REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3h8f_1_D 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 0.000 176.306 176.300 0.011 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 E N 3.147 123.350 120.200 0.006 0.000 2.360 2 E HA 0.417 4.767 4.350 -0.000 0.000 0.269 2 E C -1.765 174.836 176.600 0.002 0.000 1.022 2 E CA -0.334 56.069 56.400 0.004 0.000 0.887 2 E CB 1.103 30.803 29.700 0.001 0.000 0.990 2 E HN 0.545 nan 8.360 nan 0.000 0.426 3 L N 6.400 127.624 121.223 0.001 0.000 2.404 3 L HA 0.392 4.732 4.340 -0.000 0.000 0.272 3 L C -1.215 175.648 176.870 -0.013 0.000 0.980 3 L CA -0.678 54.160 54.840 -0.004 0.000 0.836 3 L CB 1.516 43.576 42.059 0.001 0.000 1.238 3 L HN 0.411 nan 8.230 nan 0.000 0.408 4 V N 2.480 122.381 119.914 -0.021 0.000 3.126 4 V HA 0.850 4.970 4.120 -0.000 0.000 0.314 4 V C -0.947 175.119 176.094 -0.046 0.000 1.138 4 V CA -0.873 61.410 62.300 -0.028 0.000 1.034 4 V CB 2.054 33.865 31.823 -0.021 0.000 1.075 4 V HN 0.372 nan 8.190 nan 0.000 0.442 5 V N 1.460 121.344 119.914 -0.050 0.000 2.487 5 V HA 0.645 4.765 4.120 -0.000 0.000 0.298 5 V C -0.207 175.857 176.094 -0.051 0.000 1.028 5 V CA -0.527 61.731 62.300 -0.070 0.000 0.860 5 V CB 1.470 33.242 31.823 -0.086 0.000 0.991 5 V HN 1.013 nan 8.190 nan 0.000 0.427 6 K N 2.033 122.404 120.400 -0.048 0.000 2.443 6 K HA 0.583 4.903 4.320 -0.000 0.000 0.251 6 K C -0.049 176.533 176.600 -0.029 0.000 0.972 6 K CA -0.695 55.573 56.287 -0.032 0.000 0.833 6 K CB 2.329 34.816 32.500 -0.022 0.000 1.317 6 K HN 0.517 nan 8.250 nan 0.000 0.441 7 S N 0.602 116.289 115.700 -0.021 0.000 2.575 7 S HA 0.055 4.525 4.470 -0.000 0.000 0.237 7 S C 0.425 175.022 174.600 -0.005 0.000 0.975 7 S CA -0.569 57.623 58.200 -0.014 0.000 0.960 7 S CB -0.080 63.110 63.200 -0.016 0.000 0.822 7 S HN 0.448 nan 8.310 nan 0.000 0.472 8 V N -0.004 119.908 119.914 -0.004 0.000 3.083 8 V HA 0.806 4.926 4.120 -0.000 0.000 0.306 8 V C 0.547 176.645 176.094 0.006 0.000 1.077 8 V CA -1.414 60.887 62.300 0.000 0.000 1.073 8 V CB 0.144 31.967 31.823 -0.001 0.000 1.081 8 V HN 0.278 nan 8.190 nan 0.000 0.474 9 A N 2.223 125.048 122.820 0.008 0.000 2.531 9 A HA 0.568 4.888 4.320 -0.000 0.000 0.236 9 A C 1.594 179.185 177.584 0.012 0.000 1.062 9 A CA 0.318 52.362 52.037 0.012 0.000 0.760 9 A CB -0.024 18.983 19.000 0.010 0.000 0.995 9 A HN 1.928 nan 8.150 nan 0.000 0.501 10 A N 2.630 125.460 122.820 0.017 0.000 1.877 10 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 10 A C 2.375 179.967 177.584 0.014 0.000 1.186 10 A CA 2.298 54.345 52.037 0.018 0.000 0.620 10 A CB -1.067 17.948 19.000 0.025 0.000 0.822 10 A HN 1.823 nan 8.150 nan 0.000 0.443 11 A N 0.072 122.900 122.820 0.013 0.000 2.076 11 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 11 A C 2.446 180.034 177.584 0.008 0.000 1.160 11 A CA 2.302 54.345 52.037 0.011 0.000 0.653 11 A CB -0.789 18.217 19.000 0.010 0.000 0.801 11 A HN 1.022 nan 8.150 nan 0.000 0.455 12 S N -1.190 114.514 115.700 0.007 0.000 2.446 12 S HA 0.082 4.552 4.470 -0.000 0.000 0.225 12 S C 0.783 175.385 174.600 0.004 0.000 1.016 12 S CA 0.657 58.860 58.200 0.005 0.000 0.943 12 S CB -0.687 62.515 63.200 0.004 0.000 0.786 12 S HN 0.653 nan 8.310 nan 0.000 0.508 13 V N 2.224 122.140 119.914 0.004 0.000 2.509 13 V HA 0.469 4.589 4.120 -0.000 0.000 0.284 13 V C -0.212 175.884 176.094 0.003 0.000 1.047 13 V CA -0.902 61.400 62.300 0.003 0.000 0.952 13 V CB 1.108 32.932 31.823 0.002 0.000 0.988 13 V HN 0.479 nan 8.190 nan 0.000 0.469 14 K N 4.220 124.621 120.400 0.002 0.000 2.276 14 K HA 0.544 4.864 4.320 -0.000 0.000 0.283 14 K C -0.460 176.141 176.600 0.001 0.000 1.044 14 K CA 0.068 56.356 56.287 0.002 0.000 0.944 14 K CB 0.877 33.377 32.500 0.001 0.000 1.012 14 K HN 0.934 nan 8.250 nan 0.000 0.472 15 T N 1.826 116.381 114.554 0.002 0.000 2.893 15 T HA 0.367 4.717 4.350 -0.000 0.000 0.337 15 T C 0.371 175.072 174.700 0.002 0.000 1.587 15 T CA -0.016 62.085 62.100 0.002 0.000 1.066 15 T CB 1.199 70.069 68.868 0.003 0.000 1.414 15 T HN 0.558 nan 8.240 nan 0.000 0.488 16 A N 2.208 125.029 122.820 0.001 0.000 1.902 16 A HA 0.260 4.580 4.320 -0.000 0.000 0.217 16 A C 0.948 178.533 177.584 0.002 0.000 1.181 16 A CA 1.605 53.643 52.037 0.001 0.000 0.623 16 A CB -0.361 18.639 19.000 0.000 0.000 0.818 16 A HN 0.836 nan 8.150 nan 0.000 0.443 17 T N -0.666 113.890 114.554 0.003 0.000 3.109 17 T HA 0.482 4.832 4.350 -0.000 0.000 0.311 17 T C -1.219 173.486 174.700 0.008 0.000 1.011 17 T CA -0.424 61.680 62.100 0.005 0.000 1.026 17 T CB 1.538 70.409 68.868 0.004 0.000 1.047 17 T HN 0.307 nan 8.240 nan 0.000 0.448 18 L N 4.517 125.746 121.223 0.010 0.000 2.295 18 L HA 0.837 5.177 4.340 -0.000 0.000 0.285 18 L C -1.101 175.780 176.870 0.019 0.000 1.035 18 L CA -0.413 54.436 54.840 0.015 0.000 0.806 18 L CB 1.195 43.263 42.059 0.015 0.000 1.214 18 L HN 0.481 nan 8.230 nan 0.000 0.426 19 V N 6.654 126.583 119.914 0.025 0.000 2.448 19 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 19 V C -0.050 176.071 176.094 0.045 0.000 1.025 19 V CA -0.487 61.831 62.300 0.031 0.000 0.859 19 V CB 1.299 33.139 31.823 0.028 0.000 0.988 19 V HN 0.791 nan 8.190 nan 0.000 0.431 20 I N 2.728 123.324 120.570 0.044 0.000 2.865 20 I HA 0.809 4.979 4.170 -0.000 0.000 0.302 20 I C -2.928 173.222 176.117 0.056 0.000 1.140 20 I CA -2.598 58.734 61.300 0.053 0.000 1.021 20 I CB 3.117 41.142 38.000 0.042 0.000 1.233 20 I HN 0.377 nan 8.210 nan 0.000 0.427 21 P HA 0.368 nan 4.420 nan 0.000 0.286 21 P C -1.001 176.326 177.300 0.046 0.000 1.261 21 P CA -0.421 62.719 63.100 0.066 0.000 0.821 21 P CB 2.172 33.924 31.700 0.087 0.000 1.013 22 V N 2.140 122.078 119.914 0.039 0.000 2.588 22 V HA 0.592 4.712 4.120 -0.000 0.000 0.304 22 V C 0.884 176.994 176.094 0.027 0.000 1.042 22 V CA -0.557 61.760 62.300 0.029 0.000 0.877 22 V CB 1.748 33.585 31.823 0.023 0.000 0.996 22 V HN 0.789 nan 8.190 nan 0.000 0.425 23 G N 2.460 111.272 108.800 0.020 0.000 2.562 23 G HA2 0.457 4.417 3.960 -0.000 0.000 0.275 23 G HA3 0.457 4.417 3.960 -0.000 0.000 0.275 23 G C -0.164 174.743 174.900 0.012 0.000 1.196 23 G CA -0.495 44.615 45.100 0.016 0.000 0.908 23 G HN 0.730 nan 8.290 nan 0.000 0.524 24 E N 0.380 120.586 120.200 0.010 0.000 2.459 24 E HA -0.094 4.256 4.350 -0.000 0.000 0.264 24 E C 0.222 176.826 176.600 0.006 0.000 1.055 24 E CA 0.075 56.479 56.400 0.007 0.000 0.957 24 E CB 0.314 30.017 29.700 0.005 0.000 0.952 24 E HN 0.541 nan 8.360 nan 0.000 0.448 25 N N 1.588 120.291 118.700 0.005 0.000 2.725 25 N HA -0.247 4.493 4.740 -0.000 0.000 0.249 25 N C -0.866 174.647 175.510 0.005 0.000 1.103 25 N CA 1.238 54.291 53.050 0.004 0.000 0.707 25 N CB -0.589 37.899 38.487 0.003 0.000 1.043 25 N HN 0.590 nan 8.380 nan 0.000 0.553 26 R N -1.743 118.761 120.500 0.007 0.000 3.531 26 R HA -0.206 4.134 4.340 -0.000 0.000 0.280 26 R C -0.093 176.212 176.300 0.008 0.000 1.130 26 R CA 1.116 57.221 56.100 0.008 0.000 0.757 26 R CB -1.392 28.912 30.300 0.007 0.000 1.218 26 R HN 0.365 nan 8.270 nan 0.000 0.454 27 K N 1.759 122.164 120.400 0.008 0.000 2.267 27 K HA 0.272 4.592 4.320 -0.000 0.000 0.282 27 K C -0.244 176.362 176.600 0.010 0.000 1.078 27 K CA -0.326 55.966 56.287 0.008 0.000 0.903 27 K CB 0.554 33.057 32.500 0.005 0.000 1.111 27 K HN 0.120 nan 8.250 nan 0.000 0.475 28 L N 4.105 125.335 121.223 0.010 0.000 2.264 28 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 28 L C 1.046 177.923 176.870 0.012 0.000 1.044 28 L CA -0.781 54.067 54.840 0.013 0.000 0.807 28 L CB 1.352 43.419 42.059 0.013 0.000 1.192 28 L HN 0.758 nan 8.230 nan 0.000 0.425 29 G N 1.410 110.218 108.800 0.014 0.000 2.588 29 G HA2 0.353 4.313 3.960 -0.000 0.000 0.278 29 G HA3 0.353 4.313 3.960 -0.000 0.000 0.278 29 G C 0.963 175.872 174.900 0.015 0.000 1.307 29 G CA 0.204 45.311 45.100 0.012 0.000 1.016 29 G HN 0.781 nan 8.290 nan 0.000 0.503 30 A N -1.085 121.744 122.820 0.015 0.000 1.865 30 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 30 A C 2.591 180.188 177.584 0.021 0.000 1.191 30 A CA 2.236 54.283 52.037 0.017 0.000 0.623 30 A CB -0.896 18.114 19.000 0.017 0.000 0.826 30 A HN 0.566 nan 8.150 nan 0.000 0.444 31 V N -0.212 119.719 119.914 0.028 0.000 2.287 31 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 31 V C 3.050 179.162 176.094 0.030 0.000 1.053 31 V CA 2.153 64.472 62.300 0.033 0.000 1.027 31 V CB -1.254 30.596 31.823 0.045 0.000 0.646 31 V HN 0.640 nan 8.190 nan 0.000 0.447 32 A N -0.236 122.602 122.820 0.030 0.000 1.930 32 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 32 A C 2.207 179.803 177.584 0.021 0.000 1.175 32 A CA 2.038 54.092 52.037 0.027 0.000 0.627 32 A CB -0.444 18.574 19.000 0.029 0.000 0.815 32 A HN 0.472 nan 8.150 nan 0.000 0.443 33 K N 0.466 120.877 120.400 0.018 0.000 2.026 33 K HA -0.002 4.318 4.320 -0.000 0.000 0.208 33 K C 1.982 178.591 176.600 0.014 0.000 1.048 33 K CA 1.672 57.967 56.287 0.014 0.000 0.929 33 K CB -0.644 31.864 32.500 0.012 0.000 0.713 33 K HN 0.301 nan 8.250 nan 0.000 0.439 34 A N 0.048 122.877 122.820 0.015 0.000 1.948 34 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 34 A C 2.283 179.876 177.584 0.014 0.000 1.177 34 A CA 2.037 54.083 52.037 0.014 0.000 0.636 34 A CB -0.736 18.274 19.000 0.016 0.000 0.815 34 A HN 0.154 nan 8.150 nan 0.000 0.449 35 V N 0.015 119.938 119.914 0.016 0.000 2.488 35 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 35 V C 2.273 178.375 176.094 0.013 0.000 1.046 35 V CA 2.099 64.409 62.300 0.016 0.000 1.053 35 V CB -0.683 31.151 31.823 0.019 0.000 0.679 35 V HN 0.668 nan 8.190 nan 0.000 0.458 36 D N 0.413 120.821 120.400 0.013 0.000 2.092 36 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 36 D C 2.087 178.393 176.300 0.010 0.000 0.994 36 D CA 1.596 55.603 54.000 0.011 0.000 0.828 36 D CB -0.161 40.646 40.800 0.011 0.000 0.963 36 D HN 0.323 nan 8.370 nan 0.000 0.450 37 L N 0.136 121.364 121.223 0.009 0.000 1.989 37 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 37 L C 2.618 179.493 176.870 0.008 0.000 1.071 37 L CA 1.331 56.176 54.840 0.008 0.000 0.749 37 L CB -0.791 41.273 42.059 0.008 0.000 0.890 37 L HN 0.087 nan 8.230 nan 0.000 0.431 38 A N -0.132 122.693 122.820 0.008 0.000 2.076 38 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 38 A C 2.223 179.811 177.584 0.007 0.000 1.160 38 A CA 1.873 53.915 52.037 0.008 0.000 0.653 38 A CB -0.523 18.483 19.000 0.009 0.000 0.801 38 A HN 0.560 nan 8.150 nan 0.000 0.455 39 S N -1.304 114.400 115.700 0.008 0.000 2.572 39 S HA 0.265 4.735 4.470 -0.000 0.000 0.228 39 S C 0.169 174.772 174.600 0.006 0.000 0.963 39 S CA 0.482 58.686 58.200 0.007 0.000 0.939 39 S CB -0.433 62.771 63.200 0.008 0.000 0.804 39 S HN 0.561 nan 8.310 nan 0.000 0.480 40 E N 0.251 120.455 120.200 0.006 0.000 2.513 40 E HA -0.186 4.164 4.350 -0.000 0.000 0.257 40 E C 0.741 177.344 176.600 0.005 0.000 1.098 40 E CA 0.289 56.693 56.400 0.005 0.000 0.752 40 E CB -2.106 27.597 29.700 