990 -0.132 0.000 1.029 197 C CA -0.711 58.041 59.018 -0.442 0.000 1.426 197 C CB -2.207 25.394 27.740 -0.231 0.000 1.652 197 C HN 0.416 nan 8.230 nan 0.000 0.486 198 H N 2.872 122.011 119.070 0.114 0.000 2.713 198 H HA 0.597 5.153 4.556 0.000 0.000 0.340 198 H C -2.379 173.066 175.328 0.195 0.000 1.271 198 H CA -2.532 53.593 56.048 0.128 0.000 1.306 198 H CB -0.473 29.338 29.762 0.082 0.000 1.839 198 H HN -0.042 nan 8.280 nan 0.000 0.627 199 P HA -0.101 nan 4.420 nan 0.000 0.217 199 P C 1.116 178.589 177.300 0.288 0.000 1.150 199 P CA 1.824 65.083 63.100 0.264 0.000 0.832 199 P CB 0.134 31.950 31.700 0.193 0.000 0.787 200 S N -1.464 114.476 115.700 0.399 0.000 2.406 200 S HA -0.110 4.360 4.470 0.000 0.000 0.228 200 S C 1.561 176.357 174.600 0.327 0.000 1.020 200 S CA 0.680 59.075 58.200 0.326 0.000 0.965 200 S CB -1.040 62.326 63.200 0.276 0.000 0.798 200 S HN 0.136 nan 8.310 nan 0.000 0.488 201 F N 2.590 122.657 119.950 0.195 0.000 2.075 201 F HA -0.046 4.481 4.527 0.000 0.000 0.297 201 F C 1.772 177.608 175.800 0.059 0.000 1.113 201 F CA 1.284 59.273 58.000 -0.018 0.000 1.218 201 F CB -0.473 38.303 39.000 -0.372 0.000 0.984 201 F HN 0.067 nan 8.300 nan 0.000 0.472 202 L N 0.158 121.448 121.223 0.112 0.000 2.079 202 L HA -0.251 4.089 4.340 0.000 0.000 0.210 202 L C 2.816 179.770 176.870 0.139 0.000 1.081 202 L CA 1.160 56.064 54.840 0.108 0.000 0.752 202 L CB -1.300 40.933 42.059 0.290 0.000 0.896 202 L HN 0.328 nan 8.230 nan 0.000 0.433 203 A N -0.179 122.715 122.820 0.123 0.000 1.865 203 A HA -0.214 4.106 4.320 0.000 0.000 0.217 203 A C 2.188 179.811 177.584 0.065 0.000 1.191 203 A CA 1.608 53.710 52.037 0.109 0.000 0.623 203 A CB -0.445 18.616 19.000 0.102 0.000 0.826 203 A HN 0.339 nan 8.150 nan 0.000 0.444 204 E N 0.055 120.256 120.200 0.001 0.000 2.097 204 E HA -0.219 4.131 4.350 0.000 0.000 0.196 204 E C 2.176 178.724 176.600 -0.086 0.000 1.000 204 E CA 1.359 57.733 56.400 -0.043 0.000 0.804 204 E CB -0.444 29.217 29.700 -0.064 0.000 0.740 204 E HN 0.637 nan 8.360 nan 0.000 0.454 205 Q N -0.184 119.491 119.800 -0.209 0.000 2.124 205 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 205 Q C 2.093 178.161 176.000 0.114 0.000 0.977 205 Q CA 1.320 57.015 55.803 -0.179 0.000 0.850 205 Q CB -0.301 28.177 28.738 -0.432 0.000 0.901 205 Q HN 0.273 nan 8.270 nan 0.000 0.429 206 A N 1.302 124.314 122.820 0.320 0.000 1.897 206 A HA -0.154 4.166 4.320 0.000 0.000 0.215 206 A C 2.071 179.782 177.584 0.212 0.000 1.181 206 A CA 1.268 53.549 52.037 0.407 0.000 0.620 206 A CB -0.240 18.932 19.000 0.287 0.000 0.821 206 A HN 0.233 nan 8.150 nan 0.000 0.443 207 K N -0.185 120.293 120.400 0.130 0.000 2.097 207 K HA -0.148 4.173 4.320 0.000 0.000 0.206 207 K C 1.940 178.587 176.600 0.078 0.000 1.049 207 K CA 1.569 57.910 56.287 0.091 0.000 0.933 207 K CB -0.151 32.386 32.500 0.063 0.000 0.717 207 K HN 0.612 nan 8.250 nan 0.000 0.442 208 E N 0.746 120.982 120.200 0.060 0.000 2.047 208 E HA -0.184 4.166 4.350 0.000 0.000 0.191 208 E C 1.996 178.633 176.600 0.062 0.000 0.987 208 E CA 0.740 57.160 56.400 0.034 0.000 0.799 208 E CB -0.059 29.637 29.700 -0.007 0.000 0.752 208 E HN 0.075 nan 8.360 nan 0.000 0.449 209 L N 0.630 121.925 121.223 0.120 0.000 2.042 209 L HA -0.109 4.231 4.340 0.000 0.000 0.210 209 L C 2.199 179.223 176.870 0.256 0.000 1.076 209 L CA 2.058 57.025 54.840 0.212 0.000 0.749 209 L CB -0.712 41.517 42.059 0.284 0.000 0.893 209 L HN 0.138 nan 8.230 nan 0.000 0.432 210 G N -1.629 107.282 108.800 0.186 0.000 2.471 210 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 210 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 210 G C 1.724 176.694 174.900 0.116 0.000 1.125 210 G CA 0.638 45.834 45.100 0.160 0.000 0.775 210 G HN 0.339 nan 8.290 nan 0.000 0.548 211 K N 0.307 120.753 120.400 0.076 0.000 2.103 211 K HA 0.203 4.523 4.320 0.000 0.000 0.204 211 K C 2.683 179.273 176.600 -0.017 0.000 1.052 211 K CA 0.884 57.190 56.287 0.031 0.000 0.945 211 K CB -0.082 32.428 32.500 0.017 0.000 0.722 211 K HN 0.213 nan 8.250 nan 0.000 0.443 212 A N 0.510 123.289 122.820 -0.068 0.000 2.206 212 A HA -0.041 4.279 4.320 0.000 0.000 0.211 212 A C -0.103 177.173 177.584 -0.513 0.000 1.158 212 A CA 0.688 52.552 52.037 -0.289 0.000 0.761 212 A CB -0.163 18.610 19.000 -0.379 0.000 0.801 212 A HN 0.209 nan 8.150 nan 0.000 0.473 213 H N -0.757 118.340 119.070 0.045 0.000 2.823 213 H HA 0.239 4.795 4.556 0.000 0.000 0.332 213 H C -0.011 175.361 175.328 0.073 0.000 0.980 213 H CA -0.622 55.465 56.048 0.066 0.000 1.286 213 H CB 1.428 31.244 29.762 0.090 0.000 1.541 213 H HN 0.222 nan 8.280 nan 0.000 0.521 214 K N 1.559 122.049 120.400 0.150 0.000 2.148 214 K HA -0.013 4.308 4.320 0.000 0.000 0.204 214 K C 1.605 178.268 176.600 0.104 0.000 1.050 214 K CA 1.036 57.382 56.287 0.098 0.000 0.942 214 K CB 0.280 32.819 32.500 0.066 0.000 0.724 214 K HN 0.448 nan 8.250 nan 0.000 0.446 215 A N 1.090 123.996 122.820 0.144 0.000 2.235 215 A HA 0.029 4.349 4.320 0.000 0.000 0.208 215 A C 0.617 178.268 177.584 0.112 0.000 1.172 215 A CA 0.152 52.239 52.037 0.083 0.000 0.786 215 A CB -0.054 18.991 19.000 0.075 0.000 0.804 215 A HN 0.149 nan 8.150 nan 0.000 0.479 216 L N 0.150 121.481 121.223 0.180 0.000 2.313 216 L HA 0.497 4.837 4.340 0.000 0.000 0.283 216 L C -0.803 176.142 176.870 0.125 0.000 1.013 216 L CA -0.373 54.574 54.840 0.178 0.000 0.816 216 L CB 1.374 43.563 42.059 0.217 0.000 1.236 216 L HN -0.140 nan 8.230 nan 0.000 0.419 217 K N 3.994 124.453 120.400 0.098 0.000 2.206 217 K HA 0.598 4.919 4.320 0.000 0.000 0.264 217 K C -1.209 175.445 176.600 0.089 0.000 0.967 217 K CA -0.507 55.832 56.287 0.087 0.000 0.844 217 K CB 2.045 34.590 32.500 0.075 0.000 1.099 217 K HN 0.431 nan 8.250 nan 0.000 0.441 218 V N 2.122 122.089 119.914 0.089 0.000 2.667 218 V HA 0.449 4.569 4.120 0.000 0.000 0.308 218 V C -0.160 175.982 176.094 0.080 0.000 1.048 218 V CA -0.754 61.596 62.300 0.084 0.000 0.928 218 V CB 1.895 33.774 31.823 0.093 0.000 1.004 218 V HN 0.760 nan 8.190 nan 0.000 0.444 219 E N 2.156 122.402 120.200 0.078 0.000 2.321 219 E HA 0.641 4.991 4.350 0.000 0.000 0.278 219 E C -2.250 174.386 176.600 0.060 0.000 0.902 219 E CA -0.474 55.973 56.400 0.078 0.000 0.758 219 E CB 2.541 32.305 29.700 0.107 0.000 1.213 219 E HN 0.410 nan 8.360 nan 0.000 0.426 220 V N 5.014 124.957 119.914 0.049 0.000 2.443 220 V HA 0.359 4.480 4.120 0.000 0.000 0.293 220 V C -0.909 175.194 176.094 0.015 0.000 1.021 220 V CA -0.704 61.615 62.300 0.032 0.000 0.848 220 V CB 1.308 33.158 31.823 0.044 0.000 0.998 220 V HN 0.584 nan 8.190 nan 0.000 0.424 221 L N 6.033 127.245 121.223 -0.018 0.000 2.265 221 L HA 0.505 4.845 4.340 0.000 0.000 0.289 221 L C 0.356 177.187 176.870 -0.064 0.000 1.033 221 L CA -0.163 54.649 54.840 -0.046 0.000 0.814 221 L CB 1.186 43.184 42.059 -0.102 0.000 1.203 221 L HN 0.777 nan 8.230 nan 0.000 0.423 222 D N 1.138 121.515 120.400 -0.038 0.000 2.469 222 D HA 0.023 4.663 4.640 0.000 0.000 0.278 222 D C 0.915 177.186 176.300 -0.048 0.000 1.231 222 D CA -0.389 53.593 54.000 -0.029 0.000 1.075 222 D CB 0.447 41.249 40.800 0.002 0.000 1.121 222 D HN 0.561 nan 8.370 nan 0.000 0.571 223 E N -0.490 119.706 120.200 -0.006 0.000 2.077 223 E HA -0.224 4.126 4.350 0.000 0.000 0.193 223 E C 1.690 178.349 176.600 0.098 0.000 0.989 223 E CA 1.151 57.583 56.400 0.053 0.000 0.800 223 E CB 0.070 29.826 29.700 0.092 0.000 0.746 223 E HN 0.372 nan 8.360 nan 0.000 0.452 224 K N 0.092 120.521 120.400 0.048 0.000 2.167 224 K HA -0.105 4.215 4.320 0.000 0.000 0.203 224 K C 2.117 178.698 176.600 -0.030 0.000 1.052 224 K CA 0.996 57.288 56.287 0.008 0.000 0.956 224 K CB 0.019 32.524 32.500 0.007 0.000 0.735 224 K HN -0.119 nan 8.250 nan 0.000 0.451 225 K N 1.754 122.138 120.400 -0.026 0.000 2.057 225 K HA -0.047 4.273 4.320 0.000 0.000 0.206 225 K C 1.647 178.213 176.600 -0.058 0.000 1.050 225 K CA 1.239 57.506 56.287 -0.033 0.000 0.935 225 K CB -0.266 32.221 32.500 -0.023 0.000 0.715 225 K HN 0.041 nan 8.250 nan 0.000 0.439 226 I N 0.710 121.218 120.570 -0.104 0.000 2.127 226 I HA -0.320 3.850 4.170 0.000 0.000 0.241 226 I C 2.494 178.564 176.117 -0.078 0.000 1.075 226 I CA 1.530 62.732 61.300 -0.163 0.000 1.334 226 I CB -0.288 37.494 38.000 -0.364 0.000 1.040 226 I HN 0.224 nan 8.210 nan 0.000 0.405 227 K N 0.658 121.004 120.400 -0.090 0.000 2.032 227 K HA -0.244 4.076 4.320 0.000 0.000 0.209 227 K C 1.682 178.195 176.600 -0.146 0.000 1.048 227 K CA 2.057 58.196 56.287 -0.247 0.000 0.927 227 K CB -0.050 32.144 32.500 -0.510 0.000 0.712 227 K HN 0.245 nan 8.250 nan 0.000 0.441 228 D N 0.591 120.935 120.400 -0.094 0.000 2.183 228 D HA -0.099 4.541 4.640 0.000 0.000 0.203 228 D C 1.727 178.016 176.300 -0.019 0.000 0.969 228 D CA 0.764 54.731 54.000 -0.055 0.000 0.842 228 D CB -0.027 40.751 40.800 -0.037 0.000 0.957 228 D HN 0.226 nan 8.370 nan 0.000 0.484 229 L N -0.297 120.928 121.223 0.003 0.000 2.549 229 L HA 0.027 4.367 4.340 0.000 0.000 0.229 229 L C 1.427 178.325 176.870 0.047 0.000 1.158 229 L CA 0.701 55.568 54.840 0.045 0.000 0.842 229 L CB -0.346 41.773 42.059 0.099 0.000 0.952 229 L HN 0.156 nan 8.230 nan 0.000 0.452 230 G N -0.260 108.552 108.800 0.020 0.000 2.132 230 G HA2 -0.293 3.667 3.960 0.000 0.000 0.228 230 G HA3 -0.293 3.667 3.960 0.000 0.000 0.228 230 G C 0.328 175.270 174.900 0.070 0.000 1.000 230 G CA -0.175 44.944 45.100 0.031 0.000 0.693 230 G HN 0.296 nan 8.290 nan 0.000 0.515 231 M N 1.918 121.567 119.600 0.081 0.000 3.596 231 M HA 0.319 4.799 4.480 0.000 0.000 0.212 231 M C 1.944 178.355 176.300 0.186 0.000 1.519 231 M CA 0.556 55.946 55.300 0.151 0.000 1.670 231 M CB 0.025 32.726 32.600 0.169 0.000 1.113 231 M HN 0.239 nan 8.290 nan 0.000 0.565 232 G N 0.726 109.617 108.800 0.152 0.000 2.432 232 G HA2 -0.166 3.794 3.960 0.000 0.000 0.219 232 G HA3 -0.166 3.794 3.960 0.000 0.000 0.219 232 G C 1.496 176.520 174.900 0.206 0.000 1.135 232 G CA 1.108 46.306 45.100 0.164 0.000 0.767 232 G HN 0.673 nan 8.290 nan 0.000 0.550 233 A N 0.111 123.045 122.820 0.191 0.000 1.898 233 A HA 0.258 4.578 4.320 0.000 0.000 0.214 233 A C 2.132 179.827 177.584 0.187 0.000 1.183 233 A CA 0.965 53.096 52.037 0.157 0.000 0.622 233 A CB -0.483 18.582 19.000 0.109 0.000 0.824 233 A HN 0.351 nan 8.150 nan 0.000 0.444 234 F N -1.206 118.779 119.950 0.059 0.000 2.069 234 F HA -0.270 4.257 4.527 0.000 0.000 0.298 234 F C 2.283 178.123 175.800 0.068 0.000 1.113 234 F CA 1.998 60.026 58.000 0.048 0.000 1.214 234 F CB -0.252 38.780 39.000 0.053 0.000 0.978 234 F HN 0.384 nan 8.300 nan 0.000 0.474 235 Y N 0.811 121.269 120.300 0.264 0.000 2.128 235 Y HA -0.293 4.257 4.550 0.000 0.000 0.284 235 Y C 2.332 178.299 175.900 0.111 0.000 1.154 235 Y CA 1.604 59.773 58.100 0.116 0.000 1.149 235 Y CB -0.890 37.594 38.460 0.040 0.000 0.976 235 Y HN 0.119 nan 8.280 nan 0.000 0.505 236 A N -0.739 122.193 122.820 0.187 0.000 1.908 236 A HA -0.202 4.118 4.320 0.000 0.000 0.218 236 A C 2.350 179.932 177.584 -0.003 0.000 1.181 236 A CA 2.109 54.192 52.037 0.078 0.000 0.627 236 A CB -1.377 17.689 19.000 0.110 0.000 0.818 236 A HN 0.352 nan 8.150 nan 0.000 0.445 237 V N -0.340 119.591 119.914 0.027 0.000 2.287 237 V HA -0.200 3.920 4.120 0.000 0.000 0.248 237 V C 2.735 178.814 176.094 -0.025 0.000 1.053 237 V CA 2.151 64.450 62.300 -0.002 0.000 1.027 237 V CB -1.286 30.531 31.823 -0.009 0.000 0.646 237 V HN 0.627 nan 8.190 nan 0.000 0.447 238 G N -0.251 108.529 108.800 -0.034 0.000 2.511 238 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 238 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 238 G C 1.408 176.202 174.900 -0.175 0.000 1.133 238 G CA 0.640 45.696 45.100 -0.074 0.000 0.792 238 G HN 0.687 nan 8.290 nan 0.000 0.539 239 Q N 0.046 119.662 119.800 -0.306 0.000 2.234 239 Q HA 0.024 4.364 4.340 0.000 0.000 0.206 239 Q C 2.341 178.261 176.000 -0.133 0.000 0.980 239 Q CA 1.422 57.038 55.803 -0.311 0.000 0.869 239 Q CB -0.678 27.853 28.738 -0.346 0.000 0.912 239 Q HN 0.258 nan 8.270 nan 0.000 0.436 240 G N 0.767 109.515 108.800 -0.087 0.000 2.470 240 G HA2 -0.170 3.790 3.960 0.000 0.000 0.220 240 G HA3 -0.170 3.790 3.960 0.000 0.000 0.220 240 G C 0.546 175.425 174.900 -0.035 0.000 1.121 240 G CA 0.514 45.588 45.100 -0.044 0.000 0.766 240 G HN 0.354 nan 8.290 nan 0.000 0.553 241 S N -0.692 114.983 115.700 -0.041 0.000 2.617 241 S HA 0.351 4.821 4.470 0.000 0.000 0.283 241 S C 0.740 175.318 174.600 -0.035 0.000 1.189 241 S CA -0.622 57.562 58.200 -0.027 0.000 1.036 241 S CB 1.320 64.513 63.200 -0.012 0.000 1.014 241 S HN 0.081 nan 8.310 nan 0.000 0.522 242 D N 1.161 121.540 120.400 -0.034 0.000 2.224 242 D HA 0.020 4.660 4.640 0.000 0.000 0.205 242 D C 0.178 176.444 176.300 -0.057 0.000 0.965 242 D CA 1.080 55.054 54.000 -0.042 0.000 0.852 242 D CB 0.116 40.889 40.800 -0.044 0.000 0.947 242 D HN 0.432 nan 8.370 nan 0.000 0.494 243 Q N 1.664 121.429 119.800 -0.060 0.000 2.337 243 Q HA 0.232 4.572 4.340 0.000 0.000 0.255 243 Q C -2.201 173.783 176.000 -0.027 0.000 0.997 243 Q CA -1.813 53.947 55.803 -0.072 0.000 0.925 243 Q CB 1.318 30.010 28.738 -0.078 0.000 1.212 243 Q HN 0.207 nan 8.270 nan 0.000 0.436 244 P HA 0.203 nan 4.420 nan 0.000 0.274 244 P C -2.500 174.813 177.300 0.021 0.000 1.237 244 P CA -1.377 61.714 63.100 -0.014 0.000 0.793 244 P CB 0.071 31.767 31.700 -0.007 0.000 0.977 245 P HA 0.195 nan 4.420 nan 0.000 0.272 245 P C -0.391 176.923 177.300 0.024 0.000 1.230 245 P CA 0.094 63.234 63.100 0.068 0.000 0.788 245 P CB 0.771 32.511 31.700 0.066 0.000 0.949 246 R N 1.169 121.716 120.500 0.078 0.000 2.564 246 R HA 0.443 4.783 4.340 0.000 0.000 0.284 246 R C -0.988 175.366 176.300 0.089 0.000 1.031 246 R CA -1.056 55.067 56.100 0.038 0.000 0.904 246 R CB 1.659 32.008 30.300 0.082 0.000 1.199 246 R HN 0.417 nan 8.270 nan 0.000 0.443 247 L N 4.398 125.607 121.223 -0.023 0.000 2.262 247 L HA 0.517 4.858 4.340 0.000 0.000 0.288 247 L C -0.741 176.121 176.870 -0.013 0.000 1.035 247 L CA -0.156 54.703 54.840 0.033 0.000 0.820 247 L CB 0.682 42.683 42.059 -0.098 0.000 1.204 247 L HN 0.540 nan 8.230 nan 0.000 0.424 248 I N 5.963 126.538 120.570 0.008 0.000 2.321 248 I HA 0.361 4.531 4.170 0.000 0.000 0.291 248 I C -0.544 175.552 176.117 -0.035 0.000 0.998 248 I CA -0.843 60.448 61.300 -0.016 0.000 1.227 248 I CB 1.544 39.527 38.000 -0.030 0.000 1.368 248 I HN 0.255 nan 8.210 nan 0.000 0.466 249 V N 7.578 127.491 119.914 -0.001 0.000 2.370 249 V HA 0.372 4.492 4.120 0.000 0.000 0.279 249 V C -0.296 175.804 176.094 0.009 0.000 1.029 249 V CA -0.532 61.783 62.300 0.025 0.000 0.870 249 V CB 1.295 33.199 31.823 0.135 0.000 0.984 249 V HN 0.369 nan 8.190 nan 0.000 0.451 250 L N 4.785 125.987 121.223 -0.035 0.000 2.342 250 L HA 0.517 4.857 4.340 0.000 0.000 0.276 250 L C -0.061 176.806 176.870 -0.006 0.000 0.997 250 L CA -0.248 54.588 54.840 -0.008 0.000 0.838 250 L CB 1.361 43.402 42.059 -0.030 0.000 1.224 250 L HN 0.508 nan 8.230 nan 0.000 0.416 251 N N 2.525 121.243 118.700 0.031 0.000 2.469 251 N HA 0.166 4.906 4.740 0.000 0.000 0.253 251 N C -1.591 173.979 175.510 0.101 0.000 0.970 251 N CA -0.347 52.716 53.050 0.022 0.000 0.940 251 N CB 0.879 39.377 38.487 0.018 0.000 1.128 251 N HN 0.486 nan 8.380 nan 0.000 0.503 252 Y N 3.412 123.698 120.300 -0.022 0.000 2.369 252 Y HA 0.304 4.855 4.550 0.000 0.000 0.337 252 Y C -0.536 175.371 175.900 0.011 0.000 0.961 252 Y CA -0.650 57.451 58.100 0.001 0.000 1.186 252 Y CB 0.764 39.221 38.460 -0.005 0.000 1.139 252 Y HN 0.310 nan 8.280 nan 0.000 0.494 253 Q N 5.272 124.808 119.800 -0.441 0.000 2.490 253 Q HA 0.283 4.623 4.340 0.000 0.000 0.226 253 Q C 0.483 176.103 176.000 -0.635 0.000 1.132 253 Q CA 0.201 55.770 55.803 -0.390 0.000 0.928 253 Q CB 1.394 30.022 28.738 -0.182 0.000 1.299 253 Q HN 1.106 nan 8.270 nan 0.000 0.528 254 G N 1.173 109.571 108.800 -0.670 0.000 2.939 254 G HA2 0.205 4.165 3.960 0.000 0.000 0.216 254 G HA3 0.205 4.165 3.960 0.000 0.000 0.216 254 G C 0.594 175.429 174.900 -0.107 0.000 1.125 254 G CA 0.343 45.181 45.100 -0.437 0.000 0.766 254 G HN 0.545 nan 8.290 nan 0.000 0.541 255 G N 0.088 108.848 108.800 -0.067 0.000 2.671 255 G HA2 0.512 4.472 3.960 0.000 0.000 0.275 255 G HA3 0.512 4.472 3.960 0.000 0.000 0.275 255 G C -0.421 174.463 174.900 -0.026 0.000 1.368 255 G CA -0.826 44.268 45.100 -0.010 0.000 1.044 255 G HN 0.213 nan 8.290 nan 0.000 0.543 256 K N -0.425 119.970 120.400 -0.009 0.000 2.380 256 K HA 0.116 4.436 4.320 0.000 0.000 0.267 256 K C 1.271 177.862 176.600 -0.016 0.000 0.990 256 K CA -0.146 56.134 56.287 -0.012 0.000 0.946 256 K CB 1.110 33.608 32.500 -0.004 0.000 0.937 256 K HN 0.462 nan 8.250 nan 0.000 0.491 257 K N 1.866 122.257 120.400 -0.015 0.000 2.074 257 K HA -0.207 4.113 4.320 0.000 0.000 0.209 257 K C 1.301 177.897 176.600 -0.008 0.000 1.048 257 K CA 2.059 58.339 56.287 -0.012 0.000 0.926 257 K CB -0.146 32.350 32.500 -0.007 0.000 0.713 257 K HN 0.664 nan 8.250 nan 0.000 0.444 258 A N 0.538 123.353 122.820 -0.008 0.000 2.337 258 A HA 0.094 4.414 4.320 0.000 0.000 0.227 258 A C -0.624 176.950 177.584 -0.016 0.000 1.259 258 A CA -0.196 51.836 52.037 -0.008 0.000 0.870 258 A CB -0.121 18.876 19.000 -0.005 0.000 0.927 258 A HN 0.241 nan 8.150 nan 0.000 0.497 259 D N 1.623 122.011 120.400 -0.020 0.000 2.348 259 D HA 0.151 4.791 4.640 0.000 0.000 0.253 259 D C -0.159 176.100 176.300 -0.068 0.000 1.161 259 D CA 0.273 54.251 54.000 -0.038 0.000 0.876 259 D CB 0.801 41.588 40.800 -0.022 0.000 1.160 259 D HN 0.238 nan 8.370 nan 0.000 0.459 260 K N 3.458 123.796 120.400 -0.103 0.000 2.489 260 K HA 0.075 4.395 4.320 0.000 0.000 0.278 260 K C -2.085 174.367 176.600 -0.248 0.000 1.000 260 K CA -0.801 55.404 56.287 -0.137 0.000 1.012 260 K CB 0.247 32.664 32.500 -0.138 0.000 0.903 260 K HN 0.234 nan 8.250 nan 0.000 0.485 261 P HA 0.084 nan 4.420 nan 0.000 0.277 261 P C -0.816 176.302 177.300 -0.304 0.000 1.240 261 P CA -0.172 62.827 63.100 -0.169 0.000 0.798 261 P CB 0.463 32.132 31.700 -0.052 0.000 0.979 262 F N 0.168 120.143 119.950 0.042 0.000 2.404 262 F HA 0.289 4.816 4.527 0.000 0.000 0.345 262 F C 0.604 176.408 175.800 0.007 0.000 1.110 262 F CA -0.373 57.663 58.000 0.060 0.000 1.130 262 F CB 0.904 39.979 39.000 0.124 0.000 1.129 262 F HN -0.063 nan 8.300 nan 0.000 0.500 263 V N 5.180 125.179 119.914 0.142 0.000 2.459 263 V HA 0.425 4.545 4.120 0.000 0.000 0.295 263 V C -0.278 175.848 176.094 0.053 0.000 1.029 263 V CA -0.816 61.502 62.300 0.030 0.000 0.874 263 V CB 1.808 33.605 31.823 -0.042 0.000 0.985 263 V HN 0.525 nan 8.190 nan 0.000 0.438 264 L N 5.468 126.706 121.223 0.025 0.000 2.319 264 L HA 0.589 4.929 4.340 0.000 0.000 0.281 264 L C -0.744 176.131 176.870 0.009 0.000 1.005 264 L CA -0.727 54.122 54.840 0.016 0.000 0.828 264 L CB 1.975 44.035 42.059 0.001 0.000 1.227 264 L HN 0.359 nan 8.230 nan 0.000 0.415 265 V N 2.181 122.120 119.914 0.041 0.000 2.370 265 V HA 0.554 4.674 4.120 0.000 0.000 0.279 265 V C 0.630 176.744 176.094 0.034 0.000 1.029 265 V CA -0.475 61.857 62.300 0.054 0.000 0.870 265 V CB 1.403 33.297 31.823 0.119 0.000 0.984 265 V HN 0.853 nan 8.190 nan 0.000 0.451 266 G N 3.342 112.141 108.800 -0.001 0.000 2.368 266 G HA2 0.449 4.409 3.960 0.000 0.000 0.320 266 G HA3 0.449 4.409 3.960 0.000 0.000 0.320 266 G C -0.430 174.464 174.900 -0.010 0.000 1.158 266 G CA -0.690 44.404 45.100 -0.009 0.000 0.912 266 G HN 0.689 nan 8.290 nan 0.000 0.456 267 K N 1.964 122.365 120.400 0.002 0.000 2.363 267 K HA 0.289 4.609 4.320 0.000 0.000 0.289 267 K C 0.631 177.226 176.600 -0.008 0.000 1.063 267 K CA -0.154 56.121 56.287 -0.019 0.000 0.967 267 K CB 0.319 32.818 32.500 -0.002 0.000 0.987 267 K HN 0.423 nan 8.250 nan 0.000 0.473 268 G N 6.470 115.260 108.800 -0.017 0.000 4.873 268 G HA2 0.234 4.194 3.960 0.000 0.000 0.314 268 G HA3 0.234 4.194 3.960 0.000 0.000 0.314 268 G C -0.218 174.694 174.900 0.020 0.000 1.426 268 G CA -0.514 44.599 45.100 0.021 0.000 1.136 268 G HN 0.543 nan 8.290 nan 0.000 0.589 269 I N 2.980 123.543 120.570 -0.011 0.000 2.308 269 I HA 0.077 4.247 4.170 0.000 0.000 0.293 269 I C 1.912 178.022 176.117 -0.011 0.000 1.078 269 I CA 0.017 61.305 61.300 -0.020 0.000 1.292 269 I CB 0.309 38.271 38.000 -0.063 0.000 1.423 269 I HN 0.332 nan 8.210 nan 0.000 0.493 270 T N 3.376 117.956 114.554 0.044 0.000 2.904 270 T HA -0.048 4.302 4.350 0.000 0.000 0.267 270 T C 0.379 175.142 174.700 0.104 0.000 1.059 270 T CA 0.846 62.988 62.100 0.069 0.000 1.137 270 T CB 0.066 69.006 68.868 0.120 0.000 0.879 270 T HN 0.262 nan 8.240 nan 0.000 0.467 271 F N 0.964 120.881 119.950 -0.054 0.000 2.581 271 F HA 0.544 5.071 4.527 0.000 0.000 0.311 271 F C -1.927 173.834 175.800 -0.066 0.000 1.113 271 F CA -1.733 56.215 58.000 -0.086 0.000 0.935 271 F CB 2.252 41.198 39.000 -0.090 0.000 1.232 271 F HN -0.088 nan 8.300 nan 0.000 0.445 272 D N 2.465 122.368 120.400 -0.829 0.000 2.453 272 D HA 0.211 4.851 4.640 0.000 0.000 0.238 272 D C 0.621 176.625 176.300 -0.494 0.000 1.088 272 D CA -0.086 53.628 