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 3h8g_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 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 E N 3.315 123.521 120.200 0.011 0.000 2.289 2 E HA 0.455 4.805 4.350 -0.001 0.000 0.278 2 E C -1.859 174.747 176.600 0.011 0.000 1.032 2 E CA -0.465 55.941 56.400 0.010 0.000 0.854 2 E CB 1.149 30.852 29.700 0.006 0.000 1.046 2 E HN 0.545 nan 8.360 nan 0.000 0.409 3 L N 6.765 127.995 121.223 0.011 0.000 2.372 3 L HA 0.371 4.710 4.340 -0.001 0.000 0.273 3 L C -1.158 175.714 176.870 0.003 0.000 0.989 3 L CA -0.710 54.137 54.840 0.011 0.000 0.841 3 L CB 1.399 43.469 42.059 0.020 0.000 1.225 3 L HN 0.379 nan 8.230 nan 0.000 0.414 4 V N 2.793 122.704 119.914 -0.004 0.000 3.074 4 V HA 0.866 4.986 4.120 -0.001 0.000 0.314 4 V C -0.981 175.094 176.094 -0.030 0.000 1.117 4 V CA -0.789 61.502 62.300 -0.015 0.000 1.014 4 V CB 2.116 33.932 31.823 -0.012 0.000 1.057 4 V HN 0.366 nan 8.190 nan 0.000 0.438 5 V N 1.860 121.748 119.914 -0.044 0.000 2.540 5 V HA 0.654 4.773 4.120 -0.001 0.000 0.302 5 V C -0.118 175.944 176.094 -0.054 0.000 1.035 5 V CA -0.563 61.696 62.300 -0.069 0.000 0.873 5 V CB 1.570 33.333 31.823 -0.100 0.000 0.992 5 V HN 1.043 nan 8.190 nan 0.000 0.428 6 K N 1.467 121.836 120.400 -0.051 0.000 2.444 6 K HA 0.584 4.903 4.320 -0.001 0.000 0.252 6 K C 0.185 176.762 176.600 -0.039 0.000 0.993 6 K CA -0.654 55.611 56.287 -0.038 0.000 0.847 6 K CB 2.199 34.686 32.500 -0.022 0.000 1.340 6 K HN 0.516 nan 8.250 nan 0.000 0.446 7 S N 0.678 116.359 115.700 -0.031 0.000 2.650 7 S HA 0.091 4.560 4.470 -0.001 0.000 0.240 7 S C 0.158 174.751 174.600 -0.012 0.000 1.007 7 S CA -0.517 57.666 58.200 -0.027 0.000 0.984 7 S CB 0.008 63.187 63.200 -0.035 0.000 0.910 7 S HN 0.398 nan 8.310 nan 0.000 0.509 8 V N 0.865 120.774 119.914 -0.008 0.000 3.185 8 V HA 0.776 4.896 4.120 -0.001 0.000 0.305 8 V C 0.630 176.727 176.094 0.005 0.000 1.090 8 V CA -0.615 61.684 62.300 -0.002 0.000 1.107 8 V CB 0.045 31.867 31.823 -0.002 0.000 1.061 8 V HN 0.385 nan 8.190 nan 0.000 0.480 9 A N 2.422 125.247 122.820 0.007 0.000 2.440 9 A HA 0.645 4.964 4.320 -0.001 0.000 0.251 9 A C 1.530 179.123 177.584 0.014 0.000 1.089 9 A CA 0.154 52.198 52.037 0.012 0.000 0.779 9 A CB 0.305 19.311 19.000 0.010 0.000 1.022 9 A HN 1.929 nan 8.150 nan 0.000 0.492 10 A N 2.655 125.487 122.820 0.020 0.000 1.940 10 A HA 0.087 4.406 4.320 -0.001 0.000 0.219 10 A C 2.277 179.872 177.584 0.018 0.000 1.176 10 A CA 2.275 54.325 52.037 0.022 0.000 0.631 10 A CB -0.842 18.175 19.000 0.029 0.000 0.814 10 A HN 1.713 nan 8.150 nan 0.000 0.446 11 A N -0.039 122.790 122.820 0.016 0.000 2.067 11 A HA 0.010 4.329 4.320 -0.001 0.000 0.219 11 A C 2.339 179.930 177.584 0.010 0.000 1.158 11 A CA 1.947 53.992 52.037 0.013 0.000 0.661 11 A CB -0.647 18.360 19.000 0.012 0.000 0.801 11 A HN 0.997 nan 8.150 nan 0.000 0.452 12 S N -1.330 114.376 115.700 0.010 0.000 2.528 12 S HA 0.157 4.626 4.470 -0.001 0.000 0.219 12 S C 0.557 175.161 174.600 0.007 0.000 0.985 12 S CA 0.403 58.608 58.200 0.007 0.000 0.914 12 S CB -0.496 62.708 63.200 0.006 0.000 0.776 12 S HN 0.318 nan 8.310 nan 0.000 0.526 13 V N 2.791 122.710 119.914 0.008 0.000 2.461 13 V HA 0.350 4.469 4.120 -0.001 0.000 0.275 13 V C 0.031 176.129 176.094 0.007 0.000 1.047 13 V CA -0.749 61.555 62.300 0.007 0.000 0.955 13 V CB 0.900 32.728 31.823 0.009 0.000 0.988 13 V HN 0.470 nan 8.190 nan 0.000 0.471 14 K N 4.713 125.116 120.400 0.005 0.000 2.383 14 K HA 0.418 4.737 4.320 -0.001 0.000 0.286 14 K C -0.343 176.260 176.600 0.005 0.000 1.051 14 K CA 0.208 56.498 56.287 0.005 0.000 0.974 14 K CB 0.545 33.046 32.500 0.003 0.000 0.968 14 K HN 0.867 nan 8.250 nan 0.000 0.475 15 T N 1.770 116.328 114.554 0.006 0.000 2.830 15 T HA 0.394 4.743 4.350 -0.001 0.000 0.322 15 T C 0.379 175.083 174.700 0.006 0.000 1.501 15 T CA -0.010 62.094 62.100 0.007 0.000 1.036 15 T CB 1.296 70.170 68.868 0.009 0.000 1.379 15 T HN 0.523 nan 8.240 nan 0.000 0.493 16 A N 1.723 124.547 122.820 0.006 0.000 1.930 16 A HA 0.312 4.631 4.320 -0.001 0.000 0.217 16 A C 0.903 178.491 177.584 0.007 0.000 1.175 16 A CA 1.396 53.436 52.037 0.005 0.000 0.627 16 A CB -0.307 18.695 19.000 0.004 0.000 0.815 16 A HN 0.815 nan 8.150 nan 0.000 0.443 17 T N -0.500 114.059 114.554 0.009 0.000 3.071 17 T HA 0.467 4.816 4.350 -0.001 0.000 0.311 17 T C -1.304 173.405 174.700 0.015 0.000 1.042 17 T CA -0.427 61.679 62.100 0.011 0.000 1.028 17 T CB 1.553 70.426 68.868 0.009 0.000 1.068 17 T HN 0.230 nan 8.240 nan 0.000 0.451 18 L N 4.654 125.887 121.223 0.017 0.000 2.275 18 L HA 0.751 5.090 4.340 -0.001 0.000 0.288 18 L C -0.920 175.965 176.870 0.026 0.000 1.046 18 L CA -0.361 54.492 54.840 0.022 0.000 0.805 18 L CB 0.991 43.062 42.059 0.021 0.000 1.193 18 L HN 0.484 nan 8.230 nan 0.000 0.426 19 V N 6.901 126.835 119.914 0.034 0.000 2.398 19 V HA 0.533 4.653 4.120 -0.001 0.000 0.286 19 V C 0.089 176.213 176.094 0.051 0.000 1.026 19 V CA -0.454 61.868 62.300 0.038 0.000 0.868 19 V CB 1.165 33.010 31.823 0.038 0.000 0.982 19 V HN 0.758 nan 8.190 nan 0.000 0.443 20 I N 3.284 123.882 120.570 0.047 0.000 2.828 20 I HA 0.815 4.984 4.170 -0.001 0.000 0.302 20 I C -2.892 173.257 176.117 0.054 0.000 1.101 20 I CA -2.610 58.723 61.300 0.054 0.000 1.031 20 I CB 2.970 40.996 38.000 0.043 0.000 1.231 20 I HN 0.359 nan 8.210 nan 0.000 0.427 21 P HA 0.426 nan 4.420 nan 0.000 0.290 21 P C -1.070 176.254 177.300 0.041 0.000 1.275 21 P CA -0.543 62.593 63.100 0.059 0.000 0.841 21 P CB 2.311 34.057 31.700 0.076 0.000 1.042 22 V N 1.792 121.727 119.914 0.035 0.000 2.638 22 V HA 0.581 4.700 4.120 -0.001 0.000 0.306 22 V C 0.857 176.965 176.094 0.022 0.000 1.052 22 V CA -0.517 61.797 62.300 0.025 0.000 0.885 22 V CB 1.794 33.630 31.823 0.021 0.000 0.999 22 V HN 0.813 nan 8.190 nan 0.000 0.424 23 G N 2.565 111.375 108.800 0.017 0.000 2.588 23 G HA2 0.461 4.420 3.960 -0.001 0.000 0.281 23 G HA3 0.461 4.420 3.960 -0.001 0.000 0.281 23 G C -0.178 174.728 174.900 0.010 0.000 1.236 23 G CA -0.469 44.639 45.100 0.013 0.000 0.969 23 G HN 0.717 nan 8.290 nan 0.000 0.504 24 E N 0.303 120.507 120.200 0.008 0.000 2.422 24 E HA -0.014 4.335 4.350 -0.001 0.000 0.260 24 E C 0.045 176.648 176.600 0.004 0.000 1.108 24 E CA 0.088 56.491 56.400 0.006 0.000 0.943 24 E CB 0.278 29.980 29.700 0.004 0.000 0.961 24 E HN 0.501 nan 8.360 nan 0.000 0.443 25 N N 1.951 120.653 118.700 0.004 0.000 2.725 25 N HA -0.261 4.478 4.740 -0.001 0.000 0.249 25 N C -0.699 174.813 175.510 0.004 0.000 1.103 25 N CA 1.267 54.319 53.050 0.003 0.000 0.707 25 N CB -0.977 37.511 38.487 0.002 0.000 1.043 25 N HN 0.640 nan 8.380 nan 0.000 0.553 26 R N -2.009 118.494 120.500 0.006 0.000 3.758 26 R HA -0.225 4.114 4.340 -0.001 0.000 0.299 26 R C 0.181 176.485 176.300 0.007 0.000 1.182 26 R CA 1.440 57.544 56.100 0.007 0.000 0.809 26 R CB -1.468 28.836 30.300 0.006 0.000 1.249 26 R HN 0.489 nan 8.270 nan 0.000 0.497 27 K N 1.701 122.105 120.400 0.007 0.000 2.339 27 K HA 0.251 4.571 4.320 -0.001 0.000 0.286 27 K C -0.274 176.331 176.600 0.008 0.000 1.050 27 K CA -0.110 56.181 56.287 0.006 0.000 0.956 27 K CB 0.514 33.017 32.500 0.004 0.000 0.990 27 K HN 0.108 nan 8.250 nan 0.000 0.475 28 L N 4.077 125.305 121.223 0.009 0.000 2.296 28 L HA 0.382 4.721 4.340 -0.001 0.000 0.286 28 L C 0.941 177.817 176.870 0.010 0.000 1.023 28 L CA -1.023 53.824 54.840 0.011 0.000 0.812 28 L CB 1.636 43.703 42.059 0.012 0.000 1.223 28 L HN 0.806 nan 8.230 nan 0.000 0.421 29 G N 1.215 110.022 108.800 0.012 0.000 2.683 29 G HA2 0.300 4.259 3.960 -0.001 0.000 0.260 29 G HA3 0.300 4.259 3.960 -0.001 0.000 0.260 29 G C 1.032 175.940 174.900 0.014 0.000 1.238 29 G CA 0.213 45.319 45.100 0.010 0.000 0.934 29 G HN 0.830 nan 8.290 nan 0.000 0.534 30 A N -0.708 122.120 122.820 0.014 0.000 1.892 30 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 30 A C 2.581 180.177 177.584 0.021 0.000 1.188 30 A CA 2.323 54.370 52.037 0.016 0.000 0.631 30 A CB -0.782 18.227 19.000 0.016 0.000 0.822 30 A HN 0.567 nan 8.150 nan 0.000 0.447 31 V N -0.382 119.549 119.914 0.027 0.000 2.270 31 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 31 V C 3.080 179.191 176.094 0.030 0.000 1.043 31 V CA 2.019 64.338 62.300 0.033 0.000 1.014 31 V CB -1.315 30.536 31.823 0.046 0.000 0.645 31 V HN 0.641 nan 8.190 nan 0.000 0.447 32 A N -0.301 122.536 122.820 0.029 0.000 1.940 32 A HA -0.289 4.030 4.320 -0.001 0.000 0.219 32 A C 2.342 179.938 177.584 0.020 0.000 1.176 32 A CA 2.301 54.354 52.037 0.026 0.000 0.631 32 A CB -0.523 18.493 19.000 0.027 0.000 0.814 32 A HN 0.543 nan 8.150 nan 0.000 0.446 33 K N -0.349 120.062 120.400 0.018 0.000 2.057 33 K HA -0.072 4.247 4.320 -0.001 0.000 0.207 33 K C 2.139 178.747 176.600 0.014 0.000 1.049 33 K CA 1.181 57.476 56.287 0.014 0.000 0.931 33 K CB -0.332 32.175 32.500 0.012 0.000 0.714 33 K HN 0.363 nan 8.250 nan 0.000 0.440 34 A N 0.599 123.428 122.820 0.015 0.000 1.933 34 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 34 A C 2.187 179.779 177.584 0.014 0.000 1.175 34 A CA 1.628 53.674 52.037 0.014 0.000 0.628 34 A CB -0.535 18.475 19.000 0.016 0.000 0.814 34 A HN 0.181 nan 8.150 nan 0.000 0.444 35 V N 0.392 120.317 119.914 0.017 0.000 2.427 35 V HA -0.214 3.906 4.120 -0.001 0.000 0.248 35 V C 2.329 178.431 176.094 0.014 0.000 1.051 35 V CA 2.260 64.570 62.300 0.016 0.000 1.048 35 V CB -0.778 31.057 31.823 0.020 0.000 0.666 35 V HN 0.668 nan 8.190 nan 0.000 0.456 36 D N 0.423 120.831 120.400 0.014 0.000 2.104 36 D HA -0.171 4.468 4.640 -0.001 0.000 0.194 36 D C 2.038 178.344 176.300 0.010 0.000 0.994 36 D CA 1.571 55.578 54.000 0.011 0.000 0.830 36 D CB -0.198 40.609 40.800 0.011 0.000 0.959 36 D HN 0.373 nan 8.370 nan 0.000 0.452 37 L N -0.002 121.227 121.223 0.010 0.000 2.046 37 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 37 L C 2.629 179.503 176.870 0.008 0.000 1.077 37 L CA 1.171 56.016 54.840 0.008 0.000 0.747 37 L CB -0.586 41.478 42.059 0.008 0.000 0.896 37 L HN 0.062 nan 8.230 nan 0.000 0.432 38 A N 0.043 122.868 122.820 0.009 0.000 1.972 38 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 38 A C 2.389 179.977 177.584 0.008 0.000 1.169 38 A CA 1.789 53.831 52.037 0.008 0.000 0.635 38 A CB -0.586 18.419 19.000 0.009 0.000 0.810 38 A HN 0.511 nan 8.150 nan 0.000 0.446 39 S N -0.764 114.941 115.700 0.008 0.000 2.650 39 S HA 0.100 4.569 4.470 -0.001 0.000 0.219 39 S C 0.296 174.900 174.600 0.007 0.000 0.960 39 S CA 0.733 58.937 58.200 0.008 0.000 0.925 39 S CB -0.596 62.610 63.200 0.009 0.000 0.775 39 S HN 0.595 nan 8.310 nan 0.000 0.525 40 E N -0.236 119.968 120.200 0.006 0.000 2.513 40 E HA -0.181 4.168 4.350 -0.001 0.000 0.257 40 E C 0.732 177.336 176.600 0.006 0.000 1.098 40 E CA 0.255 56.659 56.400 0.006 0.000 0.752 40 E CB -2.103 27.600 29.700 0.005 0.000 1.324 40 E HN 1.018 nan 8.360 nan 0.000 0.403 41 G N -1.286 107.518 108.800 0.006 0.000 2.148 41 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.254 41 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.254 41 G C 1.010 175.914 174.900 0.006 0.000 0.981 41 G CA 0.780 45.883 45.100 0.006 0.000 0.670 41 G HN 0.868 nan 8.290 nan 0.000 0.528 42 A N -0.160 122.664 122.820 0.006 0.000 1.902 42 A HA 0.210 4.529 4.320 -0.001 0.000 0.217 42 A C 2.354 179.943 177.584 0.007 0.000 1.181 42 A CA 1.864 53.904 52.037 0.006 0.000 0.623 42 A CB -0.281 18.723 19.000 0.006 0.000 0.818 42 A HN 0.777 nan 8.150 nan 0.000 0.443 43 I N -0.758 119.817 120.570 0.008 0.000 2.202 43 I HA -0.194 3.976 4.170 -0.001 0.000 0.242 43 I C 2.720 178.842 176.117 0.009 0.000 1.091 43 I CA 1.330 62.636 61.300 0.009 0.000 1.368 43 I CB -0.282 37.725 38.000 0.011 0.000 1.058 43 I HN 0.211 nan 8.210 nan 0.000 0.410 44 S N 0.575 116.279 115.700 0.008 0.000 2.370 44 S HA -0.207 4.262 4.470 -0.001 0.000 0.226 44 S C 2.243 176.847 174.600 0.006 0.000 1.033 44 S CA 1.432 59.637 58.200 0.007 0.000 1.011 44 S CB -0.356 62.848 63.200 0.007 0.000 0.852 44 S HN 0.541 nan 8.310 nan 0.000 0.457 45 A N 0.914 123.737 122.820 0.006 0.000 1.883 45 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 45 A C 2.335 179.922 177.584 0.005 0.000 1.186 45 A CA 1.709 53.749 52.037 0.005 0.000 0.624 45 A CB -0.939 18.064 19.000 0.005 0.000 0.822 45 A HN 0.358 nan 8.150 nan 0.000 0.444 46 V N 0.112 120.030 119.914 0.006 0.000 2.295 46 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 46 V C 2.560 178.657 176.094 0.006 0.000 1.049 46 V CA 1.915 64.219 62.300 0.006 0.000 1.024 46 V CB -0.798 31.029 31.823 0.006 0.000 0.648 46 V HN 0.570 nan 8.190 nan 0.000 0.447 47 L N -0.100 121.127 121.223 0.007 0.000 2.127 47 L HA -0.243 4.096 4.340 -0.001 0.000 0.211 47 L C 2.551 179.425 176.870 0.005 0.000 1.089 47 L CA 1.839 56.683 54.840 0.007 0.000 0.757 47 L CB -0.629 41.434 42.059 0.008 0.000 0.899 47 L HN 0.320 nan 8.230 nan 0.000 0.434 48 K N 0.320 120.723 120.400 0.005 0.000 2.209 48 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 48 K C 2.140 178.743 176.600 0.004 0.000 1.048 48 K CA 1.000 57.289 56.287 0.004 0.000 0.940 48 K CB 0.074 32.576 32.500 0.004 0.000 0.729 48 K HN 0.258 nan 8.250 nan 0.000 0.451 49 R N -0.929 119.573 120.500 0.004 0.000 2.235 49 R HA -0.035 4.304 4.340 -0.001 0.000 0.213 49 R C 1.137 177.439 176.300 0.003 0.000 1.059 49 R CA 0.845 56.947 56.100 0.003 0.000 0.997 49 R CB 0.048 30.350 30.300 0.003 0.000 0.884 49 R HN 0.493 nan 8.270 nan 0.000 0.462 50 G N 1.215 110.018 108.800 0.004 0.000 2.141 50 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.242 50 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.242 50 G C 0.271 175.173 174.900 0.004 0.000 0.982 50 G CA 0.427 45.529 45.100 0.004 0.000 0.662 50 G HN 0.278 nan 8.290 nan 0.000 0.527 51 D N -0.717 119.685 120.400 0.004 0.000 2.219 51 D HA 0.046 4.685 4.640 -0.001 0.000 0.205 51 D C 1.250 177.553 176.300 0.005 0.000 0.970 51 D CA 0.799 54.802 54.000 0.004 0.000 0.851 51 D CB 0.180 40.982 40.800 0.004 0.000 0.943 51 D HN 0.488 nan 8.370 nan 0.000 0.488 52 L N 0.281 121.507 121.223 0.006 0.000 2.277 52 L HA 0.477 4.816 4.340 -0.001 0.000 0.284 52 L C 0.841 177.715 176.870 0.007 0.000 1.028 52 L CA -0.506 54.338 54.840 0.007 0.000 0.835 52 L CB 1.181 43.245 42.059 0.008 0.000 1.215 52 L HN -0.154 nan 8.230 nan 0.000 0.425 53 A N 3.708 126.531 122.820 0.006 0.000 2.119 53 A HA 0.344 4.663 4.320 -0.001 0.000 0.217 53 A C 1.590 179.179 177.584 0.007 0.000 1.153 53 A CA 0.737 52.777 52.037 0.005 0.000 0.692 53 A CB -0.755 18.248 19.000 0.004 0.000 0.799 53 A HN 1.636 nan 8.150 nan 0.000 0.458 54 G N -0.686 108.119 108.800 0.009 0.000 2.136 54 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.242 54 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.242 54 G C 0.137 175.045 174.900 0.013 0.000 0.989 54 G CA 0.421 45.528 45.100 0.012 0.000 0.682 54 G HN 0.601 nan 8.290 nan 0.000 0.522 55 K N 0.758 121.164 120.400 0.011 0.000 2.319 55 K HA 0.322 4.641 4.320 -0.001 0.000 0.265 55 K C -2.274 174.336 176.600 0.016 0.000 1.000 55 K CA -1.546 54.747 56.287 0.011 0.000 0.943 55 K CB 0.516 33.020 32.500 0.006 0.000 0.950 55 K HN -0.023 nan 8.250 nan 0.000 0.485 56 P HA -0.113 nan 4.420 nan 0.000 0.261 56 P C 0.667 177.979 177.300 0.020 0.000 1.183 56 P CA 1.152 64.270 63.100 0.031 0.000 0.761 56 P CB 0.322 32.044 31.700 0.036 0.000 0.785 57 G N 2.424 111.237 108.800 0.021 0.000 2.205 57 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.261 57 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.261 57 G C 0.275 175.177 174.900 0.002 0.000 0.980 57 G CA -0.181 44.921 45.100 0.004 0.000 0.632 57 G HN 0.559 nan 8.290 nan 0.000 0.533 58 Q N 1.010 120.814 119.800 0.007 0.000 2.432 58 Q HA 0.485 4.824 4.340 -0.001 0.000 0.264 58 Q C 0.656 176.660 176.000 0.007 0.000 1.035 58 Q CA 1.099 56.906 55.803 0.006 0.000 0.908 58 Q CB 0.624 29.366 28.738 0.007 0.000 1.280 58 Q HN 0.607 nan 8.270 nan 0.000 0.455 59 T N -0.855 113.702 114.554 0.005 0.000 2.906 59 T HA 0.740 5.089 4.350 -0.001 0.000 0.295 59 T C -0.973 173.731 174.700 0.006 0.000 1.075 59 T CA -0.946 61.158 62.100 0.006 0.000 1.005 59 T CB 1.167 70.037 68.868 0.003 0.000 1.136 59 T HN 0.515 nan 8.240 nan 0.000 0.498 60 L N 2.095 123.323 121.223 0.008 0.000 2.516 60 L HA 0.678 5.017 4.340 -0.001 0.000 0.267 60 L C -1.907 174.968 176.870 0.008 0.000 0.957 60 L CA -1.161 53.684 54.840 0.007 0.000 0.860 60 L CB 1.822 43.886 42.059 0.008 0.000 1.265 60 L HN 0.780 nan 8.230 nan 0.000 0.403 61 L N 5.644 126.871 121.223 0.006 0.000 2.287 61 L HA 0.606 4.945 4.340 -0.001 0.000 0.287 61 L C -1.270 175.604 176.870 0.006 0.000 1.022 61 L CA 0.008 54.852 54.840 0.007 0.000 0.814 61 L CB 1.373 43.435 42.059 0.005 0.000 1.217 61 L HN 0.537 nan 8.230 nan 0.000 0.420 62 L N 4.705 125.933 121.223 0.007 0.000 2.331 62 L HA 0.541 4.881 4.340 -0.001 0.000 0.275 62 L C 0.035 176.908 176.870 0.006 0.000 1.022 62 L CA -0.814 54.030 54.840 0.007 0.000 0.812 62 L CB 1.585 43.649 42.059 0.008 0.000 1.257 62 L HN 0.596 nan 8.230 nan 0.000 0.435 63 Q N 0.834 120.638 119.800 0.005 0.000 2.171 63 Q HA 0.288 4.627 4.340 -0.001 0.000 0.217 63 Q C -0.668 175.335 176.000 0.005 0.000 0.995 63 Q CA -1.099 54.707 55.803 0.005 0.000 0.979 63 Q CB 0.333 29.074 28.738 0.004 0.000 1.152 63 Q HN 0.399 nan 8.270 nan 0.000 0.525 64 N N 0.909 119.612 118.700 0.005 0.000 2.132 64 N HA -0.069 4.671 4.740 -0.001 0.000 0.280 64 N C -0.764 174.749 175.510 0.005 0.000 1.318 64 N CA 0.753 53.806 53.050 0.005 0.000 0.822 64 N CB -0.085 38.404 38.487 0.004 