0.005 0.000 1.324 40 E HN 1.081 nan 8.360 nan 0.000 0.403 41 G N -1.087 107.717 108.800 0.006 0.000 2.168 41 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.257 41 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.257 41 G C 0.983 175.886 174.900 0.006 0.000 0.997 41 G CA 0.746 45.849 45.100 0.006 0.000 0.708 41 G HN 0.866 nan 8.290 nan 0.000 0.520 42 A N -0.558 122.266 122.820 0.006 0.000 1.969 42 A HA 0.255 4.575 4.320 -0.000 0.000 0.218 42 A C 2.348 179.936 177.584 0.007 0.000 1.169 42 A CA 1.755 53.796 52.037 0.006 0.000 0.635 42 A CB -0.197 18.806 19.000 0.006 0.000 0.810 42 A HN 0.708 nan 8.150 nan 0.000 0.445 43 I N 0.263 120.837 120.570 0.008 0.000 2.235 43 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 43 I C 2.887 179.009 176.117 0.009 0.000 1.085 43 I CA 1.433 62.738 61.300 0.009 0.000 1.378 43 I CB -0.322 37.684 38.000 0.011 0.000 1.076 43 I HN 0.457 nan 8.210 nan 0.000 0.415 44 S N 1.523 117.228 115.700 0.008 0.000 2.400 44 S HA -0.167 4.303 4.470 -0.000 0.000 0.232 44 S C 2.196 176.800 174.600 0.006 0.000 1.025 44 S CA 0.932 59.136 58.200 0.008 0.000 0.993 44 S CB -0.679 62.526 63.200 0.007 0.000 0.808 44 S HN 0.413 nan 8.310 nan 0.000 0.478 45 A N 2.287 125.110 122.820 0.006 0.000 1.877 45 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 45 A C 2.579 180.166 177.584 0.005 0.000 1.186 45 A CA 1.977 54.017 52.037 0.005 0.000 0.620 45 A CB -1.322 17.681 19.000 0.005 0.000 0.822 45 A HN 1.064 nan 8.150 nan 0.000 0.443 46 V N -2.162 117.756 119.914 0.006 0.000 2.515 46 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 46 V C 2.250 178.348 176.094 0.006 0.000 1.058 46 V CA 1.764 64.068 62.300 0.006 0.000 1.064 46 V CB -0.952 30.875 31.823 0.006 0.000 0.675 46 V HN 0.423 nan 8.190 nan 0.000 0.461 47 L N 0.159 121.386 121.223 0.007 0.000 2.141 47 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 47 L C 2.793 179.667 176.870 0.006 0.000 1.094 47 L CA 2.060 56.904 54.840 0.007 0.000 0.763 47 L CB -0.587 41.477 42.059 0.008 0.000 0.908 47 L HN 0.361 nan 8.230 nan 0.000 0.437 48 K N 0.451 120.855 120.400 0.005 0.000 2.281 48 K HA -0.207 4.113 4.320 -0.000 0.000 0.203 48 K C 2.053 178.655 176.600 0.004 0.000 1.046 48 K CA 1.241 57.530 56.287 0.004 0.000 0.938 48 K CB 0.068 32.571 32.500 0.004 0.000 0.737 48 K HN 0.194 nan 8.250 nan 0.000 0.458 49 R N -1.270 119.232 120.500 0.004 0.000 2.275 49 R HA 0.019 4.359 4.340 -0.000 0.000 0.199 49 R C 1.068 177.370 176.300 0.004 0.000 0.989 49 R CA 0.739 56.841 56.100 0.004 0.000 1.016 49 R CB 0.330 30.632 30.300 0.004 0.000 0.918 49 R HN 0.478 nan 8.270 nan 0.000 0.473 50 G N 0.365 109.167 108.800 0.004 0.000 2.157 50 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.239 50 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.239 50 G C 0.312 175.215 174.900 0.004 0.000 0.982 50 G CA 0.369 45.472 45.100 0.004 0.000 0.650 50 G HN 0.291 nan 8.290 nan 0.000 0.527 51 D N -0.659 119.744 120.400 0.004 0.000 2.219 51 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 51 D C 1.197 177.500 176.300 0.005 0.000 0.970 51 D CA 0.860 54.863 54.000 0.004 0.000 0.851 51 D CB 0.187 40.990 40.800 0.004 0.000 0.943 51 D HN 0.493 nan 8.370 nan 0.000 0.488 52 L N 0.064 121.291 121.223 0.006 0.000 2.294 52 L HA 0.490 4.830 4.340 -0.000 0.000 0.283 52 L C 0.788 177.663 176.870 0.008 0.000 1.015 52 L CA -0.476 54.368 54.840 0.008 0.000 0.831 52 L CB 1.369 43.434 42.059 0.009 0.000 1.217 52 L HN -0.156 nan 8.230 nan 0.000 0.420 53 A N 3.641 126.465 122.820 0.007 0.000 2.119 53 A HA 0.377 4.697 4.320 -0.000 0.000 0.216 53 A C 1.567 179.156 177.584 0.009 0.000 1.152 53 A CA 0.771 52.812 52.037 0.007 0.000 0.708 53 A CB -0.681 18.322 19.000 0.005 0.000 0.805 53 A HN 1.640 nan 8.150 nan 0.000 0.460 54 G N -1.023 107.784 108.800 0.011 0.000 2.141 54 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 54 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 54 G C 0.168 175.078 174.900 0.016 0.000 0.982 54 G CA 0.400 45.509 45.100 0.015 0.000 0.662 54 G HN 0.571 nan 8.290 nan 0.000 0.527 55 K N 1.028 121.436 120.400 0.014 0.000 2.295 55 K HA 0.396 4.716 4.320 -0.000 0.000 0.270 55 K C -2.221 174.391 176.600 0.020 0.000 1.011 55 K CA -1.597 54.699 56.287 0.014 0.000 0.953 55 K CB 0.626 33.132 32.500 0.010 0.000 0.956 55 K HN 0.016 nan 8.250 nan 0.000 0.477 56 P HA -0.065 nan 4.420 nan 0.000 0.261 56 P C 0.427 177.743 177.300 0.026 0.000 1.183 56 P CA 0.885 64.008 63.100 0.038 0.000 0.761 56 P CB 0.564 32.291 31.700 0.046 0.000 0.785 57 G N 1.848 110.664 108.800 0.025 0.000 2.195 57 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 57 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 57 G C 0.201 175.104 174.900 0.006 0.000 0.984 57 G CA -0.358 44.747 45.100 0.008 0.000 0.633 57 G HN 0.555 nan 8.290 nan 0.000 0.525 58 Q N 1.187 120.993 119.800 0.011 0.000 2.373 58 Q HA 0.513 4.853 4.340 -0.000 0.000 0.255 58 Q C 0.543 176.549 176.000 0.010 0.000 0.980 58 Q CA 0.980 56.788 55.803 0.009 0.000 0.882 58 Q CB 0.824 29.568 28.738 0.010 0.000 1.249 58 Q HN 0.588 nan 8.270 nan 0.000 0.438 59 T N -0.370 114.188 114.554 0.007 0.000 2.903 59 T HA 0.714 5.064 4.350 -0.000 0.000 0.299 59 T C -1.046 173.658 174.700 0.007 0.000 1.093 59 T CA -0.909 61.195 62.100 0.007 0.000 1.002 59 T CB 1.099 69.970 68.868 0.004 0.000 1.127 59 T HN 0.517 nan 8.240 nan 0.000 0.488 60 L N 2.461 123.689 121.223 0.008 0.000 2.436 60 L HA 0.766 5.106 4.340 -0.000 0.000 0.268 60 L C -1.804 175.070 176.870 0.007 0.000 0.974 60 L CA -1.274 53.571 54.840 0.007 0.000 0.826 60 L CB 1.893 43.957 42.059 0.008 0.000 1.291 60 L HN 0.829 nan 8.230 nan 0.000 0.406 61 L N 5.489 126.715 121.223 0.006 0.000 2.313 61 L HA 0.627 4.967 4.340 -0.000 0.000 0.283 61 L C -1.418 175.456 176.870 0.006 0.000 1.013 61 L CA -0.032 54.812 54.840 0.006 0.000 0.816 61 L CB 1.489 43.550 42.059 0.004 0.000 1.236 61 L HN 0.545 nan 8.230 nan 0.000 0.419 62 L N 4.600 125.827 121.223 0.006 0.000 2.334 62 L HA 0.604 4.944 4.340 -0.000 0.000 0.272 62 L C -0.298 176.575 176.870 0.005 0.000 1.020 62 L CA -0.662 54.182 54.840 0.006 0.000 0.812 62 L CB 1.849 43.913 42.059 0.007 0.000 1.264 62 L HN 0.640 nan 8.230 nan 0.000 0.439 63 Q N 0.716 120.519 119.800 0.004 0.000 2.399 63 Q HA 0.295 4.635 4.340 -0.000 0.000 0.276 63 Q C -0.900 175.102 176.000 0.004 0.000 1.098 63 Q CA -1.099 54.707 55.803 0.004 0.000 0.827 63 Q CB 2.149 30.889 28.738 0.003 0.000 1.386 63 Q HN 0.659 nan 8.270 nan 0.000 0.443 64 N N 0.836 119.538 118.700 0.003 0.000 2.407 64 N HA 0.057 4.797 4.740 -0.000 0.000 0.250 64 N C -1.160 174.353 175.510 0.004 0.000 1.236 64 N CA 0.339 53.391 53.050 0.004 0.000 0.879 64 N CB 0.469 38.958 38.487 0.003 0.000 1.088 64 N HN 0.420 nan 8.380 nan 0.000 0.450 65 L N 0.512 121.738 121.223 0.005 0.000 2.307 65 L HA 0.326 4.666 4.340 -0.000 0.000 0.284 65 L C 0.782 177.655 176.870 0.004 0.000 1.023 65 L CA -0.995 53.848 54.840 0.005 0.000 0.810 65 L CB 1.326 43.389 42.059 0.006 0.000 1.231 65 L HN 0.640 nan 8.230 nan 0.000 0.423 66 Q N 1.654 121.457 119.800 0.004 0.000 2.349 66 Q HA 0.147 4.487 4.340 -0.000 0.000 0.287 66 Q C 1.127 177.129 176.000 0.004 0.000 1.044 66 Q CA 1.278 57.083 55.803 0.004 0.000 0.918 66 Q CB 0.557 29.297 28.738 0.003 0.000 1.242 66 Q HN 0.896 nan 8.270 nan 0.000 0.405 67 G N 2.617 111.419 108.800 0.004 0.000 2.179 67 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 67 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 67 G C -0.303 174.600 174.900 0.005 0.000 0.977 67 G CA 0.130 45.233 45.100 0.004 0.000 0.641 67 G HN 0.448 nan 8.290 nan 0.000 0.533 68 L N -0.445 120.781 121.223 0.005 0.000 2.334 68 L HA 0.559 4.899 4.340 -0.000 0.000 0.270 68 L C 1.203 178.076 176.870 0.005 0.000 1.018 68 L CA -0.331 54.512 54.840 0.006 0.000 0.811 68 L CB 1.446 43.508 42.059 0.007 0.000 1.271 68 L HN 0.107 nan 8.230 nan 0.000 0.443 69 K N 0.672 121.075 120.400 0.005 0.000 2.372 69 K HA 0.316 4.636 4.320 -0.000 0.000 0.200 69 K C 0.100 176.703 176.600 0.004 0.000 1.022 69 K CA -0.076 56.214 56.287 0.004 0.000 1.125 69 K CB 0.891 33.394 32.500 0.004 0.000 0.855 69 K HN 0.591 nan 8.250 nan 0.000 0.524 70 A N 1.310 124.133 122.820 0.005 0.000 2.290 70 A HA 0.196 4.516 4.320 -0.000 0.000 0.310 70 A C 0.516 178.103 177.584 0.005 0.000 1.202 70 A CA -0.525 51.516 52.037 0.005 0.000 0.837 70 A CB 0.638 19.642 19.000 0.007 0.000 1.139 70 A HN 0.199 nan 8.150 nan 0.000 0.509 71 E N 1.116 121.319 120.200 0.004 0.000 2.150 71 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 71 E C 0.149 176.751 176.600 0.004 0.000 0.985 71 E CA 0.937 57.338 56.400 0.003 0.000 0.814 71 E CB 0.120 29.821 29.700 0.002 0.000 0.752 71 E HN 0.643 nan 8.360 nan 0.000 0.466 72 R N -0.130 120.373 120.500 0.004 0.000 2.725 72 R HA 0.488 4.828 4.340 -0.000 0.000 0.277 72 R C -1.430 174.874 176.300 0.007 0.000 0.987 72 R CA -0.610 55.493 56.100 0.005 0.000 0.901 72 R CB 2.658 32.960 30.300 0.004 0.000 1.207 72 R HN -0.176 nan 8.270 nan 0.000 0.463 73 V N 3.085 123.004 119.914 0.008 0.000 2.487 73 V HA 0.401 4.521 4.120 -0.000 0.000 0.298 73 V C -1.062 175.039 176.094 0.011 0.000 1.028 73 V CA -0.837 61.470 62.300 0.011 0.000 0.860 73 V CB 1.859 33.689 31.823 0.012 0.000 0.991 73 V HN 0.489 nan 8.190 nan 0.000 0.427 74 L N 6.505 127.736 121.223 0.013 0.000 2.298 74 L HA 0.612 4.952 4.340 -0.000 0.000 0.284 74 L C -0.692 176.188 176.870 0.018 0.000 1.013 74 L CA 0.058 54.906 54.840 0.013 0.000 0.824 74 L CB 1.161 43.226 42.059 0.010 0.000 1.221 74 L HN 0.548 nan 8.230 nan 0.000 0.418 75 L N 6.092 127.325 121.223 0.017 0.000 2.265 75 L HA 0.552 4.892 4.340 -0.000 0.000 0.288 75 L C -0.228 176.655 176.870 0.021 0.000 1.058 75 L CA -0.556 54.297 54.840 0.021 0.000 0.809 75 L CB 1.432 43.502 42.059 0.018 0.000 1.179 75 L HN 0.434 nan 8.230 nan 0.000 0.429 76 V N 2.976 122.907 119.914 0.028 0.000 2.555 76 V HA 0.733 4.853 4.120 -0.000 0.000 0.302 76 V C 0.444 176.561 176.094 0.038 0.000 1.038 76 V CA -0.319 61.998 62.300 0.029 0.000 0.887 76 V CB 1.904 33.744 31.823 0.027 0.000 0.991 76 V HN 0.780 nan 8.190 nan 0.000 0.434 77 G N 3.500 112.320 108.800 0.033 0.000 2.406 77 G HA2 0.408 4.368 3.960 -0.000 0.000 0.251 77 G HA3 0.408 4.368 3.960 -0.000 0.000 0.251 77 G C 0.610 175.541 174.900 0.053 0.000 1.271 77 G CA 0.284 45.406 45.100 0.036 0.000 0.859 77 G HN 1.350 nan 8.290 nan 0.000 0.540 78 S N 0.810 116.542 115.700 0.053 0.000 2.629 78 S HA 0.527 4.997 4.470 -0.000 0.000 0.236 78 S C 1.201 175.826 174.600 0.042 0.000 1.010 78 S CA 0.451 58.691 58.200 0.067 0.000 0.981 78 S CB -0.091 63.149 63.200 0.066 0.000 0.919 78 S HN 2.216 nan 8.310 nan 0.000 0.514 79 G N 2.150 110.968 108.800 0.030 0.000 2.693 79 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.226 79 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.226 79 G C -0.553 174.352 174.900 0.009 0.000 1.354 79 G CA -0.540 44.570 45.100 0.018 0.000 0.873 79 G HN 0.534 