54.000 -0.477 0.000 0.854 272 D CB 1.396 41.985 40.800 -0.352 0.000 1.076 272 D HN 0.592 nan 8.370 nan 0.000 0.533 273 T N 0.441 114.912 114.554 -0.138 0.000 3.100 273 T HA 0.300 4.650 4.350 0.000 0.000 0.253 273 T C 1.535 176.215 174.700 -0.034 0.000 1.118 273 T CA 0.606 62.705 62.100 -0.001 0.000 1.058 273 T CB 0.145 69.085 68.868 0.120 0.000 0.953 273 T HN 0.559 nan 8.240 nan 0.000 0.515 274 G N 0.705 109.464 108.800 -0.068 0.000 2.253 274 G HA2 0.103 4.064 3.960 0.000 0.000 0.251 274 G HA3 0.103 4.064 3.960 0.000 0.000 0.251 274 G C 1.183 176.065 174.900 -0.030 0.000 0.998 274 G CA 0.378 45.449 45.100 -0.049 0.000 0.621 274 G HN 1.760 nan 8.290 nan 0.000 0.524 275 G N 0.205 108.997 108.800 -0.014 0.000 2.528 275 G HA2 -0.133 3.827 3.960 0.000 0.000 0.262 275 G HA3 -0.133 3.827 3.960 0.000 0.000 0.262 275 G C 0.895 175.793 174.900 -0.002 0.000 1.200 275 G CA 0.543 45.639 45.100 -0.006 0.000 0.951 275 G HN 0.978 nan 8.290 nan 0.000 0.566 276 I N 1.708 122.276 120.570 -0.003 0.000 2.208 276 I HA -0.086 4.084 4.170 0.000 0.000 0.245 276 I C 2.346 178.463 176.117 -0.001 0.000 1.097 276 I CA 2.128 63.428 61.300 -0.001 0.000 1.363 276 I CB -1.556 36.444 38.000 0.000 0.000 1.051 276 I HN 0.424 nan 8.210 nan 0.000 0.413 277 S N 2.652 118.348 115.700 -0.005 0.000 4.117 277 S HA 0.118 4.588 4.470 0.000 0.000 0.191 277 S C 0.277 174.872 174.600 -0.008 0.000 1.308 277 S CA -0.363 57.833 58.200 -0.006 0.000 0.906 277 S CB -1.037 62.156 63.200 -0.011 0.000 1.565 277 S HN 0.152 nan 8.310 nan 0.000 0.439 278 L N 2.897 124.119 121.223 -0.002 0.000 2.499 278 L HA 0.102 4.443 4.340 0.000 0.000 0.273 278 L C 0.443 177.314 176.870 0.001 0.000 1.195 278 L CA 0.591 55.432 54.840 0.002 0.000 0.882 278 L CB 0.299 42.364 42.059 0.009 0.000 1.133 278 L HN 0.311 nan 8.230 nan 0.000 0.483 279 K N 5.392 125.792 120.400 -0.001 0.000 2.219 279 K HA 0.292 4.613 4.320 0.000 0.000 0.258 279 K C -2.117 174.489 176.600 0.010 0.000 1.008 279 K CA -1.426 54.860 56.287 -0.002 0.000 0.928 279 K CB -0.130 32.361 32.500 -0.015 0.000 0.983 279 K HN 0.504 nan 8.250 nan 0.000 0.484 280 P HA 0.002 nan 4.420 nan 0.000 0.272 280 P C 0.622 177.936 177.300 0.024 0.000 1.230 280 P CA -0.245 62.865 63.100 0.016 0.000 0.788 280 P CB 0.543 32.252 31.700 0.015 0.000 0.949 281 G N 1.011 109.825 108.800 0.024 0.000 2.418 281 G HA2 -0.103 3.857 3.960 0.000 0.000 0.217 281 G HA3 -0.103 3.857 3.960 0.000 0.000 0.217 281 G C 0.565 175.484 174.900 0.032 0.000 1.158 281 G CA 0.602 45.719 45.100 0.029 0.000 0.771 281 G HN 0.806 nan 8.290 nan 0.000 0.545 282 A N 0.259 123.095 122.820 0.028 0.000 2.561 282 A HA 0.452 4.772 4.320 0.000 0.000 0.251 282 A C 1.737 179.345 177.584 0.041 0.000 1.062 282 A CA 0.927 52.982 52.037 0.030 0.000 0.761 282 A CB -0.715 18.301 19.000 0.026 0.000 0.986 282 A HN 1.854 nan 8.150 nan 0.000 0.510 283 G N 2.319 111.147 108.800 0.047 0.000 2.233 283 G HA2 -0.339 3.621 3.960 0.000 0.000 0.270 283 G HA3 -0.339 3.621 3.960 0.000 0.000 0.270 283 G C 0.759 175.697 174.900 0.063 0.000 1.011 283 G CA 0.739 45.877 45.100 0.063 0.000 0.762 283 G HN 0.913 nan 8.290 nan 0.000 0.511 284 M N 0.378 120.016 119.600 0.064 0.000 2.374 284 M HA -0.065 4.415 4.480 0.000 0.000 0.264 284 M C 2.408 178.797 176.300 0.149 0.000 1.067 284 M CA 2.226 57.578 55.300 0.087 0.000 1.103 284 M CB -0.203 32.476 32.600 0.133 0.000 1.402 284 M HN 0.459 nan 8.290 nan 0.000 0.444 285 D N -0.069 120.393 120.400 0.104 0.000 2.221 285 D HA -0.235 4.405 4.640 0.000 0.000 0.204 285 D C 1.176 177.455 176.300 -0.034 0.000 0.982 285 D CA 1.353 55.396 54.000 0.072 0.000 0.857 285 D CB -0.823 39.968 40.800 -0.016 0.000 0.934 285 D HN 0.503 nan 8.370 nan 0.000 0.475 286 E N -0.539 119.613 120.200 -0.080 0.000 2.409 286 E HA -0.053 4.297 4.350 0.000 0.000 0.198 286 E C 1.588 177.876 176.600 -0.521 0.000 1.024 286 E CA 0.370 56.619 56.400 -0.252 0.000 0.861 286 E CB -0.119 29.584 29.700 0.005 0.000 0.788 286 E HN 0.316 nan 8.360 nan 0.000 0.521 287 M N 0.925 120.284 119.600 -0.402 0.000 2.659 287 M HA -0.062 4.418 4.480 0.000 0.000 0.243 287 M C 1.873 177.804 176.300 -0.615 0.000 1.111 287 M CA 0.949 55.880 55.300 -0.615 0.000 1.070 287 M CB -0.559 31.512 32.600 -0.881 0.000 1.525 287 M HN 0.073 nan 8.290 nan 0.000 0.517 288 K N -0.585 119.591 120.400 -0.373 0.000 2.362 288 K HA -0.141 4.179 4.320 0.000 0.000 0.200 288 K C 0.800 177.092 176.600 -0.513 0.000 1.046 288 K CA 1.154 57.267 56.287 -0.291 0.000 0.952 288 K CB -0.381 31.894 32.500 -0.375 0.000 0.753 288 K HN 0.194 nan 8.250 nan 0.000 0.466 289 Y N 1.537 121.527 120.300 -0.516 0.000 2.529 289 Y HA 0.038 4.589 4.550 0.000 0.000 0.290 289 Y C 0.989 176.681 175.900 -0.347 0.000 1.177 289 Y CA -0.057 57.695 58.100 -0.581 0.000 1.305 289 Y CB -0.180 37.507 38.460 -1.288 0.000 1.047 289 Y HN 0.168 nan 8.280 nan 0.000 0.522 290 D N 0.148 120.425 120.400 -0.206 0.000 2.363 290 D HA -0.053 4.587 4.640 0.000 0.000 0.226 290 D C 1.208 177.493 176.300 -0.025 0.000 1.020 290 D CA 0.571 54.517 54.000 -0.089 0.000 0.892 290 D CB 0.025 40.726 40.800 -0.166 0.000 0.900 290 D HN 0.328 nan 8.370 nan 0.000 0.531 291 M N -2.673 116.922 119.600 -0.009 0.000 2.405 291 M HA 0.301 4.782 4.480 0.000 0.000 0.292 291 M C 1.280 177.613 176.300 0.054 0.000 1.111 291 M CA -0.271 55.045 55.300 0.027 0.000 0.979 291 M CB -0.669 31.953 32.600 0.038 0.000 1.426 291 M HN -0.176 nan 8.290 nan 0.000 0.509 292 C N 1.379 120.727 119.300 0.080 0.000 2.419 292 C HA 0.049 4.509 4.460 0.000 0.000 0.281 292 C C 2.779 177.804 174.990 0.059 0.000 1.336 292 C CA 1.333 60.406 59.018 0.092 0.000 1.770 292 C CB -1.630 26.208 27.740 0.162 0.000 1.929 292 C HN 0.839 nan 8.230 nan 0.000 0.509 293 G N 0.690 109.521 108.800 0.051 0.000 2.459 293 G HA2 -0.104 3.856 3.960 0.000 0.000 0.217 293 G HA3 -0.104 3.856 3.960 0.000 0.000 0.217 293 G C 1.912 176.820 174.900 0.014 0.000 1.183 293 G CA 1.099 46.215 45.100 0.027 0.000 0.776 293 G HN 0.591 nan 8.290 nan 0.000 0.552 294 A N 1.184 124.014 122.820 0.018 0.000 1.908 294 A HA 0.180 4.500 4.320 0.000 0.000 0.218 294 A C 2.842 180.458 177.584 0.053 0.000 1.181 294 A CA 2.557 54.597 52.037 0.005 0.000 0.627 294 A CB -0.907 18.110 19.000 0.027 0.000 0.818 294 A HN 0.906 nan 8.150 nan 0.000 0.445 295 A N 0.325 123.191 122.820 0.078 0.000 1.908 295 A HA -0.125 4.195 4.320 0.000 0.000 0.218 295 A C 2.521 180.119 177.584 0.023 0.000 1.181 295 A CA 2.511 54.580 52.037 0.053 0.000 0.627 295 A CB -1.059 17.941 19.000 -0.000 0.000 0.818 295 A HN 1.092 nan 8.150 nan 0.000 0.445 296 S N -0.551 115.159 115.700 0.016 0.000 2.419 296 S HA -0.092 4.378 4.470 0.000 0.000 0.233 296 S C 1.699 176.310 174.600 0.018 0.000 1.016 296 S CA 1.398 59.603 58.200 0.009 0.000 0.974 296 S CB -0.715 62.483 63.200 -0.004 0.000 0.786 296 S HN 0.247 nan 8.310 nan 0.000 0.492 297 V N 0.607 120.525 119.914 0.007 0.000 2.346 297 V HA 0.000 4.120 4.120 0.000 0.000 0.244 297 V C 2.207 178.317 176.094 0.027 0.000 1.037 297 V CA 1.425 63.715 62.300 -0.016 0.000 1.029 297 V CB -1.058 30.721 31.823 -0.073 0.000 0.663 297 V HN 0.367 nan 8.190 nan 0.000 0.454 298 F N 1.947 121.870 119.950 -0.045 0.000 2.063 298 F HA -0.224 4.303 4.527 0.000 0.000 0.298 298 F C 2.357 178.218 175.800 0.101 0.000 1.109 298 F CA 1.941 59.929 58.000 -0.019 0.000 1.212 298 F CB -1.243 37.569 39.000 -0.314 0.000 0.973 298 F HN 0.202 nan 8.300 nan 0.000 0.480 299 G N -2.223 106.721 108.800 0.240 0.000 2.421 299 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 299 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 299 G C 1.703 176.699 174.900 0.159 0.000 1.143 299 G CA 1.192 46.446 45.100 0.255 0.000 0.784 299 G HN 0.340 nan 8.290 nan 0.000 0.541 300 T N 1.212 115.819 114.554 0.088 0.000 2.746 300 T HA -0.116 4.234 4.350 0.000 0.000 0.267 300 T C 2.232 176.933 174.700 0.002 0.000 1.039 300 T CA 1.099 63.218 62.100 0.032 0.000 1.142 300 T CB -0.217 68.655 68.868 0.008 0.000 0.866 300 T HN 0.125 nan 8.240 nan 0.000 0.444 301 L N 1.626 122.865 121.223 0.025 0.000 2.012 301 L HA -0.051 4.289 4.340 0.000 0.000 0.210 301 L C 2.478 179.302 176.870 -0.077 0.000 1.073 301 L CA 1.860 56.676 54.840 -0.039 0.000 0.748 301 L CB -0.651 41.425 42.059 0.028 0.000 0.891 301 L HN 0.101 nan 8.230 nan 0.000 0.431 302 R N -0.709 119.823 120.500 0.054 0.000 2.081 302 R HA -0.149 4.191 4.340 0.000 0.000 0.235 302 R C 2.171 178.440 176.300 -0.051 0.000 1.131 302 R CA 1.495 57.590 56.100 -0.008 0.000 0.960 302 R CB -0.429 29.926 30.300 0.091 0.000 0.856 302 R HN 0.494 nan 8.270 nan 0.000 0.436 303 A N 0.156 122.969 122.820 -0.013 0.000 1.902 303 A HA -0.104 4.216 4.320 0.000 0.000 0.217 303 A C 2.269 179.801 177.584 -0.087 0.000 1.181 303 A CA 1.648 53.669 52.037 -0.026 0.000 0.623 303 A CB -0.589 18.409 19.000 -0.004 0.000 0.818 303 A HN 0.236 nan 8.150 nan 0.000 0.443 304 V N -0.027 119.794 119.914 -0.155 0.000 2.407 304 V HA -0.247 3.873 4.120 0.000 0.000 0.248 304 V C 2.551 178.436 176.094 -0.349 0.000 1.055 304 V CA 1.887 64.032 62.300 -0.259 0.000 1.049 304 V CB -0.706 30.901 31.823 -0.359 0.000 0.662 304 V HN 0.554 nan 8.190 nan 0.000 0.455 305 L N -0.471 120.529 121.223 -0.371 0.000 2.005 305 L HA -0.179 4.161 4.340 0.000 0.000 0.207 305 L C 2.608 179.413 176.870 -0.109 0.000 1.072 305 L CA 1.735 56.379 54.840 -0.326 0.000 0.744 305 L CB -0.610 41.141 42.059 -0.513 0.000 0.895 305 L HN 0.346 nan 8.230 nan 0.000 0.433 306 E N 0.138 120.295 120.200 -0.070 0.000 2.070 306 E HA -0.257 4.094 4.350 0.000 0.000 0.197 306 E C 2.134 178.750 176.600 0.026 0.000 1.004 306 E CA 1.340 57.745 56.400 0.008 0.000 0.805 306 E CB -0.203 29.506 29.700 0.016 0.000 0.744 306 E HN 0.458 nan 8.360 nan 0.000 0.451 307 L N 0.299 121.526 121.223 0.007 0.000 2.554 307 L HA -0.023 4.317 4.340 0.000 0.000 0.226 307 L C 0.399 177.299 176.870 0.050 0.000 1.137 307 L CA 0.147 55.010 54.840 0.038 0.000 0.863 307 L CB -0.163 41.905 42.059 0.015 0.000 0.985 307 L HN 0.099 nan 8.230 nan 0.000 0.451 308 Q N 0.860 120.690 119.800 0.050 0.000 2.435 308 Q HA -0.201 4.139 4.340 0.000 0.000 0.312 308 Q C -0.324 175.764 176.000 0.146 0.000 1.333 308 Q CA 0.226 56.109 55.803 0.134 0.000 0.883 308 Q CB -1.658 27.159 28.738 0.131 0.000 1.170 308 Q HN 0.478 nan 8.270 nan 0.000 0.443 309 L N 1.171 122.456 121.223 0.104 0.000 2.485 309 L HA 0.078 4.418 4.340 0.000 0.000 0.275 309 L C -1.338 175.639 176.870 0.179 0.000 1.207 309 L CA -1.285 53.612 54.840 0.095 0.000 0.855 309 L CB -0.097 41.975 42.059 0.021 0.000 1.114 