0.000 1.058 64 N HN 0.298 nan 8.380 nan 0.000 0.489 65 L N 1.515 122.741 121.223 0.006 0.000 2.322 65 L HA 0.326 4.665 4.340 -0.001 0.000 0.281 65 L C 0.786 177.659 176.870 0.006 0.000 1.014 65 L CA -0.810 54.033 54.840 0.006 0.000 0.815 65 L CB 1.616 43.679 42.059 0.007 0.000 1.247 65 L HN 0.438 nan 8.230 nan 0.000 0.421 66 Q N 1.671 121.474 119.800 0.005 0.000 2.286 66 Q HA 0.219 4.558 4.340 -0.001 0.000 0.290 66 Q C 1.026 177.029 176.000 0.005 0.000 1.049 66 Q CA 1.332 57.138 55.803 0.005 0.000 0.923 66 Q CB 0.535 29.275 28.738 0.004 0.000 1.183 66 Q HN 0.904 nan 8.270 nan 0.000 0.383 67 G N 2.997 111.800 108.800 0.005 0.000 2.213 67 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.226 67 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.226 67 G C -0.175 174.729 174.900 0.006 0.000 0.992 67 G CA 0.059 45.163 45.100 0.005 0.000 0.632 67 G HN 0.517 nan 8.290 nan 0.000 0.511 68 L N -0.487 120.740 121.223 0.007 0.000 2.322 68 L HA 0.623 4.962 4.340 -0.001 0.000 0.269 68 L C 1.253 178.127 176.870 0.007 0.000 1.012 68 L CA -0.948 53.897 54.840 0.008 0.000 0.815 68 L CB 1.618 43.683 42.059 0.009 0.000 1.295 68 L HN -0.014 nan 8.230 nan 0.000 0.438 69 K N 0.664 121.068 120.400 0.007 0.000 2.367 69 K HA 0.251 4.570 4.320 -0.001 0.000 0.194 69 K C 0.421 177.025 176.600 0.007 0.000 1.027 69 K CA -0.096 56.194 56.287 0.006 0.000 1.075 69 K CB 0.684 33.188 32.500 0.006 0.000 0.845 69 K HN 0.659 nan 8.250 nan 0.000 0.529 70 A N 1.490 124.315 122.820 0.008 0.000 2.401 70 A HA 0.063 4.382 4.320 -0.001 0.000 0.259 70 A C 0.537 178.125 177.584 0.007 0.000 1.103 70 A CA -0.208 51.834 52.037 0.008 0.000 0.789 70 A CB 0.335 19.341 19.000 0.011 0.000 1.035 70 A HN 0.243 nan 8.150 nan 0.000 0.491 71 E N 0.939 121.143 120.200 0.006 0.000 2.208 71 E HA -0.077 4.272 4.350 -0.001 0.000 0.193 71 E C 0.189 176.793 176.600 0.006 0.000 0.988 71 E CA 0.892 57.295 56.400 0.005 0.000 0.828 71 E CB 0.118 29.821 29.700 0.004 0.000 0.763 71 E HN 0.655 nan 8.360 nan 0.000 0.478 72 R N -0.299 120.205 120.500 0.007 0.000 2.740 72 R HA 0.482 4.821 4.340 -0.001 0.000 0.273 72 R C -1.474 174.832 176.300 0.010 0.000 0.998 72 R CA -0.641 55.463 56.100 0.008 0.000 0.900 72 R CB 2.595 32.899 30.300 0.007 0.000 1.223 72 R HN -0.184 nan 8.270 nan 0.000 0.466 73 V N 2.858 122.778 119.914 0.011 0.000 2.444 73 V HA 0.353 4.472 4.120 -0.001 0.000 0.294 73 V C -1.031 175.071 176.094 0.013 0.000 1.022 73 V CA -0.811 61.497 62.300 0.013 0.000 0.850 73 V CB 1.711 33.542 31.823 0.014 0.000 0.992 73 V HN 0.475 nan 8.190 nan 0.000 0.426 74 L N 6.774 128.006 121.223 0.015 0.000 2.265 74 L HA 0.573 4.913 4.340 -0.001 0.000 0.289 74 L C -0.510 176.372 176.870 0.019 0.000 1.033 74 L CA 0.152 55.001 54.840 0.014 0.000 0.814 74 L CB 0.960 43.026 42.059 0.012 0.000 1.203 74 L HN 0.522 nan 8.230 nan 0.000 0.423 75 L N 6.064 127.298 121.223 0.018 0.000 2.305 75 L HA 0.543 4.882 4.340 -0.001 0.000 0.281 75 L C -0.318 176.565 176.870 0.021 0.000 1.085 75 L CA -0.633 54.220 54.840 0.021 0.000 0.813 75 L CB 1.504 43.573 42.059 0.018 0.000 1.157 75 L HN 0.445 nan 8.230 nan 0.000 0.436 76 V N 2.720 122.651 119.914 0.028 0.000 2.588 76 V HA 0.665 4.784 4.120 -0.001 0.000 0.304 76 V C 0.403 176.518 176.094 0.035 0.000 1.042 76 V CA -0.348 61.969 62.300 0.028 0.000 0.877 76 V CB 1.970 33.809 31.823 0.028 0.000 0.996 76 V HN 0.817 nan 8.190 nan 0.000 0.425 77 G N 3.632 112.449 108.800 0.029 0.000 2.398 77 G HA2 0.367 4.327 3.960 -0.001 0.000 0.246 77 G HA3 0.367 4.327 3.960 -0.001 0.000 0.246 77 G C 0.714 175.641 174.900 0.044 0.000 1.289 77 G CA 0.355 45.473 45.100 0.030 0.000 0.869 77 G HN 1.394 nan 8.290 nan 0.000 0.543 78 S N 0.946 116.672 115.700 0.043 0.000 2.603 78 S HA 0.525 4.994 4.470 -0.001 0.000 0.232 78 S C 1.255 175.876 174.600 0.035 0.000 1.016 78 S CA 0.597 58.830 58.200 0.055 0.000 0.976 78 S CB -0.016 63.216 63.200 0.054 0.000 0.921 78 S HN 2.269 nan 8.310 nan 0.000 0.516 79 G N 2.067 110.881 108.800 0.024 0.000 2.584 79 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.229 79 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.229 79 G C -0.547 174.357 174.900 0.006 0.000 1.320 79 G CA -0.363 44.746 45.100 0.014 0.000 0.891 79 G HN 0.543 nan 8.290 nan 0.000 0.573 80 K N -0.386 120.014 120.400 0.001 0.000 2.233 80 K HA 0.329 4.649 4.320 -0.001 0.000 0.239 80 K C 0.399 176.994 176.600 -0.009 0.000 1.064 80 K CA 0.031 56.316 56.287 -0.004 0.000 0.884 80 K CB 0.211 32.708 32.500 -0.006 0.000 1.166 80 K HN 0.408 nan 8.250 nan 0.000 0.512 81 D N 1.699 122.093 120.400 -0.011 0.000 2.504 81 D HA -0.025 4.614 4.640 -0.001 0.000 0.243 81 D C -0.709 175.577 176.300 -0.023 0.000 1.203 81 D CA 0.176 54.166 54.000 -0.016 0.000 0.847 81 D CB -0.267 40.526 40.800 -0.013 0.000 0.973 81 D HN 0.375 nan 8.370 nan 0.000 0.490 82 E N -1.434 118.751 120.200 -0.025 0.000 2.336 82 E HA 0.675 5.024 4.350 -0.001 0.000 0.267 82 E C -0.763 175.810 176.600 -0.045 0.000 0.906 82 E CA -1.414 54.966 56.400 -0.033 0.000 0.781 82 E CB 1.346 31.031 29.700 -0.026 0.000 1.261 82 E HN -0.057 nan 8.360 nan 0.000 0.436 83 A N 2.610 125.395 122.820 -0.059 0.000 2.498 83 A HA 0.242 4.561 4.320 -0.001 0.000 0.239 83 A C 0.136 177.677 177.584 -0.071 0.000 1.068 83 A CA -0.255 51.730 52.037 -0.087 0.000 0.766 83 A CB -0.054 18.888 19.000 -0.098 0.000 1.003 83 A HN 0.568 nan 8.150 nan 0.000 0.497 84 L N 2.171 123.341 121.223 -0.089 0.000 2.395 84 L HA 0.451 4.790 4.340 -0.001 0.000 0.269 84 L C 1.301 178.151 176.870 -0.033 0.000 1.133 84 L CA -0.415 54.403 54.840 -0.036 0.000 0.812 84 L CB 0.768 42.837 42.059 0.017 0.000 1.125 84 L HN 0.868 nan 8.230 nan 0.000 0.452 85 G N 0.397 109.199 108.800 0.003 0.000 2.599 85 G HA2 0.051 4.010 3.960 -0.001 0.000 0.264 85 G HA3 0.051 4.010 3.960 -0.001 0.000 0.264 85 G C 0.335 175.272 174.900 0.061 0.000 1.200 85 G CA -0.383 44.723 45.100 0.010 0.000 0.896 85 G HN 0.721 nan 8.290 nan 0.000 0.536 86 D N -0.206 120.230 120.400 0.059 0.000 2.116 86 D HA -0.127 4.512 4.640 -0.001 0.000 0.193 86 D C 2.441 178.808 176.300 0.112 0.000 0.998 86 D CA 0.998 55.067 54.000 0.115 0.000 0.836 86 D CB 0.026 40.867 40.800 0.069 0.000 0.951 86 D HN 0.333 nan 8.370 nan 0.000 0.449 87 R N 0.189 120.717 120.500 0.047 0.000 2.081 87 R HA -0.034 4.305 4.340 -0.001 0.000 0.235 87 R C 2.189 178.507 176.300 0.029 0.000 1.131 87 R CA 1.565 57.674 56.100 0.015 0.000 0.960 87 R CB -0.873 29.413 30.300 -0.025 0.000 0.856 87 R HN 0.097 nan 8.270 nan 0.000 0.436 88 T N -0.079 114.508 114.554 0.055 0.000 2.777 88 T HA -0.171 4.178 4.350 -0.001 0.000 0.266 88 T C 1.361 176.141 174.700 0.133 0.000 1.040 88 T CA 1.284 63.425 62.100 0.067 0.000 1.141 88 T CB -0.432 68.473 68.868 0.062 0.000 0.868 88 T HN 0.488 nan 8.240 nan 0.000 0.444 89 W N 2.391 123.659 121.300 -0.053 0.000 2.335 89 W HA -0.187 4.473 4.660 -0.001 0.000 0.311 89 W C 2.196 178.681 176.519 -0.057 0.000 1.213 89 W CA 0.948 58.255 57.345 -0.064 0.000 1.274 89 W CB -0.163 29.248 29.460 -0.082 0.000 1.148 89 W HN 0.177 nan 8.180 nan 0.000 0.498 90 R N 0.342 120.757 120.500 -0.142 0.000 2.096 90 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 90 R C 2.289 178.459 176.300 -0.217 0.000 1.127 90 R CA 1.608 57.535 56.100 -0.288 0.000 0.968 90 R CB -0.445 29.771 30.300 -0.141 0.000 0.861 90 R HN 0.182 nan 8.270 nan 0.000 0.440 91 K N 0.858 121.190 120.400 -0.113 0.000 2.097 91 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 91 K C 2.156 178.697 176.600 -0.100 0.000 1.049 91 K CA 0.947 57.183 56.287 -0.085 0.000 0.933 91 K CB -0.203 32.272 32.500 -0.041 0.000 0.717 91 K HN 0.153 nan 8.250 nan 0.000 0.442 92 L N 1.008 122.169 121.223 -0.103 0.000 2.012 92 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 92 L C 2.108 178.863 176.870 -0.192 0.000 1.073 92 L CA 1.290 56.071 54.840 -0.098 0.000 0.748 92 L CB -0.192 41.859 42.059 -0.013 0.000 0.891 92 L HN -0.056 nan 8.230 nan 0.000 0.431 93 V N 0.263 119.952 119.914 -0.375 0.000 2.343 93 V HA -0.296 3.823 4.120 -0.001 0.000 0.247 93 V C 2.827 178.795 176.094 -0.209 0.000 1.051 93 V CA 1.718 63.791 62.300 -0.378 0.000 1.036 93 V CB -1.170 30.299 31.823 -0.590 0.000 0.654 93 V HN 0.620 nan 8.190 nan 0.000 0.451 94 A N -0.404 122.311 122.820 -0.176 0.000 1.933 94 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 94 A C 2.485 180.026 177.584 -0.071 0.000 1.175 94 A CA 2.195 54.170 52.037 -0.103 0.000 0.628 94 A CB -0.670 18.280 19.000 -0.083 0.000 0.814 94 A HN 0.509 nan 8.150 nan 0.000 0.444 95 S N -0.465 115.192 115.700 -0.072 0.000 2.356 95 S HA -0.140 4.329 4.470 -0.001 0.000 0.223 95 S C 1.907 176.484 174.600 -0.040 0.000 1.032 95 S CA 1.466 59.639 58.200 -0.045 0.000 1.005 95 S CB -0.488 62.690 63.200 -0.037 0.000 0.867 95 S HN 0.357 nan 8.310 nan 0.000 0.449 96 V N 1.994 121.876 119.914 -0.054 0.000 2.295 96 V HA -0.211 3.908 4.120 -0.001 0.000 0.246 96 V C 2.656 178.730 176.094 -0.033 0.000 1.049 96 V CA 1.748 64.024 62.300 -0.040 0.000 1.024 96 V CB -1.212 30.581 31.823 -0.049 0.000 0.648 96 V HN 0.546 nan 8.190 nan 0.000 0.447 97 A N 0.403 123.196 122.820 -0.045 0.000 1.940 97 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 97 A C 2.400 179.973 177.584 -0.018 0.000 1.176 97 A CA 2.001 54.019 52.037 -0.031 0.000 0.631 97 A CB -1.189 17.788 19.000 -0.038 0.000 0.814 97 A HN 0.547 nan 8.150 nan 0.000 0.446 98 G N -0.668 108.120 108.800 -0.019 0.000 2.418 98 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.217 98 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.217 98 G C 1.502 176.398 174.900 -0.006 0.000 1.158 98 G CA 1.200 46.294 45.100 -0.010 0.000 0.771 98 G HN 0.317 nan 8.290 nan 0.000 0.545 99 V N 1.133 121.042 119.914 -0.009 0.000 2.307 99 V HA -0.126 3.994 4.120 -0.001 0.000 0.245 99 V C 2.925 179.017 176.094 -0.003 0.000 1.045 99 V CA 1.523 63.820 62.300 -0.005 0.000 1.024 99 V CB -0.499 31.321 31.823 -0.004 0.000 0.651 99 V HN 0.350 nan 8.190 nan 0.000 0.449 100 L N -0.425 120.795 121.223 -0.004 0.000 2.079 100 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 100 L C 2.521 179.390 176.870 -0.001 0.000 1.081 100 L CA 1.682 56.521 54.840 -0.002 0.000 0.752 100 L CB -0.755 41.303 42.059 -0.002 0.000 0.896 100 L HN 0.294 nan 8.230 nan 0.000 0.433 101 K N 0.134 120.534 120.400 -0.001 0.000 2.209 101 K HA -0.095 4.225 4.320 -0.001 0.000 0.204 101 K C 1.986 178.587 176.600 0.000 0.000 1.048 101 K CA 1.161 57.449 56.287 0.000 0.000 0.940 101 K CB -0.316 32.186 32.500 0.003 0.000 0.729 101 K HN 0.418 nan 8.250 nan 0.000 0.451 102 G N 0.622 109.422 108.800 0.000 0.000 2.777 102 G HA2 0.065 4.024 3.960 -0.001 0.000 0.211 102 G HA3 0.065 4.024 3.960 -0.001 0.000 0.211 102 G C 0.558 175.458 174.900 -0.000 0.000 1.149 102 G CA -0.108 44.992 45.100 0.000 0.000 0.785 102 G HN -0.010 nan 8.290 nan 0.000 0.536 103 L N -0.317 120.906 121.223 -0.000 0.000 2.454 103 L HA 0.330 4.670 4.340 -0.001 0.000 0.256 103 L C 0.832 177.701 176.870 -0.001 0.000 1.136 103 L CA -0.754 54.086 54.840 0.000 0.000 0.804 103 L CB 0.968 43.028 42.059 0.001 0.000 1.181 103 L HN -0.076 nan 8.230 nan 0.000 0.469 104 N N 0.069 118.768 118.700 -0.001 0.000 2.327 104 N HA 0.114 4.853 4.740 -0.001 0.000 0.231 104 N C -0.037 175.473 175.510 -0.001 0.000 1.130 104 N CA -0.154 52.895 53.050 -0.001 0.000 0.845 104 N CB 0.252 38.738 38.487 -0.002 0.000 1.073 104 N HN 0.685 nan 8.380 nan 0.000 0.496 105 G N -1.107 107.693 108.800 0.000 0.000 2.372 105 G HA2 0.477 4.436 3.960 -0.001 0.000 0.283 105 G HA3 0.477 4.436 3.960 -0.001 0.000 0.283 105 G C 0.747 175.647 174.900 0.001 0.000 1.177 105 G CA -0.277 44.823 45.100 0.001 0.000 0.842 105 G HN 0.271 nan 8.290 nan 0.000 0.503 106 A N 1.847 124.667 122.820 0.001 0.000 2.119 106 A HA 0.258 4.577 4.320 -0.001 0.000 0.216 106 A C 0.999 178.584 177.584 0.001 0.000 1.152 106 A CA 1.406 53.443 52.037 0.000 0.000 0.708 106 A CB -0.135 18.864 19.000 -0.001 0.000 0.805 106 A HN 0.731 nan 8.150 nan 0.000 0.460 107 D N -2.935 117.467 120.400 0.003 0.000 2.664 107 D HA 0.694 5.333 4.640 -0.001 0.000 0.292 107 D C -0.688 175.616 176.300 0.007 0.000 1.214 107 D CA -0.011 53.992 54.000 0.005 0.000 0.932 107 D CB 1.089 41.892 40.800 0.004 0.000 1.420 107 D HN 0.394 nan 8.370 nan 0.000 0.471 108 A N -0.561 122.264 122.820 0.009 0.000 2.606 108 A HA 0.637 4.956 4.320 -0.001 0.000 0.293 108 A C -1.691 175.903 177.584 0.017 0.000 1.082 108 A CA -0.724 51.321 52.037 0.012 0.000 0.685 108 A CB 1.820 20.827 19.000 0.012 0.000 1.284 108 A HN 0.454 nan 8.150 nan 0.000 0.408 109 V N 1.952 121.879 119.914 0.021 0.000 2.409 109 V HA 0.413 4.533 4.120 -0.001 0.000 0.291 109 V C -0.575 175.544 176.094 0.042 0.000 1.020 109 V CA -0.295 62.022 62.300 0.028 0.000 0.848 109 V CB 1.349 33.186 31.823 0.024 0.000 0.990 109 V HN 0.694 nan 8.190 nan 0.000 0.430 110 L N 4.561 125.819 121.223 0.059 0.000 2.257 110 L HA 0.684 5.023 4.340 -0.001 0.000 0.290 110 L C 0.498 177.437 176.870 0.114 0.000 1.044 110 L CA -0.389 54.505 54.840 0.090 0.000 0.810 110 L CB 1.414 43.544 42.059 0.118 0.000 1.193 110 L HN 0.720 nan 8.230 nan 0.000 0.425 111 A N 5.765 128.649 122.820 0.107 0.000 3.056 111 A HA 0.540 4.859 4.320 -0.001 0.000 0.328 111 A C 0.367 178.033 177.584 0.136 0.000 1.233 111 A CA -0.324 51.779 52.037 0.110 0.000 0.965 111 A CB -0.121 18.923 19.000 0.072 0.000 1.123 111 A HN 0.817 nan 8.150 nan 0.000 0.502 112 L N 0.131 121.478 121.223 0.206 0.000 3.017 112 L HA 0.158 4.497 4.340 -0.001 0.000 0.255 112 L C 1.288 178.272 176.870 0.189 0.000 1.247 112 L CA -0.029 54.942 54.840 0.217 0.000 1.038 112 L CB 0.247 42.501 42.059 0.326 0.000 1.380 112 L HN 0.608 nan 8.230 nan 0.000 0.548 113 D N 0.894 121.404 120.400 0.184 0.000 2.182 113 D HA -0.226 4.413 4.640 -0.001 0.000 0.201 113 D C 1.485 177.815 176.300 0.050 0.000 0.986 113 D CA 1.400 55.495 54.000 0.159 0.000 0.847 113 D CB 0.374 41.262 40.800 0.147 0.000 0.942 113 D HN 0.223 nan 8.370 nan 0.000 0.467 114 D N -0.520 119.900 120.400 0.033 0.000 2.347 114 D HA -0.020 4.619 4.640 -0.001 0.000 0.215 114 D C 0.070 176.335 176.300 -0.059 0.000 0.976 114 D CA 0.136 54.132 54.000 -0.008 0.000 0.884 114 D CB 0.260 41.065 40.800 0.008 0.000 0.915 114 D HN 0.094 nan 8.370 nan 0.000 0.526 115 V N 1.798 121.658 119.914 -0.090 0.000 2.446 115 V HA 0.259 4.378 4.120 -0.001 0.000 0.276 115 V C 0.649 176.541 176.094 -0.337 0.000 1.030 115 V CA -0.711 61.478 62.300 -0.185 0.000 1.033 115 V CB 0.537 32.252 31.823 -0.180 0.000 0.993 115 V HN 0.057 nan 8.190 nan 0.000 0.477 116 A N 5.809 128.472 122.820 -0.262 0.000 2.363 116 A HA 0.672 4.991 4.320 -0.001 0.000 0.270 116 A C -0.337 177.032 177.584 -0.358 0.000 1.121 116 A CA -0.355 51.512 52.037 -0.283 0.000 0.800 116 A CB 0.711 19.607 19.000 -0.174 0.000 1.052 116 A HN 0.670 nan 8.150 nan 0.000 0.493 117 V N 3.435 123.096 119.914 -0.422 0.000 2.448 117 V HA 0.189 4.308 4.120 -0.001 0.000 0.295 117 V C 0.256 176.215 176.094 -0.226 0.000 1.025 117 V CA -0.996 61.062 62.300 -0.403 0.000 0.859 117 V CB 1.422 32.847 31.823 -0.663 0.000 0.988 117 V HN 0.964 nan 8.190 nan 0.000 0.431 118 N N 4.884 123.496 118.700 -0.148 0.000 2.411 118 N HA -0.006 4.733 4.740 -0.001 0.000 0.261 118 N C 0.870 176.337 175.510 -0.072 0.000 1.248 118 N CA 0.847 53.842 53.050 -0.091 0.000 0.885 118 N CB -0.076 38.375 38.487 -0.059 0.000 1.062 118 N HN 0.700 nan 8.380 nan 0.000 0.471 119 N N 0.780 119.445 118.700 -0.058 0.000 2.713 119 N HA -0.227 4.512 4.740 -0.001 0.000 0.251 119 N C -1.097 174.394 175.510 -0.032 0.000 1.117 119 N CA 0.779 53.808 53.050 -0.035 0.000 0.770 119 N CB -0.590 37.888 38.487 -0.015 0.000 1.137 119 N HN 0.601 nan 8.380 nan 0.000 0.566 120 R N 1.765 122.228 120.500 -0.062 0.000 2.393 120 R HA 0.183 4.522 4.340 -0.001 0.000 0.315 120 R C -0.030 176.226 176.300 -0.074 0.000 0.952 120 R CA -0.699 55.365 56.100 -0.060 0.000 0.842 120 R CB 1.079 31.306 30.300 -0.122 0.000 1.163 120 R HN 0.167 nan 8.270 nan 0.000 0.450 121 D N 1.418 121.806 120.400 -0.020 0.000 2.400 121 D HA -0.021 4.619 4.640 -0.001 0.000 0.238 121 D C 0.867 177.103 176.300 -0.106 0.000 1.157 121 D CA -0.211 53.764 54.000 -0.041 0.000 0.889 121 D CB 0.672 41.495 40.800 0.037 0.000 1.199 121 D HN 0.429 nan 8.370 nan 0.000 0.436 122 A N 1.355 124.030 122.820 -0.241 0.000 2.172 122 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 122 A C 1.408 178.848 177.584 -0.240 0.000 1.154 122 A CA 1.087 52.905 52.037 -0.365 0.000 0.701 122 A CB -0.534 18.154 19.000 -0.521 0.000 0.789 122 A HN 0.694 nan 8.150 nan 0.000 0.465 123 H N -4.034 115.153 119.070 0.195 0.000 2.373 123 H HA 0.122 4.677 4.556 -0.001 0.000 0.290 123 H C 1.721 177.246 175.328 0.329 0.000 0.989 123 H CA 1.236 57.447 56.048 0.272 0.000 1.250 123 H CB -0.536 29.317 29.762 0.152 0.000 1.477 123 H HN 0.530 nan 8.280 nan 0.000 0.551 124 Y N 1.490 121.936 120.300 0.243 0.000 2.190 124 Y HA 0.151 4.700 4.550 -0.001 0.000 0.290 124 Y C 2.640 178.640 175.900 0.167 0.000 1.115 124 Y CA 1.537 59.747 58.100 0.183 0.000 1.107 124 Y CB -0.543 37.991 38.460 0.123 0.000 1.033 124 Y HN 0.143 nan 8.280 nan 0.000 0.502 125 G N 0.477 109.364 108.800 0.145 0.000 2.418 125 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.217 125 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.217 125 G C 1.710 176.593 174.900 -0.028 0.000 1.158 125 G CA 1.093 46.204 45.100 0.018 0.000 0.771 125 G HN 0.400 nan 8.290 nan 0.000 0.545 126 K N -0.679 119.689 120.400 -0.053 0.000 2.032 126 K HA -0.125 4.194 4.320 -0.001 0.000 0.209 126 K C 2.133 178.722 176.600 -0.019 0.000 1.048 126 K CA 1.311 57.492 56.287 -0.177 0.000 0.927 126 K CB -0.305 31.926 32.500 -0.449 0.000 0.712 126 K HN 0.417 nan 8.250 nan 0.000 0.441 127 Y N 0.367 120.731 120.300 0.107 0.000 2.475 127 Y HA 0.087 4.636 4.550 -0.001 0.000 0.289 127 Y C 2.281 178.180 175.900 -0.003 0.000 1.121 127 Y CA 0.198 58.365 58.100 0.112 0.000 1.257 127 Y CB 0.176 38.689 38.460 0.088 0.000 1.026 127 Y HN -0.016 nan 8.280 nan 0.000 0.555 128 R N -0.105 120.374 120.500 -0.035 0.000 2.096 128 R HA -0.179 4.160 4.340 -0.001 0.000 0.240 128 R C 1.896 178.196 176.300 -0.001 0.000 1.139 128 R CA 1.253 57.287 56.100 -0.110 0.000 0.952 128 R CB -0.884 29.263 30.300 -0.256 0.000 0.854 128 R HN 0.332 nan 8.270 nan 0.000 0.436 129 L N 0.451 121.706 121.223 0.053 0.000 2.072 129 L HA -0.074 4.266 4.340 -0.001 0.000 0.205 129 L C 2.496 179.343 176.870 -0.038 0.000 1.079 129 L CA 1.081 55.953 54.840 0.053 0.000 0.752 129 L CB -0.801 41.363 42.059 0.176 0.000 0.906 129 L HN 0.125 nan 8.230 nan 0.000 0.436 130 L N -0.786 120.429 121.223 -0.013 0.000 1.994 130 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 130 L C 2.525 179.364 176.870 -0.052 0.000 1.071 130 L CA 1.730 56.467 54.840 -0.171 0.000 0.745 130 L CB -0.362 41.660 42.059 -0.060 0.000 0.892 130 L HN 0.231 nan 8.230 nan 0.000 0.431 131 A N -0.614 122.238 122.820 0.054 0.000 1.902 131 A HA -0.279 4.040 4.320 -0.001 0.000 0.217 131 A C 2.245 179.839 177.584 0.016 0.000 1.181 131 A CA 1.817 53.885 52.037 0.051 0.000 0.623 131 A CB -0.739 18.307 19.000 0.077 0.000 0.818 131 A HN 0.642 nan 8.150 nan 0.000 0.443 132 E N -0.818 119.386 120.200 0.008 0.000 2.077 132 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 132 E C 1.947 178.535 176.600 -0.020 0.000 0.989 132 E CA 1.624 58.025 56.400 0.001 0.000 0.800 132 E CB -0.148 29.554 29.700 0.003 0.000 0.746 132 E HN 0.539 nan 8.360 nan 0.000 0.452 133 T N 1.411 115.932 114.554 -0.055 0.000 2.708 133 T HA -0.162 4.188 4.350 -0.001 0.000 0.266 133 T C 1.747 176.413 174.700 -0.057 0.000 1.037 133 T CA 1.138 63.192 62.100 -0.077 0.000 1.146 133 T CB -0.275 68.504 68.868 -0.149 0.000 0.865 133 T HN 0.120 nan 8.240 nan 0.000 0.435 134 L N 0.888 122.076 121.223 -0.058 0.000 1.989 134 L HA 0.011 4.350 4.340 -0.001 0.000 0.211 134 L C 2.148 179.020 176.870 0.002 0.000 1.071 134 L CA 1.714 56.535 54.840 -0.032 0.000 0.749 134 L CB -0.697 41.348 42.059 -0.024 0.000 0.890 134 L HN 0.253 nan 8.230 nan 0.000 0.431 135 L N -0.899 120.333 121.223 0.015 0.000 2.072 135 L HA -0.152 4.187 4.340 -0.001 0.000 0.205 135 L C 2.254 179.160 176.870 0.060 0.000 1.079 135 L CA 1.458 56.321 54.840 0.038 0.000 0.752 135 L CB -0.651 41.433 42.059 0.042 0.000 0.906 135 L HN 0.328 nan 8.230 nan 0.000 0.436 136 D N 0.154 120.583 120.400 0.047 0.000 2.178 136 D HA -0.135 4.504 4.640 -0.001 0.000 0.202 136 D C 2.125 178.476 176.300 0.086 0.000 0.974 136 D CA 1.167 55.203 54.000 0.060 0.000 0.841 136 D CB 0.023 40.830 40.800 0.012 0.000 0.953 136 D HN 0.200 nan 8.370 nan 0.000 0.478 137 G N -0.210 108.622 108.800 0.052 0.000 2.509 137 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.218 137 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.218 137 G C 1.395 176.345 174.900 0.083 0.000 1.124 137 G CA 0.210 45.343 45.100 0.055 0.000 0.776 137 G HN 0.223 nan 8.290 nan 0.000 0.547 138 E N -0.463 119.791 120.200 0.090 0.000 2.427 138 E HA -0.018 4.331 4.350 -0.001 0.000 0.196 138 E C 0.100 176.766 176.600 0.110 0.000 1.028 138 E CA -0.431 56.016 56.400 0.080 0.000 0.864 138 E CB -0.097 29.639 29.700 0.060 0.000 0.813 138 E HN 0.538 nan 8.360 nan 0.000 0.514 139 Y N 1.303 121.629 120.300 0.043 0.000 2.717 139 Y HA -0.025 4.524 4.550 -0.002 0.000 0.330 139 Y C -0.243 175.706 175.900 0.082 0.000 1.217 139 Y CA 0.251 58.392 58.100 0.068 0.000 1.506 139 Y CB 0.389 38.892 38.460 0.071 0.000 1.268 139 Y HN -0.350 nan 8.280 nan 0.000 0.561 140 V N 8.301 127.889 119.914 -0.543 0.000 2.638 140 V HA 0.277 4.396 4.120 -0.001 0.000 0.306 140 V C -1.230 174.556 176.094 -0.513 0.000 1.052 140 V CA -0.990 61.091 62.300 -0.365 0.000 0.885 140 V CB 1.669 33.386 31.823 -0.178 0.000 0.999 140 V HN 0.618 nan 8.190 nan 0.000 0.424 141 F N 5.267 124.998 119.950 -0.365 0.000 2.564 141 F HA 0.475 5.000 4.527 -0.002 0.000 0.361 141 F C 0.465 176.242 175.800 -0.038 0.000 1.161 141 F CA -0.961 56.935 58.000 -0.173 0.000 1.198 141 F CB 0.871 39.915 39.000 0.073 0.000 1.424 141 F HN 0.649 nan 8.300 nan 0.000 0.517 142 D N 2.498 122.721 120.400 -0.295 0.000 2.440 142 D HA 0.021 4.660 4.640 -0.001 0.000 0.216 142 D C 1.620 177.716 176.300 -0.339 0.000 1.150 142 D CA -0.171 53.699 54.000 -0.217 0.000 0.832 142 D CB -0.232 40.492 40.800 -0.128 0.000 0.992 142 D HN 0.606 nan 8.370 nan 0.000 0.502 143 R N -0.048 120.076 120.500 -0.628 0.000 2.193 143 R HA -0.035 4.304 4.340 -0.001 0.000 0.229 143 R C 0.512 176.359 176.300 -0.756 0.000 1.110 143 R CA 0.826 56.501 56.100 -0.709 0.000 0.988 143 R CB -0.779 28.981 30.300 -0.899 0.000 0.871 143 R HN 0.069 nan 8.270 nan 0.000 0.458 144 F N 1.051 120.837 119.950 -0.274 0.000 2.727 144 F HA 0.327 4.853 4.527 -0.001 0.000 0.302 144 F C 0.371 176.112 175.800 -0.098 0.000 1.097 144 F CA -0.245 57.667 58.000 -0.147 0.000 1.330 144 F CB 0.325 39.268 39.000 -0.096 0.000 1.084 144 F HN -0.258 nan 8.300 nan 0.000 0.578 145 K N 0.170 120.565 120.400 -0.008 0.000 2.205 145 K HA 0.275 4.594 4.320 -0.001 0.000 0.279 145 K C 1.045 177.625 176.600 -0.034 0.000 1.027 145 K CA -0.037 56.249 56.287 -0.003 0.000 0.932 145 K CB 1.647 34.137 32.500 -0.017 0.000 1.032 145 K HN -0.080 nan 8.250 nan 0.000 0.466 146 S N 1.737 117.428 115.700 -0.015 0.000 2.387 146 S HA -0.081 4.388 4.470 -0.001 0.000 0.226 146 S C 0.350 174.933 174.600 -0.029 0.000 1.026 146 S CA 0.958 59.143 58.200 -0.024 0.000 0.972 146 S CB 0.155 63.349 63.200 -0.011 0.000 0.814 146 S HN 0.476 nan 8.310 nan 0.000 0.477 147 Q N 1.670 121.456 119.800 -0.022 0.000 2.331 147 Q HA 0.271 4.610 4.340 -0.001 0.000 0.257 147 Q C -0.728 175.253 176.000 -0.031 0.000 0.957 147 Q CA -0.441 55.347 55.803 -0.024 0.000 0.923 147 Q CB 0.915 29.645 28.738 -0.014 0.000 1.212 147 Q HN 0.028 nan 8.270 nan 0.000 0.443 148 K N 1.261 121.635 120.400 -0.043 0.000 2.202 148 K HA 0.155 4.474 4.320 -0.001 0.000 0.264 148 K C 0.140 176.716 176.600 -0.040 0.000 1.010 148 K CA -0.429 55.825 56.287 -0.054 0.000 0.940 148 K CB 0.814 33.274 32.500 -0.066 0.000 0.983 148 K HN 0.552 nan 8.250 nan 0.000 0.475 149 V N -0.647 119.242 119.914 -0.043 0.000 2.617 149 V HA -0.015 4.104 4.120 -0.001 0.000 0.304 149 V C 0.397 176.473 176.094 -0.031 0.000 1.040 149 V CA -0.141 62.141 62.300 -0.030 0.000 1.149 149 V CB -0.153 31.651 31.823 -0.031 0.000 0.914 149 V HN 0.639 nan 8.190 nan 0.000 0.487 150 E N 6.341 126.528 120.200 -0.022 0.000 2.415 150 E HA 0.200 4.550 4.350 -0.001 0.000 0.260 150 E C -2.047 174.540 176.600 -0.021 0.000 1.016 150 E CA -1.168 55.220 56.400 -0.020 0.000 0.924 150 E CB 0.424 30.116 29.700 -0.014 0.000 0.961 150 E HN 0.760 nan 8.360 nan 0.000 0.459 151 P HA 0.031 nan 4.420 nan 0.000 0.270 151 P C -0.623 176.667 177.300 -0.017 0.000 1.223 151 P CA 0.133 63.219 63.100 -0.024 0.000 0.785 151 P CB 0.625 32.310 31.700 -0.026 0.000 0.923 152 R N 0.510 121.001 120.500 -0.014 0.000 2.536 152 R HA 0.512 4.851 4.340 -0.001 0.000 0.279 152 R C 1.241 177.537 176.300 -0.008 0.000 1.001 152 R CA -0.486 55.609 56.100 -0.009 0.000 1.027 152 R CB 1.016 31.312 30.300 -0.006 0.000 1.096 152 R HN 0.472 nan 8.270 nan 0.000 0.502 153 A N 2.845 125.662 122.820 -0.006 0.000 1.968 153 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 153 A C 0.789 178.372 177.584 -0.003 0.000 1.169 153 A CA 0.559 52.593 52.037 -0.005 0.000 0.638 153 A CB -0.193 18.805 19.000 -0.003 0.000 0.812 153 A HN 0.484 nan 8.150 nan 0.000 0.446 154 L N 0.479 121.701 121.223 -0.002 0.000 2.530 154 L HA 0.156 4.495 4.340 -0.001 0.000 0.273 154 L C 0.712 177.582 176.870 0.001 0.000 1.141 154 L CA 0.713 55.554 54.840 0.001 0.000 0.905 154 L CB 0.341 42.401 42.059 0.002 0.000 1.202 154 L HN 0.228 nan 8.230 nan 0.000 0.473 155 K N 3.636 124.037 120.400 0.001 0.000 2.412 155 K HA 0.218 4.537 4.320 -0.001 0.000 0.202 155 K C -0.215 176.387 176.600 0.004 0.000 1.102 155 K CA -0.085 56.203 56.287 0.001 0.000 1.027 155 K CB 0.683 33.182 32.500 -0.001 0.000 0.931 155 K HN 0.485 nan 8.250 nan 0.000 0.557 156 K N 1.078 121.481 120.400 0.005 0.000 2.543 156 K HA 0.324 4.643 4.320 -0.001 0.000 0.255 156 K C -1.835 174.770 176.600 0.008 0.000 0.934 156 K CA -0.566 55.724 56.287 0.006 0.000 0.810 156 K CB 2.245 34.748 32.500 0.004 0.000 1.315 156 K HN -0.220 nan 8.250 nan 0.000 0.433 157 V N 2.420 122.340 119.914 0.010 0.000 2.656 157 V HA 0.459 4.578 4.120 -0.001 0.000 0.307 157 V C -0.701 175.400 176.094 0.012 0.000 1.051 157 V CA -0.657 61.651 62.300 0.014 0.000 0.893 157 V CB 2.150 33.984 31.823 0.018 0.000 0.999 157 V HN 0.866 nan 8.190 nan 0.000 0.426 158 T N 6.027 120.589 114.554 0.013 0.000 2.779 158 T HA 0.626 4.975 4.350 -0.001 0.000 0.280 158 T C -0.397 174.310 174.700 0.013 0.000 0.987 158 T CA -0.309 61.794 62.100 0.006 0.000 0.966 158 T CB 0.846 69.716 68.868 0.003 0.000 0.933 158 T HN 0.355 nan 8.240 nan 0.000 0.442 159 L N 3.996 125.215 121.223 -0.006 0.000 2.289 159 L HA 0.529 4.868 4.340 -0.001 0.000 0.285 159 L C -0.271 176.572 176.870 -0.044 0.000 1.049 159 L CA -0.851 53.982 54.840 -0.012 0.000 0.804 159 L CB 0.851 42.854 42.059 -0.093 0.000 1.195 159 L HN 0.369 nan 8.230 nan 0.000 0.428 160 L N 3.445 124.669 121.223 0.001 0.000 2.289 160 L HA 0.793 5.132 4.340 -0.001 0.000 0.285 160 L C 0.129 176.998 176.870 -0.003 0.000 1.049 160 L CA -0.212 54.627 54.840 -0.003 0.000 0.804 160 L CB 1.562 43.638 42.059 0.028 0.000 1.195 160 L HN 0.772 nan 8.230 nan 0.000 0.428 161 A N 1.946 124.746 122.820 -0.032 0.000 2.569 161 A HA 0.646 4.965 4.320 -0.001 0.000 0.290 161 A C -1.459 176.120 177.584 -0.009 0.000 1.136 161 A CA -0.750 51.283 52.037 -0.006 0.000 0.710 161 A CB 1.564 20.515 19.000 -0.081 0.000 1.303 161 A HN 0.743 nan 8.150 nan 0.000 0.413 162 D N 0.214 120.623 120.400 0.016 0.000 2.358 162 D HA 0.264 4.903 4.640 -0.001 0.000 0.244 162 D C 0.738 176.999 176.300 -0.065 0.000 1.163 162 D CA -0.442 53.555 54.000 -0.005 0.000 0.945 162 D CB 0.672 41.493 40.800 0.035 0.000 1.152 162 D HN 0.303 nan 8.370 nan 0.000 0.451 163 K N 0.911 121.280 120.400 -0.050 0.000 2.044 163 K HA -0.201 4.119 4.320 -0.001 0.000 0.210 163 K C 2.006 178.548 176.600 -0.096 0.000 1.049 163 K CA 1.662 57.911 56.287 -0.063 0.000 0.927 163 K CB -0.832 31.646 32.500 -0.038 0.000 0.713 163 K HN 0.632 nan 8.250 nan 0.000 0.443 164 A N 0.821 123.585 122.820 -0.094 0.000 1.940 164 A HA -0.097 4.222 4.320 -0.001 0.000 0.219 164 A C 2.312 179.755 177.584 -0.234 0.000 1.176 164 A CA 2.083 54.054 52.037 -0.109 0.000 0.631 164 A CB -0.761 18.210 19.000 -0.048 0.000 0.814 164 A HN 0.428 nan 8.150 nan 0.000 0.446 165 G N -1.569 106.946 108.800 -0.474 0.000 3.042 165 G HA2 0.094 4.053 3.960 -0.001 0.000 0.212 165 G HA3 0.094 4.053 3.960 -0.001 0.000 0.212 165 G C 1.279 175.895 174.900 -0.473 0.000 1.166 165 G CA 0.678 45.191 45.100 -0.979 0.000 0.767 165 G HN 0.614 nan 8.290 nan 0.000 0.546 166 Q N 0.423 120.061 119.800 -0.269 0.000 2.096 166 Q HA -0.084 4.256 4.340 -0.001 0.000 0.204 166 Q C 2.659 178.587 176.000 -0.121 0.000 0.982 166 Q CA 1.781 57.483 55.803 -0.168 0.000 0.850 166 Q CB -0.228 28.440 28.738 -0.116 0.000 0.901 166 Q HN 0.373 nan 8.270 nan 0.000 0.422 167 A N 0.417 123.177 122.820 -0.101 0.000 1.969 167 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 167 A C 1.901 179.466 177.584 -0.032 0.000 1.169 167 A CA 1.349 53.349 52.037 -0.061 0.000 0.635 167 A CB -0.384 18.585 19.000 -0.051 0.000 0.810 167 A HN 0.360 nan 8.150 nan 0.000 0.445 168 E N -0.101 120.087 120.200 -0.019 0.000 2.107 168 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 168 E C 2.180 178.870 176.600 0.151 0.000 0.982 168 E CA 1.120 57.575 56.400 0.092 0.000 0.809 168 E CB -0.344 29.444 29.700 0.148 0.000 0.756 168 E HN 0.390 nan 8.360 nan 0.000 0.459 169 V N 1.446 121.382 119.914 0.038 0.000 2.427 169 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 169 V C 2.122 178.195 176.094 -0.035 0.000 1.051 169 V CA 1.650 63.929 62.300 -0.034 0.000 1.048 169 V CB -0.432 31.224 31.823 -0.278 0.000 0.666 169 V HN 0.236 nan 8.190 nan 0.000 0.456 170 E N -0.062 120.111 120.200 -0.044 0.000 2.110 170 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 170 E C 2.431 179.012 176.600 -0.032 0.000 0.988 170 E CA 1.212 57.589 56.400 -0.040 0.000 0.804 170 E CB -0.174 29.500 29.700 -0.044 0.000 0.745 170 E HN 0.460 nan 8.360 nan 0.000 0.458 171 R N 0.605 121.098 120.500 -0.013 0.000 2.092 171 R HA -0.098 4.241 4.340 -0.001 0.000 0.231 171 R C 2.257 178.518 176.300 -0.065 0.000 1.119 171 R CA 1.148 57.198 56.100 -0.084 0.000 0.970 171 R CB -0.135 30.134 30.300 -0.052 0.000 0.864 171 R HN 0.122 nan 8.270 nan 0.000 0.440 172 A N 0.270 123.151 122.820 0.102 0.000 1.877 172 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 172 A C 2.233 179.799 177.584 -0.031 0.000 1.186 172 A CA 1.684 53.659 52.037 -0.103 0.000 0.620 172 A CB -0.641 18.275 19.000 -0.139 0.000 0.822 172 A HN 0.220 nan 8.150 nan 0.000 0.443 173 V N 0.359 120.272 119.914 -0.001 0.000 2.343 173 V HA -0.287 3.832 4.120 -0.001 0.000 0.247 173 V C 2.541 178.650 176.094 0.025 0.000 1.051 173 V CA 2.406 64.716 62.300 0.016 0.000 1.036 173 V CB -0.694 31.131 31.823 0.004 0.000 0.654 173 V HN 0.695 nan 8.190 nan 0.000 0.451 174 K N -0.470 119.928 120.400 -0.004 0.000 2.032 174 K HA -0.234 4.085 4.320 -0.001 0.000 0.209 174 K C 2.140 178.829 176.600 0.148 0.000 1.048 174 K CA 2.152 58.459 56.287 0.033 0.000 0.927 174 K CB -0.293 32.193 32.500 -0.022 0.000 0.712 174 K HN 0.663 nan 8.250 nan 0.000 0.441 175 H N -0.864 118.259 119.070 0.089 0.000 2.326 175 H HA -0.050 4.505 4.556 -0.001 0.000 0.301 175 H C 2.114 177.469 175.328 0.046 0.000 1.081 175 H CA 0.664 56.762 56.048 0.083 0.000 1.334 175 H CB 0.030 29.880 29.762 0.146 0.000 1.385 175 H HN 0.384 nan 8.280 nan 0.000 0.504 176 A N 0.654 123.564 122.820 0.150 0.000 1.940 176 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 176 A C 2.471 180.099 177.584 0.074 0.000 1.176 176 A CA 1.847 53.932 52.037 0.080 0.000 0.631 176 A CB -0.580 18.448 19.000 0.047 0.000 0.814 176 A HN 0.296 nan 8.150 nan 0.000 0.446 177 S N -0.179 115.567 115.700 0.077 0.000 2.368 177 S HA -0.013 4.456 4.470 -0.001 0.000 0.224 177 S C 2.313 176.955 174.600 0.069 0.000 1.029 177 S CA 1.131 59.370 58.200 0.065 0.000 0.988 177 S CB -0.460 62.774 63.200 0.057 0.000 0.838 177 S HN 0.803 nan 8.310 nan 0.000 0.462 178 A N 1.528 124.397 122.820 0.082 0.000 1.877 178 A HA -0.042 4.277 4.320 -0.001 0.000 0.216 178 A C 2.079 179.699 177.584 0.060 0.000 1.186 178 A CA 1.215 53.293 52.037 0.068 0.000 0.620 178 A CB -0.743 18.299 19.000 0.070 0.000 0.822 178 A HN 0.465 nan 8.150 nan 0.000 0.443 179 I N -0.195 120.411 120.570 0.061 0.000 2.163 179 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 179 I C 2.961 179.109 176.117 0.052 0.000 1.085 179 I CA 1.194 62.523 61.300 0.048 0.000 1.347 179 I CB -0.310 37.714 38.000 0.041 0.000 1.044 179 I HN 0.358 nan 8.210 nan 0.000 0.408 180 A N -0.042 122.810 122.820 0.054 0.000 1.933 180 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 180 A C 2.370 180.003 177.584 0.081 0.000 1.175 180 A CA 2.305 54.376 52.037 0.058 0.000 0.628 180 A CB -0.986 18.047 19.000 0.056 0.000 0.814 180 A HN 0.384 nan 8.150 nan 0.000 0.444 181 T N -0.328 114.275 114.554 0.082 0.000 2.777 181 T HA -0.013 4.336 4.350 -0.001 0.000 0.266 181 T C 1.996 176.774 174.700 0.130 0.000 1.040 181 T CA 1.375 63.532 62.100 0.094 0.000 1.141 181 T CB -0.594 68.314 68.868 0.066 0.000 0.868 181 T HN 0.579 nan 8.240 nan 0.000 0.444 182 G N 1.329 110.202 108.800 0.122 0.000 2.446 182 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 182 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 182 G C 1.567 176.564 174.900 0.162 0.000 1.168 182 G CA 0.821 46.023 45.100 0.169 0.000 0.771 182 G HN 0.411 nan 8.290 nan 0.000 0.551 183 M N 0.762 120.417 119.600 0.091 0.000 2.159 183 M HA -0.003 4.476 4.480 -0.001 0.000 0.263 183 M C 3.027 179.348 176.300 0.035 0.000 1.063 183 M CA 1.337 56.656 55.300 0.033 0.000 1.110 183 M CB -0.203 32.391 32.600 -0.009 0.000 1.374 183 M HN 0.321 nan 8.290 nan 0.000 0.411 184 A N 0.101 122.996 122.820 0.123 0.000 1.933 184 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 184 A C 1.978 179.762 177.584 0.334 0.000 1.175 184 A CA 1.301 53.482 52.037 0.239 0.000 0.628 184 A CB -0.879 18.316 19.000 0.324 0.000 0.814 184 A HN 0.491 nan 8.150 nan 0.000 0.444 185 F N 1.547 121.557 119.950 0.100 0.000 2.102 185 F HA -0.110 4.416 4.527 -0.002 0.000 0.298 185 F C 2.470 178.302 175.800 0.054 0.000 1.105 185 F CA 2.042 60.086 58.000 0.074 0.000 1.239 185 F CB -1.133 37.893 39.000 0.042 0.000 0.991 185 F HN 0.223 nan 8.300 nan 0.000 0.474 186 T N 1.008 115.587 114.554 0.041 0.000 2.684 186 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 186 T C 2.125 176.795 174.700 -0.051 0.000 1.036 186 T CA 1.932 63.985 62.100 -0.078 0.000 1.148 186 T CB -0.244 68.603 68.868 -0.034 0.000 0.863 186 T HN 0.241 nan 8.240 nan 0.000 0.436 187 R N 0.806 121.266 120.500 -0.066 0.000 2.075 187 R HA -0.063 4.276 4.340 -0.001 0.000 0.232 187 R C 2.289 178.568 176.300 -0.034 0.000 1.126 187 R CA 1.407 57.412 