nan 8.290 nan 0.000 0.562 80 K N -0.252 120.150 120.400 0.002 0.000 2.188 80 K HA 0.189 4.509 4.320 -0.000 0.000 0.246 80 K C 0.437 177.033 176.600 -0.008 0.000 1.026 80 K CA 0.416 56.701 56.287 -0.003 0.000 0.871 80 K CB 0.170 32.667 32.500 -0.005 0.000 1.042 80 K HN 0.542 nan 8.250 nan 0.000 0.509 81 D N 1.470 121.864 120.400 -0.010 0.000 2.848 81 D HA -0.016 4.624 4.640 -0.000 0.000 0.232 81 D C -0.867 175.418 176.300 -0.024 0.000 1.107 81 D CA 0.535 54.526 54.000 -0.016 0.000 1.020 81 D CB -0.089 40.704 40.800 -0.013 0.000 1.148 81 D HN 0.229 nan 8.370 nan 0.000 0.453 82 E N -0.229 119.954 120.200 -0.029 0.000 2.393 82 E HA 0.582 4.932 4.350 -0.000 0.000 0.273 82 E C -0.773 175.794 176.600 -0.054 0.000 0.918 82 E CA -1.375 55.003 56.400 -0.037 0.000 0.773 82 E CB 1.625 31.308 29.700 -0.027 0.000 1.275 82 E HN 0.170 nan 8.360 nan 0.000 0.451 83 A N 2.273 125.052 122.820 -0.067 0.000 2.511 83 A HA 0.216 4.536 4.320 -0.000 0.000 0.242 83 A C -0.085 177.450 177.584 -0.081 0.000 1.069 83 A CA 0.058 52.036 52.037 -0.098 0.000 0.763 83 A CB -0.044 18.898 19.000 -0.098 0.000 1.001 83 A HN 0.484 nan 8.150 nan 0.000 0.498 84 L N 2.277 123.437 121.223 -0.104 0.000 2.418 84 L HA 0.441 4.781 4.340 -0.000 0.000 0.265 84 L C 1.308 178.152 176.870 -0.043 0.000 1.143 84 L CA -0.408 54.405 54.840 -0.044 0.000 0.809 84 L CB 0.907 42.973 42.059 0.012 0.000 1.124 84 L HN 0.863 nan 8.230 nan 0.000 0.456 85 G N 0.186 108.987 108.800 0.002 0.000 2.572 85 G HA2 0.068 4.028 3.960 -0.000 0.000 0.261 85 G HA3 0.068 4.028 3.960 -0.000 0.000 0.261 85 G C 0.305 175.242 174.900 0.061 0.000 1.197 85 G CA -0.361 44.745 45.100 0.010 0.000 0.870 85 G HN 0.714 nan 8.290 nan 0.000 0.548 86 D N -0.070 120.365 120.400 0.058 0.000 2.127 86 D HA -0.159 4.481 4.640 -0.000 0.000 0.190 86 D C 2.441 178.819 176.300 0.130 0.000 1.000 86 D CA 1.218 55.285 54.000 0.112 0.000 0.839 86 D CB 0.016 40.856 40.800 0.067 0.000 0.955 86 D HN 0.386 nan 8.370 nan 0.000 0.446 87 R N 0.034 120.573 120.500 0.065 0.000 2.081 87 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 87 R C 2.186 178.515 176.300 0.050 0.000 1.131 87 R CA 1.763 57.885 56.100 0.037 0.000 0.960 87 R CB -0.826 29.474 30.300 0.000 0.000 0.856 87 R HN 0.143 nan 8.270 nan 0.000 0.436 88 T N -0.109 114.487 114.554 0.070 0.000 2.788 88 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 88 T C 1.358 176.145 174.700 0.144 0.000 1.044 88 T CA 1.282 63.429 62.100 0.080 0.000 1.139 88 T CB -0.439 68.470 68.868 0.069 0.000 0.867 88 T HN 0.478 nan 8.240 nan 0.000 0.454 89 W N 2.536 123.813 121.300 -0.038 0.000 2.353 89 W HA -0.187 4.472 4.660 -0.000 0.000 0.319 89 W C 2.292 178.791 176.519 -0.034 0.000 1.207 89 W CA 0.858 58.177 57.345 -0.044 0.000 1.291 89 W CB -0.195 29.227 29.460 -0.063 0.000 1.159 89 W HN 0.135 nan 8.180 nan 0.000 0.478 90 R N 0.437 120.876 120.500 -0.102 0.000 2.117 90 R HA -0.202 4.138 4.340 -0.000 0.000 0.243 90 R C 2.202 178.396 176.300 -0.177 0.000 1.143 90 R CA 1.980 57.944 56.100 -0.227 0.000 0.968 90 R CB -0.561 29.681 30.300 -0.095 0.000 0.863 90 R HN 0.237 nan 8.270 nan 0.000 0.444 91 K N 0.436 120.785 120.400 -0.085 0.000 2.097 91 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 91 K C 2.033 178.588 176.600 -0.075 0.000 1.050 91 K CA 0.696 56.946 56.287 -0.062 0.000 0.938 91 K CB -0.188 32.298 32.500 -0.022 0.000 0.718 91 K HN 0.056 nan 8.250 nan 0.000 0.442 92 L N 1.224 122.399 121.223 -0.080 0.000 2.017 92 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 92 L C 1.930 178.702 176.870 -0.164 0.000 1.073 92 L CA 1.730 56.522 54.840 -0.079 0.000 0.745 92 L CB -0.941 41.117 42.059 -0.001 0.000 0.894 92 L HN -0.069 nan 8.230 nan 0.000 0.432 93 V N 0.853 120.575 119.914 -0.320 0.000 2.343 93 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 93 V C 2.991 178.978 176.094 -0.178 0.000 1.051 93 V CA 1.698 63.802 62.300 -0.326 0.000 1.036 93 V CB -1.390 30.126 31.823 -0.511 0.000 0.654 93 V HN 0.630 nan 8.190 nan 0.000 0.451 94 A N -0.372 122.361 122.820 -0.145 0.000 1.969 94 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 94 A C 2.562 180.112 177.584 -0.058 0.000 1.169 94 A CA 1.976 53.962 52.037 -0.085 0.000 0.635 94 A CB -0.637 18.323 19.000 -0.068 0.000 0.810 94 A HN 0.562 nan 8.150 nan 0.000 0.445 95 S N -0.491 115.173 115.700 -0.059 0.000 2.368 95 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 95 S C 1.894 176.473 174.600 -0.034 0.000 1.029 95 S CA 1.568 59.746 58.200 -0.037 0.000 0.988 95 S CB -0.600 62.583 63.200 -0.030 0.000 0.838 95 S HN 0.247 nan 8.310 nan 0.000 0.462 96 V N 2.521 122.407 119.914 -0.047 0.000 2.233 96 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 96 V C 3.122 179.197 176.094 -0.031 0.000 1.050 96 V CA 1.994 64.272 62.300 -0.037 0.000 1.010 96 V CB -1.539 30.254 31.823 -0.049 0.000 0.637 96 V HN 0.681 nan 8.190 nan 0.000 0.444 97 A N 0.152 122.946 122.820 -0.042 0.000 1.948 97 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 97 A C 2.363 179.937 177.584 -0.017 0.000 1.177 97 A CA 2.140 54.160 52.037 -0.029 0.000 0.636 97 A CB -1.218 17.761 19.000 -0.035 0.000 0.815 97 A HN 0.594 nan 8.150 nan 0.000 0.449 98 G N -0.855 107.934 108.800 -0.018 0.000 2.408 98 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.217 98 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.217 98 G C 1.463 176.359 174.900 -0.006 0.000 1.150 98 G CA 1.194 46.288 45.100 -0.009 0.000 0.776 98 G HN 0.346 nan 8.290 nan 0.000 0.542 99 V N 0.939 120.848 119.914 -0.008 0.000 2.379 99 V HA -0.046 4.074 4.120 -0.000 0.000 0.245 99 V C 2.867 178.959 176.094 -0.004 0.000 1.044 99 V CA 1.122 63.420 62.300 -0.005 0.000 1.036 99 V CB -0.387 31.433 31.823 -0.004 0.000 0.664 99 V HN 0.324 nan 8.190 nan 0.000 0.453 100 L N -0.351 120.869 121.223 -0.005 0.000 2.083 100 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 100 L C 2.567 179.435 176.870 -0.003 0.000 1.083 100 L CA 1.569 56.407 54.840 -0.004 0.000 0.752 100 L CB -0.689 41.367 42.059 -0.005 0.000 0.899 100 L HN 0.281 nan 8.230 nan 0.000 0.433 101 K N 0.068 120.466 120.400 -0.003 0.000 2.209 101 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 101 K C 1.769 178.368 176.600 -0.001 0.000 1.048 101 K CA 1.255 57.542 56.287 -0.001 0.000 0.940 101 K CB -0.288 32.213 32.500 0.001 0.000 0.729 101 K HN 0.406 nan 8.250 nan 0.000 0.451 102 G N 0.672 109.471 108.800 -0.001 0.000 3.284 102 G HA2 0.162 4.122 3.960 -0.000 0.000 0.236 102 G HA3 0.162 4.122 3.960 -0.000 0.000 0.236 102 G C 0.282 175.181 174.900 -0.002 0.000 1.158 102 G CA -0.250 44.850 45.100 -0.001 0.000 0.774 102 G HN -0.024 nan 8.290 nan 0.000 0.545 103 L N -0.172 121.049 121.223 -0.002 0.000 2.334 103 L HA 0.365 4.705 4.340 -0.000 0.000 0.272 103 L C 0.251 177.120 176.870 -0.003 0.000 1.020 103 L CA -1.014 53.825 54.840 -0.002 0.000 0.812 103 L CB 1.652 43.710 42.059 -0.001 0.000 1.264 103 L HN -0.113 nan 8.230 nan 0.000 0.439 104 N N 1.039 119.738 118.700 -0.003 0.000 2.843 104 N HA 0.135 4.875 4.740 -0.000 0.000 0.284 104 N C -0.223 175.286 175.510 -0.003 0.000 1.274 104 N CA -0.114 52.934 53.050 -0.003 0.000 1.045 104 N CB 0.146 38.631 38.487 -0.003 0.000 1.370 104 N HN 0.717 nan 8.380 nan 0.000 0.525 105 G N -1.243 107.556 108.800 -0.003 0.000 2.372 105 G HA2 0.548 4.508 3.960 -0.000 0.000 0.323 105 G HA3 0.548 4.508 3.960 -0.000 0.000 0.323 105 G C 0.613 175.511 174.900 -0.003 0.000 1.152 105 G CA -0.471 44.627 45.100 -0.002 0.000 0.906 105 G HN 0.275 nan 8.290 nan 0.000 0.460 106 A N 1.951 124.770 122.820 -0.003 0.000 2.123 106 A HA 0.300 4.620 4.320 -0.000 0.000 0.214 106 A C 0.896 178.478 177.584 -0.003 0.000 1.152 106 A CA 1.336 53.371 52.037 -0.003 0.000 0.728 106 A CB -0.093 18.905 19.000 -0.004 0.000 0.814 106 A HN 0.716 nan 8.150 nan 0.000 0.464 107 D N -2.901 117.498 120.400 -0.002 0.000 2.583 107 D HA 0.665 5.305 4.640 -0.000 0.000 0.248 107 D C -0.781 175.519 176.300 -0.001 0.000 1.209 107 D CA 0.063 54.062 54.000 -0.002 0.000 0.848 107 D CB 1.141 41.940 40.800 -0.002 0.000 1.431 107 D HN 0.364 nan 8.370 nan 0.000 0.436 108 A N -0.100 122.720 122.820 -0.000 0.000 2.572 108 A HA 0.670 4.990 4.320 -0.000 0.000 0.295 108 A C -1.636 175.950 177.584 0.003 0.000 1.072 108 A CA -0.734 51.304 52.037 0.002 0.000 0.691 108 A CB 1.932 20.933 19.000 0.002 0.000 1.291 108 A HN 0.464 nan 8.150 nan 0.000 0.404 109 V N 2.110 122.028 119.914 0.007 0.000 2.487 109 V HA 0.425 4.545 4.120 -0.000 0.000 0.298 109 V C -0.647 175.460 176.094 0.021 0.000 1.028 109 V CA -0.320 61.986 62.300 0.010 0.000 0.860 109 V CB 1.448 33.276 31.823 0.009 0.000 0.991 109 V HN 0.708 nan 8.190 nan 0.000 0.427 110 L N 4.605 125.845 121.223 0.028 0.000 2.276 110 L HA 0.705 5.045 4.340 -0.000 0.000 0.286 110 L C 0.355 177.270 176.870 0.075 0.000 1.024 110 L CA -0.443 54.431 54.840 0.056 0.000 0.826 110 L CB 1.525 43.626 42.059 0.070 0.000 1.211 110 L HN 0.724 nan 8.230 nan 0.000 0.422 111 A N 5.672 128.542 122.820 0.083 0.000 2.923 111 A HA 0.588 4.908 4.320 -0.000 0.000 0.343 111 A C 0.268 177.926 177.584 0.124 0.000 1.199 111 A CA -0.271 51.819 52.037 0.088 0.000 0.878 111 A CB 0.041 19.077 19.000 0.059 0.000 1.104 111 A HN 0.827 nan 8.150 nan 0.000 0.483 112 L N 0.514 121.854 121.223 0.194 0.000 3.122 112 L HA 0.163 4.503 4.340 -0.000 0.000 0.274 112 L C 1.320 178.327 176.870 0.229 0.000 1.222 112 L CA 0.029 55.010 54.840 0.234 0.000 1.028 112 L CB 0.434 42.701 42.059 0.346 0.000 1.386 112 L HN 0.685 nan 8.230 nan 0.000 0.578 113 D N 0.955 121.480 120.400 0.208 0.000 2.190 113 D HA -0.248 4.392 4.640 -0.000 0.000 0.200 113 D C 1.446 177.785 176.300 0.065 0.000 0.992 113 D CA 1.548 55.655 54.000 0.178 0.000 0.854 113 D CB 0.383 41.273 40.800 0.149 0.000 0.936 113 D HN 0.228 nan 8.370 nan 0.000 0.462 114 D N -0.443 119.985 120.400 0.047 0.000 2.348 114 D HA -0.040 4.600 4.640 -0.000 0.000 0.216 114 D C 0.141 176.413 176.300 -0.047 0.000 0.970 114 D CA 0.189 54.190 54.000 0.002 0.000 0.889 114 D CB 0.108 40.917 40.800 0.015 0.000 0.912 114 D HN 0.118 nan 8.370 nan 0.000 0.524 115 V N 1.242 121.116 119.914 -0.067 0.000 2.555 115 V HA 0.363 4.483 4.120 -0.000 0.000 0.286 115 V C 0.552 176.449 176.094 -0.327 0.000 1.044 115 V CA -0.695 61.507 62.300 -0.163 0.000 1.026 115 V CB 1.059 32.803 31.823 -0.131 0.000 0.981 115 V HN 0.063 nan 8.190 nan 0.000 0.480 116 A N 5.301 127.946 122.820 -0.290 0.000 2.305 116 A HA 0.795 5.115 4.320 -0.000 0.000 0.322 116 A C -0.568 176.771 177.584 -0.408 0.000 1.187 116 A CA -0.511 51.327 52.037 -0.332 0.000 0.825 116 A CB 1.246 20.122 19.000 -0.207 0.000 1.164 116 A HN 0.647 nan 8.150 nan 0.000 0.498 117 V N 2.455 122.075 119.914 -0.491 0.000 2.483 117 V HA 0.250 4.370 4.120 -0.000 0.000 0.295 117 V C 0.273 176.208 176.094 -0.264 0.000 1.035 117 V CA -0.986 61.032 62.300 -0.471 0.000 0.896 117 V CB 1.630 33.016 31.823 -0.728 0.000 0.986 117 V HN 0.944 nan 8.190 nan 0.000 0.447 118 N N 3.774 122.370 118.700 -0.172 