309 L HN 0.047 nan 8.230 nan 0.000 0.485 310 P HA 0.137 nan 4.420 nan 0.000 0.214 310 P C -0.748 176.621 177.300 0.115 0.000 1.826 310 P CA -0.075 63.087 63.100 0.103 0.000 0.977 310 P CB 0.073 31.810 31.700 0.061 0.000 1.930 311 V N -1.144 118.884 119.914 0.191 0.000 3.001 311 V HA 0.554 4.674 4.120 0.000 0.000 0.314 311 V C -0.374 175.845 176.094 0.208 0.000 1.099 311 V CA -1.437 60.998 62.300 0.226 0.000 0.989 311 V CB 2.065 34.069 31.823 0.301 0.000 1.040 311 V HN 0.002 nan 8.190 nan 0.000 0.434 312 N N 1.697 120.500 118.700 0.171 0.000 2.422 312 N HA 0.623 5.363 4.740 0.000 0.000 0.264 312 N C -1.198 174.449 175.510 0.228 0.000 1.063 312 N CA -0.401 52.715 53.050 0.110 0.000 0.959 312 N CB 1.492 39.987 38.487 0.014 0.000 1.087 312 N HN 0.659 nan 8.380 nan 0.000 0.483 313 L N 3.712 125.087 121.223 0.254 0.000 2.406 313 L HA 0.481 4.821 4.340 0.000 0.000 0.272 313 L C -1.370 175.551 176.870 0.084 0.000 0.980 313 L CA -0.744 54.231 54.840 0.224 0.000 0.831 313 L CB 1.755 43.963 42.059 0.249 0.000 1.253 313 L HN 0.212 nan 8.230 nan 0.000 0.406 314 V N 4.162 124.054 119.914 -0.035 0.000 2.384 314 V HA 0.443 4.563 4.120 0.000 0.000 0.287 314 V C -0.397 175.616 176.094 -0.136 0.000 1.020 314 V CA -0.574 61.610 62.300 -0.194 0.000 0.850 314 V CB 1.333 32.822 31.823 -0.557 0.000 0.987 314 V HN 0.855 nan 8.190 nan 0.000 0.436 315 C N 6.342 125.575 119.300 -0.112 0.000 2.341 315 C HA 0.719 5.179 4.460 0.000 0.000 0.338 315 C C 0.016 174.945 174.990 -0.102 0.000 1.257 315 C CA -0.880 58.078 59.018 -0.101 0.000 1.883 315 C CB 0.240 27.905 27.740 -0.124 0.000 2.334 315 C HN 0.732 nan 8.230 nan 0.000 0.524 316 L N 3.800 124.985 121.223 -0.062 0.000 2.372 316 L HA 0.563 4.903 4.340 0.000 0.000 0.274 316 L C -0.772 176.078 176.870 -0.034 0.000 0.988 316 L CA -0.287 54.543 54.840 -0.017 0.000 0.833 316 L CB 0.979 43.082 42.059 0.075 0.000 1.236 316 L HN 0.542 nan 8.230 nan 0.000 0.410 317 L N 3.559 124.751 121.223 -0.052 0.000 2.319 317 L HA 0.628 4.968 4.340 0.000 0.000 0.281 317 L C 0.215 177.108 176.870 0.039 0.000 1.005 317 L CA -0.507 54.301 54.840 -0.053 0.000 0.828 317 L CB 1.872 43.844 42.059 -0.144 0.000 1.227 317 L HN 0.663 nan 8.230 nan 0.000 0.415 318 A N 3.319 126.157 122.820 0.031 0.000 2.478 318 A HA 0.538 4.858 4.320 0.000 0.000 0.327 318 A C -0.359 177.240 177.584 0.025 0.000 1.431 318 A CA -0.321 51.736 52.037 0.033 0.000 1.014 318 A CB -0.060 18.780 19.000 -0.267 0.000 1.143 318 A HN 0.754 nan 8.150 nan 0.000 0.532 319 C N 2.397 121.837 119.300 0.232 0.000 2.322 319 C HA 0.908 5.368 4.460 0.000 0.000 0.324 319 C C 0.685 175.821 174.990 0.244 0.000 1.284 319 C CA -0.085 59.039 59.018 0.178 0.000 1.606 319 C CB 0.176 28.019 27.740 0.171 0.000 2.251 319 C HN 1.053 nan 8.230 nan 0.000 0.502 320 A N 2.469 125.376 122.820 0.146 0.000 2.609 320 A HA 0.805 5.125 4.320 0.000 0.000 0.291 320 A C -1.430 176.204 177.584 0.084 0.000 1.096 320 A CA -0.448 51.671 52.037 0.136 0.000 0.684 320 A CB 1.175 20.256 19.000 0.134 0.000 1.282 320 A HN 0.792 nan 8.150 nan 0.000 0.412 321 E N 0.698 120.941 120.200 0.072 0.000 2.176 321 E HA 0.305 4.655 4.350 0.000 0.000 0.267 321 E C -1.233 175.391 176.600 0.040 0.000 0.893 321 E CA -0.617 55.825 56.400 0.070 0.000 0.761 321 E CB 1.007 30.759 29.700 0.086 0.000 1.133 321 E HN 0.536 nan 8.360 nan 0.000 0.409 322 N N 5.151 123.868 118.700 0.030 0.000 2.521 322 N HA 0.160 4.900 4.740 0.000 0.000 0.236 322 N C -1.171 174.360 175.510 0.034 0.000 1.067 322 N CA -0.027 53.027 53.050 0.006 0.000 0.939 322 N CB 0.274 38.741 38.487 -0.035 0.000 1.201 322 N HN 0.415 nan 8.380 nan 0.000 0.511 323 M N 3.160 122.777 119.600 0.028 0.000 2.535 323 M HA 0.513 4.993 4.480 0.000 0.000 0.314 323 M C -2.441 173.867 176.300 0.013 0.000 1.153 323 M CA -2.269 53.053 55.300 0.036 0.000 0.924 323 M CB 1.790 34.406 32.600 0.027 0.000 1.710 323 M HN 0.270 nan 8.290 nan 0.000 0.451 324 P HA 0.479 nan 4.420 nan 0.000 0.288 324 P C -1.025 176.276 177.300 0.001 0.000 1.267 324 P CA -0.165 62.939 63.100 0.006 0.000 0.815 324 P CB 1.320 33.026 31.700 0.009 0.000 0.989 325 S N -0.080 115.619 115.700 -0.002 0.000 2.656 325 S HA 0.441 4.911 4.470 0.000 0.000 0.265 325 S C 1.039 175.637 174.600 -0.002 0.000 1.132 325 S CA -0.209 57.989 58.200 -0.004 0.000 0.819 325 S CB 0.285 63.480 63.200 -0.008 0.000 1.119 325 S HN 0.413 nan 8.310 nan 0.000 0.476 326 G N -0.212 108.587 108.800 -0.002 0.000 2.535 326 G HA2 0.301 4.261 3.960 0.000 0.000 0.218 326 G HA3 0.301 4.261 3.960 0.000 0.000 0.218 326 G C 0.918 175.820 174.900 0.003 0.000 1.122 326 G CA 0.651 45.751 45.100 0.001 0.000 0.769 326 G HN 1.446 nan 8.290 nan 0.000 0.549 327 G N -0.582 108.218 108.800 0.001 0.000 3.324 327 G HA2 0.501 4.462 3.960 0.000 0.000 0.251 327 G HA3 0.501 4.462 3.960 0.000 0.000 0.251 327 G C 0.599 175.498 174.900 -0.001 0.000 1.072 327 G CA 0.605 45.707 45.100 0.005 0.000 0.787 327 G HN 0.577 nan 8.290 nan 0.000 0.537 328 A N 0.520 123.337 122.820 -0.005 0.000 2.445 328 A HA 0.539 4.859 4.320 0.000 0.000 0.242 328 A C 0.863 178.446 177.584 -0.001 0.000 1.075 328 A CA 0.079 52.110 52.037 -0.010 0.000 0.777 328 A CB 0.036 19.031 19.000 -0.008 0.000 1.013 328 A HN 0.153 nan 8.150 nan 0.000 0.493 329 T N 2.086 116.639 114.554 -0.002 0.000 2.946 329 T HA 0.170 4.520 4.350 0.000 0.000 0.312 329 T C 0.538 175.243 174.700 0.007 0.000 1.066 329 T CA 0.814 62.920 62.100 0.010 0.000 1.138 329 T CB -0.061 68.814 68.868 0.011 0.000 1.014 329 T HN 0.605 nan 8.240 nan 0.000 0.544 330 R N 3.364 123.871 120.500 0.012 0.000 2.540 330 R HA 0.383 4.723 4.340 0.000 0.000 0.287 330 R C -2.537 173.770 176.300 0.011 0.000 0.980 330 R CA -2.134 53.971 56.100 0.009 0.000 0.966 330 R CB 0.793 31.097 30.300 0.007 0.000 1.106 330 R HN 0.352 nan 8.270 nan 0.000 0.480 331 P HA 0.004 nan 4.420 nan 0.000 0.265 331 P C 0.447 177.758 177.300 0.019 0.000 1.193 331 P CA 0.884 63.993 63.100 0.015 0.000 0.765 331 P CB 0.737 32.445 31.700 0.014 0.000 0.823 332 G N 1.823 110.641 108.800 0.030 0.000 2.234 332 G HA2 -0.187 3.773 3.960 0.000 0.000 0.235 332 G HA3 -0.187 3.773 3.960 0.000 0.000 0.235 332 G C 0.005 174.914 174.900 0.015 0.000 0.997 332 G CA -0.322 44.794 45.100 0.025 0.000 0.623 332 G HN 0.498 nan 8.290 nan 0.000 0.514 333 D N 0.551 120.964 120.400 0.022 0.000 2.449 333 D HA 0.451 5.091 4.640 0.000 0.000 0.236 333 D C 0.800 177.128 176.300 0.047 0.000 1.149 333 D CA 0.525 54.542 54.000 0.027 0.000 0.878 333 D CB 0.742 41.564 40.800 0.037 0.000 1.198 333 D HN 0.391 nan 8.370 nan 0.000 0.446 334 I N 1.590 122.188 120.570 0.047 0.000 2.406 334 I HA 0.254 4.424 4.170 0.000 0.000 0.290 334 I C 0.008 176.171 176.117 0.076 0.000 0.999 334 I CA -0.972 60.371 61.300 0.072 0.000 1.124 334 I CB 1.669 39.708 38.000 0.065 0.000 1.289 334 I HN 0.078 nan 8.210 nan 0.000 0.441 335 V N 1.609 121.582 119.914 0.099 0.000 3.019 335 V HA 0.663 4.784 4.120 0.000 0.000 0.317 335 V C -0.143 176.017 176.094 0.110 0.000 1.094 335 V CA -0.452 61.910 62.300 0.104 0.000 1.000 335 V CB 1.798 33.695 31.823 0.123 0.000 1.060 335 V HN 0.656 nan 8.190 nan 0.000 0.443 336 T N 2.587 117.200 114.554 0.098 0.000 2.771 336 T HA 0.564 4.914 4.350 0.000 0.000 0.281 336 T C 0.310 175.082 174.700 0.119 0.000 0.982 336 T CA 0.107 62.266 62.100 0.099 0.000 0.978 336 T CB 0.975 69.884 68.868 0.068 0.000 0.930 336 T HN 1.237 nan 8.240 nan 0.000 0.447 337 T N 1.176 115.823 114.554 0.154 0.000 2.849 337 T HA 0.332 4.682 4.350 0.000 0.000 0.284 337 T C 1.627 176.424 174.700 0.162 0.000 1.004 337 T CA -0.855 61.358 62.100 0.188 0.000 1.021 337 T CB 0.751 69.807 68.868 0.313 0.000 1.013 337 T HN 0.578 nan 8.240 nan 0.000 0.527 338 M N 1.521 121.224 119.600 0.171 0.000 2.149 338 M HA -0.129 4.351 4.480 0.000 0.000 0.261 338 M C 2.281 178.655 176.300 0.123 0.000 1.064 338 M CA 2.285 57.670 55.300 0.142 0.000 1.102 338 M CB -0.506 32.194 32.600 0.167 0.000 1.369 338 M HN 0.915 nan 8.290 nan 0.000 0.408 339 S N -0.752 115.046 115.700 0.163 0.000 2.500 339 S HA 0.013 4.483 4.470 0.000 0.000 0.239 339 S C 1.594 176.213 174.600 0.032 0.000 0.989 339 S CA 1.132 59.386 58.200 0.091 0.000 0.951 339 S CB -0.715 62.536 63.200 0.085 0.000 0.759 339 S HN 0.839 nan 8.310 nan 0.000 0.523 340 G N 0.083 108.917 108.800 0.058 0.000 2.241 340 G HA2 -0.264 3.696 3.960 0.000 0.000 0.244 340 G HA3 -0.264 3.696 3.960 0.000 0.000 0.244 340 G C -0.064 174.847 174.900 0.019 0.000 0.998 340 G CA 0.145 45.261 45.100 0.028 0.000 0.621 340 G HN 0.631 nan 8.290 nan 0.000 0.519 341 Q N 1.663 121.465 119.800 0.005 0.000 2.364 341 Q HA 0.462 4.802 4.340 0.000 0.000 0.267 341 Q C 0.712 176.760 176.000 0.080 0.000 0.999 341 Q CA 0.802 56.595 55.803 -0.017 0.000 0.886 341 Q CB 0.708 29.342 28.738 -0.173 0.000 1.243 341 Q HN 0.549 nan 8.270 nan 0.000 0.415 342 T N -1.631 112.965 114.554 0.069 0.000 2.907 342 T HA 0.625 4.975 4.350 0.000 0.000 0.284 342 T C -0.288 174.500 174.700 0.147 0.000 1.004 342 T CA -0.806 61.359 62.100 0.109 0.000 1.063 342 T CB 1.160 70.081 68.868 0.088 0.000 0.992 342 T HN 0.266 nan 8.240 nan 0.000 0.483 343 V N 2.224 122.246 119.914 0.181 0.000 2.577 343 V HA 0.410 4.530 4.120 0.000 0.000 0.303 343 V C -0.080 176.123 176.094 0.181 0.000 1.042 343 V CA -0.930 61.508 62.300 0.231 0.000 0.872 343 V CB 1.685 33.706 31.823 0.330 0.000 0.998 343 V HN 1.061 nan 8.190 nan 0.000 0.423 344 E N 4.559 124.866 120.200 0.178 0.000 2.105 344 E HA 0.350 4.700 4.350 0.000 0.000 0.285 344 E C -0.586 176.084 176.600 0.117 0.000 1.055 344 E CA -0.451 56.037 56.400 0.148 0.000 0.843 344 E CB 0.688 30.493 29.700 0.175 0.000 1.067 344 E HN 0.629 nan 8.360 nan 0.000 0.398 345 I N 7.154 127.774 120.570 0.083 0.000 2.293 345 I HA -0.022 4.148 4.170 0.000 0.000 0.299 345 I C 1.044 177.182 176.117 0.035 0.000 1.153 345 I CA 0.016 61.341 61.300 0.042 0.000 1.302 345 I CB 0.260 38.277 38.000 0.029 0.000 1.460 345 I HN 0.636 nan 8.210 nan 0.000 0.552 346 L N 4.073 125.317 121.223 0.034 0.000 2.270 346 L HA 0.050 4.390 4.340 0.000 0.000 0.210 346 L C 0.668 177.547 176.870 0.014 0.000 1.104 346 L CA 0.770 55.633 54.840 0.037 0.000 0.804 346 L CB -0.219 41.869 42.059 0.048 0.000 0.937 346 L HN 0.594 nan 8.230 nan 0.000 0.450 347 N N -1.327 117.369 118.700 -0.007 0.000 2.454 347 N HA 0.078 4.818 4.740 0.000 0.000 0.291 347 N C 0.575 176.064 175.510 -0.035 0.000 1.079 347 N CA -0.131 52.909 53.050 -0.018 0.000 0.893 347 N CB 1.422 39.897 38.487 -0.021 0.000 1.512 347 N HN -0.053 nan 8.380 nan 0.000 0.497 348 T