56.100 -0.158 0.000 0.963 187 R CB -0.268 29.683 30.300 -0.583 0.000 0.858 187 R HN 0.332 nan 8.270 nan 0.000 0.435 188 D N 0.822 121.326 120.400 0.174 0.000 2.097 188 D HA -0.136 4.503 4.640 -0.001 0.000 0.195 188 D C 1.975 178.337 176.300 0.103 0.000 0.989 188 D CA 1.113 55.264 54.000 0.252 0.000 0.827 188 D CB -0.171 40.899 40.800 0.450 0.000 0.966 188 D HN 0.154 nan 8.370 nan 0.000 0.456 189 L N 0.362 121.625 121.223 0.066 0.000 2.046 189 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 189 L C 2.564 179.424 176.870 -0.016 0.000 1.077 189 L CA 1.411 56.267 54.840 0.028 0.000 0.747 189 L CB -0.718 41.274 42.059 -0.112 0.000 0.896 189 L HN 0.090 nan 8.230 nan 0.000 0.432 190 G N -0.262 108.529 108.800 -0.015 0.000 2.402 190 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.216 190 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.216 190 G C 1.381 176.224 174.900 -0.096 0.000 1.162 190 G CA 0.526 45.653 45.100 0.044 0.000 0.777 190 G HN 0.304 nan 8.290 nan 0.000 0.539 191 N N 0.237 118.836 118.700 -0.169 0.000 2.396 191 N HA 0.050 4.789 4.740 -0.001 0.000 0.180 191 N C 0.968 176.259 175.510 -0.365 0.000 1.028 191 N CA -0.014 52.793 53.050 -0.406 0.000 0.893 191 N CB -0.108 37.755 38.487 -1.041 0.000 0.967 191 N HN 0.258 nan 8.380 nan 0.000 0.440 192 L N 2.725 123.855 121.223 -0.154 0.000 2.525 192 L HA 0.053 4.392 4.340 -0.001 0.000 0.278 192 L C -1.859 174.908 176.870 -0.172 0.000 1.218 192 L CA -1.243 53.630 54.840 0.054 0.000 0.878 192 L CB 0.038 42.108 42.059 0.019 0.000 1.127 192 L HN 0.007 nan 8.230 nan 0.000 0.492 193 P HA 0.137 nan 4.420 nan 0.000 0.274 193 P C -2.287 174.850 177.300 -0.272 0.000 1.237 193 P CA -1.641 61.269 63.100 -0.318 0.000 0.793 193 P CB 0.171 31.611 31.700 -0.433 0.000 0.977 194 P HA -0.106 nan 4.420 nan 0.000 0.229 194 P C 0.840 178.047 177.300 -0.155 0.000 1.160 194 P CA 1.095 64.087 63.100 -0.179 0.000 0.777 194 P CB -0.251 31.348 31.700 -0.167 0.000 0.814 195 N N 0.367 118.954 118.700 -0.189 0.000 2.381 195 N HA -0.087 4.653 4.740 -0.001 0.000 0.182 195 N C 1.595 177.057 175.510 -0.080 0.000 1.025 195 N CA 0.949 53.937 53.050 -0.105 0.000 0.888 195 N CB -1.036 37.377 38.487 -0.125 0.000 0.965 195 N HN 0.269 nan 8.380 nan 0.000 0.438 196 L N -0.439 120.651 121.223 -0.222 0.000 2.349 196 L HA 0.204 4.543 4.340 -0.001 0.000 0.200 196 L C 0.745 177.144 176.870 -0.785 0.000 1.064 196 L CA 0.009 54.611 54.840 -0.396 0.000 0.821 196 L CB 0.096 41.961 42.059 -0.323 0.000 1.027 196 L HN 0.116 nan 8.230 nan 0.000 0.476 197 C N 2.193 121.133 119.300 -0.599 0.000 2.262 197 C HA 0.319 4.778 4.460 -0.001 0.000 0.413 197 C C 0.421 175.313 174.990 -0.162 0.000 1.019 197 C CA -0.687 58.027 59.018 -0.506 0.000 1.320 197 C CB -2.277 25.284 27.740 -0.299 0.000 1.657 197 C HN 0.398 nan 8.230 nan 0.000 0.510 198 H N 3.332 122.460 119.070 0.098 0.000 2.771 198 H HA 0.599 5.154 4.556 -0.002 0.000 0.344 198 H C -2.350 173.093 175.328 0.191 0.000 1.260 198 H CA -2.637 53.483 56.048 0.119 0.000 1.276 198 H CB -0.488 29.321 29.762 0.078 0.000 1.881 198 H HN -0.077 nan 8.280 nan 0.000 0.615 199 P HA -0.124 nan 4.420 nan 0.000 0.216 199 P C 1.198 178.683 177.300 0.307 0.000 1.150 199 P CA 1.912 65.179 63.100 0.278 0.000 0.837 199 P CB 0.045 31.862 31.700 0.194 0.000 0.786 200 S N -0.965 114.958 115.700 0.371 0.000 2.382 200 S HA -0.163 4.306 4.470 -0.001 0.000 0.228 200 S C 1.662 176.476 174.600 0.356 0.000 1.027 200 S CA 0.926 59.310 58.200 0.307 0.000 0.991 200 S CB -1.163 62.153 63.200 0.192 0.000 0.823 200 S HN 0.136 nan 8.310 nan 0.000 0.469 201 F N 2.449 122.595 119.950 0.326 0.000 2.095 201 F HA -0.087 4.440 4.527 -0.001 0.000 0.298 201 F C 1.774 177.632 175.800 0.097 0.000 1.104 201 F CA 1.301 59.344 58.000 0.072 0.000 1.232 201 F CB -0.377 38.472 39.000 -0.252 0.000 0.987 201 F HN 0.087 nan 8.300 nan 0.000 0.475 202 L N -0.060 121.258 121.223 0.159 0.000 2.083 202 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 202 L C 2.812 179.776 176.870 0.158 0.000 1.083 202 L CA 1.024 55.941 54.840 0.129 0.000 0.752 202 L CB -1.236 41.011 42.059 0.313 0.000 0.899 202 L HN 0.287 nan 8.230 nan 0.000 0.433 203 A N -0.251 122.653 122.820 0.141 0.000 1.902 203 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 203 A C 2.208 179.835 177.584 0.071 0.000 1.181 203 A CA 1.443 53.552 52.037 0.121 0.000 0.623 203 A CB -0.311 18.753 19.000 0.107 0.000 0.818 203 A HN 0.321 nan 8.150 nan 0.000 0.443 204 E N -0.073 120.124 120.200 -0.004 0.000 2.110 204 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 204 E C 2.210 178.751 176.600 -0.099 0.000 0.988 204 E CA 0.984 57.353 56.400 -0.052 0.000 0.804 204 E CB -0.371 29.280 29.700 -0.082 0.000 0.745 204 E HN 0.598 nan 8.360 nan 0.000 0.458 205 Q N 0.192 119.855 119.800 -0.228 0.000 2.096 205 Q HA -0.094 4.245 4.340 -0.001 0.000 0.204 205 Q C 2.119 178.181 176.000 0.103 0.000 0.982 205 Q CA 1.469 57.159 55.803 -0.188 0.000 0.850 205 Q CB -0.414 28.060 28.738 -0.441 0.000 0.901 205 Q HN 0.256 nan 8.270 nan 0.000 0.422 206 A N 1.281 124.272 122.820 0.285 0.000 1.898 206 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 206 A C 2.102 179.811 177.584 0.208 0.000 1.181 206 A CA 1.427 53.698 52.037 0.390 0.000 0.620 206 A CB -0.312 18.869 19.000 0.301 0.000 0.819 206 A HN 0.249 nan 8.150 nan 0.000 0.442 207 K N -0.522 119.956 120.400 0.130 0.000 2.057 207 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 207 K C 2.119 178.768 176.600 0.082 0.000 1.049 207 K CA 1.557 57.899 56.287 0.093 0.000 0.931 207 K CB -0.146 32.392 32.500 0.064 0.000 0.714 207 K HN 0.709 nan 8.250 nan 0.000 0.440 208 E N 0.950 121.187 120.200 0.063 0.000 2.077 208 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 208 E C 2.047 178.690 176.600 0.073 0.000 0.989 208 E CA 0.779 57.204 56.400 0.040 0.000 0.800 208 E CB 0.034 29.734 29.700 -0.001 0.000 0.746 208 E HN 0.090 nan 8.360 nan 0.000 0.452 209 L N 0.529 121.831 121.223 0.132 0.000 2.046 209 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 209 L C 2.250 179.271 176.870 0.252 0.000 1.077 209 L CA 2.268 57.237 54.840 0.214 0.000 0.747 209 L CB -0.903 41.328 42.059 0.287 0.000 0.896 209 L HN 0.237 nan 8.230 nan 0.000 0.432 210 G N -0.914 107.998 108.800 0.188 0.000 2.440 210 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.218 210 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.218 210 G C 1.700 176.677 174.900 0.127 0.000 1.154 210 G CA 0.913 46.110 45.100 0.161 0.000 0.767 210 G HN 0.401 nan 8.290 nan 0.000 0.552 211 K N 0.467 120.919 120.400 0.086 0.000 2.148 211 K HA 0.102 4.421 4.320 -0.001 0.000 0.204 211 K C 2.682 179.286 176.600 0.006 0.000 1.050 211 K CA 0.861 57.175 56.287 0.044 0.000 0.942 211 K CB -0.098 32.418 32.500 0.027 0.000 0.724 211 K HN 0.291 nan 8.250 nan 0.000 0.446 212 A N 0.660 123.468 122.820 -0.020 0.000 2.169 212 A HA -0.026 4.293 4.320 -0.001 0.000 0.212 212 A C 0.052 177.386 177.584 -0.417 0.000 1.153 212 A CA 0.499 52.405 52.037 -0.218 0.000 0.756 212 A CB -0.022 18.805 19.000 -0.289 0.000 0.813 212 A HN 0.198 nan 8.150 nan 0.000 0.471 213 H N -0.892 118.206 119.070 0.048 0.000 2.924 213 H HA 0.239 4.794 4.556 -0.002 0.000 0.333 213 H C -0.076 175.302 175.328 0.084 0.000 0.979 213 H CA -0.542 55.547 56.048 0.068 0.000 1.326 213 H CB 1.527 31.338 29.762 0.082 0.000 1.600 213 H HN 0.211 nan 8.280 nan 0.000 0.520 214 K N 1.728 122.230 120.400 0.169 0.000 2.148 214 K HA -0.014 4.305 4.320 -0.001 0.000 0.204 214 K C 1.607 178.284 176.600 0.129 0.000 1.050 214 K CA 1.213 57.573 56.287 0.121 0.000 0.942 214 K CB 0.297 32.847 32.500 0.082 0.000 0.724 214 K HN 0.454 nan 8.250 nan 0.000 0.446 215 A N 0.862 123.787 122.820 0.175 0.000 2.278 215 A HA 0.081 4.400 4.320 -0.001 0.000 0.212 215 A C 0.266 177.952 177.584 0.171 0.000 1.213 215 A CA -0.000 52.109 52.037 0.121 0.000 0.840 215 A CB -0.035 19.014 19.000 0.081 0.000 0.866 215 A HN 0.133 nan 8.150 nan 0.000 0.489 216 L N 0.350 121.702 121.223 0.215 0.000 2.313 216 L HA 0.508 4.847 4.340 -0.001 0.000 0.283 216 L C -0.936 176.020 176.870 0.145 0.000 1.013 216 L CA -0.262 54.701 54.840 0.206 0.000 0.816 216 L CB 1.336 43.526 42.059 0.217 0.000 1.236 216 L HN -0.083 nan 8.230 nan 0.000 0.419 217 K N 4.520 124.993 120.400 0.120 0.000 2.292 217 K HA 0.629 4.949 4.320 -0.001 0.000 0.257 217 K C -1.394 175.267 176.600 0.102 0.000 0.940 217 K CA -0.614 55.735 56.287 0.103 0.000 0.811 217 K CB 2.389 34.944 32.500 0.091 0.000 1.120 217 K HN 0.382 nan 8.250 nan 0.000 0.428 218 V N 2.084 122.057 119.914 0.098 0.000 2.495 218 V HA 0.351 4.470 4.120 -0.001 0.000 0.298 218 V C -0.235 175.912 176.094 0.089 0.000 1.031 218 V CA -0.779 61.577 62.300 0.093 0.000 0.871 218 V CB 1.869 33.752 31.823 0.101 0.000 0.988 218 V HN 0.727 nan 8.190 nan 0.000 0.432 219 E N 3.157 123.411 120.200 0.090 0.000 2.248 219 E HA 0.714 5.063 4.350 -0.001 0.000 0.267 219 E C -1.890 174.749 176.600 0.066 0.000 0.877 219 E CA -0.542 55.909 56.400 0.086 0.000 0.759 219 E CB 2.393 32.163 29.700 0.117 0.000 1.182 219 E HN 0.445 nan 8.360 nan 0.000 0.418 220 V N 4.925 124.870 119.914 0.052 0.000 2.409 220 V HA 0.338 4.457 4.120 -0.001 0.000 0.291 220 V C -0.859 175.242 176.094 0.013 0.000 1.020 220 V CA -0.811 61.510 62.300 0.034 0.000 0.848 220 V CB 1.249 33.099 31.823 0.046 0.000 0.990 220 V HN 0.575 nan 8.190 nan 0.000 0.430 221 L N 5.771 126.979 121.223 -0.025 0.000 2.272 221 L HA 0.513 4.852 4.340 -0.001 0.000 0.289 221 L C 0.313 177.139 176.870 -0.073 0.000 1.032 221 L CA -0.176 54.629 54.840 -0.058 0.000 0.810 221 L CB 1.136 43.118 42.059 -0.128 0.000 1.205 221 L HN 0.798 nan 8.230 nan 0.000 0.422 222 D N 1.106 121.478 120.400 -0.048 0.000 2.478 222 D HA 0.043 4.682 4.640 -0.001 0.000 0.274 222 D C 0.847 177.108 176.300 -0.063 0.000 1.234 222 D CA -0.415 53.562 54.000 -0.040 0.000 1.069 222 D CB 0.504 41.299 40.800 -0.008 0.000 1.113 222 D HN 0.587 nan 8.370 nan 0.000 0.571 223 E N -0.603 119.581 120.200 -0.027 0.000 2.072 223 E HA -0.233 4.116 4.350 -0.001 0.000 0.191 223 E C 1.827 178.457 176.600 0.050 0.000 0.985 223 E CA 0.988 57.393 56.400 0.008 0.000 0.801 223 E CB 0.018 29.745 29.700 0.046 0.000 0.750 223 E HN 0.475 nan 8.360 nan 0.000 0.452 224 K N 0.687 121.105 120.400 0.029 0.000 2.097 224 K HA -0.220 4.099 4.320 -0.001 0.000 0.206 224 K C 2.177 178.763 176.600 -0.023 0.000 1.049 224 K CA 1.565 57.857 56.287 0.009 0.000 0.933 224 K CB -0.021 32.483 32.500 0.007 0.000 0.717 224 K HN -0.133 nan 8.250 nan 0.000 0.442 225 K N 1.303 121.685 120.400 -0.031 0.000 2.057 225 K HA -0.060 4.259 4.320 -0.001 0.000 0.207 225 K C 1.803 178.362 176.600 -0.068 0.000 1.049 225 K CA 1.446 57.709 56.287 -0.040 0.000 0.931 225 K CB -0.266 32.212 32.500 -0.036 0.000 0.714 225 K HN 0.239 nan 8.250 nan 0.000 0.440 226 I N 0.729 121.226 120.570 -0.122 0.000 2.163 226 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 226 I C 2.511 178.579 176.117 -0.082 0.000 1.085 226 I CA 1.480 62.669 61.300 -0.185 0.000 1.347 226 I CB -0.286 37.478 38.000 -0.394 0.000 1.044 226 I HN 0.249 nan 8.210 nan 0.000 0.408 227 K N 0.768 121.132 120.400 -0.060 0.000 2.026 227 K HA -0.233 4.086 4.320 -0.001 0.000 0.208 227 K C 1.597 178.126 176.600 -0.118 0.000 1.048 227 K CA 1.988 58.173 56.287 -0.170 0.000 0.929 227 K CB -0.044 32.241 32.500 -0.358 0.000 0.713 227 K HN 0.213 nan 8.250 nan 0.000 0.439 228 D N 0.672 121.025 120.400 -0.078 0.000 2.264 228 D HA -0.090 4.550 4.640 -0.001 0.000 0.208 228 D C 1.682 177.971 176.300 -0.019 0.000 0.966 228 D CA 0.697 54.668 54.000 -0.048 0.000 0.864 228 D CB 0.062 40.843 40.800 -0.033 0.000 0.933 228 D HN 0.249 nan 8.370 nan 0.000 0.499 229 L N -0.590 120.630 121.223 -0.005 0.000 2.478 229 L HA 0.093 4.432 4.340 -0.001 0.000 0.223 229 L C 1.452 178.344 176.870 0.037 0.000 1.140 229 L CA 0.595 55.456 54.840 0.035 0.000 0.842 229 L CB -0.116 41.989 42.059 0.076 0.000 0.953 229 L HN 0.144 nan 8.230 nan 0.000 0.452 230 G N -0.144 108.663 108.800 0.012 0.000 2.132 230 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.234 230 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.234 230 G C 0.312 175.246 174.900 0.057 0.000 0.989 230 G CA -0.244 44.869 45.100 0.022 0.000 0.676 230 G HN 0.255 nan 8.290 nan 0.000 0.522 231 M N 2.012 121.651 119.600 0.065 0.000 3.436 231 M HA 0.337 4.816 4.480 -0.001 0.000 0.240 231 M C 1.874 178.273 176.300 0.165 0.000 1.469 231 M CA 0.577 55.953 55.300 0.127 0.000 1.622 231 M CB 0.259 32.930 32.600 0.118 0.000 1.098 231 M HN 0.233 nan 8.290 nan 0.000 0.568 232 G N 0.678 109.563 108.800 0.143 0.000 2.422 232 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.218 232 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.218 232 G C 1.474 176.502 174.900 0.213 0.000 1.140 232 G CA 1.019 46.214 45.100 0.158 0.000 0.775 232 G HN 0.681 nan 8.290 nan 0.000 0.545 233 A N 0.331 123.270 122.820 0.197 0.000 1.898 233 A HA 0.216 4.535 4.320 -0.001 0.000 0.214 233 A C 2.110 179.822 177.584 0.214 0.000 1.183 233 A CA 1.154 53.295 52.037 0.174 0.000 0.622 233 A CB -0.495 18.580 19.000 0.125 0.000 0.824 233 A HN 0.264 nan 8.150 nan 0.000 0.444 234 F N -0.470 119.518 119.950 0.062 0.000 2.102 234 F HA -0.185 4.341 4.527 -0.002 0.000 0.298 234 F C 2.141 177.981 175.800 0.066 0.000 1.105 234 F CA 1.328 59.355 58.000 0.046 0.000 1.239 234 F CB -1.069 37.958 39.000 0.043 0.000 0.991 234 F HN 0.415 nan 8.300 nan 0.000 0.474 235 Y N 0.604 121.047 120.300 0.237 0.000 2.165 235 Y HA -0.198 4.352 4.550 -0.001 0.000 0.286 235 Y C 2.393 178.361 175.900 0.112 0.000 1.155 235 Y CA 1.972 60.138 58.100 0.110 0.000 1.164 235 Y CB -0.775 37.708 38.460 0.038 0.000 0.978 235 Y HN 0.072 nan 8.280 nan 0.000 0.513 236 A N -0.833 122.107 122.820 0.199 0.000 1.933 236 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 236 A C 2.317 179.900 177.584 -0.003 0.000 1.175 236 A CA 1.926 54.018 52.037 0.092 0.000 0.628 236 A CB -1.263 17.814 19.000 0.128 0.000 0.814 236 A HN 0.341 nan 8.150 nan 0.000 0.444 237 V N -0.341 119.591 119.914 0.030 0.000 2.358 237 V HA -0.151 3.968 4.120 -0.001 0.000 0.246 237 V C 2.685 178.763 176.094 -0.027 0.000 1.047 237 V CA 1.982 64.281 62.300 -0.002 0.000 1.035 237 V CB -1.188 30.630 31.823 -0.009 0.000 0.658 237 V HN 0.611 nan 8.190 nan 0.000 0.452 238 G N -0.201 108.578 108.800 -0.035 0.000 2.712 238 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.212 238 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.212 238 G C 1.416 176.223 174.900 -0.156 0.000 1.142 238 G CA 0.612 45.678 45.100 -0.058 0.000 0.789 238 G HN 0.680 nan 8.290 nan 0.000 0.535 239 Q N -0.076 119.561 119.800 -0.272 0.000 2.167 239 Q HA 0.057 4.397 4.340 -0.001 0.000 0.202 239 Q C 2.367 178.290 176.000 -0.128 0.000 0.970 239 Q CA 1.364 56.990 55.803 -0.295 0.000 0.855 239 Q CB -0.630 27.891 28.738 -0.361 0.000 0.911 239 Q HN 0.216 nan 8.270 nan 0.000 0.438 240 G N 0.907 109.656 108.800 -0.084 0.000 2.509 240 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.218 240 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.218 240 G C 0.529 175.411 174.900 -0.029 0.000 1.124 240 G CA 0.446 45.522 45.100 -0.040 0.000 0.776 240 G HN 0.353 nan 8.290 nan 0.000 0.547 241 S N -0.611 115.068 115.700 -0.034 0.000 2.617 241 S HA 0.323 4.793 4.470 -0.001 0.000 0.283 241 S C 0.760 175.343 174.600 -0.029 0.000 1.189 241 S CA -0.602 57.587 58.200 -0.020 0.000 1.036 241 S CB 1.265 64.462 63.200 -0.005 0.000 1.014 241 S HN 0.075 nan 8.310 nan 0.000 0.522 242 D N 1.173 121.557 120.400 -0.027 0.000 2.269 242 D HA 0.038 4.677 4.640 -0.001 0.000 0.208 242 D C 0.159 176.429 176.300 -0.051 0.000 0.963 242 D CA 0.956 54.936 54.000 -0.035 0.000 0.864 242 D CB 0.111 40.891 40.800 -0.034 0.000 0.936 242 D HN 0.426 nan 8.370 nan 0.000 0.505 243 Q N 1.550 121.318 119.800 -0.053 0.000 2.314 243 Q HA 0.242 4.581 4.340 -0.001 0.000 0.257 243 Q C -2.232 173.746 176.000 -0.037 0.000 0.975 243 Q CA -1.801 53.955 55.803 -0.079 0.000 0.933 243 Q CB 1.349 30.041 28.738 -0.076 0.000 1.195 243 Q HN 0.176 nan 8.270 nan 0.000 0.426 244 P HA 0.297 nan 4.420 nan 0.000 0.276 244 P C -2.600 174.714 177.300 0.022 0.000 1.252 244 P CA -1.585 61.505 63.100 -0.016 0.000 0.802 244 P CB -0.059 31.633 31.700 -0.014 0.000 1.035 245 P HA 0.313 nan 4.420 nan 0.000 0.274 245 P C -0.591 176.742 177.300 0.055 0.000 1.246 245 P CA -0.094 63.068 63.100 0.102 0.000 0.795 245 P CB 0.666 32.449 31.700 0.138 0.000 1.006 246 R N 0.803 121.375 120.500 0.120 0.000 2.604 246 R HA 0.484 4.823 4.340 -0.001 0.000 0.281 246 R C -1.215 175.157 176.300 0.120 0.000 1.020 246 R CA -1.003 55.135 56.100 0.063 0.000 0.899 246 R CB 1.617 31.975 30.300 0.098 0.000 1.205 246 R HN 0.428 nan 8.270 nan 0.000 0.450 247 L N 4.202 125.414 121.223 -0.019 0.000 2.280 247 L HA 0.543 4.882 4.340 -0.001 0.000 0.287 247 L C -0.802 176.059 176.870 -0.014 0.000 1.023 247 L CA -0.223 54.633 54.840 0.027 0.000 0.819 247 L CB 0.795 42.762 42.059 -0.152 0.000 1.212 247 L HN 0.552 nan 8.230 nan 0.000 0.420 248 I N 5.771 126.350 120.570 0.016 0.000 2.354 248 I HA 0.429 4.599 4.170 -0.001 0.000 0.292 248 I C -0.676 175.429 176.117 -0.020 0.000 0.989 248 I CA -0.831 60.468 61.300 -0.001 0.000 1.188 248 I CB 1.802 39.797 38.000 -0.008 0.000 1.342 248 I HN 0.250 nan 8.210 nan 0.000 0.457 249 V N 7.588 127.511 119.914 0.016 0.000 2.384 249 V HA 0.435 4.554 4.120 -0.001 0.000 0.287 249 V C -0.374 175.736 176.094 0.026 0.000 1.020 249 V CA -0.534 61.793 62.300 0.045 0.000 0.850 249 V CB 1.529 33.452 31.823 0.167 0.000 0.987 