0.000 2.468 118 N HA 0.056 4.796 4.740 -0.000 0.000 0.265 118 N C 0.863 176.323 175.510 -0.083 0.000 1.199 118 N CA 0.833 53.820 53.050 -0.106 0.000 0.928 118 N CB -0.184 38.262 38.487 -0.068 0.000 1.059 118 N HN 0.767 nan 8.380 nan 0.000 0.467 119 N N 0.961 119.620 118.700 -0.069 0.000 2.900 119 N HA -0.225 4.515 4.740 -0.000 0.000 0.240 119 N C -1.266 174.217 175.510 -0.043 0.000 0.953 119 N CA 0.965 53.989 53.050 -0.044 0.000 0.950 119 N CB -0.470 38.003 38.487 -0.024 0.000 1.102 119 N HN 0.544 nan 8.380 nan 0.000 0.593 120 R N 1.505 121.959 120.500 -0.077 0.000 2.265 120 R HA 0.217 4.557 4.340 -0.000 0.000 0.319 120 R C -0.203 176.038 176.300 -0.100 0.000 1.006 120 R CA -0.457 55.593 56.100 -0.083 0.000 0.880 120 R CB 0.636 30.846 30.300 -0.149 0.000 1.077 120 R HN 0.363 nan 8.270 nan 0.000 0.454 121 D N 1.217 121.590 120.400 -0.045 0.000 2.382 121 D HA 0.017 4.657 4.640 -0.000 0.000 0.240 121 D C 0.773 176.988 176.300 -0.143 0.000 1.146 121 D CA -0.299 53.666 54.000 -0.058 0.000 0.897 121 D CB 0.682 41.501 40.800 0.033 0.000 1.197 121 D HN 0.419 nan 8.370 nan 0.000 0.432 122 A N 1.356 124.013 122.820 -0.271 0.000 2.168 122 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 122 A C 1.371 178.723 177.584 -0.387 0.000 1.152 122 A CA 0.934 52.716 52.037 -0.424 0.000 0.716 122 A CB -0.543 18.157 19.000 -0.501 0.000 0.794 122 A HN 0.702 nan 8.150 nan 0.000 0.465 123 H N -3.730 115.422 119.070 0.136 0.000 2.338 123 H HA 0.091 4.647 4.556 -0.000 0.000 0.291 123 H C 1.844 177.366 175.328 0.323 0.000 0.989 123 H CA 1.122 57.335 56.048 0.275 0.000 1.281 123 H CB -0.715 29.163 29.762 0.193 0.000 1.484 123 H HN 0.473 nan 8.280 nan 0.000 0.576 124 Y N 1.985 122.432 120.300 0.245 0.000 2.117 124 Y HA -0.034 4.516 4.550 -0.000 0.000 0.277 124 Y C 2.735 178.718 175.900 0.137 0.000 1.104 124 Y CA 1.865 60.069 58.100 0.174 0.000 1.089 124 Y CB -0.772 37.764 38.460 0.126 0.000 0.999 124 Y HN 0.191 nan 8.280 nan 0.000 0.480 125 G N 0.143 109.013 108.800 0.117 0.000 2.514 125 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.217 125 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.217 125 G C 1.737 176.600 174.900 -0.062 0.000 1.198 125 G CA 1.295 46.397 45.100 0.004 0.000 0.780 125 G HN 0.427 nan 8.290 nan 0.000 0.565 126 K N -0.706 119.604 120.400 -0.150 0.000 2.032 126 K HA -0.226 4.093 4.320 -0.000 0.000 0.218 126 K C 2.280 178.840 176.600 -0.066 0.000 1.054 126 K CA 1.983 58.084 56.287 -0.311 0.000 0.941 126 K CB -0.374 31.730 32.500 -0.660 0.000 0.720 126 K HN 0.421 nan 8.250 nan 0.000 0.449 127 Y N 0.155 120.529 120.300 0.124 0.000 2.420 127 Y HA 0.076 4.626 4.550 -0.000 0.000 0.292 127 Y C 2.335 178.245 175.900 0.017 0.000 1.119 127 Y CA 0.333 58.507 58.100 0.123 0.000 1.229 127 Y CB 0.003 38.515 38.460 0.085 0.000 1.026 127 Y HN 0.015 nan 8.280 nan 0.000 0.554 128 R N -0.105 120.390 120.500 -0.009 0.000 2.103 128 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 128 R C 1.885 178.191 176.300 0.011 0.000 1.142 128 R CA 1.249 57.290 56.100 -0.099 0.000 0.960 128 R CB -0.820 29.324 30.300 -0.259 0.000 0.858 128 R HN 0.314 nan 8.270 nan 0.000 0.439 129 L N 0.356 121.624 121.223 0.075 0.000 2.095 129 L HA -0.048 4.292 4.340 -0.000 0.000 0.204 129 L C 2.445 179.312 176.870 -0.006 0.000 1.080 129 L CA 1.078 55.965 54.840 0.079 0.000 0.759 129 L CB -0.887 41.290 42.059 0.198 0.000 0.914 129 L HN 0.131 nan 8.230 nan 0.000 0.439 130 L N -0.742 120.500 121.223 0.032 0.000 2.017 130 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 130 L C 2.473 179.326 176.870 -0.028 0.000 1.073 130 L CA 1.666 56.434 54.840 -0.120 0.000 0.745 130 L CB -0.324 41.770 42.059 0.058 0.000 0.894 130 L HN 0.241 nan 8.230 nan 0.000 0.432 131 A N -0.747 122.110 122.820 0.063 0.000 1.972 131 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 131 A C 2.229 179.821 177.584 0.014 0.000 1.169 131 A CA 1.838 53.901 52.037 0.042 0.000 0.635 131 A CB -0.583 18.451 19.000 0.057 0.000 0.810 131 A HN 0.656 nan 8.150 nan 0.000 0.446 132 E N -0.894 119.310 120.200 0.006 0.000 2.076 132 E HA -0.115 4.234 4.350 -0.000 0.000 0.190 132 E C 1.883 178.474 176.600 -0.014 0.000 0.979 132 E CA 1.387 57.789 56.400 0.003 0.000 0.807 132 E CB -0.079 29.624 29.700 0.006 0.000 0.761 132 E HN 0.501 nan 8.360 nan 0.000 0.454 133 T N 1.540 116.067 114.554 -0.045 0.000 2.788 133 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 133 T C 1.693 176.363 174.700 -0.051 0.000 1.044 133 T CA 1.036 63.097 62.100 -0.065 0.000 1.139 133 T CB -0.155 68.635 68.868 -0.131 0.000 0.867 133 T HN 0.106 nan 8.240 nan 0.000 0.454 134 L N 0.702 121.895 121.223 -0.050 0.000 2.023 134 L HA 0.185 4.525 4.340 -0.000 0.000 0.205 134 L C 2.083 178.954 176.870 0.002 0.000 1.073 134 L CA 1.548 56.369 54.840 -0.031 0.000 0.745 134 L CB -0.685 41.354 42.059 -0.033 0.000 0.900 134 L HN 0.212 nan 8.230 nan 0.000 0.435 135 L N -0.543 120.688 121.223 0.013 0.000 2.056 135 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 135 L C 2.263 179.168 176.870 0.058 0.000 1.078 135 L CA 1.571 56.432 54.840 0.036 0.000 0.749 135 L CB -0.736 41.346 42.059 0.038 0.000 0.901 135 L HN 0.313 nan 8.230 nan 0.000 0.433 136 D N 0.175 120.603 120.400 0.045 0.000 2.218 136 D HA -0.138 4.502 4.640 -0.000 0.000 0.204 136 D C 2.057 178.407 176.300 0.083 0.000 0.976 136 D CA 1.185 55.219 54.000 0.058 0.000 0.853 136 D CB 0.008 40.816 40.800 0.013 0.000 0.939 136 D HN 0.224 nan 8.370 nan 0.000 0.481 137 G N -0.628 108.203 108.800 0.052 0.000 2.848 137 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.208 137 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.208 137 G C 1.309 176.254 174.900 0.075 0.000 1.152 137 G CA -0.019 45.115 45.100 0.056 0.000 0.789 137 G HN 0.118 nan 8.290 nan 0.000 0.531 138 E N -0.358 119.894 120.200 0.086 0.000 2.442 138 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 138 E C 0.052 176.715 176.600 0.104 0.000 1.030 138 E CA -0.666 55.778 56.400 0.074 0.000 0.869 138 E CB -0.133 29.597 29.700 0.051 0.000 0.857 138 E HN 0.550 nan 8.360 nan 0.000 0.505 139 Y N 1.091 121.416 120.300 0.042 0.000 2.805 139 Y HA -0.008 4.542 4.550 -0.000 0.000 0.331 139 Y C -0.282 175.667 175.900 0.081 0.000 1.241 139 Y CA 0.337 58.477 58.100 0.067 0.000 1.546 139 Y CB 0.370 38.873 38.460 0.070 0.000 1.248 139 Y HN -0.328 nan 8.280 nan 0.000 0.559 140 V N 8.536 128.129 119.914 -0.536 0.000 2.638 140 V HA 0.273 4.393 4.120 -0.000 0.000 0.306 140 V C -1.147 174.636 176.094 -0.517 0.000 1.052 140 V CA -0.973 61.108 62.300 -0.365 0.000 0.885 140 V CB 1.723 33.439 31.823 -0.179 0.000 0.999 140 V HN 0.664 nan 8.190 nan 0.000 0.424 141 F N 4.917 124.648 119.950 -0.366 0.000 2.449 141 F HA 0.419 4.946 4.527 -0.000 0.000 0.344 141 F C 0.562 176.333 175.800 -0.048 0.000 1.180 141 F CA -0.686 57.206 58.000 -0.180 0.000 1.209 141 F CB 0.685 39.709 39.000 0.040 0.000 1.440 141 F HN 0.673 nan 8.300 nan 0.000 0.526 142 D N 1.231 121.439 120.400 -0.320 0.000 2.402 142 D HA 0.024 4.664 4.640 -0.000 0.000 0.216 142 D C 1.857 177.976 176.300 -0.302 0.000 1.128 142 D CA -0.179 53.691 54.000 -0.215 0.000 0.833 142 D CB -0.258 40.459 40.800 -0.138 0.000 0.971 142 D HN 0.522 nan 8.370 nan 0.000 0.503 143 R N 0.231 120.392 120.500 -0.564 0.000 2.152 143 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 143 R C 0.362 176.252 176.300 -0.682 0.000 1.117 143 R CA 0.946 56.647 56.100 -0.665 0.000 0.981 143 R CB -0.372 29.377 30.300 -0.919 0.000 0.870 143 R HN 0.152 nan 8.270 nan 0.000 0.451 144 F N 0.980 120.764 119.950 -0.277 0.000 2.664 144 F HA 0.308 4.835 4.527 -0.000 0.000 0.303 144 F C 0.231 175.970 175.800 -0.101 0.000 1.092 144 F CA -0.401 57.510 58.000 -0.149 0.000 1.305 144 F CB 0.474 39.415 39.000 -0.098 0.000 1.054 144 F HN -0.312 nan 8.300 nan 0.000 0.565 145 K N 0.845 121.245 120.400 -0.001 0.000 2.322 145 K HA 0.142 4.462 4.320 -0.000 0.000 0.283 145 K C 1.194 177.777 176.600 -0.029 0.000 1.042 145 K CA 0.228 56.513 56.287 -0.004 0.000 0.958 145 K CB 1.353 33.840 32.500 -0.021 0.000 0.984 145 K HN 0.141 nan 8.250 nan 0.000 0.473 146 S N 1.820 117.513 115.700 -0.011 0.000 2.528 146 S HA -0.045 4.425 4.470 -0.000 0.000 0.219 146 S C 0.478 175.062 174.600 -0.026 0.000 0.985 146 S CA 0.003 58.190 58.200 -0.021 0.000 0.914 146 S CB 0.102 63.297 63.200 -0.008 0.000 0.776 146 S HN 0.557 nan 8.310 nan 0.000 0.526 147 Q N 2.091 121.878 119.800 -0.022 0.000 2.369 147 Q HA 0.313 4.653 4.340 -0.000 0.000 0.247 147 Q C -0.700 175.278 176.000 -0.036 0.000 1.083 147 Q CA -0.391 55.398 55.803 -0.024 0.000 0.905 147 Q CB 0.734 29.463 28.738 -0.016 0.000 1.305 147 Q HN 0.133 nan 8.270 nan 0.000 0.465 148 K N 2.216 122.591 120.400 -0.042 0.000 2.436 148 K HA 0.058 4.378 4.320 -0.000 0.000 0.282 148 K C -0.757 175.817 176.600 -0.043 0.000 1.044 148 K CA 0.028 56.284 56.287 -0.053 0.000 1.028 148 K CB 0.349 32.816 32.500 -0.056 0.000 0.919 148 K HN 0.271 nan 8.250 nan 0.000 0.474 149 V N 4.036 123.921 119.914 -0.049 0.000 3.051 149 V HA 0.031 4.151 4.120 -0.000 0.000 0.306 149 V C 0.346 176.420 176.094 -0.034 0.000 1.083 149 V CA -0.386 61.892 62.300 -0.038 0.000 1.104 149 V CB 0.747 32.546 31.823 -0.040 0.000 1.027 149 V HN 0.773 nan 8.190 nan 0.000 0.483 150 E N 3.530 123.714 120.200 -0.025 0.000 2.328 150 E HA 0.187 4.537 4.350 -0.000 0.000 0.265 150 E C -2.242 174.343 176.600 -0.024 0.000 1.057 150 E CA -1.166 55.221 56.400 -0.022 0.000 0.916 150 E CB 0.077 29.768 29.700 -0.016 0.000 0.993 150 E HN 0.521 nan 8.360 nan 0.000 0.446 151 P HA 0.055 nan 4.420 nan 0.000 0.271 151 P C -0.271 177.018 177.300 -0.019 0.000 1.220 151 P CA -0.042 63.042 63.100 -0.026 0.000 0.768 151 P CB 0.682 32.367 31.700 -0.026 0.000 0.848 152 R N 1.315 121.804 120.500 -0.018 0.000 2.738 152 R HA 0.383 4.723 4.340 -0.000 0.000 0.275 152 R C 1.331 177.624 176.300 -0.011 0.000 1.121 152 R CA 0.024 56.116 56.100 -0.013 0.000 1.207 152 R CB 0.317 30.610 30.300 -0.011 0.000 1.141 152 R HN 0.540 nan 8.270 nan 0.000 0.571 153 A N 1.398 124.214 122.820 -0.008 0.000 1.924 153 A HA 0.046 4.366 4.320 -0.000 0.000 0.211 153 A C 0.466 178.047 177.584 -0.006 0.000 1.198 153 A CA 0.049 52.082 52.037 -0.007 0.000 0.657 153 A CB -0.049 18.948 19.000 -0.006 0.000 0.852 153 A HN 0.420 nan 8.150 nan 0.000 0.454 154 L N 0.513 121.733 121.223 -0.005 0.000 2.462 154 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 154 L C 0.688 177.556 176.870 -0.003 0.000 1.166 154 L CA 0.881 55.719 54.840 -0.003 0.000 0.880 154 L CB 0.556 42.613 42.059 -0.002 0.000 1.142 154 L HN 0.299 nan 8.230 nan 0.000 0.473 155 K N 2.918 123.316 120.400 -0.003 0.000 2.585 155 K HA 0.213 4.533 4.320 -0.000 0.000 0.210 155 K C -0.246 176.353 176.600 -0.001 0.000 1.504 155 K CA -0.175 56.111 56.287 -0.002 0.000 1.029 155 K CB 0.788 33.286 32.500 -0.004 0.000 1.332 155 K HN 0.435 nan 8.250 nan 0.000 0.569 156 K N 1.697 122.096 120.400 -0.002 0.000 2.471 156 K HA 0.399 4.719 4.320 -0.000 0.000 0.252 156 K C -1.653 174.945 176.600 -0.002 0.000 0.938 156 K CA -0.506 55.780 56.287 -0.002 0.000 0.796 156 K CB 2.237 34.734 32.500 -0.003 0.000 1.161 156 K HN -0.218 nan 8.250 nan 0.000 0.425 157 V N 3.078 122.990 119.914 -0.003 0.000 2.487 157 V HA 0.344 4.464 4.120 -0.000 0.000 0.298 157 V C -0.615 175.473 176.094 -0.009 0.000 1.028 157 V CA -0.658 61.640 62.300 -0.004 0.000 0.860 157 V CB 2.085 33.907 31.823 -0.002 0.000 0.991 157 V HN 0.839 nan 8.190 nan 0.000 0.427 158 T N 6.570 121.119 114.554 -0.010 0.000 2.767 158 T HA 0.615 4.965 4.350 -0.000 0.000 0.284 158 T C -0.278 174.407 174.700 -0.024 0.000 0.973 158 T CA -0.302 61.787 62.100 -0.018 0.000 0.996 158 T CB 0.819 69.678 68.868 -0.014 0.000 0.927 158 T HN 0.344 nan 8.240 nan 0.000 0.456 159 L N 3.920 125.111 121.223 -0.053 0.000 2.275 159 L HA 0.471 4.811 4.340 -0.000 0.000 0.288 159 L C -0.184 176.629 176.870 -0.096 0.000 1.046 159 L CA -0.795 53.991 54.840 -0.091 0.000 0.805 159 L CB 0.703 42.644 42.059 -0.197 0.000 1.193 159 L HN 0.396 nan 8.230 nan 0.000 0.426 160 L N 3.916 125.106 121.223 -0.056 0.000 2.260 160 L HA 0.682 5.022 4.340 -0.000 0.000 0.289 160 L C 0.270 177.124 176.870 -0.027 0.000 1.057 160 L CA -0.153 54.668 54.840 -0.032 0.000 0.811 160 L CB 1.173 43.236 42.059 0.006 0.000 1.184 160 L HN 0.722 nan 8.230 nan 0.000 0.429 161 A N 2.298 125.098 122.820 -0.033 0.000 2.387 161 A HA 0.646 4.966 4.320 -0.000 0.000 0.303 161 A C -0.922 176.681 177.584 0.032 0.000 1.145 161 A CA -0.788 51.263 52.037 0.025 0.000 0.801 161 A CB 1.189 20.197 19.000 0.013 0.000 1.342 161 A HN 0.725 nan 8.150 nan 0.000 0.440 162 D N 0.403 120.842 120.400 0.066 0.000 2.362 162 D HA 0.065 4.705 4.640 -0.000 0.000 0.238 162 D C 0.693 176.992 176.300 -0.002 0.000 1.212 162 D CA -0.018 54.006 54.000 0.040 0.000 0.902 162 D CB 0.521 41.362 40.800 0.069 0.000 1.180 162 D HN 0.516 nan 8.370 nan 0.000 0.445 163 K N 0.423 120.817 120.400 -0.010 0.000 2.009 163 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 163 K C 2.133 178.698 176.600 -0.058 0.000 1.049 163 K CA 1.661 57.930 56.287 -0.029 0.000 0.929 163 K CB -0.485 32.004 32.500 -0.019 0.000 0.714 163 K HN 0.537 nan 8.250 nan 0.000 0.440 164 A N 1.148 123.933 122.820 -0.058 0.000 1.927 164 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 164 A C 2.301 179.759 177.584 -0.210 0.000 1.185 164 A CA 2.227 54.209 52.037 -0.091 0.000 0.639 164 A CB -1.156 17.814 19.000 -0.050 0.000 0.820 164 A HN 0.492 nan 8.150 nan 0.000 0.451 165 G N -1.713 106.868 108.800 -0.365 0.000 3.042 165 G HA2 0.098 4.058 3.960 -0.000 0.000 0.212 165 G HA3 0.098 4.058 3.960 -0.000 0.000 0.212 165 G C 1.270 175.984 174.900 -0.310 0.000 1.166 165 G CA 0.746 45.388 45.100 -0.762 0.000 0.767 165 G HN 0.661 nan 8.290 nan 0.000 0.546 166 Q N 0.538 120.243 119.800 -0.158 0.000 2.077 166 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 166 Q C 2.695 178.655 176.000 -0.067 0.000 0.989 166 Q CA 2.029 57.779 55.803 -0.087 0.000 0.853 166 Q CB -0.301 28.399 28.738 -0.064 0.000 0.907 166 Q HN 0.369 nan 8.270 nan 0.000 0.418 167 A N 0.736 123.515 122.820 -0.068 0.000 1.908 167 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 167 A C 1.961 179.538 177.584 -0.012 0.000 1.181 167 A CA 1.691 53.705 52.037 -0.040 0.000 0.627 167 A CB -0.647 18.328 19.000 -0.040 0.000 0.818 167 A HN 0.445 nan 8.150 nan 0.000 0.445 168 E N -0.149 120.048 120.200 -0.005 0.000 2.110 168 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 168 E C 2.211 178.921 176.600 0.183 0.000 0.988 168 E CA 1.334 57.795 56.400 0.101 0.000 0.804 168 E CB -0.435 29.344 29.700 0.130 0.000 0.745 168 E HN 0.437 nan 8.360 nan 0.000 0.458 169 V N 1.210 121.189 119.914 0.109 0.000 2.358 169 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 169 V C 2.110 178.214 176.094 0.017 0.000 1.047 169 V CA 1.756 64.101 62.300 0.076 0.000 1.035 169 V CB -0.516 31.261 31.823 -0.076 0.000 0.658 169 V HN 0.219 nan 8.190 nan 0.000 0.452 170 E N 0.068 120.263 120.200 -0.009 0.000 2.077 170 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 170 E C 2.420 179.002 176.600 -0.031 0.000 0.989 170 E CA 1.267 57.653 56.400 -0.024 0.000 0.800 170 E CB -0.231 29.452 29.700 -0.028 0.000 0.746 170 E HN 0.444 nan 8.360 nan 0.000 0.452 171 R N 0.621 121.113 120.500 -0.014 0.000 2.083 171 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 171 R C 2.295 178.531 176.300 -0.106 0.000 1.137 171 R CA 1.453 57.500 56.100 -0.088 0.000 0.951 171 R CB -0.244 30.048 30.300 -0.013 0.000 0.851 171 R HN 0.173 nan 8.270 nan 0.000 0.434 172 A N 0.054 122.913 122.820 0.065 0.000 1.902 172 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 172 A C 2.273 179.825 177.584 -0.053 0.000 1.181 172 A CA 1.640 53.598 52.037 -0.133 0.000 0.623 172 A CB -0.585 18.313 19.000 -0.170 0.000 0.818 172 A HN 0.240 nan 8.150 nan 0.000 0.443 173 V N 0.364 120.267 119.914 -0.019 0.000 2.343 173 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 173 V C 2.573 178.671 176.094 0.006 0.000 1.051 173 V CA 2.447 64.745 62.300 -0.004 0.000 1.036 173 V CB -0.632 31.182 31.823 -0.015 0.000 0.654 173 V HN 0.724 nan 8.190 nan 0.000 0.451 174 K N -0.531 119.855 120.400 -0.023 0.000 2.026 174 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 174 K C 2.117 178.784 176.600 0.111 0.000 1.048 174 K CA 2.081 58.375 56.287 0.011 0.000 0.929 174 K CB -0.314 32.165 32.500 -0.035 0.000 0.713 174 K HN 0.664 nan 8.250 nan 0.000 0.439 175 H N -0.685 118.430 119.070 0.074 0.000 2.321 175 H HA -0.066 4.490 4.556 -0.000 0.000 0.300 175 H C 2.108 177.456 175.328 0.034 0.000 1.087 175 H CA 0.792 56.881 56.048 0.068 0.000 1.319 175 H CB 0.011 29.846 29.762 0.123 0.000 1.379 175 H HN 0.398 nan 8.280 nan 0.000 0.501 176 A N 0.485 123.386 122.820 0.135 0.000 1.972 176 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 176 A C 2.459 180.082 177.584 0.065 0.000 1.169 176 A CA 1.662 53.743 52.037 0.072 0.000 0.635 176 A CB -0.529 18.495 19.000 0.040 0.000 0.810 176 A HN 0.279 nan 8.150 nan 0.000 0.446 177 S N -0.335 115.406 115.700 0.067 0.000 2.368 177 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 177 S C 2.336 176.974 174.600 0.063 0.000 1.030 177 S CA 1.162 59.397 58.200 0.058 0.000 0.999 177 S CB -0.441 62.789 63.200 0.050 0.000 0.844 177 S HN 0.799 nan 8.310 nan 0.000 0.459 178 A N 1.503 124.369 122.820 0.077 0.000 1.865 178 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 178 A C 2.071 179.687 177.584 0.053 0.000 1.191 178 A CA 1.500 53.576 52.037 0.065 0.000 0.623 178 A CB -0.815 18.231 19.000 0.076 0.000 0.826 178 A HN 0.485 nan 8.150 nan 0.000 0.444 179 I N -0.166 120.436 120.570 0.054 0.000 2.179 179 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 179 I C 2.979 179.123 176.117 0.045 0.000 1.088 179 I CA 1.081 62.406 61.300 0.041 0.000 1.357 179 I CB -0.412 37.608 38.000 0.034 0.000 1.051 179 I HN 0.346 nan 8.210 nan 0.000 0.409 180 A N 0.344 123.193 122.820 0.048 0.000 1.917 180 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 180 A C 2.412 180.041 177.584 0.075 0.000 1.182 180 A CA 2.684 54.753 52.037 0.053 0.000 0.633 180 A CB -1.211 17.820 19.000 0.052 0.000 0.819 180 A HN 0.409 nan 8.150 nan 0.000 0.448 181 T N -0.406 114.194 114.554 0.076 0.000 2.737 181 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 181 T C 1.995 176.766 174.700 0.118 0.000 1.038 181 T CA 1.441 63.594 62.100 0.089 0.000 1.144 181 T CB -0.693 68.213 68.868 0.063 0.000 0.866 181 T HN 0.610 nan 8.240 nan 0.000 0.434 182 G N 1.224 110.087 108.800 0.105 0.000 2.442 182 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 182 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 182 G C 1.543 176.527 174.900 0.141 0.000 1.141 182 G CA 0.840 46.026 45.100 0.144 0.000 0.763 182 G HN 0.428 nan 8.290 nan 0.000 0.554 183 M N 0.665 120.312 119.600 0.079 0.000 2.175 183 M HA 0.096 4.575 4.480 -0.000 0.000 0.264 183 M C 3.035 179.337 176.300 0.003 0.000 1.063 183 M CA 1.211 56.521 55.300 0.018 0.000 1.119 183 M CB -0.153 32.432 32.600 -0.024 0.000 1.377 183 M HN 0.281 nan 8.290 nan 0.000 0.415 184 A N 0.207 123.084 122.820 0.096 0.000 1.933 184 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 184 A C 1.998 179.772 177.584 0.317 0.000 1.175 184 A CA 1.416 53.587 52.037 0.222 0.000 0.628 184 A CB -0.875 18.334 19.000 0.348 0.000 0.814 184 A HN 0.487 nan 8.150 nan 0.000 0.444 185 F N 1.313 121.319 119.950 0.093 0.000 2.084 185 F HA -0.090 4.437 4.527 -0.000 0.000 0.296 185 F C 2.508 178.337 175.800 0.048 0.000 1.111 185 F CA 2.000 60.042 58.000 0.071 0.000 1.224 185 F CB -1.095 37.933 39.000 0.045 0.000 0.991 185 F HN 0.213 nan 8.300 nan 0.000 0.471 186 T N 1.140 115.706 114.554 0.020 0.000 2.624 186 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 186 T C 2.121 176.767 174.700 -0.090 0.000 1.041 186 T CA 2.209 64.259 62.100 -0.084 0.000 1.159 186 T CB -0.304 68.551 68.868 -0.022 0.000 0.863 186 T HN 0.250 nan 8.240 nan 0.000 0.434 187 R N 0.730 121.162 120.500 -0.113 0.000 2.081 187 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 187 R C 2.319 178.573 176.300 -0.076 0.000 1.131 187 R CA 1.466 57.442 56.100 -0.207 0.000 0.960 187 R CB -0.316 29.583 30.300 -0.669 0.000 0.856 187 R HN 0.363 nan 8.270 nan 0.000 0.436 188 D N 0.899 121.374 120.400 0.126 0.000 2.092 188 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 188 D C 1.985 178.307 176.300 0.037 0.000 0.994 188 D CA 1.158 55.282 54.000 0.206 0.000 0.828 188 D CB -0.258 40.790 40.800 0.413 0.000 0.963 188 D HN 0.144 nan 8.370 nan 0.000 0.450 189 L N 0.352 121.552 121.223 -0.037 0.000 2.079 189 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 189 L C 2.526 179.352 176.870 -0.074 0.000 1.081 189 L CA 1.469 56.264 54.840 -0.076 0.000 0.752 189 L CB -0.700 41.209 42.059 -0.250 0.000 0.896 189 L HN 0.105 nan 8.230 nan 0.000 0.433 190 G N -0.325 108.438 108.800 -0.063 0.000 2.404 190 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 190 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 190 G C 1.354 176.203 174.900 -0.085 0.000 1.189 190 G CA 0.408 45.520 45.100 0.020 0.000 0.789 190 G HN 0.299 nan 8.290 nan 0.000 0.533 191 N N 0.229 118.845 118.700 -0.140 0.000 2.289 191 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 191 N C 0.909 176.200 175.510 -0.366 0.000 1.016 191 N CA 0.081 52.904 53.050 -0.378 0.000 0.872 191 N CB -0.354 37.562 38.487 -0.951 0.000 0.973 191 N HN 0.222 nan 8.380 nan 0.000 0.433 192 L N 3.776 124.873 121.223 -0.209 0.000 2.540 192 L HA 0.097 4.437 4.340 -0.000 0.000 0.276 192 L C -2.078 174.696 176.870 -0.160 0.000 1.212 192 L CA -1.520 53.334 54.840 0.024 0.000 0.893 192 L CB -0.249 41.808 42.059 -0.003 0.000 1.138 192 L HN 0.029 nan 8.230 nan 0.000 0.491 193 P HA 0.172 nan 4.420 nan 0.000 0.271 193 P C -2.371 174.779 177.300 -0.250 0.000 1.218 193 P CA -1.393 61.541 63.100 -0.276 0.000 0.780 193 P CB 0.085 31.561 31.700 -0.373 