N -0.956 113.581 114.554 -0.027 0.000 3.118 348 T HA -0.024 4.326 4.350 0.000 0.000 0.260 348 T C 0.891 175.562 174.700 -0.048 0.000 1.139 348 T CA 0.695 62.775 62.100 -0.034 0.000 1.085 348 T CB 0.025 68.880 68.868 -0.021 0.000 0.934 348 T HN 0.370 nan 8.240 nan 0.000 0.518 349 D N 1.484 121.855 120.400 -0.049 0.000 2.350 349 D HA 0.260 4.900 4.640 0.000 0.000 0.213 349 D C 1.100 177.356 176.300 -0.072 0.000 1.031 349 D CA 0.049 54.015 54.000 -0.057 0.000 0.861 349 D CB -0.192 40.582 40.800 -0.043 0.000 0.926 349 D HN 0.518 nan 8.370 nan 0.000 0.520 350 A N 1.198 123.965 122.820 -0.088 0.000 3.168 350 A HA 0.166 4.486 4.320 0.000 0.000 0.260 350 A C 1.300 178.788 177.584 -0.159 0.000 1.598 350 A CA -0.298 51.662 52.037 -0.128 0.000 1.285 350 A CB -0.267 18.639 19.000 -0.158 0.000 1.149 350 A HN 0.187 nan 8.150 nan 0.000 0.630 351 E N 0.551 120.675 120.200 -0.127 0.000 2.307 351 E HA -0.000 4.350 4.350 0.000 0.000 0.195 351 E C 1.494 178.004 176.600 -0.150 0.000 0.975 351 E CA 1.133 57.456 56.400 -0.128 0.000 0.878 351 E CB -0.903 28.741 29.700 -0.095 0.000 0.845 351 E HN 0.382 nan 8.360 nan 0.000 0.488 352 G N 2.826 111.547 108.800 -0.132 0.000 2.422 352 G HA2 -0.335 3.625 3.960 0.000 0.000 0.218 352 G HA3 -0.335 3.625 3.960 0.000 0.000 0.218 352 G C 1.855 176.670 174.900 -0.143 0.000 1.146 352 G CA 1.173 46.200 45.100 -0.122 0.000 0.769 352 G HN 0.445 nan 8.290 nan 0.000 0.547 353 R N 0.190 120.582 120.500 -0.179 0.000 2.189 353 R HA 0.182 4.522 4.340 0.000 0.000 0.218 353 R C 2.077 178.268 176.300 -0.182 0.000 1.074 353 R CA 0.781 56.766 56.100 -0.192 0.000 0.991 353 R CB -0.472 29.612 30.300 -0.360 0.000 0.883 353 R HN 0.395 nan 8.270 nan 0.000 0.457 354 L N 1.435 122.531 121.223 -0.212 0.000 2.095 354 L HA -0.053 4.287 4.340 0.000 0.000 0.204 354 L C 2.690 179.442 176.870 -0.198 0.000 1.080 354 L CA 0.753 55.503 54.840 -0.151 0.000 0.759 354 L CB -0.402 41.590 42.059 -0.112 0.000 0.914 354 L HN 0.104 nan 8.230 nan 0.000 0.439 355 V N -2.221 117.497 119.914 -0.327 0.000 2.427 355 V HA -0.206 3.914 4.120 0.000 0.000 0.248 355 V C 2.190 177.995 176.094 -0.483 0.000 1.051 355 V CA 1.368 63.250 62.300 -0.696 0.000 1.048 355 V CB -0.661 30.592 31.823 -0.950 0.000 0.666 355 V HN 0.328 nan 8.190 nan 0.000 0.456 356 L N 0.922 121.985 121.223 -0.265 0.000 2.109 356 L HA -0.109 4.231 4.340 0.000 0.000 0.207 356 L C 3.069 179.862 176.870 -0.128 0.000 1.086 356 L CA 1.599 56.360 54.840 -0.132 0.000 0.760 356 L CB -0.811 41.225 42.059 -0.037 0.000 0.910 356 L HN 0.696 nan 8.230 nan 0.000 0.437 357 C N -1.140 118.011 119.300 -0.249 0.000 2.413 357 C HA -0.163 4.297 4.460 0.000 0.000 0.276 357 C C 2.284 177.066 174.990 -0.347 0.000 1.248 357 C CA 0.615 59.277 59.018 -0.594 0.000 1.742 357 C CB -0.864 26.035 27.740 -1.401 0.000 2.017 357 C HN 0.479 nan 8.230 nan 0.000 0.481 358 D N 0.776 121.092 120.400 -0.140 0.000 2.144 358 D HA -0.049 4.591 4.640 0.000 0.000 0.200 358 D C 2.411 178.825 176.300 0.190 0.000 0.978 358 D CA 1.979 56.031 54.000 0.086 0.000 0.833 358 D CB -0.440 40.490 40.800 0.217 0.000 0.961 358 D HN 0.595 nan 8.370 nan 0.000 0.470 359 T N 0.964 115.613 114.554 0.158 0.000 2.821 359 T HA -0.028 4.323 4.350 0.000 0.000 0.267 359 T C 2.232 177.087 174.700 0.260 0.000 1.046 359 T CA 0.376 62.606 62.100 0.216 0.000 1.139 359 T CB -0.096 68.848 68.868 0.126 0.000 0.871 359 T HN 0.116 nan 8.240 nan 0.000 0.454 360 L N 0.851 122.192 121.223 0.196 0.000 2.083 360 L HA -0.121 4.219 4.340 0.000 0.000 0.209 360 L C 2.896 179.962 176.870 0.327 0.000 1.083 360 L CA 1.159 56.160 54.840 0.269 0.000 0.752 360 L CB -1.063 41.102 42.059 0.178 0.000 0.899 360 L HN 0.268 nan 8.230 nan 0.000 0.433 361 T N -1.446 113.267 114.554 0.265 0.000 2.746 361 T HA -0.266 4.084 4.350 0.000 0.000 0.267 361 T C 1.716 176.564 174.700 0.247 0.000 1.039 361 T CA 1.434 63.678 62.100 0.240 0.000 1.142 361 T CB -0.418 68.585 68.868 0.225 0.000 0.866 361 T HN 0.302 nan 8.240 nan 0.000 0.444 362 Y N 1.993 122.391 120.300 0.164 0.000 2.274 362 Y HA -0.050 4.500 4.550 0.000 0.000 0.290 362 Y C 2.476 178.478 175.900 0.170 0.000 1.145 362 Y CA 0.757 58.941 58.100 0.141 0.000 1.203 362 Y CB -0.537 38.023 38.460 0.167 0.000 0.984 362 Y HN 0.200 nan 8.280 nan 0.000 0.533 363 A N 0.043 123.099 122.820 0.392 0.000 2.024 363 A HA -0.222 4.098 4.320 0.000 0.000 0.220 363 A C 2.026 179.762 177.584 0.252 0.000 1.164 363 A CA 1.743 54.013 52.037 0.389 0.000 0.643 363 A CB -0.681 18.454 19.000 0.225 0.000 0.806 363 A HN 0.646 nan 8.150 nan 0.000 0.451 364 E N -0.238 120.096 120.200 0.224 0.000 2.097 364 E HA -0.267 4.083 4.350 0.000 0.000 0.196 364 E C 2.180 178.755 176.600 -0.042 0.000 1.000 364 E CA 1.517 58.023 56.400 0.176 0.000 0.804 364 E CB -0.234 29.541 29.700 0.124 0.000 0.740 364 E HN 0.817 nan 8.360 nan 0.000 0.454 365 R N 0.259 120.575 120.500 -0.307 0.000 2.241 365 R HA -0.128 4.212 4.340 0.000 0.000 0.224 365 R C 1.147 177.134 176.300 -0.522 0.000 1.101 365 R CA 1.192 56.994 56.100 -0.497 0.000 0.995 365 R CB -0.365 29.465 30.300 -0.783 0.000 0.870 365 R HN 0.149 nan 8.270 nan 0.000 0.463 366 F N 1.259 121.179 119.950 -0.050 0.000 2.765 366 F HA 0.305 4.832 4.527 0.000 0.000 0.302 366 F C 0.253 176.035 175.800 -0.030 0.000 1.111 366 F CA -0.326 57.653 58.000 -0.035 0.000 1.359 366 F CB 0.076 39.062 39.000 -0.024 0.000 1.097 366 F HN -0.131 nan 8.300 nan 0.000 0.577 367 K N 0.112 120.571 120.400 0.098 0.000 3.278 367 K HA -0.185 4.135 4.320 0.000 0.000 0.270 367 K C -2.600 174.037 176.600 0.062 0.000 0.955 367 K CA -0.099 56.234 56.287 0.077 0.000 0.723 367 K CB -1.620 30.903 32.500 0.039 0.000 1.382 367 K HN 0.202 nan 8.250 nan 0.000 0.461 368 P HA -0.106 nan 4.420 nan 0.000 0.272 368 P C 0.346 177.624 177.300 -0.037 0.000 1.230 368 P CA 0.063 63.143 63.100 -0.032 0.000 0.788 368 P CB 0.618 32.256 31.700 -0.103 0.000 0.949 369 Q N 0.814 120.531 119.800 -0.137 0.000 2.398 369 Q HA 0.365 4.705 4.340 0.000 0.000 0.204 369 Q C 0.059 176.080 176.000 0.035 0.000 0.932 369 Q CA 0.101 55.846 55.803 -0.096 0.000 0.916 369 Q CB 0.276 28.872 28.738 -0.237 0.000 1.024 369 Q HN 0.440 nan 8.270 nan 0.000 0.504 370 A N 0.223 123.078 122.820 0.059 0.000 2.577 370 A HA 0.600 4.920 4.320 0.000 0.000 0.297 370 A C -1.563 176.086 177.584 0.109 0.000 1.060 370 A CA -0.631 51.521 52.037 0.192 0.000 0.697 370 A CB 2.143 21.383 19.000 0.399 0.000 1.281 370 A HN 0.049 nan 8.150 nan 0.000 0.402 371 V N 2.580 122.546 119.914 0.088 0.000 2.525 371 V HA 0.518 4.638 4.120 0.000 0.000 0.299 371 V C -0.839 175.333 176.094 0.130 0.000 1.034 371 V CA -0.122 62.205 62.300 0.046 0.000 0.863 371 V CB 1.447 33.156 31.823 -0.190 0.000 0.999 371 V HN 0.707 nan 8.190 nan 0.000 0.423 372 I N 4.936 125.535 120.570 0.048 0.000 2.410 372 I HA 0.459 4.629 4.170 0.000 0.000 0.286 372 I C -0.853 175.284 176.117 0.033 0.000 1.009 372 I CA -0.596 60.666 61.300 -0.063 0.000 1.111 372 I CB 1.991 39.886 38.000 -0.174 0.000 1.262 372 I HN 0.666 nan 8.210 nan 0.000 0.443 373 D N 7.094 127.552 120.400 0.096 0.000 2.193 373 D HA 0.625 5.265 4.640 0.000 0.000 0.249 373 D C -0.671 175.682 176.300 0.088 0.000 1.034 373 D CA -0.396 53.707 54.000 0.171 0.000 0.902 373 D CB 2.048 43.059 40.800 0.351 0.000 1.182 373 D HN 0.224 nan 8.370 nan 0.000 0.436 374 I N 0.607 121.216 120.570 0.064 0.000 2.478 374 I HA 0.656 4.826 4.170 0.000 0.000 0.287 374 I C -0.492 175.649 176.117 0.040 0.000 1.042 374 I CA -0.556 60.748 61.300 0.008 0.000 1.067 374 I CB 1.905 39.890 38.000 -0.025 0.000 1.233 374 I HN 0.693 nan 8.210 nan 0.000 0.431 375 A N 2.699 125.540 122.820 0.036 0.000 2.574 375 A HA 0.740 5.060 4.320 0.000 0.000 0.297 375 A C -0.307 177.309 177.584 0.054 0.000 1.062 375 A CA -0.669 51.410 52.037 0.069 0.000 0.686 375 A CB 1.344 20.427 19.000 0.138 0.000 1.285 375 A HN 0.660 nan 8.150 nan 0.000 0.403 376 T N 1.102 115.703 114.554 0.079 0.000 3.766 376 T HA 0.357 4.707 4.350 0.000 0.000 0.327 376 T C 0.608 175.359 174.700 0.085 0.000 1.595 376 T CA -0.129 62.036 62.100 0.110 0.000 1.204 376 T CB -0.183 68.829 68.868 0.240 0.000 1.245 376 T HN 0.460 nan 8.240 nan 0.000 0.875 377 L N 2.593 123.856 121.223 0.067 0.000 2.221 377 L HA 0.323 4.663 4.340 0.000 0.000 0.202 377 L C 1.117 178.009 176.870 0.037 0.000 1.074 377 L CA 1.222 56.103 54.840 0.069 0.000 0.795 377 L CB 0.072 42.224 42.059 0.155 0.000 0.960 377 L HN 0.841 nan 8.230 nan 0.000 0.458 378 T N -5.065 109.505 114.554 0.026 0.000 2.952 378 T HA 0.506 4.856 4.350 0.000 0.000 0.305 378 T C 0.841 175.534 174.700 -0.011 0.000 1.064 378 T CA -0.316 61.788 62.100 0.007 0.000 1.008 378 T CB 1.331 70.206 68.868 0.011 0.000 1.078 378 T HN 0.080 nan 8.240 nan 0.000 0.459 379 G N 1.059 109.853 108.800 -0.010 0.000 2.432 379 G HA2 0.045 4.005 3.960 0.000 0.000 0.219 379 G HA3 0.045 4.005 3.960 0.000 0.000 0.219 379 G C 1.687 176.566 174.900 -0.035 0.000 1.135 379 G CA 0.746 45.832 45.100 -0.023 0.000 0.767 379 G HN 1.203 nan 8.290 nan 0.000 0.550 380 A N 0.040 122.846 122.820 -0.023 0.000 1.958 380 A HA -0.235 4.085 4.320 0.000 0.000 0.221 380 A C 2.576 180.139 177.584 -0.036 0.000 1.178 380 A CA 1.979 54.002 52.037 -0.023 0.000 0.642 380 A CB -1.242 17.751 19.000 -0.012 0.000 0.816 380 A HN 0.527 nan 8.150 nan 0.000 0.453 381 C N -0.725 118.550 119.300 -0.042 0.000 2.435 381 C HA 0.011 4.471 4.460 0.000 0.000 0.279 381 C C 2.548 177.486 174.990 -0.086 0.000 1.321 381 C CA 0.888 59.871 59.018 -0.058 0.000 1.752 381 C CB -1.468 26.236 27.740 -0.060 0.000 1.959 381 C HN 0.596 nan 8.230 nan 0.000 0.500 382 I N 0.413 120.921 120.570 -0.102 0.000 2.353 382 I HA -0.112 4.058 4.170 0.000 0.000 0.248 382 I C 2.377 178.433 176.117 -0.102 0.000 1.119 382 I CA 1.193 62.413 61.300 -0.132 0.000 1.417 382 I CB -0.496 37.408 38.000 -0.161 0.000 1.078 382 I HN 0.120 nan 8.210 nan 0.000 0.421 383 V N 1.152 121.022 119.914 -0.073 0.000 2.490 383 V HA -0.243 3.877 4.120 0.000 0.000 0.250 383 V C 2.669 178.730 176.094 -0.056 0.000 1.061 383 V CA 1.946 64.212 62.300 -0.057 0.000 1.064 383 V CB -1.008 30.792 31.823 -0.038 0.000 0.670 383 V HN 0.496 nan 8.190 nan 0.000 0.461 384 A N -0.913 121.873 122.820 -0.057 0.000 1.898 384 A HA 0.120 4.440 4.320 0.000 0.000 0.214 384 A C 1.943 179.481 177.584 -0.076 0.000 1.183 384 A CA 1.319 53.325 52.037 -0.053 0.000 0.622 384 A CB -0.095 18.882 19.000 -0.038 0.000 0.824 384 A HN 0.498 nan 8.150 nan 0.000 0.444 385 L N -2.179 118.992 121.223 -0.087 0.000 3.217 385 L HA 0.377 4.717 4.340 0.000 0.000 