249 V HN 0.410 nan 8.190 nan 0.000 0.436 250 L N 4.762 125.972 121.223 -0.022 0.000 2.343 250 L HA 0.569 4.908 4.340 -0.001 0.000 0.278 250 L C -0.118 176.755 176.870 0.006 0.000 0.996 250 L CA -0.143 54.700 54.840 0.004 0.000 0.831 250 L CB 1.547 43.592 42.059 -0.024 0.000 1.232 250 L HN 0.500 nan 8.230 nan 0.000 0.413 251 N N 2.404 121.135 118.700 0.051 0.000 2.479 251 N HA 0.187 4.927 4.740 -0.001 0.000 0.261 251 N C -1.718 173.863 175.510 0.119 0.000 0.979 251 N CA -0.440 52.637 53.050 0.045 0.000 0.930 251 N CB 1.018 39.537 38.487 0.053 0.000 1.172 251 N HN 0.491 nan 8.380 nan 0.000 0.499 252 Y N 3.147 123.445 120.300 -0.004 0.000 2.353 252 Y HA 0.347 4.896 4.550 -0.001 0.000 0.340 252 Y C -0.454 175.462 175.900 0.027 0.000 0.972 252 Y CA -0.491 57.618 58.100 0.015 0.000 1.157 252 Y CB 0.935 39.398 38.460 0.004 0.000 1.157 252 Y HN 0.341 nan 8.280 nan 0.000 0.495 253 Q N 5.465 125.006 119.800 -0.431 0.000 2.834 253 Q HA 0.270 4.609 4.340 -0.001 0.000 0.271 253 Q C 0.662 176.319 176.000 -0.571 0.000 1.196 253 Q CA 0.109 55.692 55.803 -0.367 0.000 1.063 253 Q CB 1.217 29.863 28.738 -0.153 0.000 1.265 253 Q HN 1.129 nan 8.270 nan 0.000 0.526 254 G N 0.209 108.491 108.800 -0.863 0.000 2.939 254 G HA2 0.146 4.106 3.960 -0.001 0.000 0.210 254 G HA3 0.146 4.106 3.960 -0.001 0.000 0.210 254 G C 0.645 175.440 174.900 -0.174 0.000 1.160 254 G CA 0.334 45.080 45.100 -0.589 0.000 0.770 254 G HN 0.467 nan 8.290 nan 0.000 0.543 255 G N -0.177 108.552 108.800 -0.117 0.000 2.642 255 G HA2 0.498 4.457 3.960 -0.001 0.000 0.291 255 G HA3 0.498 4.457 3.960 -0.001 0.000 0.291 255 G C -0.302 174.580 174.900 -0.029 0.000 1.345 255 G CA -0.839 44.248 45.100 -0.022 0.000 1.043 255 G HN 0.200 nan 8.290 nan 0.000 0.528 256 K N -0.417 119.979 120.400 -0.007 0.000 2.319 256 K HA 0.087 4.406 4.320 -0.001 0.000 0.265 256 K C 1.171 177.763 176.600 -0.013 0.000 1.000 256 K CA -0.274 56.008 56.287 -0.008 0.000 0.943 256 K CB 1.196 33.697 32.500 0.000 0.000 0.950 256 K HN 0.416 nan 8.250 nan 0.000 0.485 257 K N 1.927 122.320 120.400 -0.011 0.000 2.113 257 K HA -0.175 4.145 4.320 -0.001 0.000 0.208 257 K C 1.325 177.922 176.600 -0.005 0.000 1.047 257 K CA 1.988 58.270 56.287 -0.009 0.000 0.928 257 K CB -0.130 32.367 32.500 -0.005 0.000 0.716 257 K HN 0.654 nan 8.250 nan 0.000 0.446 258 A N 0.322 123.139 122.820 -0.005 0.000 2.345 258 A HA 0.130 4.449 4.320 -0.001 0.000 0.225 258 A C -0.523 177.055 177.584 -0.011 0.000 1.243 258 A CA -0.246 51.788 52.037 -0.005 0.000 0.875 258 A CB -0.121 18.877 19.000 -0.003 0.000 0.929 258 A HN 0.218 nan 8.150 nan 0.000 0.502 259 D N 1.637 122.029 120.400 -0.013 0.000 2.351 259 D HA 0.202 4.841 4.640 -0.001 0.000 0.251 259 D C -0.014 176.254 176.300 -0.052 0.000 1.137 259 D CA 0.370 54.355 54.000 -0.025 0.000 0.879 259 D CB 0.794 41.590 40.800 -0.007 0.000 1.181 259 D HN 0.243 nan 8.370 nan 0.000 0.448 260 K N 3.208 123.553 120.400 -0.092 0.000 2.382 260 K HA 0.195 4.514 4.320 -0.001 0.000 0.275 260 K C -2.130 174.328 176.600 -0.236 0.000 1.009 260 K CA -1.156 55.055 56.287 -0.126 0.000 0.970 260 K CB 0.370 32.786 32.500 -0.139 0.000 0.934 260 K HN 0.262 nan 8.250 nan 0.000 0.479 261 P HA 0.138 nan 4.420 nan 0.000 0.276 261 P C -0.944 176.143 177.300 -0.355 0.000 1.252 261 P CA -0.317 62.679 63.100 -0.173 0.000 0.802 261 P CB 0.450 32.121 31.700 -0.048 0.000 1.035 262 F N -0.249 119.719 119.950 0.030 0.000 2.408 262 F HA 0.353 4.879 4.527 -0.001 0.000 0.344 262 F C 0.434 176.230 175.800 -0.008 0.000 1.112 262 F CA -0.481 57.550 58.000 0.051 0.000 1.096 262 F CB 1.100 40.168 39.000 0.113 0.000 1.129 262 F HN -0.071 nan 8.300 nan 0.000 0.486 263 V N 5.199 125.171 119.914 0.097 0.000 2.417 263 V HA 0.404 4.523 4.120 -0.001 0.000 0.291 263 V C -0.216 175.898 176.094 0.034 0.000 1.024 263 V CA -0.800 61.496 62.300 -0.007 0.000 0.861 263 V CB 1.639 33.410 31.823 -0.088 0.000 0.985 263 V HN 0.524 nan 8.190 nan 0.000 0.436 264 L N 5.464 126.695 121.223 0.014 0.000 2.296 264 L HA 0.642 4.981 4.340 -0.001 0.000 0.286 264 L C -0.664 176.208 176.870 0.003 0.000 1.023 264 L CA -0.749 54.098 54.840 0.012 0.000 0.812 264 L CB 1.913 43.971 42.059 -0.002 0.000 1.223 264 L HN 0.335 nan 8.230 nan 0.000 0.421 265 V N 2.139 122.076 119.914 0.037 0.000 2.384 265 V HA 0.625 4.744 4.120 -0.001 0.000 0.287 265 V C 0.457 176.572 176.094 0.035 0.000 1.020 265 V CA -0.455 61.876 62.300 0.051 0.000 0.850 265 V CB 1.558 33.451 31.823 0.117 0.000 0.987 265 V HN 0.873 nan 8.190 nan 0.000 0.436 266 G N 3.175 111.974 108.800 -0.001 0.000 2.470 266 G HA2 0.497 4.456 3.960 -0.001 0.000 0.320 266 G HA3 0.497 4.456 3.960 -0.001 0.000 0.320 266 G C -0.639 174.253 174.900 -0.013 0.000 1.245 266 G CA -0.734 44.362 45.100 -0.006 0.000 0.935 266 G HN 0.664 nan 8.290 nan 0.000 0.476 267 K N 1.454 121.853 120.400 -0.002 0.000 2.383 267 K HA 0.330 4.649 4.320 -0.001 0.000 0.286 267 K C 0.680 177.269 176.600 -0.019 0.000 1.051 267 K CA -0.117 56.151 56.287 -0.031 0.000 0.974 267 K CB 0.418 32.911 32.500 -0.010 0.000 0.968 267 K HN 0.441 nan 8.250 nan 0.000 0.475 268 G N 6.248 115.028 108.800 -0.033 0.000 4.804 268 G HA2 0.219 4.178 3.960 -0.001 0.000 0.310 268 G HA3 0.219 4.178 3.960 -0.001 0.000 0.310 268 G C -0.238 174.666 174.900 0.007 0.000 1.389 268 G CA -0.490 44.618 45.100 0.012 0.000 1.106 268 G HN 0.525 nan 8.290 nan 0.000 0.595 269 I N 2.968 123.522 120.570 -0.025 0.000 2.347 269 I HA 0.070 4.239 4.170 -0.001 0.000 0.294 269 I C 1.915 178.023 176.117 -0.015 0.000 1.090 269 I CA 0.097 61.378 61.300 -0.032 0.000 1.314 269 I CB 0.281 38.236 38.000 -0.074 0.000 1.423 269 I HN 0.299 nan 8.210 nan 0.000 0.503 270 T N 3.277 117.856 114.554 0.042 0.000 2.951 270 T HA -0.018 4.331 4.350 -0.001 0.000 0.268 270 T C 0.316 175.084 174.700 0.114 0.000 1.073 270 T CA 0.664 62.804 62.100 0.067 0.000 1.134 270 T CB 0.061 68.999 68.868 0.117 0.000 0.884 270 T HN 0.276 nan 8.240 nan 0.000 0.479 271 F N 0.887 120.801 119.950 -0.061 0.000 2.615 271 F HA 0.494 5.020 4.527 -0.001 0.000 0.312 271 F C -2.147 173.614 175.800 -0.065 0.000 1.119 271 F CA -1.734 56.213 58.000 -0.089 0.000 0.979 271 F CB 2.128 41.075 39.000 -0.088 0.000 1.266 271 F HN -0.134 nan 8.300 nan 0.000 0.444 272 D N 2.748 122.630 120.400 -0.863 0.000 2.472 272 D HA 0.202 4.841 4.640 -0.001 0.000 0.234 272 D C 0.881 176.865 176.300 -0.528 0.000 1.088 272 D CA 0.054 53.758 54.000 -0.492 0.000 0.882 272 D CB 1.262 41.853 40.800 -0.347 0.000 1.037 272 D HN 0.611 nan 8.370 nan 0.000 0.520 273 T N 0.324 114.777 114.554 -0.168 0.000 3.085 273 T HA 0.206 4.556 4.350 -0.001 0.000 0.263 273 T C 1.602 176.280 174.700 -0.038 0.000 1.127 273 T CA 0.727 62.826 62.100 -0.001 0.000 1.103 273 T CB 0.059 69.009 68.868 0.136 0.000 0.921 273 T HN 0.529 nan 8.240 nan 0.000 0.510 274 G N 0.722 109.480 108.800 -0.070 0.000 2.241 274 G HA2 0.120 4.079 3.960 -0.001 0.000 0.244 274 G HA3 0.120 4.079 3.960 -0.001 0.000 0.244 274 G C 1.183 176.066 174.900 -0.027 0.000 0.998 274 G CA 0.390 45.461 45.100 -0.048 0.000 0.621 274 G HN 1.770 nan 8.290 nan 0.000 0.519 275 G N 0.196 108.990 108.800 -0.010 0.000 2.512 275 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.254 275 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.254 275 G C 0.887 175.787 174.900 0.001 0.000 1.199 275 G CA 0.492 45.590 45.100 -0.002 0.000 0.941 275 G HN 0.964 nan 8.290 nan 0.000 0.569 276 I N 1.470 122.040 120.570 -0.000 0.000 2.286 276 I HA -0.063 4.106 4.170 -0.001 0.000 0.248 276 I C 2.229 178.347 176.117 0.001 0.000 1.115 276 I CA 2.019 63.321 61.300 0.002 0.000 1.392 276 I CB -1.375 36.627 38.000 0.003 0.000 1.065 276 I HN 0.342 nan 8.210 nan 0.000 0.418 277 S N 2.523 118.221 115.700 -0.003 0.000 4.085 277 S HA 0.124 4.593 4.470 -0.001 0.000 0.189 277 S C 0.292 174.888 174.600 -0.007 0.000 1.392 277 S CA -0.339 57.858 58.200 -0.005 0.000 0.972 277 S CB -0.982 62.212 63.200 -0.011 0.000 1.482 277 S HN 0.134 nan 8.310 nan 0.000 0.446 278 L N 2.740 123.963 121.223 -0.000 0.000 2.485 278 L HA 0.145 4.485 4.340 -0.001 0.000 0.275 278 L C 0.463 177.334 176.870 0.002 0.000 1.207 278 L CA 0.519 55.361 54.840 0.004 0.000 0.855 278 L CB 0.371 42.437 42.059 0.012 0.000 1.114 278 L HN 0.259 nan 8.230 nan 0.000 0.485 279 K N 5.163 125.563 120.400 -0.001 0.000 2.219 279 K HA 0.270 4.590 4.320 -0.001 0.000 0.258 279 K C -2.111 174.496 176.600 0.012 0.000 1.008 279 K CA -1.402 54.884 56.287 -0.002 0.000 0.928 279 K CB -0.076 32.415 32.500 -0.015 0.000 0.983 279 K HN 0.527 nan 8.250 nan 0.000 0.484 280 P HA -0.002 nan 4.420 nan 0.000 0.272 280 P C 0.480 177.796 177.300 0.027 0.000 1.230 280 P CA -0.217 62.893 63.100 0.017 0.000 0.788 280 P CB 0.528 32.237 31.700 0.015 0.000 0.949 281 G N 0.590 109.407 108.800 0.027 0.000 2.421 281 G HA2 0.010 3.969 3.960 -0.001 0.000 0.217 281 G HA3 0.010 3.969 3.960 -0.001 0.000 0.217 281 G C 0.609 175.532 174.900 0.038 0.000 1.143 281 G CA 0.526 45.647 45.100 0.035 0.000 0.784 281 G HN 0.803 nan 8.290 nan 0.000 0.541 282 A N 0.053 122.892 122.820 0.032 0.000 2.522 282 A HA 0.486 4.805 4.320 -0.001 0.000 0.256 282 A C 1.680 179.292 177.584 0.047 0.000 1.086 282 A CA 0.829 52.887 52.037 0.034 0.000 0.763 282 A CB -0.508 18.508 19.000 0.027 0.000 1.024 282 A HN 1.716 nan 8.150 nan 0.000 0.502 283 G N 2.081 110.914 108.800 0.056 0.000 2.155 283 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.257 283 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.257 283 G C 0.832 175.782 174.900 0.083 0.000 0.983 283 G CA 0.702 45.849 45.100 0.077 0.000 0.676 283 G HN 0.872 nan 8.290 nan 0.000 0.528 284 M N 0.753 120.400 119.600 0.079 0.000 2.374 284 M HA -0.045 4.434 4.480 -0.001 0.000 0.264 284 M C 2.386 178.785 176.300 0.166 0.000 1.067 284 M CA 2.314 57.673 55.300 0.098 0.000 1.103 284 M CB -0.246 32.436 32.600 0.136 0.000 1.402 284 M HN 0.416 nan 8.290 nan 0.000 0.444 285 D N -0.126 120.359 120.400 0.141 0.000 2.265 285 D HA -0.234 4.405 4.640 -0.001 0.000 0.208 285 D C 1.042 177.362 176.300 0.033 0.000 0.977 285 D CA 1.339 55.415 54.000 0.126 0.000 0.871 285 D CB -0.800 40.014 40.800 0.023 0.000 0.925 285 D HN 0.511 nan 8.370 nan 0.000 0.485 286 E N -0.773 119.428 120.200 0.002 0.000 2.511 286 E HA 0.030 4.379 4.350 -0.001 0.000 0.196 286 E C 1.378 177.753 176.600 -0.375 0.000 1.066 286 E CA 0.005 56.326 56.400 -0.132 0.000 0.871 286 E CB -0.035 29.739 29.700 0.124 0.000 0.863 286 E HN 0.252 nan 8.360 nan 0.000 0.520 287 M N 0.767 120.188 119.600 -0.300 0.000 2.659 287 M HA -0.056 4.423 4.480 -0.001 0.000 0.243 287 M C 1.759 177.754 176.300 -0.508 0.000 1.111 287 M CA 0.949 55.929 55.300 -0.533 0.000 1.070 287 M CB -0.521 31.570 32.600 -0.849 0.000 1.525 287 M HN 0.074 nan 8.290 nan 0.000 0.517 288 K N -0.603 119.628 120.400 -0.280 0.000 2.362 288 K HA -0.145 4.174 4.320 -0.001 0.000 0.200 288 K C 0.718 176.991 176.600 -0.545 0.000 1.046 288 K CA 1.224 57.339 56.287 -0.286 0.000 0.952 288 K CB -0.362 31.902 32.500 -0.393 0.000 0.753 288 K HN 0.203 nan 8.250 nan 0.000 0.466 289 Y N 1.344 121.325 120.300 -0.531 0.000 2.471 289 Y HA 0.066 4.615 4.550 -0.001 0.000 0.286 289 Y C 0.965 176.636 175.900 -0.382 0.000 1.188 289 Y CA -0.182 57.558 58.100 -0.600 0.000 1.286 289 Y CB -0.044 37.644 38.460 -1.287 0.000 1.072 289 Y HN 0.167 nan 8.280 nan 0.000 0.517 290 D N 0.243 120.515 120.400 -0.213 0.000 2.363 290 D HA -0.057 4.582 4.640 -0.001 0.000 0.226 290 D C 1.245 177.527 176.300 -0.030 0.000 1.020 290 D CA 0.609 54.554 54.000 -0.091 0.000 0.892 290 D CB 0.078 40.784 40.800 -0.157 0.000 0.900 290 D HN 0.307 nan 8.370 nan 0.000 0.531 291 M N -2.352 117.234 119.600 -0.023 0.000 2.404 291 M HA 0.292 4.771 4.480 -0.001 0.000 0.271 291 M C 1.289 177.619 176.300 0.049 0.000 1.128 291 M CA -0.255 55.056 55.300 0.019 0.000 0.982 291 M CB -0.755 31.866 32.600 0.034 0.000 1.445 291 M HN -0.163 nan 8.290 nan 0.000 0.495 292 C N 1.247 120.591 119.300 0.074 0.000 2.432 292 C HA 0.102 4.561 4.460 -0.001 0.000 0.282 292 C C 2.762 177.790 174.990 0.063 0.000 1.388 292 C CA 1.152 60.225 59.018 0.092 0.000 1.777 292 C CB -1.599 26.238 27.740 0.161 0.000 1.882 292 C HN 0.832 nan 8.230 nan 0.000 0.520 293 G N 0.798 109.631 108.800 0.056 0.000 2.480 293 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.216 293 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.216 293 G C 1.910 176.820 174.900 0.017 0.000 1.200 293 G CA 1.084 46.203 45.100 0.031 0.000 0.782 293 G HN 0.583 nan 8.290 nan 0.000 0.554 294 A N 1.128 123.960 122.820 0.021 0.000 1.908 294 A HA 0.212 4.531 4.320 -0.001 0.000 0.218 294 A C 2.829 180.453 177.584 0.068 0.000 1.181 294 A CA 2.434 54.477 52.037 0.010 0.000 0.627 294 A CB -0.844 18.176 19.000 0.033 0.000 0.818 294 A HN 0.890 nan 8.150 nan 0.000 0.445 295 A N 0.328 123.204 122.820 0.094 0.000 1.902 295 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 295 A C 2.519 180.116 177.584 0.023 0.000 1.181 295 A CA 2.448 54.526 52.037 0.068 0.000 0.623 295 A CB -0.990 18.014 19.000 0.007 0.000 0.818 295 A HN 1.068 nan 8.150 nan 0.000 0.443 296 S N -0.562 115.148 115.700 0.017 0.000 2.423 296 S HA -0.081 4.388 4.470 -0.001 0.000 0.231 296 S C 1.720 176.326 174.600 0.009 0.000 1.014 296 S CA 1.269 59.473 58.200 0.007 0.000 0.965 296 S CB -0.734 62.465 63.200 -0.002 0.000 0.785 296 S HN 0.237 nan 8.310 nan 0.000 0.495 297 V N 0.870 120.778 119.914 -0.008 0.000 2.307 297 V HA -0.071 4.048 4.120 -0.001 0.000 0.245 297 V C 2.253 178.340 176.094 -0.013 0.000 1.045 297 V CA 1.778 64.053 62.300 -0.041 0.000 1.024 297 V CB -1.078 30.686 31.823 -0.098 0.000 0.651 297 V HN 0.406 nan 8.190 nan 0.000 0.449 298 F N 1.622 121.513 119.950 -0.099 0.000 2.091 298 F HA -0.154 4.373 4.527 -0.001 0.000 0.299 298 F C 2.365 178.162 175.800 -0.004 0.000 1.103 298 F CA 1.819 59.746 58.000 -0.121 0.000 1.228 298 F CB -1.217 37.485 39.000 -0.497 0.000 0.984 298 F HN 0.199 nan 8.300 nan 0.000 0.477 299 G N -1.753 107.135 108.800 0.146 0.000 2.403 299 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.216 299 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.216 299 G C 1.712 176.698 174.900 0.143 0.000 1.154 299 G CA 1.259 46.477 45.100 0.197 0.000 0.784 299 G HN 0.317 nan 8.290 nan 0.000 0.538 300 T N 1.313 115.911 114.554 0.074 0.000 2.708 300 T HA -0.148 4.201 4.350 -0.001 0.000 0.266 300 T C 2.251 176.955 174.700 0.006 0.000 1.037 300 T CA 1.251 63.368 62.100 0.028 0.000 1.146 300 T CB -0.279 68.594 68.868 0.007 0.000 0.865 300 T HN 0.142 nan 8.240 nan 0.000 0.435 301 L N 1.573 122.809 121.223 0.021 0.000 2.042 301 L HA -0.054 4.285 4.340 -0.001 0.000 0.210 301 L C 2.498 179.333 176.870 -0.058 0.000 1.076 301 L CA 1.872 56.690 54.840 -0.038 0.000 0.749 301 L CB -0.573 41.486 42.059 -0.001 0.000 0.893 301 L HN 0.102 nan 8.230 nan 0.000 0.432 302 R N -0.490 120.064 120.500 0.090 0.000 2.081 302 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 302 R C 2.164 178.450 176.300 -0.024 0.000 1.131 302 R CA 1.507 57.632 56.100 0.043 0.000 0.960 302 R CB -0.471 29.952 30.300 0.204 0.000 0.856 302 R HN 0.505 nan 8.270 nan 0.000 0.436 303 A N 0.263 123.087 122.820 0.006 0.000 1.902 303 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 303 A C 2.282 179.823 177.584 -0.072 0.000 1.181 303 A CA 1.643 53.672 52.037 -0.013 0.000 0.623 303 A CB -0.594 18.409 19.000 0.004 0.000 0.818 303 A HN 0.233 nan 8.150 nan 0.000 0.443 304 V N 0.137 119.971 119.914 -0.133 0.000 2.343 304 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 304 V C 2.567 178.469 176.094 -0.320 0.000 1.051 304 V CA 1.994 64.160 62.300 -0.224 0.000 1.036 304 V CB -0.799 30.848 31.823 -0.293 0.000 0.654 304 V HN 0.567 nan 8.190 nan 0.000 0.451 305 L N -0.213 120.783 121.223 -0.379 0.000 2.046 305 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 305 L C 2.598 179.400 176.870 -0.112 0.000 1.077 305 L CA 2.049 56.679 54.840 -0.350 0.000 0.747 305 L CB -0.596 41.157 42.059 -0.510 0.000 0.896 305 L HN 0.412 nan 8.230 nan 0.000 0.432 306 E N 0.658 120.818 120.200 -0.066 0.000 2.077 306 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 306 E C 2.233 178.851 176.600 0.030 0.000 0.989 306 E CA 1.123 57.531 56.400 0.013 0.000 0.800 306 E CB -0.023 29.691 29.700 0.024 0.000 0.746 306 E HN 0.472 nan 8.360 nan 0.000 0.452 307 L N 0.400 121.631 121.223 0.013 0.000 2.478 307 L HA -0.031 4.308 4.340 -0.001 0.000 0.223 307 L C 0.465 177.368 176.870 0.056 0.000 1.140 307 L CA 0.159 55.026 54.840 0.045 0.000 0.842 307 L CB 0.000 42.073 42.059 0.022 0.000 0.953 307 L HN 0.167 nan 8.230 nan 0.000 0.452 308 Q N 0.890 120.720 119.800 0.050 0.000 2.435 308 Q HA -0.196 4.144 4.340 -0.001 0.000 0.312 308 Q C -0.219 175.880 176.000 0.165 0.000 1.333 308 Q CA 0.785 56.670 55.803 0.136 0.000 0.883 308 Q CB -1.974 26.845 28.738 0.135 0.000 1.170 308 Q HN 0.487 nan 8.270 nan 0.000 0.443 309 L N 1.644 122.945 121.223 0.130 0.000 2.485 309 L HA 0.080 4.419 4.340 -0.001 0.000 0.275 309 L C -1.159 175.835 176.870 0.207 0.000 1.207 309 L CA -1.090 53.823 54.840 0.121 0.000 0.855 309 L CB -0.003 42.081 42.059 0.041 0.000 1.114 309 L HN -0.006 nan 8.230 nan 0.000 0.485 310 P HA 0.131 nan 4.420 nan 0.000 0.214 310 P C -0.838 176.520 177.300 0.097 0.000 1.826 310 P CA 0.010 63.163 63.100 0.090 0.000 0.977 310 P CB 0.081 31.814 31.700 0.056 0.000 1.930 311 V N -1.015 118.992 119.914 0.156 0.000 2.962 311 V HA 0.533 4.652 4.120 -0.001 0.000 0.313 311 V C -0.537 175.662 176.094 0.175 0.000 1.099 311 V CA -1.433 60.991 62.300 0.207 0.000 0.971 311 V CB 2.198 34.167 31.823 