0.000 0.901 194 P HA -0.146 nan 4.420 nan 0.000 0.226 194 P C 0.995 178.213 177.300 -0.136 0.000 1.153 194 P CA 1.175 64.177 63.100 -0.162 0.000 0.777 194 P CB -0.202 31.411 31.700 -0.145 0.000 0.794 195 N N 0.716 119.312 118.700 -0.174 0.000 2.244 195 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 195 N C 1.700 177.185 175.510 -0.042 0.000 1.016 195 N CA 1.123 54.117 53.050 -0.094 0.000 0.866 195 N CB -1.135 37.277 38.487 -0.124 0.000 0.980 195 N HN 0.266 nan 8.380 nan 0.000 0.430 196 L N -0.244 120.869 121.223 -0.183 0.000 2.286 196 L HA 0.195 4.535 4.340 -0.000 0.000 0.203 196 L C 1.028 177.437 176.870 -0.769 0.000 1.068 196 L CA 0.079 54.708 54.840 -0.352 0.000 0.811 196 L CB -0.053 41.833 42.059 -0.289 0.000 0.989 196 L HN 0.133 nan 8.230 nan 0.000 0.467 197 C N 2.195 121.133 119.300 -0.604 0.000 2.183 197 C HA 0.321 4.781 4.460 -0.000 0.000 0.409 197 C C 0.537 175.425 174.990 -0.170 0.000 1.022 197 C CA -0.749 57.938 59.018 -0.551 0.000 1.367 197 C CB -2.267 25.272 27.740 -0.334 0.000 1.650 197 C HN 0.409 nan 8.230 nan 0.000 0.499 198 H N 2.768 121.880 119.070 0.070 0.000 2.713 198 H HA 0.586 5.142 4.556 -0.000 0.000 0.340 198 H C -2.284 173.159 175.328 0.191 0.000 1.271 198 H CA -2.526 53.586 56.048 0.108 0.000 1.306 198 H CB -0.479 29.323 29.762 0.066 0.000 1.839 198 H HN -0.024 nan 8.280 nan 0.000 0.627 199 P HA -0.163 nan 4.420 nan 0.000 0.215 199 P C 1.303 178.771 177.300 0.280 0.000 1.157 199 P CA 2.104 65.358 63.100 0.256 0.000 0.868 199 P CB 0.057 31.868 31.700 0.185 0.000 0.788 200 S N -1.135 114.783 115.700 0.363 0.000 2.370 200 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 200 S C 1.646 176.425 174.600 0.299 0.000 1.033 200 S CA 1.216 59.598 58.200 0.304 0.000 1.011 200 S CB -1.293 62.068 63.200 0.270 0.000 0.852 200 S HN 0.161 nan 8.310 nan 0.000 0.457 201 F N 2.351 122.415 119.950 0.190 0.000 2.126 201 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 201 F C 1.770 177.585 175.800 0.025 0.000 1.096 201 F CA 1.313 59.287 58.000 -0.045 0.000 1.255 201 F CB -0.372 38.385 39.000 -0.406 0.000 0.997 201 F HN 0.095 nan 8.300 nan 0.000 0.479 202 L N -0.013 121.259 121.223 0.083 0.000 2.131 202 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 202 L C 2.830 179.754 176.870 0.091 0.000 1.092 202 L CA 1.006 55.878 54.840 0.053 0.000 0.759 202 L CB -1.239 40.971 42.059 0.251 0.000 0.903 202 L HN 0.297 nan 8.230 nan 0.000 0.435 203 A N -0.232 122.646 122.820 0.097 0.000 1.877 203 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 203 A C 2.204 179.820 177.584 0.054 0.000 1.186 203 A CA 1.416 53.512 52.037 0.098 0.000 0.620 203 A CB -0.320 18.736 19.000 0.093 0.000 0.822 203 A HN 0.303 nan 8.150 nan 0.000 0.443 204 E N 0.094 120.281 120.200 -0.021 0.000 2.077 204 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 204 E C 2.229 178.774 176.600 -0.093 0.000 0.989 204 E CA 1.122 57.488 56.400 -0.057 0.000 0.800 204 E CB -0.399 29.247 29.700 -0.090 0.000 0.746 204 E HN 0.630 nan 8.360 nan 0.000 0.452 205 Q N 0.028 119.700 119.800 -0.212 0.000 2.084 205 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 205 Q C 2.127 178.197 176.000 0.118 0.000 0.978 205 Q CA 1.382 57.088 55.803 -0.162 0.000 0.844 205 Q CB -0.334 28.163 28.738 -0.402 0.000 0.898 205 Q HN 0.248 nan 8.270 nan 0.000 0.426 206 A N 1.497 124.493 122.820 0.293 0.000 1.873 206 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 206 A C 2.112 179.819 177.584 0.205 0.000 1.186 206 A CA 1.451 53.719 52.037 0.386 0.000 0.616 206 A CB -0.350 18.830 19.000 0.300 0.000 0.823 206 A HN 0.237 nan 8.150 nan 0.000 0.442 207 K N -0.559 119.918 120.400 0.130 0.000 2.044 207 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 207 K C 2.157 178.808 176.600 0.084 0.000 1.049 207 K CA 1.771 58.114 56.287 0.092 0.000 0.927 207 K CB -0.169 32.369 32.500 0.063 0.000 0.713 207 K HN 0.715 nan 8.250 nan 0.000 0.443 208 E N 0.884 121.123 120.200 0.066 0.000 2.072 208 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 208 E C 2.084 178.726 176.600 0.070 0.000 0.985 208 E CA 0.685 57.111 56.400 0.043 0.000 0.801 208 E CB 0.011 29.714 29.700 0.006 0.000 0.750 208 E HN 0.103 nan 8.360 nan 0.000 0.452 209 L N 0.497 121.792 121.223 0.121 0.000 2.043 209 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 209 L C 2.271 179.287 176.870 0.243 0.000 1.075 209 L CA 2.222 57.178 54.840 0.193 0.000 0.752 209 L CB -0.710 41.505 42.059 0.260 0.000 0.891 209 L HN 0.267 nan 8.230 nan 0.000 0.432 210 G N -1.518 107.390 108.800 0.180 0.000 2.443 210 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 210 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 210 G C 1.558 176.533 174.900 0.126 0.000 1.131 210 G CA 0.403 45.599 45.100 0.159 0.000 0.775 210 G HN 0.354 nan 8.290 nan 0.000 0.547 211 K N 0.289 120.742 120.400 0.089 0.000 2.444 211 K HA 0.295 4.615 4.320 -0.000 0.000 0.193 211 K C 2.010 178.614 176.600 0.006 0.000 1.024 211 K CA 0.456 56.770 56.287 0.046 0.000 1.077 211 K CB 0.477 32.995 32.500 0.031 0.000 0.833 211 K HN 0.286 nan 8.250 nan 0.000 0.517 212 A N 0.400 123.217 122.820 -0.005 0.000 2.288 212 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 212 A C 0.104 177.461 177.584 -0.379 0.000 1.199 212 A CA -0.013 51.910 52.037 -0.189 0.000 0.891 212 A CB 0.238 19.086 19.000 -0.253 0.000 0.923 212 A HN 0.157 nan 8.150 nan 0.000 0.500 213 H N -0.205 118.895 119.070 0.049 0.000 2.667 213 H HA 0.196 4.752 4.556 -0.000 0.000 0.353 213 H C 0.134 175.505 175.328 0.072 0.000 1.072 213 H CA -0.118 55.972 56.048 0.070 0.000 1.214 213 H CB 1.738 31.563 29.762 0.105 0.000 1.600 213 H HN 0.379 nan 8.280 nan 0.000 0.527 214 K N 0.755 121.254 120.400 0.165 0.000 2.148 214 K HA 0.055 4.375 4.320 -0.000 0.000 0.204 214 K C 1.392 178.044 176.600 0.086 0.000 1.050 214 K CA 1.275 57.622 56.287 0.100 0.000 0.942 214 K CB 0.221 32.756 32.500 0.059 0.000 0.724 214 K HN 0.339 nan 8.250 nan 0.000 0.446 215 A N 1.161 124.041 122.820 0.100 0.000 2.307 215 A HA 0.215 4.535 4.320 -0.000 0.000 0.218 215 A C 0.281 177.876 177.584 0.019 0.000 1.228 215 A CA -0.281 51.745 52.037 -0.018 0.000 0.857 215 A CB -0.033 18.852 19.000 -0.191 0.000 0.897 215 A HN 0.324 nan 8.150 nan 0.000 0.495 216 L N -0.226 121.080 121.223 0.139 0.000 2.343 216 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 216 L C -0.453 176.489 176.870 0.121 0.000 0.996 216 L CA -0.360 54.576 54.840 0.161 0.000 0.831 216 L CB 1.334 43.520 42.059 0.212 0.000 1.232 216 L HN 0.111 nan 8.230 nan 0.000 0.413 217 K N 4.110 124.568 120.400 0.096 0.000 2.221 217 K HA 0.758 5.078 4.320 -0.000 0.000 0.258 217 K C -1.647 175.008 176.600 0.091 0.000 0.944 217 K CA -0.712 55.628 56.287 0.089 0.000 0.823 217 K CB 1.781 34.326 32.500 0.075 0.000 1.113 217 K HN 0.512 nan 8.250 nan 0.000 0.431 218 V N 3.011 122.979 119.914 0.091 0.000 2.628 218 V HA 0.383 4.503 4.120 -0.000 0.000 0.306 218 V C -0.868 175.277 176.094 0.085 0.000 1.045 218 V CA -0.719 61.633 62.300 0.088 0.000 0.905 218 V CB 1.641 33.522 31.823 0.096 0.000 0.997 218 V HN 0.899 nan 8.190 nan 0.000 0.436 219 E N 2.989 123.241 120.200 0.087 0.000 2.260 219 E HA 0.614 4.964 4.350 -0.000 0.000 0.266 219 E C -1.986 174.656 176.600 0.070 0.000 0.887 219 E CA -0.469 55.984 56.400 0.087 0.000 0.777 219 E CB 2.229 32.001 29.700 0.119 0.000 1.205 219 E HN 0.435 nan 8.360 nan 0.000 0.414 220 V N 5.512 125.460 119.914 0.056 0.000 2.370 220 V HA 0.333 4.453 4.120 -0.000 0.000 0.283 220 V C -0.710 175.394 176.094 0.017 0.000 1.023 220 V CA -0.738 61.586 62.300 0.039 0.000 0.857 220 V CB 1.065 32.916 31.823 0.047 0.000 0.985 220 V HN 0.595 nan 8.190 nan 0.000 0.443 221 L N 5.881 127.093 121.223 -0.019 0.000 2.272 221 L HA 0.504 4.844 4.340 -0.000 0.000 0.289 221 L C 0.256 177.085 176.870 -0.070 0.000 1.032 221 L CA -0.323 54.488 54.840 -0.049 0.000 0.810 221 L CB 1.160 43.157 42.059 -0.105 0.000 1.205 221 L HN 0.776 nan 8.230 nan 0.000 0.422 222 D N 0.832 121.206 120.400 -0.043 0.000 2.478 222 D HA 0.058 4.698 4.640 -0.000 0.000 0.274 222 D C 0.915 177.180 176.300 -0.057 0.000 1.234 222 D CA -0.464 53.514 54.000 -0.037 0.000 1.069 222 D CB 0.459 41.256 40.800 -0.005 0.000 1.113 222 D HN 0.595 nan 8.370 nan 0.000 0.571 223 E N -0.565 119.618 120.200 -0.028 0.000 2.085 223 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 223 E C 1.747 178.412 176.600 0.109 0.000 0.994 223 E CA 1.193 57.601 56.400 0.013 0.000 0.801 223 E CB 0.063 29.769 29.700 0.010 0.000 0.743 223 E HN 0.419 nan 8.360 nan 0.000 0.453 224 K N 0.594 121.036 120.400 0.069 0.000 2.025 224 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 224 K C 2.226 178.834 176.600 0.013 0.000 1.049 224 K CA 1.539 57.858 56.287 0.052 0.000 0.933 224 K CB -0.085 32.434 32.500 0.032 0.000 0.714 224 K HN -0.106 nan 8.250 nan 0.000 0.438 225 K N 1.388 121.786 120.400 -0.003 0.000 2.057 225 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 225 K C 1.928 178.502 176.600 -0.043 0.000 1.049 225 K CA 1.212 57.489 56.287 -0.017 0.000 0.931 225 K CB -0.301 32.190 32.500 -0.016 0.000 0.714 225 K HN 0.171 nan 8.250 nan 0.000 0.440 226 I N 0.877 121.392 120.570 -0.092 0.000 2.151 226 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 226 I C 2.570 178.664 176.117 -0.038 0.000 1.080 226 I CA 1.625 62.830 61.300 -0.158 0.000 1.339 226 I CB -0.306 37.475 38.000 -0.365 0.000 1.039 226 I HN 0.269 nan 8.210 nan 0.000 0.409 227 K N 0.767 121.173 120.400 0.009 0.000 2.002 227 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 227 K C 1.751 178.303 176.600 -0.081 0.000 1.048 227 K CA 2.017 58.241 56.287 -0.105 0.000 0.930 227 K CB -0.151 32.167 32.500 -0.303 0.000 0.714 227 K HN 0.190 nan 8.250 nan 0.000 0.438 228 D N 1.115 121.483 120.400 -0.052 0.000 2.190 228 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 228 D C 1.840 178.138 176.300 -0.003 0.000 0.992 228 D CA 1.001 54.984 54.000 -0.029 0.000 0.854 228 D CB -0.138 40.654 40.800 -0.014 0.000 0.936 228 D HN 0.282 nan 8.370 nan 0.000 0.462 229 L N -0.700 120.531 121.223 0.015 0.000 2.465 229 L HA 0.043 4.383 4.340 -0.000 0.000 0.224 229 L C 1.512 178.414 176.870 0.053 0.000 1.145 229 L CA 0.665 55.536 54.840 0.052 0.000 0.834 229 L CB -0.222 41.897 42.059 0.099 0.000 0.944 229 L HN 0.173 nan 8.230 nan 0.000 0.451 230 G N -0.241 108.576 108.800 0.029 0.000 2.130 230 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.216 230 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.216 230 G C 0.323 175.265 174.900 0.071 0.000 0.999 230 G CA -0.274 44.847 45.100 0.034 0.000 0.686 230 G HN 0.251 nan 8.290 nan 0.000 0.515 231 M N 2.023 121.674 119.600 0.085 0.000 3.436 231 M HA 0.311 4.791 4.480 -0.000 0.000 0.240 231 M C 1.909 178.317 176.300 0.180 0.000 1.469 231 M CA 0.596 55.985 55.300 0.149 0.000 1.622 231 M CB 0.117 32.809 32.600 0.153 0.000 1.098 231 M HN 0.246 nan 8.290 nan 0.000 0.568 232 G N 0.748 109.636 108.800 0.147 0.000 2.432 232 