0.288 385 L C 1.126 177.930 176.870 -0.110 0.000 1.202 385 L CA 0.119 54.897 54.840 -0.103 0.000 1.027 385 L CB 0.466 42.477 42.059 -0.080 0.000 1.427 385 L HN 0.614 nan 8.230 nan 0.000 0.600 386 G N 0.603 109.328 108.800 -0.124 0.000 2.601 386 G HA2 -0.319 3.641 3.960 0.000 0.000 0.252 386 G HA3 -0.319 3.641 3.960 0.000 0.000 0.252 386 G C 0.586 175.340 174.900 -0.242 0.000 1.294 386 G CA 0.159 45.160 45.100 -0.165 0.000 0.912 386 G HN 0.117 nan 8.290 nan 0.000 0.574 387 S N -0.096 115.374 115.700 -0.382 0.000 2.501 387 S HA 0.081 4.551 4.470 0.000 0.000 0.220 387 S C 1.554 175.901 174.600 -0.421 0.000 0.997 387 S CA 1.233 59.146 58.200 -0.478 0.000 0.919 387 S CB -0.122 62.693 63.200 -0.640 0.000 0.778 387 S HN 0.599 nan 8.310 nan 0.000 0.523 388 H N 1.035 120.029 119.070 -0.126 0.000 2.547 388 H HA 0.245 4.801 4.556 0.000 0.000 0.272 388 H C 0.013 175.288 175.328 -0.088 0.000 0.971 388 H CA 0.747 56.733 56.048 -0.103 0.000 1.245 388 H CB 0.371 30.075 29.762 -0.097 0.000 1.440 388 H HN 0.223 nan 8.280 nan 0.000 0.540 389 T N 1.102 115.657 114.554 0.002 0.000 3.011 389 T HA 0.205 4.555 4.350 0.000 0.000 0.303 389 T C -0.049 174.632 174.700 -0.031 0.000 0.997 389 T CA -0.618 61.483 62.100 0.002 0.000 1.007 389 T CB 2.547 71.421 68.868 0.010 0.000 1.017 389 T HN -0.081 nan 8.240 nan 0.000 0.443 390 T N 2.784 117.319 114.554 -0.031 0.000 2.901 390 T HA 0.428 4.779 4.350 0.000 0.000 0.301 390 T C 1.056 175.727 174.700 -0.048 0.000 1.012 390 T CA -0.314 61.747 62.100 -0.066 0.000 1.135 390 T CB 0.602 69.421 68.868 -0.082 0.000 0.936 390 T HN 0.748 nan 8.240 nan 0.000 0.539 391 G N 2.052 110.801 108.800 -0.086 0.000 2.378 391 G HA2 0.477 4.437 3.960 0.000 0.000 0.255 391 G HA3 0.477 4.437 3.960 0.000 0.000 0.255 391 G C -0.909 173.893 174.900 -0.163 0.000 1.270 391 G CA -0.301 44.749 45.100 -0.083 0.000 0.876 391 G HN 0.608 nan 8.290 nan 0.000 0.521 392 L N 2.268 123.410 121.223 -0.134 0.000 2.408 392 L HA 0.864 5.204 4.340 0.000 0.000 0.268 392 L C -0.430 176.332 176.870 -0.179 0.000 0.986 392 L CA -0.677 54.042 54.840 -0.202 0.000 0.820 392 L CB 2.053 44.005 42.059 -0.179 0.000 1.303 392 L HN 0.605 nan 8.230 nan 0.000 0.411 393 M N 2.907 122.382 119.600 -0.207 0.000 2.664 393 M HA 0.916 5.396 4.480 0.000 0.000 0.279 393 M C -0.298 175.819 176.300 -0.305 0.000 1.275 393 M CA -0.323 54.880 55.300 -0.161 0.000 0.829 393 M CB 2.624 35.214 32.600 -0.017 0.000 1.727 393 M HN 0.744 nan 8.290 nan 0.000 0.459 394 G N 0.316 108.983 108.800 -0.222 0.000 2.441 394 G HA2 0.322 4.282 3.960 0.000 0.000 0.294 394 G HA3 0.322 4.282 3.960 0.000 0.000 0.294 394 G C -1.369 173.593 174.900 0.104 0.000 1.393 394 G CA -0.581 44.345 45.100 -0.290 0.000 0.796 394 G HN 0.786 nan 8.290 nan 0.000 0.494 395 N N -0.895 117.975 118.700 0.284 0.000 2.187 395 N HA 0.191 4.932 4.740 0.000 0.000 0.212 395 N C -0.109 175.505 175.510 0.173 0.000 1.152 395 N CA -0.367 52.853 53.050 0.284 0.000 0.872 395 N CB 0.736 39.444 38.487 0.369 0.000 1.025 395 N HN 0.353 nan 8.380 nan 0.000 0.514 396 N N 0.026 118.802 118.700 0.126 0.000 2.500 396 N HA 0.217 4.957 4.740 0.000 0.000 0.291 396 N C -0.508 175.031 175.510 0.048 0.000 1.092 396 N CA -0.343 52.762 53.050 0.093 0.000 0.890 396 N CB 1.680 40.236 38.487 0.116 0.000 1.466 396 N HN -0.166 nan 8.380 nan 0.000 0.507 397 D N 1.436 121.860 120.400 0.041 0.000 2.178 397 D HA -0.118 4.522 4.640 0.000 0.000 0.201 397 D C 0.375 176.682 176.300 0.012 0.000 0.980 397 D CA 1.143 55.152 54.000 0.015 0.000 0.842 397 D CB 0.406 41.218 40.800 0.018 0.000 0.948 397 D HN 0.611 nan 8.370 nan 0.000 0.472 398 D N 0.391 120.812 120.400 0.035 0.000 2.097 398 D HA -0.117 4.523 4.640 0.000 0.000 0.197 398 D C 2.160 178.495 176.300 0.058 0.000 0.984 398 D CA 0.214 54.242 54.000 0.046 0.000 0.826 398 D CB -0.416 40.420 40.800 0.060 0.000 0.973 398 D HN 0.118 nan 8.370 nan 0.000 0.460 399 L N 1.089 122.353 121.223 0.068 0.000 1.956 399 L HA -0.204 4.136 4.340 0.000 0.000 0.216 399 L C 2.362 179.220 176.870 -0.020 0.000 1.073 399 L CA 1.547 56.422 54.840 0.058 0.000 0.762 399 L CB -0.905 41.183 42.059 0.049 0.000 0.889 399 L HN -0.088 nan 8.230 nan 0.000 0.433 400 V N 0.371 120.250 119.914 -0.059 0.000 2.250 400 V HA -0.351 3.770 4.120 0.000 0.000 0.250 400 V C 2.626 178.670 176.094 -0.083 0.000 1.060 400 V CA 2.148 64.385 62.300 -0.104 0.000 1.030 400 V CB -1.878 29.878 31.823 -0.111 0.000 0.643 400 V HN 0.688 nan 8.190 nan 0.000 0.445 401 G N -1.446 107.325 108.800 -0.050 0.000 2.440 401 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 401 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 401 G C 1.486 176.382 174.900 -0.007 0.000 1.154 401 G CA 0.972 46.048 45.100 -0.039 0.000 0.767 401 G HN 0.588 nan 8.290 nan 0.000 0.552 402 Q N -0.273 119.549 119.800 0.036 0.000 2.084 402 Q HA 0.015 4.355 4.340 0.000 0.000 0.202 402 Q C 2.676 178.740 176.000 0.106 0.000 0.978 402 Q CA 1.000 56.865 55.803 0.104 0.000 0.844 402 Q CB -0.271 28.597 28.738 0.216 0.000 0.898 402 Q HN 0.457 nan 8.270 nan 0.000 0.426 403 L N 0.249 121.474 121.223 0.005 0.000 2.083 403 L HA -0.201 4.139 4.340 0.000 0.000 0.209 403 L C 2.294 179.140 176.870 -0.041 0.000 1.083 403 L CA 0.823 55.622 54.840 -0.069 0.000 0.752 403 L CB -0.398 41.536 42.059 -0.208 0.000 0.899 403 L HN 0.235 nan 8.230 nan 0.000 0.433 404 L N -0.348 120.843 121.223 -0.053 0.000 1.994 404 L HA -0.267 4.073 4.340 0.000 0.000 0.208 404 L C 2.271 179.133 176.870 -0.014 0.000 1.071 404 L CA 1.605 56.413 54.840 -0.052 0.000 0.745 404 L CB -0.505 41.495 42.059 -0.099 0.000 0.892 404 L HN 0.257 nan 8.230 nan 0.000 0.431 405 D N -0.347 120.051 120.400 -0.002 0.000 2.104 405 D HA -0.210 4.430 4.640 0.000 0.000 0.194 405 D C 2.147 178.467 176.300 0.033 0.000 0.994 405 D CA 1.448 55.458 54.000 0.017 0.000 0.830 405 D CB 0.052 40.864 40.800 0.020 0.000 0.959 405 D HN 0.300 nan 8.370 nan 0.000 0.452 406 A N 0.057 122.906 122.820 0.048 0.000 1.892 406 A HA -0.114 4.206 4.320 0.000 0.000 0.218 406 A C 2.413 180.022 177.584 0.041 0.000 1.188 406 A CA 2.353 54.425 52.037 0.059 0.000 0.631 406 A CB -1.482 17.582 19.000 0.108 0.000 0.822 406 A HN 0.380 nan 8.150 nan 0.000 0.447 407 G N -0.678 108.137 108.800 0.025 0.000 2.422 407 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 407 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 407 G C 1.679 176.598 174.900 0.031 0.000 1.146 407 G CA 1.192 46.303 45.100 0.020 0.000 0.769 407 G HN 0.608 nan 8.290 nan 0.000 0.547 408 K N -0.008 120.413 120.400 0.035 0.000 2.025 408 K HA 0.023 4.343 4.320 0.000 0.000 0.207 408 K C 2.699 179.324 176.600 0.042 0.000 1.049 408 K CA 0.855 57.167 56.287 0.041 0.000 0.933 408 K CB -0.166 32.357 32.500 0.039 0.000 0.714 408 K HN 0.112 nan 8.250 nan 0.000 0.438 409 R N 0.280 120.809 120.500 0.048 0.000 2.120 409 R HA -0.049 4.291 4.340 0.000 0.000 0.234 409 R C 2.109 178.446 176.300 0.062 0.000 1.123 409 R CA 1.172 57.310 56.100 0.063 0.000 0.975 409 R CB -0.168 30.180 30.300 0.081 0.000 0.866 409 R HN 0.180 nan 8.270 nan 0.000 0.446 410 A N 0.849 123.700 122.820 0.051 0.000 2.169 410 A HA -0.066 4.254 4.320 0.000 0.000 0.212 410 A C 0.337 177.940 177.584 0.032 0.000 1.153 410 A CA 0.457 52.519 52.037 0.041 0.000 0.756 410 A CB 0.081 19.101 19.000 0.034 0.000 0.813 410 A HN 0.365 nan 8.150 nan 0.000 0.471 411 D N -0.623 119.798 120.400 0.034 0.000 2.697 411 D HA -0.173 4.467 4.640 0.000 0.000 0.238 411 D C -0.564 175.748 176.300 0.020 0.000 1.152 411 D CA 1.255 55.272 54.000 0.029 0.000 0.666 411 D CB -1.242 39.579 40.800 0.034 0.000 1.037 411 D HN 0.421 nan 8.370 nan 0.000 0.423 412 D N 0.411 120.822 120.400 0.018 0.000 2.735 412 D HA 0.212 4.852 4.640 0.000 0.000 0.291 412 D C -0.189 176.116 176.300 0.009 0.000 1.205 412 D CA -0.446 53.558 54.000 0.007 0.000 0.777 412 D CB 0.130 40.930 40.800 -0.001 0.000 1.234 412 D HN 0.249 nan 8.370 nan 0.000 0.520 413 R N 0.515 121.029 120.500 0.023 0.000 2.641 413 R HA 0.696 5.036 4.340 0.000 0.000 0.269 413 R C 0.108 176.435 176.300 0.044 0.000 1.074 413 R CA -0.209 55.917 56.100 0.045 0.000 1.133 413 R CB 1.295 31.638 30.300 0.072 0.000 1.029 413 R HN 0.294 nan 8.270 nan 0.000 0.488 414 A N 2.143 124.999 122.820 0.060 0.000 2.389 414 A HA 0.646 4.966 4.320 0.000 0.000 0.293 414 A C -1.741 175.960 177.584 0.194 0.000 1.186 414 A CA -0.598 51.477 52.037 0.064 0.000 0.828 414 A CB 1.607 20.593 19.000 -0.023 0.000 1.369 414 A HN 0.747 nan 8.150 nan 0.000 0.446 415 W N 0.820 122.072 121.300 -0.081 0.000 3.259 415 W HA 0.333 4.993 4.660 0.000 0.000 0.331 415 W C -1.062 175.404 176.519 -0.087 0.000 1.144 415 W CA -0.206 57.096 57.345 -0.071 0.000 1.227 415 W CB 1.503 30.928 29.460 -0.059 0.000 1.371 415 W HN 0.925 nan 8.180 nan 0.000 0.491 416 Q N 4.107 123.660 119.800 -0.412 0.000 2.332 416 Q HA 0.373 4.713 4.340 0.000 0.000 0.263 416 Q C -1.040 174.859 176.000 -0.169 0.000 0.979 416 Q CA 0.297 55.928 55.803 -0.288 0.000 0.885 416 Q CB 0.937 29.472 28.738 -0.339 0.000 1.218 416 Q HN 0.540 nan 8.270 nan 0.000 0.405 417 L N 5.741 126.900 121.223 -0.106 0.000 2.342 417 L HA 0.603 4.944 4.340 0.000 0.000 0.271 417 L C -2.192 174.558 176.870 -0.201 0.000 1.008 417 L CA -2.449 52.329 54.840 -0.103 0.000 0.818 417 L CB 1.806 43.821 42.059 -0.073 0.000 1.296 417 L HN 0.664 nan 8.230 nan 0.000 0.427 418 P HA 0.194 nan 4.420 nan 0.000 0.278 418 P C -0.685 176.348 177.300 -0.444 0.000 1.238 418 P CA -0.257 62.511 63.100 -0.554 0.000 0.794 418 P CB 0.918 31.908 31.700 -1.184 0.000 0.955 419 L N 2.698 123.770 121.223 -0.252 0.000 2.956 419 L HA 0.304 4.644 4.340 0.000 0.000 0.232 419 L C -0.096 176.884 176.870 0.182 0.000 1.291 419 L CA -0.691 54.133 54.840 -0.028 0.000 1.122 419 L CB -0.590 41.522 42.059 0.088 0.000 1.461 419 L HN 0.212 nan 8.230 nan 0.000 0.470 420 F N 0.076 120.221 119.950 0.325 0.000 2.506 420 F HA -0.021 4.506 4.527 0.000 0.000 0.351 420 F C 1.646 177.593 175.800 0.246 0.000 1.136 420 F CA -0.390 57.775 58.000 0.275 0.000 1.298 420 F CB 0.313 39.456 39.000 0.239 0.000 1.145 420 F HN 0.190 nan 8.300 nan 0.000 0.593 421 D N 1.128 121.721 120.400 0.322 0.000 2.149 421 D HA -0.177 4.463 4.640 0.000 0.000 0.198 421 D C 1.694 178.064 176.300 0.116 0.000 0.990 421 D CA 1.413 55.519 54.000 0.177 0.000 0.839 421 D CB 0.161 41.019 40.800 0.097 0.000 0.948 421 D HN 0.570 nan 8.370 nan 0.000 0.460 422 E N -0.845 119.381 120.200 0.043 0.000 2.208 422 E HA -0.230 4.121 4.350 0.000 0.000 0.202 422 E C 1.719 178.252 176.600 -0.111 0.000 