0.243 0.000 1.028 311 V HN 0.011 nan 8.190 nan 0.000 0.430 312 N N 2.250 121.052 118.700 0.170 0.000 2.419 312 N HA 0.621 5.360 4.740 -0.001 0.000 0.264 312 N C -1.134 174.512 175.510 0.227 0.000 1.031 312 N CA -0.414 52.694 53.050 0.096 0.000 0.951 312 N CB 1.577 40.078 38.487 0.024 0.000 1.101 312 N HN 0.697 nan 8.380 nan 0.000 0.488 313 L N 3.775 125.141 121.223 0.239 0.000 2.372 313 L HA 0.484 4.823 4.340 -0.001 0.000 0.274 313 L C -1.361 175.560 176.870 0.085 0.000 0.988 313 L CA -0.742 54.233 54.840 0.225 0.000 0.833 313 L CB 1.611 43.833 42.059 0.271 0.000 1.236 313 L HN 0.208 nan 8.230 nan 0.000 0.410 314 V N 4.499 124.385 119.914 -0.047 0.000 2.384 314 V HA 0.429 4.548 4.120 -0.001 0.000 0.287 314 V C -0.395 175.597 176.094 -0.170 0.000 1.020 314 V CA -0.483 61.681 62.300 -0.227 0.000 0.850 314 V CB 1.362 32.794 31.823 -0.653 0.000 0.987 314 V HN 0.868 nan 8.190 nan 0.000 0.436 315 C N 6.589 125.809 119.300 -0.133 0.000 2.303 315 C HA 0.681 5.140 4.460 -0.001 0.000 0.326 315 C C 0.013 174.937 174.990 -0.110 0.000 1.285 315 C CA -0.833 58.117 59.018 -0.114 0.000 1.675 315 C CB 0.125 27.783 27.740 -0.135 0.000 2.289 315 C HN 0.723 nan 8.230 nan 0.000 0.512 316 L N 4.523 125.705 121.223 -0.068 0.000 2.343 316 L HA 0.543 4.882 4.340 -0.001 0.000 0.278 316 L C -0.658 176.192 176.870 -0.034 0.000 0.996 316 L CA -0.269 54.563 54.840 -0.014 0.000 0.831 316 L CB 0.814 42.924 42.059 0.085 0.000 1.232 316 L HN 0.516 nan 8.230 nan 0.000 0.413 317 L N 3.595 124.785 121.223 -0.055 0.000 2.280 317 L HA 0.622 4.961 4.340 -0.001 0.000 0.287 317 L C 0.334 177.230 176.870 0.043 0.000 1.023 317 L CA -0.513 54.293 54.840 -0.055 0.000 0.819 317 L CB 1.682 43.654 42.059 -0.146 0.000 1.212 317 L HN 0.663 nan 8.230 nan 0.000 0.420 318 A N 3.500 126.333 122.820 0.021 0.000 2.478 318 A HA 0.525 4.844 4.320 -0.001 0.000 0.327 318 A C -0.309 177.248 177.584 -0.045 0.000 1.431 318 A CA -0.322 51.710 52.037 -0.009 0.000 1.014 318 A CB -0.074 18.737 19.000 -0.315 0.000 1.143 318 A HN 0.765 nan 8.150 nan 0.000 0.532 319 C N 2.284 121.713 119.300 0.214 0.000 2.351 319 C HA 0.934 5.393 4.460 -0.001 0.000 0.326 319 C C 0.677 175.806 174.990 0.232 0.000 1.272 319 C CA 0.049 59.165 59.018 0.163 0.000 1.650 319 C CB 0.273 28.121 27.740 0.179 0.000 2.257 319 C HN 1.091 nan 8.230 nan 0.000 0.505 320 A N 2.385 125.281 122.820 0.126 0.000 2.599 320 A HA 0.831 5.150 4.320 -0.001 0.000 0.290 320 A C -1.571 176.059 177.584 0.077 0.000 1.101 320 A CA -0.479 51.636 52.037 0.130 0.000 0.674 320 A CB 1.203 20.281 19.000 0.129 0.000 1.277 320 A HN 0.800 nan 8.150 nan 0.000 0.419 321 E N 0.665 120.906 120.200 0.068 0.000 2.218 321 E HA 0.392 4.741 4.350 -0.001 0.000 0.263 321 E C -1.352 175.277 176.600 0.047 0.000 0.879 321 E CA -0.621 55.824 56.400 0.074 0.000 0.762 321 E CB 1.080 30.837 29.700 0.094 0.000 1.166 321 E HN 0.542 nan 8.360 nan 0.000 0.415 322 N N 5.522 124.243 118.700 0.035 0.000 2.500 322 N HA 0.207 4.946 4.740 -0.001 0.000 0.236 322 N C -1.208 174.325 175.510 0.039 0.000 1.022 322 N CA -0.094 52.961 53.050 0.008 0.000 0.935 322 N CB 0.422 38.888 38.487 -0.036 0.000 1.147 322 N HN 0.466 nan 8.380 nan 0.000 0.512 323 M N 3.282 122.901 119.600 0.032 0.000 2.602 323 M HA 0.514 4.993 4.480 -0.001 0.000 0.312 323 M C -2.483 173.829 176.300 0.019 0.000 1.181 323 M CA -2.172 53.153 55.300 0.042 0.000 0.910 323 M CB 1.841 34.461 32.600 0.033 0.000 1.723 323 M HN 0.299 nan 8.290 nan 0.000 0.459 324 P HA 0.451 nan 4.420 nan 0.000 0.288 324 P C -0.987 176.316 177.300 0.006 0.000 1.267 324 P CA -0.132 62.974 63.100 0.011 0.000 0.815 324 P CB 1.361 33.070 31.700 0.014 0.000 0.989 325 S N 0.304 116.006 115.700 0.002 0.000 2.656 325 S HA 0.479 4.948 4.470 -0.001 0.000 0.265 325 S C 0.865 175.466 174.600 0.001 0.000 1.132 325 S CA -0.205 57.995 58.200 -0.000 0.000 0.819 325 S CB 0.369 63.566 63.200 -0.004 0.000 1.119 325 S HN 0.392 nan 8.310 nan 0.000 0.476 326 G N -0.580 108.221 108.800 0.001 0.000 2.848 326 G HA2 0.395 4.354 3.960 -0.001 0.000 0.208 326 G HA3 0.395 4.354 3.960 -0.001 0.000 0.208 326 G C 0.816 175.719 174.900 0.006 0.000 1.152 326 G CA 0.381 45.483 45.100 0.004 0.000 0.789 326 G HN 1.416 nan 8.290 nan 0.000 0.531 327 G N -0.508 108.295 108.800 0.005 0.000 3.596 327 G HA2 0.520 4.480 3.960 -0.001 0.000 0.274 327 G HA3 0.520 4.480 3.960 -0.001 0.000 0.274 327 G C 0.526 175.428 174.900 0.003 0.000 1.007 327 G CA 0.601 45.706 45.100 0.009 0.000 0.825 327 G HN 0.548 nan 8.290 nan 0.000 0.508 328 A N 0.225 123.044 122.820 -0.001 0.000 2.332 328 A HA 0.623 4.942 4.320 -0.001 0.000 0.258 328 A C 0.783 178.370 177.584 0.004 0.000 1.087 328 A CA -0.017 52.016 52.037 -0.006 0.000 0.802 328 A CB 0.148 19.145 19.000 -0.005 0.000 1.042 328 A HN 0.138 nan 8.150 nan 0.000 0.489 329 T N 1.589 116.144 114.554 0.003 0.000 2.946 329 T HA 0.241 4.590 4.350 -0.001 0.000 0.311 329 T C 0.433 175.140 174.700 0.013 0.000 1.063 329 T CA 0.708 62.818 62.100 0.016 0.000 1.139 329 T CB -0.046 68.833 68.868 0.018 0.000 0.994 329 T HN 0.585 nan 8.240 nan 0.000 0.547 330 R N 3.236 123.746 120.500 0.017 0.000 2.604 330 R HA 0.390 4.729 4.340 -0.001 0.000 0.287 330 R C -2.561 173.748 176.300 0.015 0.000 0.970 330 R CA -2.129 53.979 56.100 0.013 0.000 0.946 330 R CB 0.624 30.931 30.300 0.011 0.000 1.127 330 R HN 0.342 nan 8.270 nan 0.000 0.473 331 P HA -0.060 nan 4.420 nan 0.000 0.262 331 P C 0.580 177.892 177.300 0.020 0.000 1.182 331 P CA 1.215 64.326 63.100 0.018 0.000 0.761 331 P CB 0.666 32.375 31.700 0.016 0.000 0.795 332 G N 2.315 111.134 108.800 0.032 0.000 2.217 332 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.246 332 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.246 332 G C 0.011 174.919 174.900 0.015 0.000 0.990 332 G CA -0.269 44.846 45.100 0.025 0.000 0.627 332 G HN 0.476 nan 8.290 nan 0.000 0.522 333 D N 0.453 120.868 120.400 0.026 0.000 2.423 333 D HA 0.484 5.123 4.640 -0.001 0.000 0.238 333 D C 0.783 177.115 176.300 0.053 0.000 1.142 333 D CA 0.508 54.527 54.000 0.032 0.000 0.884 333 D CB 0.788 41.614 40.800 0.044 0.000 1.199 333 D HN 0.389 nan 8.370 nan 0.000 0.438 334 I N 1.570 122.172 120.570 0.052 0.000 2.436 334 I HA 0.300 4.469 4.170 -0.001 0.000 0.289 334 I C -0.163 176.002 176.117 0.080 0.000 1.010 334 I CA -0.996 60.351 61.300 0.077 0.000 1.098 334 I CB 1.779 39.822 38.000 0.072 0.000 1.266 334 I HN 0.077 nan 8.210 nan 0.000 0.434 335 V N 1.324 121.299 119.914 0.102 0.000 2.914 335 V HA 0.643 4.762 4.120 -0.001 0.000 0.314 335 V C -0.215 175.945 176.094 0.109 0.000 1.084 335 V CA -0.463 61.900 62.300 0.105 0.000 0.963 335 V CB 1.808 33.708 31.823 0.127 0.000 1.025 335 V HN 0.659 nan 8.190 nan 0.000 0.432 336 T N 3.070 117.680 114.554 0.093 0.000 2.733 336 T HA 0.507 4.856 4.350 -0.001 0.000 0.294 336 T C 0.482 175.249 174.700 0.112 0.000 0.956 336 T CA 0.212 62.367 62.100 0.091 0.000 0.987 336 T CB 0.658 69.562 68.868 0.059 0.000 0.920 336 T HN 1.228 nan 8.240 nan 0.000 0.470 337 T N 1.447 116.090 114.554 0.148 0.000 2.788 337 T HA 0.238 4.587 4.350 -0.001 0.000 0.287 337 T C 1.660 176.451 174.700 0.151 0.000 1.007 337 T CA -0.779 61.428 62.100 0.179 0.000 1.005 337 T CB 0.553 69.598 68.868 0.294 0.000 1.012 337 T HN 0.576 nan 8.240 nan 0.000 0.530 338 M N 1.370 121.065 119.600 0.158 0.000 2.149 338 M HA -0.152 4.328 4.480 -0.001 0.000 0.261 338 M C 2.237 178.606 176.300 0.115 0.000 1.064 338 M CA 2.295 57.674 55.300 0.132 0.000 1.102 338 M CB -0.492 32.203 32.600 0.160 0.000 1.369 338 M HN 0.910 nan 8.290 nan 0.000 0.408 339 S N -1.066 114.724 115.700 0.150 0.000 2.474 339 S HA 0.096 4.565 4.470 -0.001 0.000 0.235 339 S C 1.579 176.197 174.600 0.030 0.000 0.997 339 S CA 0.920 59.171 58.200 0.085 0.000 0.949 339 S CB -0.363 62.893 63.200 0.093 0.000 0.766 339 S HN 0.814 nan 8.310 nan 0.000 0.517 340 G N 0.197 109.028 108.800 0.053 0.000 2.234 340 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.235 340 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.235 340 G C -0.079 174.832 174.900 0.018 0.000 0.997 340 G CA 0.039 45.154 45.100 0.026 0.000 0.623 340 G HN 0.608 nan 8.290 nan 0.000 0.514 341 Q N 1.802 121.605 119.800 0.005 0.000 2.337 341 Q HA 0.452 4.792 4.340 -0.001 0.000 0.270 341 Q C 0.732 176.772 176.000 0.068 0.000 1.002 341 Q CA 0.804 56.594 55.803 -0.022 0.000 0.888 341 Q CB 0.681 29.322 28.738 -0.160 0.000 1.222 341 Q HN 0.547 nan 8.270 nan 0.000 0.400 342 T N -1.523 113.067 114.554 0.059 0.000 2.882 342 T HA 0.579 4.928 4.350 -0.001 0.000 0.287 342 T C -0.212 174.572 174.700 0.139 0.000 0.992 342 T CA -0.822 61.339 62.100 0.101 0.000 1.076 342 T CB 1.084 70.001 68.868 0.083 0.000 0.961 342 T HN 0.262 nan 8.240 nan 0.000 0.490 343 V N 2.417 122.439 119.914 0.179 0.000 2.531 343 V HA 0.421 4.540 4.120 -0.001 0.000 0.301 343 V C -0.014 176.193 176.094 0.189 0.000 1.034 343 V CA -0.934 61.506 62.300 0.233 0.000 0.865 343 V CB 1.608 33.631 31.823 0.335 0.000 0.995 343 V HN 1.057 nan 8.190 nan 0.000 0.424 344 E N 4.546 124.859 120.200 0.188 0.000 2.152 344 E HA 0.383 4.732 4.350 -0.001 0.000 0.285 344 E C -0.705 175.974 176.600 0.132 0.000 1.043 344 E CA -0.491 56.004 56.400 0.159 0.000 0.839 344 E CB 0.851 30.665 29.700 0.190 0.000 1.069 344 E HN 0.646 nan 8.360 nan 0.000 0.399 345 I N 7.222 127.850 120.570 0.097 0.000 2.243 345 I HA 0.006 4.175 4.170 -0.001 0.000 0.297 345 I C 1.018 177.162 176.117 0.045 0.000 1.161 345 I CA -0.052 61.283 61.300 0.057 0.000 1.298 345 I CB 0.346 38.374 38.000 0.047 0.000 1.475 345 I HN 0.659 nan 8.210 nan 0.000 0.561 346 L N 4.129 125.378 121.223 0.043 0.000 2.240 346 L HA 0.037 4.376 4.340 -0.001 0.000 0.211 346 L C 0.922 177.803 176.870 0.018 0.000 1.106 346 L CA 0.847 55.712 54.840 0.042 0.000 0.793 346 L CB -0.200 41.889 42.059 0.051 0.000 0.927 346 L HN 0.610 nan 8.230 nan 0.000 0.446 347 N N -0.925 117.773 118.700 -0.004 0.000 2.500 347 N HA 0.047 4.786 4.740 -0.001 0.000 0.291 347 N C 0.536 176.027 175.510 -0.031 0.000 1.092 347 N CA 0.113 53.154 53.050 -0.016 0.000 0.890 347 N CB 1.699 40.173 38.487 -0.021 0.000 1.466 347 N HN -0.074 nan 8.380 nan 0.000 0.507 348 T N -0.854 113.686 114.554 -0.023 0.000 3.118 348 T HA -0.029 4.320 4.350 -0.001 0.000 0.260 348 T C 0.863 175.536 174.700 -0.045 0.000 1.139 348 T CA 0.696 62.779 62.100 -0.029 0.000 1.085 348 T CB 0.087 68.945 68.868 -0.016 0.000 0.934 348 T HN 0.321 nan 8.240 nan 0.000 0.518 349 D N 1.495 121.867 120.400 -0.047 0.000 2.340 349 D HA 0.268 4.907 4.640 -0.001 0.000 0.220 349 D C 0.937 177.192 176.300 -0.075 0.000 1.039 349 D CA -0.019 53.947 54.000 -0.058 0.000 0.866 349 D CB -0.222 40.550 40.800 -0.046 0.000 0.913 349 D HN 0.536 nan 8.370 nan 0.000 0.523 350 A N 1.091 123.856 122.820 -0.091 0.000 3.215 350 A HA 0.185 4.504 4.320 -0.001 0.000 0.269 350 A C 1.297 178.783 177.584 -0.163 0.000 1.517 350 A CA -0.395 51.561 52.037 -0.134 0.000 1.221 350 A CB -0.151 18.751 19.000 -0.164 0.000 1.160 350 A HN 0.179 nan 8.150 nan 0.000 0.620 351 E N 0.470 120.593 120.200 -0.128 0.000 2.307 351 E HA -0.001 4.348 4.350 -0.001 0.000 0.195 351 E C 1.491 178.003 176.600 -0.146 0.000 0.975 351 E CA 1.157 57.483 56.400 -0.124 0.000 0.878 351 E CB -0.839 28.804 29.700 -0.094 0.000 0.845 351 E HN 0.380 nan 8.360 nan 0.000 0.488 352 G N 2.894 111.614 108.800 -0.133 0.000 2.418 352 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.217 352 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.217 352 G C 1.881 176.697 174.900 -0.140 0.000 1.158 352 G CA 1.298 46.323 45.100 -0.125 0.000 0.771 352 G HN 0.444 nan 8.290 nan 0.000 0.545 353 R N 0.233 120.635 120.500 -0.164 0.000 2.189 353 R HA 0.151 4.490 4.340 -0.001 0.000 0.223 353 R C 2.183 178.412 176.300 -0.119 0.000 1.092 353 R CA 0.904 56.908 56.100 -0.159 0.000 0.989 353 R CB -0.536 29.562 30.300 -0.337 0.000 0.876 353 R HN 0.392 nan 8.270 nan 0.000 0.457 354 L N 1.523 122.647 121.223 -0.165 0.000 2.068 354 L HA -0.075 4.265 4.340 -0.001 0.000 0.204 354 L C 2.717 179.500 176.870 -0.146 0.000 1.076 354 L CA 0.959 55.744 54.840 -0.091 0.000 0.753 354 L CB -0.483 41.535 42.059 -0.068 0.000 0.910 354 L HN 0.139 nan 8.230 nan 0.000 0.439 355 V N -2.311 117.432 119.914 -0.284 0.000 2.515 355 V HA -0.192 3.927 4.120 -0.001 0.000 0.250 355 V C 2.211 178.041 176.094 -0.439 0.000 1.058 355 V CA 1.249 63.162 62.300 -0.646 0.000 1.064 355 V CB -0.626 30.565 31.823 -1.052 0.000 0.675 355 V HN 0.325 nan 8.190 nan 0.000 0.461 356 L N 0.940 122.014 121.223 -0.249 0.000 2.056 356 L HA -0.140 4.199 4.340 -0.001 0.000 0.207 356 L C 3.063 179.858 176.870 -0.124 0.000 1.078 356 L CA 1.824 56.590 54.840 -0.123 0.000 0.749 356 L CB -0.845 41.190 42.059 -0.040 0.000 0.901 356 L HN 0.697 nan 8.230 nan 0.000 0.433 357 C N -1.461 117.684 119.300 -0.259 0.000 2.425 357 C HA -0.111 4.348 4.460 -0.001 0.000 0.277 357 C C 2.243 177.018 174.990 -0.358 0.000 1.280 357 C CA 0.345 58.972 59.018 -0.652 0.000 1.744 357 C CB -0.828 25.932 27.740 -1.633 0.000 1.989 357 C HN 0.468 nan 8.230 nan 0.000 0.491 358 D N 0.999 121.325 120.400 -0.124 0.000 2.144 358 D HA -0.047 4.592 4.640 -0.001 0.000 0.200 358 D C 2.367 178.794 176.300 0.211 0.000 0.978 358 D CA 1.936 55.999 54.000 0.105 0.000 0.833 358 D CB -0.445 40.494 40.800 0.232 0.000 0.961 358 D HN 0.576 nan 8.370 nan 0.000 0.470 359 T N 0.993 115.661 114.554 0.190 0.000 2.904 359 T HA -0.011 4.339 4.350 -0.001 0.000 0.267 359 T C 2.228 177.095 174.700 0.278 0.000 1.059 359 T CA 0.331 62.581 62.100 0.250 0.000 1.137 359 T CB -0.059 68.911 68.868 0.170 0.000 0.879 359 T HN 0.119 nan 8.240 nan 0.000 0.467 360 L N 0.829 122.174 121.223 0.203 0.000 2.083 360 L HA -0.114 4.225 4.340 -0.001 0.000 0.209 360 L C 2.888 179.955 176.870 0.329 0.000 1.083 360 L CA 1.153 56.158 54.840 0.275 0.000 0.752 360 L CB -1.014 41.150 42.059 0.175 0.000 0.899 360 L HN 0.265 nan 8.230 nan 0.000 0.433 361 T N -1.512 113.199 114.554 0.262 0.000 2.777 361 T HA -0.244 4.105 4.350 -0.001 0.000 0.266 361 T C 1.710 176.557 174.700 0.245 0.000 1.040 361 T CA 1.226 63.466 62.100 0.234 0.000 1.141 361 T CB -0.383 68.615 68.868 0.218 0.000 0.868 361 T HN 0.283 nan 8.240 nan 0.000 0.444 362 Y N 2.057 122.459 120.300 0.170 0.000 2.207 362 Y HA -0.107 4.442 4.550 -0.001 0.000 0.287 362 Y C 2.459 178.477 175.900 0.197 0.000 1.156 362 Y CA 0.907 59.100 58.100 0.155 0.000 1.182 362 Y CB -0.502 38.066 38.460 0.181 0.000 0.979 362 Y HN 0.201 nan 8.280 nan 0.000 0.521 363 A N -0.024 123.033 122.820 0.394 0.000 2.121 363 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 363 A C 1.984 179.753 177.584 0.309 0.000 1.154 363 A CA 1.478 53.771 52.037 0.427 0.000 0.679 363 A CB -0.621 18.552 19.000 0.289 0.000 0.795 363 A HN 0.650 nan 8.150 nan 0.000 0.458 364 E N 0.037 120.401 120.200 0.273 0.000 2.171 364 E HA -0.268 4.081 4.350 -0.001 0.000 0.197 364 E C 2.152 178.755 176.600 0.004 0.000 0.997 364 E CA 1.404 57.936 56.400 0.221 0.000 0.810 364 E CB -0.277 29.497 29.700 0.124 0.000 0.738 364 E HN 0.837 nan 8.360 nan 0.000 0.467 365 R N 0.448 120.803 120.500 -0.241 0.000 2.193 365 R HA -0.131 4.208 4.340 -0.001 0.000 0.229 365 R C 1.444 177.471 176.300 -0.456 0.000 1.110 365 R CA 1.331 57.162 56.100 -0.449 0.000 0.988 365 R CB -0.483 29.366 30.300 -0.751 0.000 0.871 365 R HN 0.129 nan 8.270 nan 0.000 0.458 366 F N 1.520 121.438 119.950 -0.053 0.000 2.780 366 F HA 0.212 4.738 4.527 -0.002 0.000 0.299 366 F C 0.309 176.091 175.800 -0.031 0.000 1.146 366 F CA -0.016 57.962 58.000 -0.038 0.000 1.428 366 F CB 0.130 39.113 39.000 -0.029 0.000 1.115 366 F HN -0.163 nan 8.300 nan 0.000 0.583 367 K N 0.147 120.610 120.400 0.105 0.000 3.451 367 K HA -0.177 4.142 4.320 -0.001 0.000 0.273 367 K C -2.686 173.952 176.600 0.063 0.000 0.944 367 K CA 0.201 56.536 56.287 0.079 0.000 0.734 367 K CB -2.000 30.522 32.500 0.036 0.000 1.437 367 K HN 0.242 nan 8.250 nan 0.000 0.454 368 P HA 0.015 nan 4.420 nan 0.000 0.276 368 P C 0.680 177.946 177.300 -0.056 0.000 1.244 368 P CA -0.196 62.881 63.100 -0.040 0.000 0.801 368 P CB 0.581 32.216 31.700 -0.109 0.000 1.006 369 Q N 0.768 120.466 119.800 -0.169 0.000 2.402 369 Q HA 0.372 4.711 4.340 -0.001 0.000 0.206 369 Q C 0.034 176.012 176.000 -0.037 0.000 0.919 369 Q CA 0.071 55.791 55.803 -0.138 0.000 0.923 369 Q CB 0.310 28.884 28.738 -0.272 0.000 1.048 369 Q HN 0.431 nan 8.270 nan 0.000 0.515 370 A N 0.395 123.194 122.820 -0.035 0.000 2.540 370 A HA 0.592 4.911 4.320 -0.001 0.000 0.297 370 A C -1.499 176.111 177.584 0.043 0.000 1.056 370 A CA -0.623 51.485 52.037 0.117 0.000 0.700 370 A CB 2.198 21.411 19.000 0.354 0.000 1.280 370 A HN 0.052 nan 8.150 nan 0.000 0.398 371 V N 2.964 122.895 119.914 0.028 0.000 2.483 371 V HA 0.530 4.650 4.120 -0.001 0.000 0.297 371 V C -0.665 175.501 176.094 0.120 0.000 1.027 371 V CA -0.164 62.126 62.300 -0.017 0.000 0.855 371 V CB 1.411 33.033 31.823 -0.336 0.000 0.995 371 V HN 0.716 nan 8.190 nan 0.000 0.424 372 I N 4.803 125.408 120.570 0.057 0.000 2.418 372 I HA 0.447 4.616 4.170 -0.001 0.000 0.287 372 I C -0.919 175.232 176.117 0.056 0.000 1.008 372 I CA -0.612 60.671 61.300 -0.029 0.000 1.104 372 I CB 2.101 40.017 38.000 -0.141 0.000 1.264 372 I HN 0.695 nan 8.210 nan 0.000 0.438 373 D N 7.181 127.653 120.400 0.120 0.000 2.177 373 D HA 0.624 5.263 4.640 -0.001 0.000 0.247 373 D C -0.716 175.649 176.300 0.108 0.000 1.063 373 D CA -0.333 53.781 54.000 0.190 0.000 0.867 373 D CB 1.881 42.907 40.800 0.376 0.000 1.168 373 D HN 0.225 nan 8.370 nan 0.000 0.445 374 I N 0.925 121.538 120.570 0.073 0.000 