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 232 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 232 G C 1.486 176.507 174.900 0.201 0.000 1.135 232 G CA 1.072 46.260 45.100 0.146 0.000 0.767 232 G HN 0.672 nan 8.290 nan 0.000 0.550 233 A N 0.318 123.255 122.820 0.195 0.000 1.855 233 A HA 0.197 4.517 4.320 -0.000 0.000 0.213 233 A C 2.162 179.867 177.584 0.203 0.000 1.195 233 A CA 1.124 53.262 52.037 0.168 0.000 0.610 233 A CB -0.602 18.473 19.000 0.126 0.000 0.837 233 A HN 0.347 nan 8.150 nan 0.000 0.444 234 F N -1.288 118.701 119.950 0.065 0.000 2.091 234 F HA -0.295 4.232 4.527 0.000 0.000 0.299 234 F C 2.289 178.129 175.800 0.067 0.000 1.103 234 F CA 2.041 60.070 58.000 0.048 0.000 1.228 234 F CB -0.217 38.811 39.000 0.047 0.000 0.984 234 F HN 0.404 nan 8.300 nan 0.000 0.477 235 Y N 0.485 120.937 120.300 0.253 0.000 2.181 235 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 235 Y C 2.315 178.282 175.900 0.111 0.000 1.146 235 Y CA 1.448 59.622 58.100 0.123 0.000 1.164 235 Y CB -0.717 37.773 38.460 0.049 0.000 0.982 235 Y HN 0.091 nan 8.280 nan 0.000 0.515 236 A N -0.822 122.162 122.820 0.273 0.000 1.940 236 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 236 A C 2.297 179.919 177.584 0.062 0.000 1.176 236 A CA 1.946 54.085 52.037 0.169 0.000 0.631 236 A CB -1.279 17.809 19.000 0.147 0.000 0.814 236 A HN 0.344 nan 8.150 nan 0.000 0.446 237 V N -0.445 119.506 119.914 0.061 0.000 2.307 237 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 237 V C 2.693 178.781 176.094 -0.011 0.000 1.045 237 V CA 2.061 64.370 62.300 0.016 0.000 1.024 237 V CB -1.153 30.669 31.823 -0.001 0.000 0.651 237 V HN 0.614 nan 8.190 nan 0.000 0.449 238 G N -0.371 108.411 108.800 -0.030 0.000 2.623 238 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.214 238 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.214 238 G C 1.412 176.212 174.900 -0.166 0.000 1.138 238 G CA 0.596 45.653 45.100 -0.073 0.000 0.794 238 G HN 0.667 nan 8.290 nan 0.000 0.535 239 Q N 0.044 119.695 119.800 -0.250 0.000 2.291 239 Q HA 0.064 4.404 4.340 -0.000 0.000 0.206 239 Q C 2.235 178.174 176.000 -0.103 0.000 0.976 239 Q CA 1.367 57.011 55.803 -0.266 0.000 0.875 239 Q CB -0.490 28.121 28.738 -0.212 0.000 0.927 239 Q HN 0.233 nan 8.270 nan 0.000 0.450 240 G N 0.737 109.502 108.800 -0.058 0.000 2.598 240 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.215 240 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.215 240 G C 0.387 175.272 174.900 -0.024 0.000 1.131 240 G CA 0.278 45.363 45.100 -0.025 0.000 0.785 240 G HN 0.325 nan 8.290 nan 0.000 0.539 241 S N -0.496 115.183 115.700 -0.036 0.000 2.617 241 S HA 0.306 4.776 4.470 -0.000 0.000 0.283 241 S C 0.775 175.351 174.600 -0.040 0.000 1.189 241 S CA -0.605 57.578 58.200 -0.029 0.000 1.036 241 S CB 1.256 64.444 63.200 -0.019 0.000 1.014 241 S HN 0.072 nan 8.310 nan 0.000 0.522 242 D N 1.294 121.671 120.400 -0.040 0.000 2.264 242 D HA 0.025 4.665 4.640 -0.000 0.000 0.208 242 D C 0.184 176.443 176.300 -0.068 0.000 0.966 242 D CA 1.062 55.033 54.000 -0.048 0.000 0.864 242 D CB 0.153 40.923 40.800 -0.049 0.000 0.933 242 D HN 0.450 nan 8.370 nan 0.000 0.499 243 Q N 1.345 121.101 119.800 -0.074 0.000 2.322 243 Q HA 0.267 4.607 4.340 -0.000 0.000 0.256 243 Q C -2.205 173.762 176.000 -0.055 0.000 0.960 243 Q CA -1.738 54.007 55.803 -0.097 0.000 0.934 243 Q CB 1.783 30.454 28.738 -0.112 0.000 1.200 243 Q HN 0.190 nan 8.270 nan 0.000 0.435 244 P HA 0.381 nan 4.420 nan 0.000 0.280 244 P C -2.628 174.664 177.300 -0.013 0.000 1.272 244 P CA -1.740 61.331 63.100 -0.049 0.000 0.819 244 P CB 0.282 31.954 31.700 -0.047 0.000 1.122 245 P HA 0.289 nan 4.420 nan 0.000 0.276 245 P C -0.492 176.816 177.300 0.013 0.000 1.244 245 P CA -0.064 63.060 63.100 0.040 0.000 0.801 245 P CB 0.686 32.416 31.700 0.051 0.000 1.006 246 R N 1.030 121.576 120.500 0.078 0.000 2.621 246 R HA 0.493 4.833 4.340 -0.000 0.000 0.284 246 R C -1.005 175.344 176.300 0.082 0.000 0.998 246 R CA -1.053 55.070 56.100 0.038 0.000 0.895 246 R CB 1.453 31.802 30.300 0.081 0.000 1.195 246 R HN 0.431 nan 8.270 nan 0.000 0.450 247 L N 4.095 125.295 121.223 -0.039 0.000 2.277 247 L HA 0.537 4.877 4.340 -0.000 0.000 0.284 247 L C -0.869 175.994 176.870 -0.010 0.000 1.028 247 L CA -0.202 54.647 54.840 0.014 0.000 0.835 247 L CB 0.661 42.636 42.059 -0.140 0.000 1.215 247 L HN 0.549 nan 8.230 nan 0.000 0.425 248 I N 5.763 126.349 120.570 0.026 0.000 2.331 248 I HA 0.372 4.541 4.170 -0.000 0.000 0.292 248 I C -0.483 175.631 176.117 -0.005 0.000 0.998 248 I CA -0.776 60.532 61.300 0.013 0.000 1.267 248 I CB 1.553 39.563 38.000 0.016 0.000 1.386 248 I HN 0.252 nan 8.210 nan 0.000 0.476 249 V N 7.712 127.643 119.914 0.028 0.000 2.328 249 V HA 0.327 4.447 4.120 -0.000 0.000 0.278 249 V C -0.211 175.899 176.094 0.027 0.000 1.021 249 V CA -0.501 61.831 62.300 0.053 0.000 0.838 249 V CB 1.074 33.003 31.823 0.176 0.000 0.999 249 V HN 0.416 nan 8.190 nan 0.000 0.447 250 L N 4.866 126.072 121.223 -0.029 0.000 2.283 250 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 250 L C 0.273 177.139 176.870 -0.007 0.000 1.033 250 L CA 0.053 54.886 54.840 -0.013 0.000 0.848 250 L CB 0.806 42.830 42.059 -0.059 0.000 1.226 250 L HN 0.479 nan 8.230 nan 0.000 0.429 251 N N 2.689 121.409 118.700 0.033 0.000 2.527 251 N HA 0.088 4.828 4.740 -0.000 0.000 0.236 251 N C -1.471 174.100 175.510 0.102 0.000 0.999 251 N CA -0.390 52.679 53.050 0.033 0.000 0.935 251 N CB 0.618 39.128 38.487 0.039 0.000 1.132 251 N HN 0.467 nan 8.380 nan 0.000 0.511 252 Y N 3.325 123.614 120.300 -0.018 0.000 2.367 252 Y HA 0.296 4.846 4.550 -0.000 0.000 0.342 252 Y C -0.496 175.412 175.900 0.013 0.000 0.979 252 Y CA -0.532 57.568 58.100 -0.000 0.000 1.161 252 Y CB 0.799 39.250 38.460 -0.014 0.000 1.155 252 Y HN 0.313 nan 8.280 nan 0.000 0.503 253 Q N 5.487 125.042 119.800 -0.408 0.000 2.465 253 Q HA 0.301 4.641 4.340 -0.000 0.000 0.237 253 Q C 0.316 175.939 176.000 -0.629 0.000 1.051 253 Q CA 0.083 55.669 55.803 -0.360 0.000 0.874 253 Q CB 1.491 30.127 28.738 -0.169 0.000 1.207 253 Q HN 1.110 nan 8.270 nan 0.000 0.508 254 G N 1.030 109.444 108.800 -0.643 0.000 3.062 254 G HA2 0.257 4.217 3.960 -0.000 0.000 0.228 254 G HA3 0.257 4.217 3.960 -0.000 0.000 0.228 254 G C 0.544 175.392 174.900 -0.086 0.000 1.094 254 G CA 0.350 45.193 45.100 -0.429 0.000 0.782 254 G HN 0.548 nan 8.290 nan 0.000 0.541 255 G N 0.022 108.797 108.800 -0.042 0.000 2.971 255 G HA2 0.513 4.473 3.960 -0.000 0.000 0.235 255 G HA3 0.513 4.473 3.960 -0.000 0.000 0.235 255 G C -0.328 174.565 174.900 -0.013 0.000 1.351 255 G CA -0.804 44.300 45.100 0.008 0.000 1.039 255 G HN 0.181 nan 8.290 nan 0.000 0.563 256 K N -0.257 120.144 120.400 0.002 0.000 2.230 256 K HA 0.108 4.428 4.320 -0.000 0.000 0.253 256 K C 1.198 177.793 176.600 -0.009 0.000 1.008 256 K CA -0.233 56.052 56.287 -0.004 0.000 0.910 256 K CB 1.079 33.580 32.500 0.002 0.000 0.994 256 K HN 0.432 nan 8.250 nan 0.000 0.495 257 K N 0.911 121.306 120.400 -0.008 0.000 2.155 257 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 257 K C 1.548 178.147 176.600 -0.002 0.000 1.052 257 K CA 1.229 57.512 56.287 -0.006 0.000 0.948 257 K CB 0.033 32.530 32.500 -0.004 0.000 0.728 257 K HN 0.665 nan 8.250 nan 0.000 0.448 258 A N 0.997 123.815 122.820 -0.003 0.000 2.238 258 A HA -0.000 4.320 4.320 -0.000 0.000 0.208 258 A C -0.222 177.355 177.584 -0.011 0.000 1.177 258 A CA 0.183 52.217 52.037 -0.004 0.000 0.804 258 A CB -0.002 18.996 19.000 -0.003 0.000 0.823 258 A HN 0.183 nan 8.150 nan 0.000 0.482 259 D N 1.706 122.098 120.400 -0.013 0.000 2.401 259 D HA 0.148 4.788 4.640 -0.000 0.000 0.254 259 D C -0.086 176.181 176.300 -0.056 0.000 1.192 259 D CA 0.452 54.434 54.000 -0.029 0.000 0.885 259 D CB 0.624 41.417 40.800 -0.012 0.000 1.147 259 D HN 0.258 nan 8.370 nan 0.000 0.478 260 K N 4.128 124.473 120.400 -0.091 0.000 2.451 260 K HA 0.119 4.439 4.320 -0.000 0.000 0.280 260 K C -1.980 174.481 176.600 -0.233 0.000 1.020 260 K CA -0.983 55.233 56.287 -0.119 0.000 1.008 260 K CB 0.501 32.932 32.500 -0.115 0.000 0.917 260 K HN 0.284 nan 8.250 nan 0.000 0.478 261 P HA 0.117 nan 4.420 nan 0.000 0.276 261 P C -0.839 176.232 177.300 -0.382 0.000 1.261 261 P CA -0.237 62.748 63.100 -0.192 0.000 0.800 261 P CB 0.501 32.171 31.700 -0.050 0.000 1.066 262 F N -0.861 119.103 119.950 0.023 0.000 2.421 262 F HA 0.370 4.897 4.527 -0.000 0.000 0.337 262 F C 0.371 176.163 175.800 -0.014 0.000 1.105 262 F CA -0.681 57.341 58.000 0.037 0.000 1.049 262 F CB 1.418 40.470 39.000 0.086 0.000 1.139 262 F HN -0.096 nan 8.300 nan 0.000 0.479 263 V N 4.878 124.868 119.914 0.127 0.000 2.448 263 V HA 0.424 4.544 4.120 -0.000 0.000 0.295 263 V C -0.336 175.785 176.094 0.045 0.000 1.025 263 V CA -0.790 61.519 62.300 0.014 0.000 0.859 263 V CB 1.769 33.553 31.823 -0.066 0.000 0.988 263 V HN 0.537 nan 8.190 nan 0.000 0.431 264 L N 5.478 126.713 121.223 0.019 0.000 2.296 264 L HA 0.647 4.987 4.340 -0.000 0.000 0.286 264 L C -0.706 176.170 176.870 0.011 0.000 1.023 264 L CA -0.730 54.119 54.840 0.016 0.000 0.812 264 L CB 1.905 43.963 42.059 -0.002 0.000 1.223 264 L HN 0.347 nan 8.230 nan 0.000 0.421 265 V N 2.200 122.141 119.914 0.044 0.000 2.384 265 V HA 0.662 4.782 4.120 -0.000 0.000 0.287 265 V C 0.419 176.540 176.094 0.044 0.000 1.020 265 V CA -0.463 61.872 62.300 0.059 0.000 0.850 265 V CB 1.549 33.444 31.823 0.120 0.000 0.987 265 V HN 0.866 nan 8.190 nan 0.000 0.436 266 G N 3.101 111.908 108.800 0.011 0.000 2.530 266 G HA2 0.498 4.458 3.960 -0.000 0.000 0.316 266 G HA3 0.498 4.458 3.960 -0.000 0.000 0.316 266 G C -0.704 174.194 174.900 -0.003 0.000 1.298 266 G CA -0.763 44.340 45.100 0.006 0.000 0.948 266 G HN 0.654 nan 8.290 nan 0.000 0.486 267 K N 1.512 121.914 120.400 0.003 0.000 2.402 267 K HA 0.301 4.621 4.320 -0.000 0.000 0.285 267 K C 0.724 177.315 176.600 -0.014 0.000 1.054 267 K CA -0.070 56.201 56.287 -0.025 0.000 1.001 267 K CB 0.356 32.850 32.500 -0.010 0.000 0.946 267 K HN 0.445 nan 8.250 nan 0.000 0.473 268 G N 6.237 115.023 108.800 -0.023 0.000 4.637 268 G HA2 0.202 4.162 3.960 -0.000 0.000 0.308 268 G HA3 0.202 4.162 3.960 -0.000 0.000 0.308 268 G C -0.122 174.784 174.900 0.010 0.000 1.377 268 G CA -0.512 44.597 45.100 0.016 0.000 1.176 268 G HN 0.538 nan 8.290 nan 0.000 0.601 269 I N 2.988 123.543 120.570 -0.025 0.000 2.471 269 I HA 0.036 4.206 4.170 -0.000 0.000 0.294 269 I C 1.966 178.071 176.117 -0.019 0.000 1.123 269 I CA 0.210 61.491 61.300 -0.031 0.000 1.336 269 I CB -0.041 37.915 38.000 -0.074 0.000 1.430 269 I HN 0.301 nan 8.210 nan 0.000 0.533 270 T N 3.272 117.848 114.554 0.036 0.000 2.951 270 T HA -0.015 4.335 4.350 -0.000 0.000 0.268 270 T C 0.352 175.122 174.700 0.117 0.000 1.073 270 T CA 0.662 62.799 62.100 0.063 0.000 1.134 270 T CB 0.075 69.009 68.868 0.109 0.000 0.884 270 T HN 0.269 nan 8.240 nan 0.000 0.479 271 F N 0.680 120.592 119.950 -0.063 0.000 2.608 