1.014 422 E CA 1.140 57.484 56.400 -0.092 0.000 0.819 422 E CB -0.453 29.105 29.700 -0.237 0.000 0.735 422 E HN 0.609 nan 8.360 nan 0.000 0.469 423 Y N 0.229 120.597 120.300 0.114 0.000 2.457 423 Y HA -0.067 4.483 4.550 0.000 0.000 0.292 423 Y C 2.192 178.138 175.900 0.077 0.000 1.125 423 Y CA 0.555 58.711 58.100 0.093 0.000 1.254 423 Y CB 0.129 38.646 38.460 0.095 0.000 1.012 423 Y HN 0.017 nan 8.280 nan 0.000 0.555 424 Q N 0.476 120.391 119.800 0.193 0.000 2.224 424 Q HA -0.219 4.121 4.340 0.000 0.000 0.203 424 Q C 1.879 177.932 176.000 0.089 0.000 0.970 424 Q CA 1.152 57.031 55.803 0.128 0.000 0.865 424 Q CB -0.193 28.593 28.738 0.081 0.000 0.922 424 Q HN 0.640 nan 8.270 nan 0.000 0.445 425 E N 1.041 121.282 120.200 0.069 0.000 2.268 425 E HA -0.181 4.169 4.350 0.000 0.000 0.195 425 E C 1.611 178.245 176.600 0.057 0.000 0.995 425 E CA 0.491 56.917 56.400 0.043 0.000 0.836 425 E CB 0.183 29.895 29.700 0.020 0.000 0.763 425 E HN 0.402 nan 8.360 nan 0.000 0.491 426 Q N -0.195 119.657 119.800 0.087 0.000 2.291 426 Q HA -0.119 4.222 4.340 0.000 0.000 0.206 426 Q C 1.909 177.967 176.000 0.097 0.000 0.976 426 Q CA 0.873 56.733 55.803 0.094 0.000 0.875 426 Q CB 0.084 28.900 28.738 0.129 0.000 0.927 426 Q HN 0.392 nan 8.270 nan 0.000 0.450 427 L N 0.206 121.495 121.223 0.111 0.000 2.529 427 L HA 0.071 4.411 4.340 0.000 0.000 0.223 427 L C 0.038 176.966 176.870 0.096 0.000 1.113 427 L CA -0.430 54.489 54.840 0.132 0.000 0.861 427 L CB 0.029 42.201 42.059 0.188 0.000 1.012 427 L HN 0.023 nan 8.230 nan 0.000 0.461 428 D N 1.266 121.701 120.400 0.058 0.000 2.629 428 D HA -0.040 4.601 4.640 0.000 0.000 0.228 428 D C 0.264 176.577 176.300 0.022 0.000 1.127 428 D CA 0.713 54.729 54.000 0.026 0.000 0.855 428 D CB 0.828 41.630 40.800 0.003 0.000 1.180 428 D HN -0.052 nan 8.370 nan 0.000 0.484 429 S N 1.494 117.198 115.700 0.007 0.000 2.513 429 S HA 0.471 4.941 4.470 0.000 0.000 0.299 429 S C -1.924 172.602 174.600 -0.123 0.000 1.087 429 S CA -1.405 56.786 58.200 -0.015 0.000 1.012 429 S CB 1.688 64.930 63.200 0.070 0.000 1.044 429 S HN 0.185 nan 8.310 nan 0.000 0.485 430 P HA 0.151 nan 4.420 nan 0.000 0.241 430 P C 0.289 177.244 177.300 -0.576 0.000 1.191 430 P CA 0.605 63.404 63.100 -0.502 0.000 0.771 430 P CB 0.005 31.262 31.700 -0.738 0.000 0.929 431 F N 0.084 120.050 119.950 0.026 0.000 2.532 431 F HA 0.410 4.938 4.527 0.000 0.000 0.278 431 F C 1.730 177.546 175.800 0.028 0.000 0.975 431 F CA -0.181 57.834 58.000 0.025 0.000 1.292 431 F CB -1.135 37.882 39.000 0.028 0.000 1.112 431 F HN -0.171 nan 8.300 nan 0.000 0.703 432 A N 0.252 123.210 122.820 0.231 0.000 2.239 432 A HA 0.329 4.649 4.320 0.000 0.000 0.303 432 A C 0.791 178.427 177.584 0.087 0.000 1.114 432 A CA -0.184 51.942 52.037 0.148 0.000 0.871 432 A CB -0.079 19.016 19.000 0.159 0.000 1.201 432 A HN 0.194 nan 8.150 nan 0.000 0.506 433 D N -0.500 119.939 120.400 0.065 0.000 2.219 433 D HA 0.012 4.652 4.640 0.000 0.000 0.205 433 D C 0.635 176.951 176.300 0.026 0.000 0.970 433 D CA 1.958 55.971 54.000 0.021 0.000 0.851 433 D CB -0.126 40.666 40.800 -0.014 0.000 0.943 433 D HN 0.601 nan 8.370 nan 0.000 0.488 434 M N -2.301 117.346 119.600 0.078 0.000 2.562 434 M HA 0.527 5.007 4.480 0.000 0.000 0.281 434 M C -0.665 175.752 176.300 0.194 0.000 1.195 434 M CA -0.887 54.483 55.300 0.116 0.000 0.888 434 M CB 1.893 34.549 32.600 0.094 0.000 1.731 434 M HN -0.163 nan 8.290 nan 0.000 0.493 435 G N 1.105 110.021 108.800 0.193 0.000 2.528 435 G HA2 0.360 4.320 3.960 0.000 0.000 0.289 435 G HA3 0.360 4.320 3.960 0.000 0.000 0.289 435 G C 0.297 175.356 174.900 0.264 0.000 1.192 435 G CA -0.273 44.945 45.100 0.196 0.000 0.921 435 G HN 0.961 nan 8.290 nan 0.000 0.512 436 N N -0.957 117.810 118.700 0.112 0.000 2.336 436 N HA 0.027 4.767 4.740 0.000 0.000 0.189 436 N C 0.466 175.869 175.510 -0.180 0.000 1.113 436 N CA 0.178 53.136 53.050 -0.153 0.000 0.858 436 N CB -0.116 38.191 38.487 -0.300 0.000 0.970 436 N HN 0.608 nan 8.380 nan 0.000 0.471 437 I N -5.893 114.663 120.570 -0.022 0.000 2.934 437 I HA 0.728 4.898 4.170 0.000 0.000 0.306 437 I C 0.439 176.589 176.117 0.054 0.000 1.110 437 I CA -1.370 59.928 61.300 -0.004 0.000 1.019 437 I CB 2.256 40.247 38.000 -0.015 0.000 1.227 437 I HN -0.215 nan 8.210 nan 0.000 0.434 438 G N 1.407 110.243 108.800 0.060 0.000 3.735 438 G HA2 0.625 4.585 3.960 0.000 0.000 0.283 438 G HA3 0.625 4.585 3.960 0.000 0.000 0.283 438 G C 0.414 175.353 174.900 0.064 0.000 1.007 438 G CA -0.059 45.088 45.100 0.078 0.000 0.821 438 G HN 1.490 nan 8.290 nan 0.000 0.505 439 G N 0.879 109.706 108.800 0.046 0.000 2.627 439 G HA2 -0.084 3.876 3.960 0.000 0.000 0.214 439 G HA3 -0.084 3.876 3.960 0.000 0.000 0.214 439 G C -1.179 173.743 174.900 0.037 0.000 1.331 439 G CA -0.117 45.007 45.100 0.039 0.000 0.891 439 G HN 0.133 nan 8.290 nan 0.000 0.539 440 P HA 0.104 nan 4.420 nan 0.000 0.230 440 P C 0.501 177.824 177.300 0.037 0.000 1.158 440 P CA 0.984 64.101 63.100 0.029 0.000 0.769 440 P CB 0.099 31.814 31.700 0.025 0.000 0.807 441 K N 0.124 120.556 120.400 0.054 0.000 2.159 441 K HA 0.559 4.879 4.320 0.000 0.000 0.266 441 K C 0.262 176.913 176.600 0.085 0.000 0.975 441 K CA -0.167 56.164 56.287 0.074 0.000 0.865 441 K CB 0.981 33.537 32.500 0.094 0.000 1.087 441 K HN -0.077 nan 8.250 nan 0.000 0.446 442 A N 2.154 125.015 122.820 0.068 0.000 2.846 442 A HA -0.174 4.146 4.320 0.000 0.000 0.287 442 A C 1.209 178.783 177.584 -0.016 0.000 1.469 442 A CA 0.901 52.950 52.037 0.021 0.000 0.757 442 A CB -2.244 16.804 19.000 0.081 0.000 1.033 442 A HN 1.064 nan 8.150 nan 0.000 0.516 443 G N -1.239 107.562 108.800 0.001 0.000 2.422 443 G HA2 0.008 3.969 3.960 0.000 0.000 0.218 443 G HA3 0.008 3.969 3.960 0.000 0.000 0.218 443 G C 1.317 176.217 174.900 0.001 0.000 1.140 443 G CA 1.938 47.041 45.100 0.006 0.000 0.775 443 G HN 0.786 nan 8.290 nan 0.000 0.545 444 T N 1.190 115.738 114.554 -0.010 0.000 2.851 444 T HA 0.043 4.394 4.350 0.000 0.000 0.262 444 T C 2.390 177.098 174.700 0.014 0.000 1.043 444 T CA 0.599 62.706 62.100 0.012 0.000 1.140 444 T CB -0.084 68.781 68.868 -0.006 0.000 0.872 444 T HN 0.220 nan 8.240 nan 0.000 0.446 445 I N 2.078 122.604 120.570 -0.074 0.000 2.208 445 I HA -0.206 3.964 4.170 0.000 0.000 0.245 445 I C 2.953 179.030 176.117 -0.066 0.000 1.097 445 I CA 1.644 62.850 61.300 -0.157 0.000 1.363 445 I CB -0.660 37.052 38.000 -0.480 0.000 1.051 445 I HN 0.416 nan 8.210 nan 0.000 0.413 446 T N -1.114 113.430 114.554 -0.017 0.000 2.904 446 T HA 0.007 4.357 4.350 0.000 0.000 0.267 446 T C 1.991 176.767 174.700 0.126 0.000 1.059 446 T CA 0.773 62.918 62.100 0.075 0.000 1.137 446 T CB -0.380 68.549 68.868 0.102 0.000 0.879 446 T HN 0.320 nan 8.240 nan 0.000 0.467 447 A N 2.032 124.901 122.820 0.082 0.000 1.883 447 A HA 0.198 4.519 4.320 0.000 0.000 0.217 447 A C 2.722 180.362 177.584 0.092 0.000 1.186 447 A CA 1.801 53.885 52.037 0.078 0.000 0.624 447 A CB -1.700 17.320 19.000 0.033 0.000 0.822 447 A HN 0.607 nan 8.150 nan 0.000 0.444 448 G N -0.798 108.058 108.800 0.093 0.000 2.459 448 G HA2 -0.313 3.648 3.960 0.000 0.000 0.217 448 G HA3 -0.313 3.648 3.960 0.000 0.000 0.217 448 G C 1.626 176.658 174.900 0.220 0.000 1.183 448 G CA 1.357 46.550 45.100 0.155 0.000 0.776 448 G HN 0.529 nan 8.290 nan 0.000 0.552 449 C N -0.280 119.120 119.300 0.166 0.000 2.413 449 C HA -0.027 4.433 4.460 0.000 0.000 0.276 449 C C 2.422 177.494 174.990 0.137 0.000 1.248 449 C CA 0.700 59.810 59.018 0.154 0.000 1.742 449 C CB -1.277 26.554 27.740 0.152 0.000 2.017 449 C HN 0.454 nan 8.230 nan 0.000 0.481 450 F N 1.442 121.430 119.950 0.064 0.000 2.043 450 F HA -0.193 4.334 4.527 0.000 0.000 0.297 450 F C 2.140 178.014 175.800 0.123 0.000 1.121 450 F CA 1.791 59.844 58.000 0.088 0.000 1.199 450 F CB -0.465 38.571 39.000 0.060 0.000 0.968 450 F HN 0.112 nan 8.300 nan 0.000 0.478 451 L N -0.065 121.299 121.223 0.234 0.000 2.141 451 L HA -0.200 4.140 4.340 0.000 0.000 0.209 451 L C 2.673 179.364 176.870 -0.300 0.000 1.094 451 L CA 1.304 56.185 54.840 0.068 0.000 0.763 451 L CB -0.963 41.167 42.059 0.117 0.000 0.908 451 L HN 0.337 nan 8.230 nan 0.000 0.437 452 S N -0.052 115.434 115.700 -0.357 0.000 2.419 452 S HA -0.178 4.293 4.470 0.000 0.000 0.233 452 S C 1.956 176.306 174.600 -0.417 0.000 1.016 452 S CA 0.656 58.504 58.200 -0.587 0.000 0.974 452 S CB -0.400 62.745 63.200 -0.091 0.000 0.786 452 S HN 0.420 nan 8.310 nan 0.000 0.492 453 R N -0.306 119.994 120.500 -0.333 0.000 2.285 453 R HA 0.105 4.445 4.340 0.000 0.000 0.213 453 R C 0.473 176.361 176.300 -0.688 0.000 1.068 453 R CA 0.950 56.755 56.100 -0.491 0.000 1.004 453 R CB -0.322 29.599 30.300 -0.632 0.000 0.873 453 R HN 0.544 nan 8.270 nan 0.000 0.467 454 F N -1.287 118.406 119.950 -0.427 0.000 2.682 454 F HA 0.322 4.849 4.527 0.000 0.000 0.308 454 F C 1.416 176.959 175.800 -0.429 0.000 1.093 454 F CA -0.286 57.508 58.000 -0.345 0.000 1.244 454 F CB 0.720 39.573 39.000 -0.245 0.000 1.052 454 F HN -0.114 nan 8.300 nan 0.000 0.573 455 A N -0.565 121.954 122.820 -0.501 0.000 2.538 455 A HA 0.223 4.543 4.320 0.000 0.000 0.269 455 A C 1.699 178.882 177.584 -0.668 0.000 1.231 455 A CA -0.191 51.399 52.037 -0.745 0.000 0.948 455 A CB -0.281 17.995 19.000 -1.207 0.000 1.110 455 A HN 0.178 nan 8.150 nan 0.000 0.529 456 K N 0.117 120.227 120.400 -0.483 0.000 2.280 456 K HA -0.028 4.292 4.320 0.000 0.000 0.202 456 K C 1.777 178.183 176.600 -0.325 0.000 1.047 456 K CA 1.106 57.197 56.287 -0.326 0.000 0.942 456 K CB -0.092 32.261 32.500 -0.245 0.000 0.739 456 K HN 0.435 nan 8.250 nan 0.000 0.457 457 A N 0.638 123.174 122.820 -0.474 0.000 2.206 457 A HA 0.001 4.321 4.320 0.000 0.000 0.211 457 A C 0.152 177.632 177.584 -0.173 0.000 1.158 457 A CA 0.558 52.420 52.037 -0.292 0.000 0.761 457 A CB -0.368 18.518 19.000 -0.190 0.000 0.801 457 A HN 0.361 nan 8.150 nan 0.000 0.473 458 Y N -3.753 116.581 120.300 0.057 0.000 2.705 458 Y HA 0.503 5.053 4.550 0.000 0.000 0.332 458 Y C -0.755 175.238 175.900 0.155 0.000 1.221 458 Y CA -2.611 55.548 58.100 0.098 0.000 1.059 458 Y CB -0.134 38.395 38.460 0.115 0.000 1.298 458 Y HN 0.015 nan 8.280 nan 0.000 0.459 459 N N 0.621 119.574 118.700 0.422 0.000 2.475 459 N HA 0.308 5.048 4.740 0.000 0.000 0.267 459 N C -1.593 174.222 175.510 0.509 0.000 1.169 459 N CA -0.019 53.244 53.050 0.356 0.000 0.947 459 N CB 0.779 39.407 38.487 0.236 0.000 1.061 459 N HN 0.713 nan 8.380 nan 0.000 0.466 460 W N 2.610 124.046 121.300 0.226 0.000 3.107 460 W HA 0.693 