2.466 374 I HA 0.680 4.849 4.170 -0.001 0.000 0.289 374 I C -0.561 175.583 176.117 0.046 0.000 1.026 374 I CA -0.549 60.759 61.300 0.013 0.000 1.078 374 I CB 1.981 39.969 38.000 -0.020 0.000 1.249 374 I HN 0.709 nan 8.210 nan 0.000 0.429 375 A N 2.621 125.466 122.820 0.043 0.000 2.566 375 A HA 0.669 4.988 4.320 -0.001 0.000 0.297 375 A C -0.301 177.319 177.584 0.061 0.000 1.059 375 A CA -0.684 51.398 52.037 0.074 0.000 0.691 375 A CB 1.210 20.296 19.000 0.142 0.000 1.282 375 A HN 0.672 nan 8.150 nan 0.000 0.401 376 T N 1.173 115.777 114.554 0.083 0.000 3.781 376 T HA 0.329 4.678 4.350 -0.001 0.000 0.286 376 T C 0.621 175.372 174.700 0.086 0.000 1.277 376 T CA 0.011 62.180 62.100 0.115 0.000 1.136 376 T CB -0.267 68.752 68.868 0.252 0.000 1.202 376 T HN 0.555 nan 8.240 nan 0.000 0.884 377 L N 2.658 123.920 121.223 0.064 0.000 2.316 377 L HA 0.340 4.679 4.340 -0.001 0.000 0.207 377 L C 1.048 177.938 176.870 0.032 0.000 1.070 377 L CA 0.999 55.879 54.840 0.066 0.000 0.820 377 L CB 0.320 42.471 42.059 0.152 0.000 0.992 377 L HN 0.835 nan 8.230 nan 0.000 0.466 378 T N -4.675 109.890 114.554 0.019 0.000 2.921 378 T HA 0.492 4.841 4.350 -0.001 0.000 0.297 378 T C 0.903 175.588 174.700 -0.024 0.000 1.013 378 T CA -0.301 61.797 62.100 -0.002 0.000 0.990 378 T CB 1.351 70.221 68.868 0.002 0.000 1.023 378 T HN 0.083 nan 8.240 nan 0.000 0.447 379 G N 1.352 110.138 108.800 -0.023 0.000 2.448 379 G HA2 0.024 3.983 3.960 -0.001 0.000 0.219 379 G HA3 0.024 3.983 3.960 -0.001 0.000 0.219 379 G C 1.612 176.483 174.900 -0.048 0.000 1.127 379 G CA 0.694 45.771 45.100 -0.038 0.000 0.766 379 G HN 1.182 nan 8.290 nan 0.000 0.552 380 A N -0.182 122.616 122.820 -0.035 0.000 2.024 380 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 380 A C 2.504 180.058 177.584 -0.050 0.000 1.164 380 A CA 1.685 53.700 52.037 -0.037 0.000 0.643 380 A CB -1.062 17.922 19.000 -0.026 0.000 0.806 380 A HN 0.474 nan 8.150 nan 0.000 0.451 381 C N -0.557 118.710 119.300 -0.056 0.000 2.435 381 C HA -0.004 4.455 4.460 -0.001 0.000 0.279 381 C C 2.523 177.453 174.990 -0.099 0.000 1.321 381 C CA 0.900 59.874 59.018 -0.072 0.000 1.752 381 C CB -1.403 26.292 27.740 -0.076 0.000 1.959 381 C HN 0.613 nan 8.230 nan 0.000 0.500 382 I N 0.070 120.571 120.570 -0.115 0.000 2.252 382 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 382 I C 2.444 178.494 176.117 -0.111 0.000 1.102 382 I CA 1.174 62.389 61.300 -0.142 0.000 1.385 382 I CB -0.620 37.279 38.000 -0.167 0.000 1.064 382 I HN 0.111 nan 8.210 nan 0.000 0.414 383 V N 1.326 121.190 119.914 -0.083 0.000 2.332 383 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 383 V C 2.728 178.781 176.094 -0.067 0.000 1.055 383 V CA 2.168 64.428 62.300 -0.066 0.000 1.038 383 V CB -0.995 30.799 31.823 -0.047 0.000 0.651 383 V HN 0.507 nan 8.190 nan 0.000 0.450 384 A N -1.076 121.703 122.820 -0.067 0.000 1.898 384 A HA 0.058 4.377 4.320 -0.001 0.000 0.214 384 A C 2.000 179.531 177.584 -0.088 0.000 1.183 384 A CA 1.506 53.504 52.037 -0.066 0.000 0.622 384 A CB -0.156 18.813 19.000 -0.052 0.000 0.824 384 A HN 0.502 nan 8.150 nan 0.000 0.444 385 L N -2.425 118.740 121.223 -0.097 0.000 3.086 385 L HA 0.365 4.704 4.340 -0.001 0.000 0.274 385 L C 1.280 178.078 176.870 -0.120 0.000 1.184 385 L CA 0.163 54.936 54.840 -0.112 0.000 1.002 385 L CB 0.364 42.372 42.059 -0.086 0.000 1.383 385 L HN 0.628 nan 8.230 nan 0.000 0.582 386 G N 0.650 109.368 108.800 -0.136 0.000 2.552 386 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.265 386 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.265 386 G C 0.599 175.342 174.900 -0.262 0.000 1.234 386 G CA 0.236 45.229 45.100 -0.179 0.000 0.944 386 G HN 0.111 nan 8.290 nan 0.000 0.568 387 S N 0.147 115.605 115.700 -0.404 0.000 2.548 387 S HA 0.137 4.606 4.470 -0.001 0.000 0.215 387 S C 1.468 175.743 174.600 -0.541 0.000 0.976 387 S CA 1.053 58.933 58.200 -0.533 0.000 0.908 387 S CB -0.116 62.696 63.200 -0.646 0.000 0.781 387 S HN 0.582 nan 8.310 nan 0.000 0.519 388 H N 0.744 119.737 119.070 -0.128 0.000 2.582 388 H HA 0.268 4.823 4.556 -0.001 0.000 0.269 388 H C 0.017 175.293 175.328 -0.088 0.000 0.962 388 H CA 0.663 56.648 56.048 -0.104 0.000 1.230 388 H CB 0.482 30.185 29.762 -0.098 0.000 1.445 388 H HN 0.192 nan 8.280 nan 0.000 0.528 389 T N 1.208 115.756 114.554 -0.010 0.000 2.928 389 T HA 0.225 4.574 4.350 -0.001 0.000 0.296 389 T C -0.034 174.648 174.700 -0.030 0.000 1.000 389 T CA -0.589 61.513 62.100 0.003 0.000 0.989 389 T CB 2.584 71.458 68.868 0.010 0.000 1.005 389 T HN -0.079 nan 8.240 nan 0.000 0.442 390 T N 2.755 117.292 114.554 -0.028 0.000 2.901 390 T HA 0.442 4.791 4.350 -0.001 0.000 0.301 390 T C 1.024 175.695 174.700 -0.048 0.000 1.012 390 T CA -0.326 61.735 62.100 -0.065 0.000 1.135 390 T CB 0.630 69.450 68.868 -0.080 0.000 0.936 390 T HN 0.742 nan 8.240 nan 0.000 0.539 391 G N 1.991 110.738 108.800 -0.087 0.000 2.403 391 G HA2 0.485 4.444 3.960 -0.001 0.000 0.259 391 G HA3 0.485 4.444 3.960 -0.001 0.000 0.259 391 G C -0.963 173.839 174.900 -0.164 0.000 1.244 391 G CA -0.312 44.737 45.100 -0.084 0.000 0.849 391 G HN 0.587 nan 8.290 nan 0.000 0.532 392 L N 2.339 123.477 121.223 -0.140 0.000 2.410 392 L HA 0.848 5.187 4.340 -0.001 0.000 0.270 392 L C -0.468 176.285 176.870 -0.194 0.000 0.983 392 L CA -0.705 54.010 54.840 -0.209 0.000 0.822 392 L CB 1.978 43.925 42.059 -0.185 0.000 1.285 392 L HN 0.590 nan 8.230 nan 0.000 0.409 393 M N 3.170 122.633 119.600 -0.229 0.000 2.631 393 M HA 0.937 5.416 4.480 -0.001 0.000 0.288 393 M C -0.153 175.936 176.300 -0.352 0.000 1.260 393 M CA -0.304 54.883 55.300 -0.188 0.000 0.842 393 M CB 2.600 35.177 32.600 -0.039 0.000 1.743 393 M HN 0.745 nan 8.290 nan 0.000 0.461 394 G N 0.297 108.940 108.800 -0.262 0.000 2.441 394 G HA2 0.339 4.298 3.960 -0.001 0.000 0.294 394 G HA3 0.339 4.298 3.960 -0.001 0.000 0.294 394 G C -1.281 173.653 174.900 0.056 0.000 1.393 394 G CA -0.593 44.301 45.100 -0.343 0.000 0.796 394 G HN 0.787 nan 8.290 nan 0.000 0.494 395 N N -0.987 117.858 118.700 0.243 0.000 2.187 395 N HA 0.176 4.915 4.740 -0.001 0.000 0.212 395 N C -0.109 175.509 175.510 0.180 0.000 1.152 395 N CA -0.330 52.894 53.050 0.291 0.000 0.872 395 N CB 0.706 39.442 38.487 0.414 0.000 1.025 395 N HN 0.340 nan 8.380 nan 0.000 0.514 396 N N 0.034 118.808 118.700 0.124 0.000 2.430 396 N HA 0.248 4.987 4.740 -0.001 0.000 0.290 396 N C -0.519 175.020 175.510 0.049 0.000 1.063 396 N CA -0.371 52.736 53.050 0.095 0.000 0.883 396 N CB 1.743 40.301 38.487 0.120 0.000 1.465 396 N HN -0.183 nan 8.380 nan 0.000 0.493 397 D N 1.449 121.875 120.400 0.044 0.000 2.144 397 D HA -0.106 4.533 4.640 -0.001 0.000 0.200 397 D C 0.556 176.865 176.300 0.015 0.000 0.978 397 D CA 1.161 55.172 54.000 0.018 0.000 0.833 397 D CB 0.271 41.084 40.800 0.022 0.000 0.961 397 D HN 0.603 nan 8.370 nan 0.000 0.470 398 D N 0.169 120.592 120.400 0.038 0.000 2.117 398 D HA -0.117 4.522 4.640 -0.001 0.000 0.197 398 D C 2.104 178.441 176.300 0.061 0.000 0.987 398 D CA 0.316 54.345 54.000 0.048 0.000 0.829 398 D CB -0.294 40.545 40.800 0.065 0.000 0.961 398 D HN 0.119 nan 8.370 nan 0.000 0.460 399 L N 0.554 121.818 121.223 0.068 0.000 2.017 399 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 399 L C 2.214 179.073 176.870 -0.018 0.000 1.073 399 L CA 1.344 56.224 54.840 0.067 0.000 0.745 399 L CB -0.637 41.457 42.059 0.058 0.000 0.894 399 L HN -0.112 nan 8.230 nan 0.000 0.432 400 V N 0.355 120.237 119.914 -0.054 0.000 2.282 400 V HA -0.274 3.845 4.120 -0.001 0.000 0.249 400 V C 2.620 178.663 176.094 -0.086 0.000 1.057 400 V CA 1.953 64.189 62.300 -0.106 0.000 1.032 400 V CB -1.673 30.081 31.823 -0.116 0.000 0.645 400 V HN 0.656 nan 8.190 nan 0.000 0.447 401 G N -1.535 107.237 108.800 -0.048 0.000 2.422 401 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 401 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 401 G C 1.494 176.391 174.900 -0.004 0.000 1.146 401 G CA 0.730 45.807 45.100 -0.040 0.000 0.769 401 G HN 0.549 nan 8.290 nan 0.000 0.547 402 Q N -0.412 119.416 119.800 0.046 0.000 2.124 402 Q HA 0.056 4.395 4.340 -0.001 0.000 0.202 402 Q C 2.617 178.689 176.000 0.121 0.000 0.977 402 Q CA 0.830 56.708 55.803 0.124 0.000 0.850 402 Q CB -0.194 28.699 28.738 0.259 0.000 0.901 402 Q HN 0.446 nan 8.270 nan 0.000 0.429 403 L N 0.038 121.265 121.223 0.007 0.000 2.072 403 L HA -0.172 4.168 4.340 -0.001 0.000 0.205 403 L C 2.221 179.061 176.870 -0.050 0.000 1.079 403 L CA 0.748 55.541 54.840 -0.079 0.000 0.752 403 L CB -0.317 41.610 42.059 -0.220 0.000 0.906 403 L HN 0.243 nan 8.230 nan 0.000 0.436 404 L N -0.331 120.853 121.223 -0.065 0.000 2.012 404 L HA -0.268 4.071 4.340 -0.001 0.000 0.210 404 L C 2.192 179.051 176.870 -0.019 0.000 1.073 404 L CA 1.564 56.367 54.840 -0.062 0.000 0.748 404 L CB -0.528 41.461 42.059 -0.116 0.000 0.891 404 L HN 0.277 nan 8.230 nan 0.000 0.431 405 D N -0.310 120.089 120.400 -0.002 0.000 2.117 405 D HA -0.149 4.490 4.640 -0.001 0.000 0.198 405 D C 2.178 178.500 176.300 0.037 0.000 0.982 405 D CA 1.213 55.224 54.000 0.018 0.000 0.828 405 D CB 0.110 40.924 40.800 0.023 0.000 0.967 405 D HN 0.257 nan 8.370 nan 0.000 0.464 406 A N 0.100 122.953 122.820 0.054 0.000 1.908 406 A HA -0.067 4.252 4.320 -0.001 0.000 0.218 406 A C 2.374 179.985 177.584 0.044 0.000 1.181 406 A CA 2.141 54.217 52.037 0.064 0.000 0.627 406 A CB -1.406 17.661 19.000 0.111 0.000 0.818 406 A HN 0.367 nan 8.150 nan 0.000 0.445 407 G N -0.486 108.329 108.800 0.026 0.000 2.422 407 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 407 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 407 G C 1.674 176.595 174.900 0.034 0.000 1.146 407 G CA 1.121 46.234 45.100 0.021 0.000 0.769 407 G HN 0.601 nan 8.290 nan 0.000 0.547 408 K N -0.021 120.402 120.400 0.038 0.000 2.026 408 K HA -0.004 4.315 4.320 -0.001 0.000 0.208 408 K C 2.682 179.309 176.600 0.046 0.000 1.048 408 K CA 0.903 57.217 56.287 0.045 0.000 0.929 408 K CB -0.155 32.371 32.500 0.043 0.000 0.713 408 K HN 0.129 nan 8.250 nan 0.000 0.439 409 R N 0.166 120.697 120.500 0.052 0.000 2.148 409 R HA -0.006 4.333 4.340 -0.001 0.000 0.223 409 R C 1.991 178.330 176.300 0.065 0.000 1.088 409 R CA 1.009 57.149 56.100 0.067 0.000 0.985 409 R CB -0.045 30.306 30.300 0.085 0.000 0.880 409 R HN 0.156 nan 8.270 nan 0.000 0.451 410 A N 0.724 123.576 122.820 0.052 0.000 2.218 410 A HA -0.035 4.284 4.320 -0.001 0.000 0.209 410 A C 0.243 177.846 177.584 0.032 0.000 1.168 410 A CA 0.354 52.416 52.037 0.042 0.000 0.804 410 A CB 0.127 19.148 19.000 0.035 0.000 0.834 410 A HN 0.356 nan 8.150 nan 0.000 0.482 411 D N -0.644 119.776 120.400 0.035 0.000 2.689 411 D HA -0.174 4.465 4.640 -0.001 0.000 0.237 411 D C -0.555 175.757 176.300 0.020 0.000 1.148 411 D CA 1.290 55.308 54.000 0.029 0.000 0.656 411 D CB -1.160 39.659 40.800 0.032 0.000 1.050 411 D HN 0.421 nan 8.370 nan 0.000 0.426 412 D N 0.217 120.629 120.400 0.019 0.000 2.621 412 D HA 0.220 4.859 4.640 -0.001 0.000 0.274 412 D C -0.258 176.049 176.300 0.011 0.000 1.215 412 D CA -0.451 53.553 54.000 0.008 0.000 0.810 412 D CB 0.144 40.944 40.800 -0.001 0.000 1.248 412 D HN 0.239 nan 8.370 nan 0.000 0.517 413 R N 0.600 121.116 120.500 0.026 0.000 2.582 413 R HA 0.721 5.060 4.340 -0.001 0.000 0.271 413 R C 0.100 176.428 176.300 0.047 0.000 1.078 413 R CA -0.258 55.871 56.100 0.049 0.000 1.127 413 R CB 1.352 31.701 30.300 0.081 0.000 1.038 413 R HN 0.310 nan 8.270 nan 0.000 0.500 414 A N 2.064 124.919 122.820 0.060 0.000 2.389 414 A HA 0.668 4.988 4.320 -0.001 0.000 0.293 414 A C -1.769 175.925 177.584 0.184 0.000 1.186 414 A CA -0.586 51.488 52.037 0.062 0.000 0.828 414 A CB 1.659 20.642 19.000 -0.028 0.000 1.369 414 A HN 0.739 nan 8.150 nan 0.000 0.446 415 W N 0.726 121.975 121.300 -0.086 0.000 3.439 415 W HA 0.338 4.997 4.660 -0.001 0.000 0.323 415 W C -1.224 175.240 176.519 -0.092 0.000 1.174 415 W CA -0.174 57.126 57.345 -0.074 0.000 1.224 415 W CB 1.440 30.862 29.460 -0.063 0.000 1.348 415 W HN 0.942 nan 8.180 nan 0.000 0.498 416 Q N 3.909 123.420 119.800 -0.481 0.000 2.327 416 Q HA 0.459 4.798 4.340 -0.001 0.000 0.254 416 Q C -1.061 174.847 176.000 -0.153 0.000 0.952 416 Q CA 0.142 55.768 55.803 -0.295 0.000 0.884 416 Q CB 1.101 29.634 28.738 -0.341 0.000 1.224 416 Q HN 0.554 nan 8.270 nan 0.000 0.422 417 L N 5.280 126.438 121.223 -0.108 0.000 2.342 417 L HA 0.618 4.957 4.340 -0.001 0.000 0.271 417 L C -2.190 174.557 176.870 -0.205 0.000 1.008 417 L CA -2.339 52.435 54.840 -0.111 0.000 0.818 417 L CB 2.000 44.007 42.059 -0.086 0.000 1.296 417 L HN 0.652 nan 8.230 nan 0.000 0.427 418 P HA 0.207 nan 4.420 nan 0.000 0.284 418 P C -0.659 176.399 177.300 -0.403 0.000 1.253 418 P CA -0.310 62.467 63.100 -0.539 0.000 0.800 418 P CB 1.220 32.148 31.700 -1.288 0.000 0.961 419 L N 2.914 124.032 121.223 -0.176 0.000 3.029 419 L HA 0.274 4.614 4.340 -0.001 0.000 0.231 419 L C 0.209 177.235 176.870 0.261 0.000 1.327 419 L CA -0.744 54.125 54.840 0.048 0.000 1.166 419 L CB -0.742 41.399 42.059 0.136 0.000 1.532 419 L HN 0.178 nan 8.230 nan 0.000 0.473 420 F N 0.350 120.506 119.950 0.344 0.000 2.595 420 F HA -0.099 4.427 4.527 -0.001 0.000 0.359 420 F C 1.680 177.606 175.800 0.211 0.000 1.147 420 F CA -0.116 58.039 58.000 0.259 0.000 1.341 420 F CB 0.161 39.281 39.000 0.200 0.000 1.104 420 F HN 0.197 nan 8.300 nan 0.000 0.603 421 D N 0.980 121.556 120.400 0.293 0.000 2.218 421 D HA -0.165 4.474 4.640 -0.001 0.000 0.204 421 D C 1.641 178.001 176.300 0.099 0.000 0.976 421 D CA 1.339 55.434 54.000 0.160 0.000 0.853 421 D CB 0.174 41.023 40.800 0.082 0.000 0.939 421 D HN 0.579 nan 8.370 nan 0.000 0.481 422 E N -0.990 119.223 120.200 0.022 0.000 2.209 422 E HA -0.190 4.159 4.350 -0.001 0.000 0.196 422 E C 1.436 177.968 176.600 -0.112 0.000 0.993 422 E CA 0.921 57.257 56.400 -0.106 0.000 0.819 422 E CB -0.277 29.278 29.700 -0.242 0.000 0.745 422 E HN 0.563 nan 8.360 nan 0.000 0.477 423 Y N 0.583 120.959 120.300 0.126 0.000 2.395 423 Y HA -0.090 4.459 4.550 -0.001 0.000 0.293 423 Y C 2.199 178.151 175.900 0.086 0.000 1.123 423 Y CA 0.655 58.816 58.100 0.101 0.000 1.227 423 Y CB -0.102 38.419 38.460 0.103 0.000 1.012 423 Y HN -0.016 nan 8.280 nan 0.000 0.552 424 Q N 0.858 120.785 119.800 0.212 0.000 2.133 424 Q HA -0.277 4.062 4.340 -0.001 0.000 0.208 424 Q C 2.045 178.108 176.000 0.106 0.000 0.991 424 Q CA 2.055 57.942 55.803 0.141 0.000 0.867 424 Q CB -0.647 28.146 28.738 0.092 0.000 0.911 424 Q HN 0.798 nan 8.270 nan 0.000 0.417 425 E N 0.440 120.686 120.200 0.078 0.000 2.333 425 E HA -0.208 4.141 4.350 -0.001 0.000 0.198 425 E C 1.629 178.268 176.600 0.064 0.000 1.007 425 E CA 0.901 57.332 56.400 0.052 0.000 0.845 425 E CB -0.182 29.533 29.700 0.025 0.000 0.766 425 E HN 0.416 nan 8.360 nan 0.000 0.507 426 Q N 0.277 120.134 119.800 0.095 0.000 2.291 426 Q HA -0.047 4.292 4.340 -0.001 0.000 0.206 426 Q C 1.855 177.914 176.000 0.097 0.000 0.976 426 Q CA 0.949 56.811 55.803 0.097 0.000 0.875 426 Q CB -0.028 28.789 28.738 0.133 0.000 0.927 426 Q HN 0.455 nan 8.270 nan 0.000 0.450 427 L N 0.521 121.812 121.223 0.113 0.000 2.592 427 L HA 0.066 4.406 4.340 -0.001 0.000 0.227 427 L C -0.054 176.876 176.870 0.099 0.000 1.127 427 L CA -0.383 54.537 54.840 0.134 0.000 0.884 427 L CB 0.067 42.241 42.059 0.192 0.000 1.065 427 L HN 0.017 nan 8.230 nan 0.000 0.457 428 D N 0.761 121.197 120.400 0.060 0.000 2.443 428 D HA 0.068 4.707 4.640 -0.001 0.000 0.239 428 D C 0.235 176.545 176.300 0.017 0.000 1.136 428 D CA 0.503 54.520 54.000 0.028 0.000 0.879 428 D CB 1.247 42.049 40.800 0.003 0.000 1.195 428 D HN -0.075 nan 8.370 nan 0.000 0.443 429 S N 1.325 117.024 115.700 -0.001 0.000 2.526 429 S HA 0.483 4.952 4.470 -0.001 0.000 0.293 429 S C -2.012 172.497 174.600 -0.151 0.000 1.092 429 S CA -1.442 56.739 58.200 -0.032 0.000 0.980 429 S CB 1.679 64.916 63.200 0.062 0.000 1.048 429 S HN 0.104 nan 8.310 nan 0.000 0.483 430 P HA 0.127 nan 4.420 nan 0.000 0.233 430 P C 0.328 177.276 177.300 -0.586 0.000 1.167 430 P CA 0.787 63.538 63.100 -0.582 0.000 0.770 430 P CB -0.038 31.096 31.700 -0.944 0.000 0.837 431 F N -0.432 119.535 119.950 0.027 0.000 2.537 431 F HA 0.419 4.945 4.527 -0.001 0.000 0.277 431 F C 1.627 177.444 175.800 0.028 0.000 1.013 431 F CA -0.210 57.806 58.000 0.026 0.000 1.332 431 F CB -1.011 38.006 39.000 0.029 0.000 1.108 431 F HN -0.184 nan 8.300 nan 0.000 0.679 432 A N -0.001 122.940 122.820 0.202 0.000 2.284 432 A HA 0.412 4.732 4.320 -0.001 0.000 0.317 432 A C 0.654 178.284 177.584 0.077 0.000 1.120 432 A CA -0.314 51.806 52.037 0.139 0.000 0.900 432 A CB 0.113 19.208 19.000 0.158 0.000 1.319 432 A HN 0.118 nan 8.150 nan 0.000 0.494 433 D N -0.263 120.172 120.400 0.058 0.000 2.218 433 D HA -0.011 4.629 4.640 -0.001 0.000 0.204 433 D C 0.683 176.994 176.300 0.019 0.000 0.976 433 D CA 2.023 56.031 54.000 0.014 0.000 0.853 433 D CB -0.158 40.629 40.800 -0.022 0.000 0.939 433 D HN 0.616 nan 8.370 nan 0.000 0.481 434 M N -2.619 117.026 119.600 0.074 0.000 2.732 434 M HA 0.565 5.045 4.480 -0.001 0.000 0.272 434 M C -0.531 175.883 176.300 0.190 0.000 1.203 434 M CA -0.979 54.390 55.300 0.116 0.000 0.841 434 M CB 1.935 34.603 32.600 0.113 0.000 1.685 434 M HN -0.187 nan 8.290 nan 0.000 0.492 435 G N 0.579 109.499 108.800 0.199 0.000 2.511 435 G HA2 0.433 4.393 3.960 -0.001 0.000 0.316 435 G HA3 0.433 4.393 3.960 -0.001 0.000 0.316 435 G C 0.106 175.167 174.900 0.269 0.000 1.210 435 G CA -0.406 44.816 45.100 0.203 0.000 0.969 435 G HN 0.946 nan 8.290 nan 0.000 0.492 436 N