5.353 4.660 0.000 0.000 0.331 460 W C -1.896 174.702 176.519 0.133 0.000 1.204 460 W CA -0.576 56.909 57.345 0.232 0.000 1.184 460 W CB 1.090 30.768 29.460 0.364 0.000 1.421 460 W HN 0.471 nan 8.180 nan 0.000 0.544 461 A N 3.818 126.100 122.820 -0.898 0.000 2.572 461 A HA 0.588 4.908 4.320 0.000 0.000 0.295 461 A C -2.183 174.775 177.584 -1.044 0.000 1.072 461 A CA -0.635 50.814 52.037 -0.981 0.000 0.691 461 A CB 1.678 20.398 19.000 -0.468 0.000 1.291 461 A HN 0.927 nan 8.150 nan 0.000 0.404 462 H N 2.299 120.833 119.070 -0.893 0.000 2.689 462 H HA 0.679 5.235 4.556 0.000 0.000 0.346 462 H C -1.704 173.468 175.328 -0.261 0.000 1.037 462 H CA -0.794 54.978 56.048 -0.460 0.000 1.234 462 H CB 1.193 30.782 29.762 -0.287 0.000 1.572 462 H HN 0.651 nan 8.280 nan 0.000 0.524 463 M N 4.308 123.549 119.600 -0.598 0.000 2.181 463 M HA 0.142 4.622 4.480 0.000 0.000 0.323 463 M C -0.955 175.028 176.300 -0.528 0.000 1.004 463 M CA -0.758 54.244 55.300 -0.496 0.000 0.941 463 M CB 1.924 34.364 32.600 -0.266 0.000 1.579 463 M HN 0.475 nan 8.290 nan 0.000 0.427 464 D N 4.548 124.670 120.400 -0.463 0.000 2.392 464 D HA 0.362 5.002 4.640 0.000 0.000 0.228 464 D C 0.126 176.331 176.300 -0.158 0.000 1.074 464 D CA -0.335 53.511 54.000 -0.256 0.000 0.838 464 D CB 0.958 41.655 40.800 -0.172 0.000 1.067 464 D HN 0.743 nan 8.370 nan 0.000 0.511 465 I N 0.873 121.378 120.570 -0.108 0.000 3.927 465 I HA 0.369 4.539 4.170 0.000 0.000 0.332 465 I C 1.552 177.595 176.117 -0.123 0.000 1.485 465 I CA -0.519 60.717 61.300 -0.106 0.000 1.131 465 I CB 0.652 38.608 38.000 -0.072 0.000 1.092 465 I HN 0.202 nan 8.210 nan 0.000 0.410 466 A N 1.904 124.657 122.820 -0.111 0.000 1.997 466 A HA -0.116 4.204 4.320 0.000 0.000 0.221 466 A C 2.207 179.524 177.584 -0.446 0.000 1.172 466 A CA 2.188 54.120 52.037 -0.175 0.000 0.645 466 A CB -1.109 17.836 19.000 -0.091 0.000 0.813 466 A HN 0.611 nan 8.150 nan 0.000 0.454 467 G N -2.063 106.523 108.800 -0.357 0.000 2.796 467 G HA2 0.149 4.109 3.960 0.000 0.000 0.210 467 G HA3 0.149 4.109 3.960 0.000 0.000 0.210 467 G C 1.343 175.984 174.900 -0.432 0.000 1.146 467 G CA 1.357 46.197 45.100 -0.433 0.000 0.779 467 G HN 0.681 nan 8.290 nan 0.000 0.535 468 T N -2.747 111.612 114.554 -0.325 0.000 3.001 468 T HA 0.463 4.813 4.350 0.000 0.000 0.251 468 T C 2.262 176.831 174.700 -0.218 0.000 1.040 468 T CA 0.989 62.941 62.100 -0.246 0.000 0.985 468 T CB 0.613 69.388 68.868 -0.156 0.000 1.011 468 T HN 0.144 nan 8.240 nan 0.000 0.509 469 A N 0.950 123.640 122.820 -0.218 0.000 2.067 469 A HA 0.480 4.800 4.320 0.000 0.000 0.217 469 A C 0.614 178.194 177.584 -0.007 0.000 1.156 469 A CA 0.196 52.202 52.037 -0.052 0.000 0.683 469 A CB -0.552 18.524 19.000 0.126 0.000 0.808 469 A HN 0.883 nan 8.150 nan 0.000 0.455 470 W N -2.778 118.342 121.300 -0.300 0.000 3.074 470 W HA 0.685 5.346 4.660 0.000 0.000 0.332 470 W C -1.726 174.607 176.519 -0.310 0.000 1.253 470 W CA -1.291 55.780 57.345 -0.456 0.000 1.180 470 W CB 0.291 29.191 29.460 -0.933 0.000 1.445 470 W HN -0.129 nan 8.180 nan 0.000 0.573 471 I N 3.121 123.647 120.570 -0.073 0.000 2.354 471 I HA 0.179 4.349 4.170 0.000 0.000 0.292 471 I C 0.987 177.179 176.117 0.125 0.000 0.989 471 I CA -0.384 60.872 61.300 -0.074 0.000 1.188 471 I CB 1.887 39.856 38.000 -0.052 0.000 1.342 471 I HN 0.717 nan 8.210 nan 0.000 0.457 472 S N 3.470 119.220 115.700 0.083 0.000 2.368 472 S HA 0.019 4.489 4.470 0.000 0.000 0.225 472 S C 0.725 175.418 174.600 0.155 0.000 1.030 472 S CA 1.308 59.635 58.200 0.211 0.000 0.999 472 S CB 0.063 63.333 63.200 0.118 0.000 0.844 472 S HN 0.888 nan 8.310 nan 0.000 0.459 473 G N -1.872 106.978 108.800 0.083 0.000 2.788 473 G HA2 0.561 4.522 3.960 0.000 0.000 0.293 473 G HA3 0.561 4.522 3.960 0.000 0.000 0.293 473 G C -0.117 174.812 174.900 0.049 0.000 1.392 473 G CA -0.076 45.064 45.100 0.067 0.000 0.810 473 G HN 0.781 nan 8.290 nan 0.000 0.508 474 G N -0.633 108.193 108.800 0.043 0.000 2.697 474 G HA2 -0.211 3.749 3.960 0.000 0.000 0.240 474 G HA3 -0.211 3.749 3.960 0.000 0.000 0.240 474 G C 0.511 175.439 174.900 0.047 0.000 1.346 474 G CA 0.488 45.610 45.100 0.036 0.000 0.887 474 G HN 0.817 nan 8.290 nan 0.000 0.569 475 K N -0.197 120.229 120.400 0.043 0.000 2.374 475 K HA 0.150 4.470 4.320 0.000 0.000 0.196 475 K C 0.944 177.582 176.600 0.062 0.000 1.023 475 K CA 0.417 56.736 56.287 0.054 0.000 1.103 475 K CB 0.233 32.761 32.500 0.047 0.000 0.848 475 K HN 0.378 nan 8.250 nan 0.000 0.528 476 D N 1.259 121.689 120.400 0.051 0.000 2.340 476 D HA -0.062 4.578 4.640 0.000 0.000 0.220 476 D C 0.157 176.490 176.300 0.056 0.000 1.039 476 D CA 0.369 54.400 54.000 0.051 0.000 0.866 476 D CB 0.131 40.947 40.800 0.027 0.000 0.913 476 D HN 0.065 nan 8.370 nan 0.000 0.523 477 K N 0.927 121.370 120.400 0.071 0.000 2.504 477 K HA 0.202 4.522 4.320 0.000 0.000 0.278 477 K C 0.285 176.947 176.600 0.102 0.000 1.025 477 K CA 0.524 56.868 56.287 0.095 0.000 1.093 477 K CB 0.091 32.663 32.500 0.120 0.000 0.873 477 K HN 0.145 nan 8.250 nan 0.000 0.483 478 G N 1.780 110.609 108.800 0.049 0.000 2.350 478 G HA2 0.331 4.291 3.960 0.000 0.000 0.304 478 G HA3 0.331 4.291 3.960 0.000 0.000 0.304 478 G C -1.211 173.534 174.900 -0.259 0.000 1.421 478 G CA -0.597 44.489 45.100 -0.024 0.000 0.934 478 G HN 0.771 nan 8.290 nan 0.000 0.632 479 A N 0.083 122.690 122.820 -0.355 0.000 2.531 479 A HA 0.625 4.945 4.320 0.000 0.000 0.236 479 A C 1.225 178.684 177.584 -0.208 0.000 1.062 479 A CA 1.396 53.250 52.037 -0.305 0.000 0.760 479 A CB -0.162 18.743 19.000 -0.159 0.000 0.995 479 A HN 2.270 nan 8.150 nan 0.000 0.501 480 T N -0.673 113.784 114.554 -0.163 0.000 2.936 480 T HA 0.560 4.910 4.350 0.000 0.000 0.282 480 T C 0.992 175.608 174.700 -0.139 0.000 1.003 480 T CA -0.049 61.964 62.100 -0.145 0.000 1.005 480 T CB 1.574 70.371 68.868 -0.119 0.000 1.097 480 T HN 1.049 nan 8.240 nan 0.000 0.532 481 G N 0.145 108.870 108.800 -0.124 0.000 3.210 481 G HA2 0.159 4.119 3.960 0.000 0.000 0.220 481 G HA3 0.159 4.119 3.960 0.000 0.000 0.220 481 G C 0.460 175.325 174.900 -0.059 0.000 1.200 481 G CA -0.527 44.517 45.100 -0.095 0.000 0.834 481 G HN 0.629 nan 8.290 nan 0.000 0.524 482 R N 0.693 121.156 120.500 -0.062 0.000 2.357 482 R HA 0.301 4.641 4.340 0.000 0.000 0.296 482 R C -2.195 174.078 176.300 -0.044 0.000 1.052 482 R CA -1.464 54.605 56.100 -0.052 0.000 0.988 482 R CB 1.492 31.753 30.300 -0.063 0.000 1.025 482 R HN -0.019 nan 8.270 nan 0.000 0.469 483 P HA 0.096 nan 4.420 nan 0.000 0.228 483 P C 0.537 177.821 177.300 -0.026 0.000 1.873 483 P CA -0.117 62.959 63.100 -0.040 0.000 1.033 483 P CB 0.483 32.151 31.700 -0.054 0.000 1.707 484 V N 1.361 121.265 119.914 -0.017 0.000 2.324 484 V HA -0.164 3.956 4.120 0.000 0.000 0.250 484 V C -0.279 175.815 176.094 0.001 0.000 1.060 484 V CA 2.284 64.582 62.300 -0.002 0.000 1.042 484 V CB -2.208 29.621 31.823 0.011 0.000 0.650 484 V HN 0.255 nan 8.190 nan 0.000 0.450 485 P HA -0.175 nan 4.420 nan 0.000 0.214 485 P C 2.096 179.402 177.300 0.010 0.000 1.163 485 P CA 1.540 64.644 63.100 0.007 0.000 0.883 485 P CB -0.079 31.623 31.700 0.004 0.000 0.788 486 L N -1.161 120.063 121.223 0.002 0.000 1.989 486 L HA -0.194 4.146 4.340 0.000 0.000 0.211 486 L C 2.463 179.346 176.870 0.022 0.000 1.071 486 L CA 1.687 56.531 54.840 0.006 0.000 0.749 486 L CB -0.800 41.247 42.059 -0.020 0.000 0.890 486 L HN -0.125 nan 8.230 nan 0.000 0.431 487 L N -0.972 120.252 121.223 0.003 0.000 2.017 487 L HA -0.215 4.125 4.340 0.000 0.000 0.208 487 L C 2.510 179.411 176.870 0.051 0.000 1.073 487 L CA 1.852 56.703 54.840 0.019 0.000 0.745 487 L CB -0.917 41.134 42.059 -0.013 0.000 0.894 487 L HN 0.302 nan 8.230 nan 0.000 0.432 488 T N -1.308 113.254 114.554 0.014 0.000 2.720 488 T HA -0.292 4.058 4.350 0.000 0.000 0.268 488 T C 1.794 176.476 174.700 -0.029 0.000 1.037 488 T CA 1.626 63.717 62.100 -0.016 0.000 1.144 488 T CB -0.226 68.632 68.868 -0.017 0.000 0.864 488 T HN 0.212 nan 8.240 nan 0.000 0.444 489 Q N 0.345 120.147 119.800 0.004 0.000 2.084 489 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 489 Q C 1.964 177.959 176.000 -0.009 0.000 0.978 489 Q CA 1.544 57.349 55.803 0.004 0.000 0.844 489 Q CB -0.723 28.039 28.738 0.040 0.000 0.898 489 Q HN 0.713 nan 8.270 nan 0.000 0.426 490 Y N 0.035 120.277 120.300 -0.097 0.000 2.165 490 Y HA -0.199 4.351 4.550 0.000 0.000 0.286 490 Y C 1.472 177.249 175.900 -0.205 0.000 1.155 490 Y CA 1.869 59.890 58.100 -0.132 0.000 1.164 490 Y CB -0.135 38.244 38.460 -0.135 0.000 0.978 490 Y HN 0.184 nan 8.280 nan 0.000 0.513 491 L N -0.732 120.297 121.223 -0.324 0.000 2.179 491 L HA -0.140 4.200 4.340 0.000 0.000 0.208 491 L C 2.406 179.063 176.870 -0.354 0.000 1.096 491 L CA 0.624 55.176 54.840 -0.478 0.000 0.779 491 L CB -0.488 41.414 42.059 -0.261 0.000 0.922 491 L HN 0.258 nan 8.230 nan 0.000 0.443 492 L N -0.241 120.836 121.223 -0.243 0.000 2.042 492 L HA -0.257 4.083 4.340 0.000 0.000 0.210 492 L C 2.214 178.966 176.870 -0.198 0.000 1.076 492 L CA 1.181 55.892 54.840 -0.215 0.000 0.749 492 L CB -0.571 41.361 42.059 -0.212 0.000 0.893 492 L HN 0.280 nan 8.230 nan 0.000 0.432 493 D N -0.387 119.882 120.400 -0.219 0.000 2.097 493 D HA -0.144 4.496 4.640 0.000 0.000 0.195 493 D C 2.370 178.534 176.300 -0.226 0.000 0.989 493 D CA 0.948 54.834 54.000 -0.190 0.000 0.827 493 D CB -0.162 40.528 40.800 -0.184 0.000 0.966 493 D HN 0.133 nan 8.370 nan 0.000 0.456 494 R N 0.635 120.903 120.500 -0.386 0.000 2.096 494 R HA 0.020 4.360 4.340 0.000 0.000 0.235 494 R C 1.944 178.148 176.300 -0.160 0.000 1.127 494 R CA 0.969 56.862 56.100 -0.346 0.000 0.968 494 R CB -0.669 29.202 30.300 -0.715 0.000 0.861 494 R HN 0.140 nan 8.270 nan 0.000 0.440 495 A N -0.119 122.605 122.820 -0.160 0.000 2.218 495 A HA 0.261 4.581 4.320 0.000 0.000 0.209 495 A C 1.323 178.878 177.584 -0.048 0.000 1.168 495 A CA 0.768 52.764 52.037 -0.068 0.000 0.804 495 A CB -0.094 18.867 19.000 -0.066 0.000 0.834 495 A HN 0.398 nan 8.150 nan 0.000 0.482 496 G N -1.315 107.444 108.800 -0.068 0.000 2.198 496 G HA2 0.052 4.012 3.960 0.000 0.000 0.260 496 G HA3 0.052 4.012 3.960 0.000 0.000 0.260 496 G C 0.457 175.334 174.900 -0.039 0.000 1.025 496 G CA 0.650 45.721 45.100 -0.048 0.000 0.769 496 G HN 1.447 nan 8.290 nan 0.000 0.507 497 A N 0.000 122.789 122.820 -0.052 0.000 2.254 497 A HA 0.000 4.320 4.320 0.000 0.000 0.244 497 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 497 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486