N -0.957 117.814 118.700 0.119 0.000 2.280 436 N HA 0.036 4.775 4.740 -0.001 0.000 0.192 436 N C 0.467 175.866 175.510 -0.184 0.000 1.109 436 N CA -0.004 52.956 53.050 -0.150 0.000 0.855 436 N CB 0.019 38.336 38.487 -0.283 0.000 0.974 436 N HN 0.629 nan 8.380 nan 0.000 0.482 437 I N -5.603 114.951 120.570 -0.027 0.000 2.828 437 I HA 0.726 4.895 4.170 -0.001 0.000 0.302 437 I C 0.355 176.497 176.117 0.042 0.000 1.101 437 I CA -1.348 59.942 61.300 -0.016 0.000 1.031 437 I CB 2.224 40.215 38.000 -0.016 0.000 1.231 437 I HN -0.212 nan 8.210 nan 0.000 0.427 438 G N 1.786 110.612 108.800 0.043 0.000 3.377 438 G HA2 0.590 4.549 3.960 -0.001 0.000 0.257 438 G HA3 0.590 4.549 3.960 -0.001 0.000 0.257 438 G C 0.537 175.474 174.900 0.060 0.000 1.038 438 G CA -0.068 45.074 45.100 0.070 0.000 0.809 438 G HN 1.481 nan 8.290 nan 0.000 0.526 439 G N 0.804 109.629 108.800 0.041 0.000 2.698 439 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.225 439 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.225 439 G C -1.118 173.802 174.900 0.034 0.000 1.345 439 G CA -0.113 45.010 45.100 0.037 0.000 0.871 439 G HN 0.142 nan 8.290 nan 0.000 0.540 440 P HA 0.136 nan 4.420 nan 0.000 0.236 440 P C 0.379 177.699 177.300 0.033 0.000 1.177 440 P CA 0.861 63.976 63.100 0.025 0.000 0.773 440 P CB 0.170 31.884 31.700 0.022 0.000 0.878 441 K N 0.621 121.052 120.400 0.051 0.000 2.183 441 K HA 0.525 4.844 4.320 -0.001 0.000 0.274 441 K C 0.254 176.899 176.600 0.075 0.000 1.009 441 K CA -0.279 56.050 56.287 0.070 0.000 0.888 441 K CB 0.981 33.539 32.500 0.097 0.000 1.078 441 K HN -0.064 nan 8.250 nan 0.000 0.459 442 A N 2.434 125.282 122.820 0.047 0.000 2.800 442 A HA -0.174 4.145 4.320 -0.001 0.000 0.292 442 A C 1.240 178.798 177.584 -0.043 0.000 1.474 442 A CA 0.815 52.838 52.037 -0.023 0.000 0.744 442 A CB -2.198 16.777 19.000 -0.041 0.000 1.044 442 A HN 1.090 nan 8.150 nan 0.000 0.489 443 G N -0.930 107.859 108.800 -0.018 0.000 2.408 443 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.217 443 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.217 443 G C 1.362 176.253 174.900 -0.015 0.000 1.150 443 G CA 1.921 47.014 45.100 -0.010 0.000 0.776 443 G HN 0.812 nan 8.290 nan 0.000 0.542 444 T N 1.242 115.780 114.554 -0.028 0.000 2.777 444 T HA -0.015 4.334 4.350 -0.001 0.000 0.266 444 T C 2.371 177.069 174.700 -0.003 0.000 1.040 444 T CA 0.824 62.921 62.100 -0.005 0.000 1.141 444 T CB -0.104 68.748 68.868 -0.025 0.000 0.868 444 T HN 0.241 nan 8.240 nan 0.000 0.444 445 I N 1.782 122.293 120.570 -0.099 0.000 2.252 445 I HA -0.163 4.007 4.170 -0.001 0.000 0.245 445 I C 2.906 178.983 176.117 -0.068 0.000 1.102 445 I CA 1.483 62.679 61.300 -0.174 0.000 1.385 445 I CB -0.572 37.112 38.000 -0.527 0.000 1.064 445 I HN 0.397 nan 8.210 nan 0.000 0.414 446 T N -1.076 113.460 114.554 -0.030 0.000 2.951 446 T HA 0.014 4.363 4.350 -0.001 0.000 0.268 446 T C 1.958 176.726 174.700 0.113 0.000 1.073 446 T CA 0.789 62.932 62.100 0.070 0.000 1.134 446 T CB -0.320 68.603 68.868 0.091 0.000 0.884 446 T HN 0.309 nan 8.240 nan 0.000 0.479 447 A N 1.952 124.816 122.820 0.072 0.000 1.902 447 A HA 0.264 4.583 4.320 -0.001 0.000 0.217 447 A C 2.720 180.369 177.584 0.108 0.000 1.181 447 A CA 1.575 53.654 52.037 0.070 0.000 0.623 447 A CB -1.618 17.401 19.000 0.032 0.000 0.818 447 A HN 0.587 nan 8.150 nan 0.000 0.443 448 G N -0.861 108.011 108.800 0.119 0.000 2.440 448 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.218 448 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.218 448 G C 1.597 176.660 174.900 0.272 0.000 1.154 448 G CA 1.321 46.535 45.100 0.190 0.000 0.767 448 G HN 0.516 nan 8.290 nan 0.000 0.552 449 C N -0.294 119.131 119.300 0.209 0.000 2.429 449 C HA -0.010 4.450 4.460 -0.001 0.000 0.277 449 C C 2.423 177.527 174.990 0.190 0.000 1.262 449 C CA 0.729 59.865 59.018 0.196 0.000 1.733 449 C CB -1.211 26.639 27.740 0.184 0.000 2.010 449 C HN 0.482 nan 8.230 nan 0.000 0.483 450 F N 1.422 121.424 119.950 0.086 0.000 2.095 450 F HA -0.164 4.362 4.527 -0.001 0.000 0.298 450 F C 2.105 178.009 175.800 0.173 0.000 1.104 450 F CA 1.715 59.787 58.000 0.119 0.000 1.232 450 F CB -0.414 38.640 39.000 0.089 0.000 0.987 450 F HN 0.117 nan 8.300 nan 0.000 0.475 451 L N 0.031 121.432 121.223 0.297 0.000 2.131 451 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 451 L C 2.740 179.460 176.870 -0.250 0.000 1.092 451 L CA 1.332 56.235 54.840 0.105 0.000 0.759 451 L CB -1.066 41.070 42.059 0.128 0.000 0.903 451 L HN 0.345 nan 8.230 nan 0.000 0.435 452 S N 0.134 115.661 115.700 -0.288 0.000 2.419 452 S HA -0.216 4.253 4.470 -0.001 0.000 0.235 452 S C 1.977 176.332 174.600 -0.408 0.000 1.019 452 S CA 0.871 58.743 58.200 -0.547 0.000 0.982 452 S CB -0.443 62.742 63.200 -0.025 0.000 0.789 452 S HN 0.421 nan 8.310 nan 0.000 0.490 453 R N -0.357 119.949 120.500 -0.323 0.000 2.328 453 R HA 0.112 4.451 4.340 -0.001 0.000 0.207 453 R C 0.520 176.361 176.300 -0.766 0.000 1.056 453 R CA 1.015 56.801 56.100 -0.524 0.000 1.016 453 R CB -0.303 29.596 30.300 -0.667 0.000 0.872 453 R HN 0.553 nan 8.270 nan 0.000 0.471 454 F N -1.485 118.209 119.950 -0.427 0.000 2.682 454 F HA 0.319 4.845 4.527 -0.001 0.000 0.308 454 F C 1.391 176.922 175.800 -0.448 0.000 1.093 454 F CA -0.283 57.501 58.000 -0.360 0.000 1.244 454 F CB 0.760 39.596 39.000 -0.272 0.000 1.052 454 F HN -0.115 nan 8.300 nan 0.000 0.573 455 A N -0.504 122.014 122.820 -0.504 0.000 2.535 455 A HA 0.228 4.547 4.320 -0.001 0.000 0.273 455 A C 1.663 178.854 177.584 -0.655 0.000 1.267 455 A CA -0.193 51.413 52.037 -0.719 0.000 0.940 455 A CB -0.291 18.021 19.000 -1.148 0.000 1.101 455 A HN 0.174 nan 8.150 nan 0.000 0.521 456 K N -0.000 120.110 120.400 -0.484 0.000 2.365 456 K HA 0.034 4.353 4.320 -0.001 0.000 0.199 456 K C 1.747 178.161 176.600 -0.309 0.000 1.045 456 K CA 0.906 57.007 56.287 -0.310 0.000 0.962 456 K CB -0.022 32.335 32.500 -0.237 0.000 0.759 456 K HN 0.439 nan 8.250 nan 0.000 0.469 457 A N 0.796 123.316 122.820 -0.499 0.000 2.206 457 A HA -0.008 4.312 4.320 -0.001 0.000 0.211 457 A C 0.159 177.649 177.584 -0.157 0.000 1.158 457 A CA 0.607 52.449 52.037 -0.325 0.000 0.761 457 A CB -0.317 18.515 19.000 -0.279 0.000 0.801 457 A HN 0.353 nan 8.150 nan 0.000 0.473 458 Y N -3.864 116.467 120.300 0.052 0.000 2.725 458 Y HA 0.501 5.050 4.550 -0.002 0.000 0.333 458 Y C -0.950 175.035 175.900 0.143 0.000 1.242 458 Y CA -2.808 55.345 58.100 0.088 0.000 1.059 458 Y CB -0.214 38.305 38.460 0.099 0.000 1.306 458 Y HN 0.011 nan 8.280 nan 0.000 0.454 459 N N 0.694 119.651 118.700 0.429 0.000 2.442 459 N HA 0.335 5.075 4.740 -0.001 0.000 0.265 459 N C -1.731 174.060 175.510 0.467 0.000 1.138 459 N CA -0.090 53.170 53.050 0.350 0.000 0.956 459 N CB 0.766 39.384 38.487 0.219 0.000 1.067 459 N HN 0.699 nan 8.380 nan 0.000 0.474 460 W N 3.089 124.527 121.300 0.229 0.000 3.022 460 W HA 0.699 5.358 4.660 -0.002 0.000 0.335 460 W C -1.740 174.857 176.519 0.131 0.000 1.133 460 W CA -0.588 56.890 57.345 0.222 0.000 1.219 460 W CB 1.051 30.724 29.460 0.355 0.000 1.409 460 W HN 0.454 nan 8.180 nan 0.000 0.507 461 A N 4.191 126.580 122.820 -0.717 0.000 2.515 461 A HA 0.625 4.944 4.320 -0.001 0.000 0.296 461 A C -2.066 174.891 177.584 -1.046 0.000 1.094 461 A CA -0.673 50.788 52.037 -0.961 0.000 0.718 461 A CB 1.735 20.454 19.000 -0.468 0.000 1.307 461 A HN 0.864 nan 8.150 nan 0.000 0.408 462 H N 1.751 120.278 119.070 -0.905 0.000 2.689 462 H HA 0.655 5.210 4.556 -0.002 0.000 0.346 462 H C -1.671 173.506 175.328 -0.251 0.000 1.037 462 H CA -0.765 55.027 56.048 -0.427 0.000 1.234 462 H CB 1.150 30.747 29.762 -0.275 0.000 1.572 462 H HN 0.630 nan 8.280 nan 0.000 0.524 463 M N 4.409 123.685 119.600 -0.540 0.000 2.125 463 M HA 0.115 4.594 4.480 -0.001 0.000 0.321 463 M C -0.864 175.136 176.300 -0.501 0.000 0.983 463 M CA -0.733 54.286 55.300 -0.468 0.000 0.934 463 M CB 1.685 34.134 32.600 -0.252 0.000 1.542 463 M HN 0.472 nan 8.290 nan 0.000 0.424 464 D N 4.749 124.862 120.400 -0.479 0.000 2.396 464 D HA 0.296 4.936 4.640 -0.001 0.000 0.225 464 D C 0.240 176.444 176.300 -0.160 0.000 1.121 464 D CA -0.291 53.550 54.000 -0.266 0.000 0.853 464 D CB 0.735 41.417 40.800 -0.195 0.000 1.043 464 D HN 0.706 nan 8.370 nan 0.000 0.500 465 I N 0.770 121.275 120.570 -0.107 0.000 3.889 465 I HA 0.355 4.524 4.170 -0.001 0.000 0.332 465 I C 1.540 177.592 176.117 -0.108 0.000 1.493 465 I CA -0.578 60.663 61.300 -0.098 0.000 1.158 465 I CB 0.565 38.529 38.000 -0.060 0.000 1.117 465 I HN 0.179 nan 8.210 nan 0.000 0.411 466 A N 1.846 124.601 122.820 -0.108 0.000 1.986 466 A HA -0.076 4.243 4.320 -0.001 0.000 0.220 466 A C 2.241 179.569 177.584 -0.427 0.000 1.171 466 A CA 2.064 53.999 52.037 -0.170 0.000 0.640 466 A CB -1.054 17.885 19.000 -0.103 0.000 0.811 466 A HN 0.596 nan 8.150 nan 0.000 0.451 467 G N -1.836 106.756 108.800 -0.347 0.000 2.662 467 G HA2 0.120 4.079 3.960 -0.001 0.000 0.212 467 G HA3 0.120 4.079 3.960 -0.001 0.000 0.212 467 G C 1.376 176.023 174.900 -0.423 0.000 1.141 467 G CA 1.431 46.282 45.100 -0.416 0.000 0.797 467 G HN 0.681 nan 8.290 nan 0.000 0.531 468 T N -2.810 111.556 114.554 -0.314 0.000 3.023 468 T HA 0.489 4.839 4.350 -0.001 0.000 0.253 468 T C 2.181 176.762 174.700 -0.198 0.000 1.038 468 T CA 0.948 62.905 62.100 -0.239 0.000 0.962 468 T CB 0.698 69.474 68.868 -0.152 0.000 1.018 468 T HN 0.155 nan 8.240 nan 0.000 0.521 469 A N 0.920 123.631 122.820 -0.182 0.000 2.072 469 A HA 0.512 4.831 4.320 -0.001 0.000 0.216 469 A C 0.563 178.175 177.584 0.046 0.000 1.156 469 A CA -0.006 52.027 52.037 -0.006 0.000 0.701 469 A CB -0.507 18.597 19.000 0.172 0.000 0.816 469 A HN 0.874 nan 8.150 nan 0.000 0.458 470 W N -2.655 118.463 121.300 -0.303 0.000 3.074 470 W HA 0.696 5.355 4.660 -0.001 0.000 0.332 470 W C -1.646 174.682 176.519 -0.319 0.000 1.253 470 W CA -1.212 55.860 57.345 -0.456 0.000 1.180 470 W CB 0.345 29.245 29.460 -0.933 0.000 1.445 470 W HN -0.130 nan 8.180 nan 0.000 0.573 471 I N 2.829 123.345 120.570 -0.090 0.000 2.359 471 I HA 0.204 4.373 4.170 -0.001 0.000 0.294 471 I C 0.830 176.998 176.117 0.085 0.000 0.987 471 I CA -0.458 60.785 61.300 -0.094 0.000 1.225 471 I CB 1.934 39.894 38.000 -0.066 0.000 1.366 471 I HN 0.691 nan 8.210 nan 0.000 0.466 472 S N 3.210 118.933 115.700 0.038 0.000 2.395 472 S HA 0.129 4.598 4.470 -0.001 0.000 0.225 472 S C 0.688 175.374 174.600 0.143 0.000 1.027 472 S CA 0.881 59.191 58.200 0.183 0.000 0.965 472 S CB 0.161 63.419 63.200 0.097 0.000 0.812 472 S HN 0.897 nan 8.310 nan 0.000 0.482 473 G N -1.445 107.398 108.800 0.072 0.000 2.749 473 G HA2 0.566 4.525 3.960 -0.001 0.000 0.300 473 G HA3 0.566 4.525 3.960 -0.001 0.000 0.300 473 G C -0.234 174.691 174.900 0.040 0.000 1.352 473 G CA -0.091 45.045 45.100 0.060 0.000 0.789 473 G HN 0.753 nan 8.290 nan 0.000 0.509 474 G N -0.794 108.028 108.800 0.036 0.000 2.782 474 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.228 474 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.228 474 G C 0.755 175.679 174.900 0.040 0.000 1.372 474 G CA 0.438 45.556 45.100 0.030 0.000 0.862 474 G HN 0.851 nan 8.290 nan 0.000 0.547 475 K N -0.268 120.153 120.400 0.035 0.000 2.280 475 K HA -0.048 4.272 4.320 -0.001 0.000 0.202 475 K C 1.015 177.648 176.600 0.054 0.000 1.047 475 K CA 1.606 57.919 56.287 0.043 0.000 0.942 475 K CB 0.001 32.522 32.500 0.035 0.000 0.739 475 K HN 0.411 nan 8.250 nan 0.000 0.457 476 D N 0.659 121.086 120.400 0.046 0.000 2.424 476 D HA -0.007 4.632 4.640 -0.001 0.000 0.220 476 D C -0.212 176.117 176.300 0.049 0.000 1.150 476 D CA 0.029 54.058 54.000 0.048 0.000 0.831 476 D CB 0.156 40.973 40.800 0.027 0.000 0.981 476 D HN 0.075 nan 8.370 nan 0.000 0.500 477 K N 1.086 121.524 120.400 0.063 0.000 2.530 477 K HA 0.218 4.537 4.320 -0.001 0.000 0.280 477 K C 0.421 177.072 176.600 0.085 0.000 1.004 477 K CA 0.584 56.920 56.287 0.083 0.000 1.071 477 K CB 0.159 32.724 32.500 0.108 0.000 0.876 477 K HN 0.187 nan 8.250 nan 0.000 0.487 478 G N 1.675 110.494 108.800 0.032 0.000 2.369 478 G HA2 0.293 4.253 3.960 -0.001 0.000 0.307 478 G HA3 0.293 4.253 3.960 -0.001 0.000 0.307 478 G C -1.237 173.516 174.900 -0.245 0.000 1.327 478 G CA -0.570 44.511 45.100 -0.032 0.000 0.963 478 G HN 0.792 nan 8.290 nan 0.000 0.590 479 A N -0.593 122.055 122.820 -0.287 0.000 2.483 479 A HA 0.577 4.896 4.320 -0.001 0.000 0.238 479 A C 1.704 179.174 177.584 -0.191 0.000 1.070 479 A CA 1.478 53.355 52.037 -0.267 0.000 0.770 479 A CB 0.166 19.100 19.000 -0.111 0.000 1.008 479 A HN 2.214 nan 8.150 nan 0.000 0.497 480 T N -1.114 113.353 114.554 -0.146 0.000 3.051 480 T HA 0.399 4.748 4.350 -0.001 0.000 0.255 480 T C 1.446 176.064 174.700 -0.136 0.000 1.085 480 T CA 1.089 63.107 62.100 -0.136 0.000 1.109 480 T CB 0.012 68.813 68.868 -0.111 0.000 0.921 480 T HN 2.410 nan 8.240 nan 0.000 0.488 481 G N 1.838 110.568 108.800 -0.115 0.000 2.176 481 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.253 481 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.253 481 G C 0.200 175.069 174.900 -0.052 0.000 0.979 481 G CA -0.091 44.958 45.100 -0.085 0.000 0.641 481 G HN 0.686 nan 8.290 nan 0.000 0.530 482 R N 0.913 121.380 120.500 -0.055 0.000 2.490 482 R HA 0.434 4.773 4.340 -0.001 0.000 0.280 482 R C -1.989 174.289 176.300 -0.036 0.000 1.077 482 R CA -0.984 55.089 56.100 -0.045 0.000 1.065 482 R CB 1.072 31.337 30.300 -0.057 0.000 1.003 482 R HN 0.126 nan 8.270 nan 0.000 0.470 483 P HA 0.095 nan 4.420 nan 0.000 0.240 483 P C 0.544 177.829 177.300 -0.024 0.000 1.854 483 P CA -0.080 62.998 63.100 -0.036 0.000 1.081 483 P CB 0.438 32.106 31.700 -0.053 0.000 1.646 484 V N 1.393 121.298 119.914 -0.015 0.000 2.324 484 V HA -0.169 3.950 4.120 -0.001 0.000 0.250 484 V C -0.338 175.756 176.094 0.001 0.000 1.060 484 V CA 2.439 64.738 62.300 -0.001 0.000 1.042 484 V CB -2.146 29.684 31.823 0.012 0.000 0.650 484 V HN 0.268 nan 8.190 nan 0.000 0.450 485 P HA -0.153 nan 4.420 nan 0.000 0.215 485 P C 2.019 179.325 177.300 0.010 0.000 1.157 485 P CA 1.362 64.466 63.100 0.007 0.000 0.863 485 P CB -0.035 31.668 31.700 0.005 0.000 0.787 486 L N -1.046 120.179 121.223 0.002 0.000 1.989 486 L HA -0.184 4.155 4.340 -0.001 0.000 0.211 486 L C 2.266 179.150 176.870 0.023 0.000 1.071 486 L CA 1.709 56.553 54.840 0.007 0.000 0.749 486 L CB -0.784 41.263 42.059 -0.019 0.000 0.890 486 L HN -0.111 nan 8.230 nan 0.000 0.431 487 L N -0.859 120.366 121.223 0.004 0.000 2.046 487 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 487 L C 2.499 179.402 176.870 0.055 0.000 1.077 487 L CA 1.804 56.658 54.840 0.024 0.000 0.747 487 L CB -0.956 41.098 42.059 -0.007 0.000 0.896 487 L HN 0.304 nan 8.230 nan 0.000 0.432 488 T N -1.360 113.203 114.554 0.015 0.000 2.746 488 T HA -0.265 4.084 4.350 -0.001 0.000 0.267 488 T C 1.812 176.492 174.700 -0.033 0.000 1.039 488 T CA 1.463 63.553 62.100 -0.017 0.000 1.142 488 T CB -0.185 68.671 68.868 -0.020 0.000 0.866 488 T HN 0.199 nan 8.240 nan 0.000 0.444 489 Q N 0.392 120.192 119.800 0.000 0.000 2.096 489 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 489 Q C 1.933 177.931 176.000 -0.003 0.000 0.982 489 Q CA 1.660 57.464 55.803 0.002 0.000 0.850 489 Q CB -0.720 28.041 28.738 0.039 0.000 0.901 489 Q HN 0.720 nan 8.270 nan 0.000 0.422 490 Y N -0.032 120.212 120.300 -0.093 0.000 2.165 490 Y HA -0.197 4.352 4.550 -0.001 0.000 0.286 490 Y C 1.572 177.352 175.900 -0.199 0.000 1.155 490 Y CA 1.888 59.915 58.100 -0.121 0.000 1.164 490 Y CB -0.167 38.227 38.460 -0.110 0.000 0.978 490 Y HN 0.174 nan 8.280 nan 0.000 0.513 491 L N -0.584 120.468 121.223 -0.285 0.000 2.156 491 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 491 L C 2.430 179.084 176.870 -0.360 0.000 1.095 491 L CA 0.795 55.355 54.840 -0.467 0.000 0.770 491 L CB -0.532 41.368 42.059 -0.265 0.000 0.914 491 L HN 0.288 nan 8.230 nan 0.000 0.439 492 L N -0.323 120.753 121.223 -0.245 0.000 2.042 492 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 492 L C 2.219 178.970 176.870 -0.199 0.000 1.076 492 L CA 1.175 55.885 54.840 -0.216 0.000 0.749 492 L CB -0.564 41.360 42.059 -0.226 0.000 0.893 492 L HN 0.288 nan 8.230 nan 0.000 0.432 493 D N -0.433 119.835 120.400 -0.219 0.000 2.117 493 D HA -0.131 4.509 4.640 -0.001 0.000 0.198 493 D C 2.377 178.536 176.300 -0.235 0.000 0.982 493 D CA 0.900 54.786 54.000 -0.189 0.000 0.828 493 D CB -0.129 40.573 40.800 -0.162 0.000 0.967 493 D HN 0.154 nan 8.370 nan 0.000 0.464 494 R N 0.714 120.967 120.500 -0.412 0.000 2.115 494 R HA 0.061 4.401 4.340 -0.001 0.000 0.230 494 R C 2.061 178.250 176.300 -0.184 0.000 1.111 494 R CA 0.874 56.756 56.100 -0.363 0.000 0.976 494 R CB -0.682 29.160 30.300 -0.763 0.000 0.870 494 R HN 0.126 nan 8.270 nan 0.000 0.445 495 A N 0.256 122.959 122.820 -0.195 0.000 2.066 495 A HA 0.147 4.466 4.320 -0.001 0.000 0.218 495 A C 1.303 178.855 177.584 -0.053 0.000 1.157 495 A CA 1.062 53.047 52.037 -0.086 0.000 0.670 495 A CB -0.295 18.656 19.000 -0.082 0.000 0.804 495 A HN 0.427 nan 8.150 nan 0.000 0.453 496 G N -1.714 107.043 108.800 -0.072 0.000 2.256 496 G HA2 0.182 4.141 3.960 -0.001 0.000 0.272 496 G HA3 0.182 4.141 3.960 -0.001 0.000 0.272 496 G C 0.200 175.080 174.900 -0.033 0.000 1.076 496 G CA 0.516 45.589 45.100 -0.046 0.000 0.882 496 G HN 1.514 nan 8.290 nan 0.000 0.497 497 A N 0.000 122.794 122.820 -0.043 0.000 2.254 497 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 497 A CA 0.000 52.038 52.037 0.002 0.000 0.836 497 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486