271 F HA 0.527 5.054 4.527 -0.000 0.000 0.309 271 F C -2.129 173.629 175.800 -0.069 0.000 1.103 271 F CA -1.560 56.386 58.000 -0.090 0.000 0.954 271 F CB 2.227 41.172 39.000 -0.093 0.000 1.267 271 F HN -0.106 nan 8.300 nan 0.000 0.444 272 D N 2.157 122.068 120.400 -0.815 0.000 2.462 272 D HA 0.217 4.857 4.640 -0.000 0.000 0.245 272 D C 0.578 176.591 176.300 -0.477 0.000 1.122 272 D CA -0.073 53.654 54.000 -0.455 0.000 0.864 272 D CB 1.491 42.081 40.800 -0.350 0.000 1.098 272 D HN 0.597 nan 8.370 nan 0.000 0.541 273 T N 0.462 114.958 114.554 -0.097 0.000 3.113 273 T HA 0.282 4.632 4.350 -0.000 0.000 0.256 273 T C 1.558 176.244 174.700 -0.023 0.000 1.131 273 T CA 0.682 62.801 62.100 0.033 0.000 1.074 273 T CB 0.116 69.064 68.868 0.135 0.000 0.944 273 T HN 0.588 nan 8.240 nan 0.000 0.516 274 G N 0.746 109.510 108.800 -0.060 0.000 2.284 274 G HA2 0.096 4.056 3.960 -0.000 0.000 0.247 274 G HA3 0.096 4.056 3.960 -0.000 0.000 0.247 274 G C 1.187 176.074 174.900 -0.022 0.000 1.012 274 G CA 0.404 45.479 45.100 -0.041 0.000 0.618 274 G HN 1.765 nan 8.290 nan 0.000 0.521 275 G N 0.138 108.935 108.800 -0.005 0.000 2.512 275 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.254 275 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.254 275 G C 0.873 175.776 174.900 0.006 0.000 1.199 275 G CA 0.526 45.628 45.100 0.002 0.000 0.941 275 G HN 0.954 nan 8.290 nan 0.000 0.569 276 I N 1.641 122.213 120.570 0.005 0.000 2.315 276 I HA -0.030 4.140 4.170 -0.000 0.000 0.248 276 I C 2.170 178.290 176.117 0.005 0.000 1.117 276 I CA 1.956 63.260 61.300 0.007 0.000 1.404 276 I CB -1.258 36.747 38.000 0.008 0.000 1.071 276 I HN 0.344 nan 8.210 nan 0.000 0.419 277 S N 2.575 118.276 115.700 0.001 0.000 4.069 277 S HA 0.136 4.606 4.470 -0.000 0.000 0.192 277 S C 0.262 174.861 174.600 -0.002 0.000 1.441 277 S CA -0.355 57.845 58.200 -0.000 0.000 0.994 277 S CB -0.917 62.280 63.200 -0.005 0.000 1.456 277 S HN 0.138 nan 8.310 nan 0.000 0.458 278 L N 2.893 124.118 121.223 0.003 0.000 2.490 278 L HA 0.112 4.452 4.340 -0.000 0.000 0.274 278 L C 0.420 177.292 176.870 0.004 0.000 1.201 278 L CA 0.463 55.308 54.840 0.007 0.000 0.869 278 L CB 0.328 42.395 42.059 0.013 0.000 1.123 278 L HN 0.290 nan 8.230 nan 0.000 0.484 279 K N 5.376 125.777 120.400 0.001 0.000 2.276 279 K HA 0.218 4.538 4.320 -0.000 0.000 0.259 279 K C -2.107 174.501 176.600 0.012 0.000 1.001 279 K CA -1.294 54.993 56.287 0.000 0.000 0.927 279 K CB -0.255 32.236 32.500 -0.014 0.000 0.969 279 K HN 0.513 nan 8.250 nan 0.000 0.490 280 P HA -0.011 nan 4.420 nan 0.000 0.272 280 P C 0.638 177.953 177.300 0.026 0.000 1.230 280 P CA -0.254 62.857 63.100 0.018 0.000 0.788 280 P CB 0.533 32.242 31.700 0.016 0.000 0.949 281 G N 0.884 109.699 108.800 0.026 0.000 2.418 281 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 281 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 281 G C 0.583 175.505 174.900 0.036 0.000 1.158 281 G CA 0.655 45.774 45.100 0.032 0.000 0.771 281 G HN 0.810 nan 8.290 nan 0.000 0.545 282 A N -0.065 122.773 122.820 0.031 0.000 2.524 282 A HA 0.482 4.802 4.320 -0.000 0.000 0.250 282 A C 1.721 179.333 177.584 0.046 0.000 1.078 282 A CA 0.849 52.906 52.037 0.034 0.000 0.761 282 A CB -0.472 18.545 19.000 0.028 0.000 1.012 282 A HN 1.802 nan 8.150 nan 0.000 0.500 283 G N 2.039 110.872 108.800 0.054 0.000 2.187 283 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.261 283 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.261 283 G C 0.817 175.761 174.900 0.074 0.000 1.000 283 G CA 0.805 45.949 45.100 0.074 0.000 0.718 283 G HN 0.923 nan 8.290 nan 0.000 0.519 284 M N 0.611 120.253 119.600 0.070 0.000 2.374 284 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 284 M C 2.407 178.797 176.300 0.150 0.000 1.067 284 M CA 2.270 57.620 55.300 0.084 0.000 1.103 284 M CB -0.240 32.431 32.600 0.118 0.000 1.402 284 M HN 0.428 nan 8.290 nan 0.000 0.444 285 D N -0.003 120.473 120.400 0.127 0.000 2.221 285 D HA -0.248 4.392 4.640 -0.000 0.000 0.204 285 D C 1.078 177.391 176.300 0.021 0.000 0.982 285 D CA 1.476 55.542 54.000 0.110 0.000 0.857 285 D CB -0.854 39.962 40.800 0.028 0.000 0.934 285 D HN 0.513 nan 8.370 nan 0.000 0.475 286 E N -0.846 119.340 120.200 -0.023 0.000 2.516 286 E HA -0.002 4.348 4.350 -0.000 0.000 0.199 286 E C 1.418 177.763 176.600 -0.425 0.000 1.069 286 E CA 0.091 56.391 56.400 -0.168 0.000 0.876 286 E CB -0.059 29.673 29.700 0.053 0.000 0.843 286 E HN 0.257 nan 8.360 nan 0.000 0.530 287 M N 0.610 119.992 119.600 -0.364 0.000 2.619 287 M HA -0.054 4.426 4.480 -0.000 0.000 0.251 287 M C 1.828 177.752 176.300 -0.627 0.000 1.106 287 M CA 0.970 55.899 55.300 -0.619 0.000 1.086 287 M CB -0.440 31.609 32.600 -0.920 0.000 1.465 287 M HN 0.068 nan 8.290 nan 0.000 0.506 288 K N -0.526 119.670 120.400 -0.339 0.000 2.283 288 K HA -0.151 4.169 4.320 -0.000 0.000 0.202 288 K C 0.811 177.102 176.600 -0.515 0.000 1.048 288 K CA 1.303 57.424 56.287 -0.276 0.000 0.948 288 K CB -0.446 31.838 32.500 -0.359 0.000 0.742 288 K HN 0.208 nan 8.250 nan 0.000 0.458 289 Y N 1.386 121.388 120.300 -0.497 0.000 2.502 289 Y HA 0.052 4.602 4.550 -0.000 0.000 0.295 289 Y C 1.009 176.687 175.900 -0.370 0.000 1.193 289 Y CA -0.053 57.715 58.100 -0.554 0.000 1.295 289 Y CB -0.133 37.648 38.460 -1.132 0.000 1.059 289 Y HN 0.156 nan 8.280 nan 0.000 0.514 290 D N 0.261 120.527 120.400 -0.223 0.000 2.363 290 D HA -0.049 4.591 4.640 -0.000 0.000 0.226 290 D C 1.169 177.441 176.300 -0.047 0.000 1.020 290 D CA 0.600 54.535 54.000 -0.109 0.000 0.892 290 D CB 0.042 40.735 40.800 -0.178 0.000 0.900 290 D HN 0.342 nan 8.370 nan 0.000 0.531 291 M N -2.494 117.084 119.600 -0.036 0.000 2.475 291 M HA 0.293 4.773 4.480 -0.000 0.000 0.283 291 M C 1.193 177.514 176.300 0.035 0.000 1.165 291 M CA -0.284 55.019 55.300 0.006 0.000 0.976 291 M CB -0.636 31.975 32.600 0.018 0.000 1.428 291 M HN -0.186 nan 8.290 nan 0.000 0.495 292 C N 1.087 120.421 119.300 0.057 0.000 2.437 292 C HA 0.151 4.610 4.460 -0.000 0.000 0.283 292 C C 2.688 177.712 174.990 0.058 0.000 1.424 292 C CA 1.145 60.210 59.018 0.079 0.000 1.782 292 C CB -1.586 26.241 27.740 0.145 0.000 1.833 292 C HN 0.845 nan 8.230 nan 0.000 0.532 293 G N 0.462 109.292 108.800 0.050 0.000 2.402 293 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.216 293 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.216 293 G C 1.870 176.783 174.900 0.022 0.000 1.162 293 G CA 0.922 46.041 45.100 0.032 0.000 0.777 293 G HN 0.569 nan 8.290 nan 0.000 0.539 294 A N 1.135 123.973 122.820 0.029 0.000 1.930 294 A HA 0.335 4.655 4.320 -0.000 0.000 0.217 294 A C 2.792 180.423 177.584 0.078 0.000 1.175 294 A CA 2.083 54.136 52.037 0.027 0.000 0.627 294 A CB -0.722 18.309 19.000 0.051 0.000 0.815 294 A HN 0.725 nan 8.150 nan 0.000 0.443 295 A N 0.471 123.343 122.820 0.087 0.000 1.902 295 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 295 A C 2.490 180.105 177.584 0.052 0.000 1.181 295 A CA 2.325 54.404 52.037 0.069 0.000 0.623 295 A CB -1.002 17.998 19.000 -0.001 0.000 0.818 295 A HN 1.043 nan 8.150 nan 0.000 0.443 296 S N -0.474 115.246 115.700 0.033 0.000 2.447 296 S HA -0.080 4.389 4.470 -0.000 0.000 0.233 296 S C 1.666 176.284 174.600 0.029 0.000 1.006 296 S CA 1.311 59.526 58.200 0.024 0.000 0.957 296 S CB -0.676 62.527 63.200 0.004 0.000 0.773 296 S HN 0.244 nan 8.310 nan 0.000 0.507 297 V N 0.697 120.620 119.914 0.014 0.000 2.323 297 V HA -0.020 4.100 4.120 -0.000 0.000 0.244 297 V C 2.142 178.241 176.094 0.009 0.000 1.041 297 V CA 1.680 63.963 62.300 -0.027 0.000 1.025 297 V CB -1.080 30.688 31.823 -0.092 0.000 0.656 297 V HN 0.461 nan 8.190 nan 0.000 0.451 298 F N 1.454 121.396 119.950 -0.013 0.000 2.091 298 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 298 F C 2.418 178.319 175.800 0.169 0.000 1.103 298 F CA 1.745 59.775 58.000 0.050 0.000 1.228 298 F CB -0.716 38.167 39.000 -0.195 0.000 0.984 298 F HN 0.257 nan 8.300 nan 0.000 0.477 299 G N -1.525 107.452 108.800 0.295 0.000 2.408 299 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 299 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 299 G C 1.605 176.593 174.900 0.147 0.000 1.150 299 G CA 1.283 46.537 45.100 0.256 0.000 0.776 299 G HN 0.280 nan 8.290 nan 0.000 0.542 300 T N 1.099 115.703 114.554 0.082 0.000 2.812 300 T HA -0.076 4.274 4.350 -0.000 0.000 0.264 300 T C 2.231 176.919 174.700 -0.020 0.000 1.042 300 T CA 1.032 63.142 62.100 0.018 0.000 1.140 300 T CB -0.172 68.693 68.868 -0.004 0.000 0.870 300 T HN 0.137 nan 8.240 nan 0.000 0.445 301 L N 1.639 122.857 121.223 -0.009 0.000 2.017 301 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 301 L C 2.468 179.276 176.870 -0.103 0.000 1.073 301 L CA 1.783 56.573 54.840 -0.084 0.000 0.745 301 L CB -0.541 41.493 42.059 -0.041 0.000 0.894 301 L HN 0.003 nan 8.230 nan 0.000 0.432 302 R N 0.051 120.571 120.500 0.032 0.000 2.105 302 R HA -0.107 4.232 4.340 -0.000 0.000 0.239 302 R C 2.076 178.351 176.300 -0.042 0.000 1.135 302 R CA 1.718 57.816 56.100 -0.003 0.000 0.967 302 R CB -0.763 29.608 30.300 0.117 0.000 0.861 302 R HN 0.518 nan 8.270 nan 0.000 0.442 303 A N -0.106 122.703 122.820 -0.018 0.000 1.897 303 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 303 A C 2.306 179.842 177.584 -0.080 0.000 1.181 303 A CA 1.444 53.466 52.037 -0.025 0.000 0.620 303 A CB -0.976 18.022 19.000 -0.004 0.000 0.821 303 A HN 0.276 nan 8.150 nan 0.000 0.443 304 V N -0.003 119.819 119.914 -0.153 0.000 2.427 304 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 304 V C 2.241 178.143 176.094 -0.320 0.000 1.051 304 V CA 2.132 64.289 62.300 -0.239 0.000 1.048 304 V CB -0.533 31.104 31.823 -0.309 0.000 0.666 304 V HN 0.525 nan 8.190 nan 0.000 0.456 305 L N 0.352 121.342 121.223 -0.388 0.000 2.013 305 L HA -0.243 4.096 4.340 -0.000 0.000 0.212 305 L C 2.750 179.572 176.870 -0.081 0.000 1.073 305 L CA 2.561 57.201 54.840 -0.333 0.000 0.753 305 L CB -0.645 41.107 42.059 -0.511 0.000 0.890 305 L HN 0.560 nan 8.230 nan 0.000 0.432 306 E N 0.376 120.549 120.200 -0.044 0.000 2.110 306 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 306 E C 2.141 178.769 176.600 0.046 0.000 0.988 306 E CA 1.145 57.564 56.400 0.032 0.000 0.804 306 E CB -0.049 29.671 29.700 0.033 0.000 0.745 306 E HN 0.482 nan 8.360 nan 0.000 0.458 307 L N 0.162 121.399 121.223 0.023 0.000 2.558 307 L HA 0.056 4.396 4.340 -0.000 0.000 0.225 307 L C 0.678 177.589 176.870 0.068 0.000 1.128 307 L CA 0.291 55.165 54.840 0.056 0.000 0.868 307 L CB -0.063 42.016 42.059 0.033 0.000 1.006 307 L HN 0.183 nan 8.230 nan 0.000 0.454 308 Q N 0.401 120.244 119.800 0.072 0.000 2.457 308 Q HA -0.213 4.127 4.340 -0.000 0.000 0.283 308 Q C -0.116 175.992 176.000 0.180 0.000 1.234 308 Q CA 0.274 56.175 55.803 0.162 0.000 0.877 308 Q CB -1.711 27.113 28.738 0.144 0.000 1.250 308 Q HN 0.466 nan 8.270 nan 0.000 0.481 309 L N 1.644 122.939 121.223 0.120 0.000 2.514 309 L HA 0.025 4.365 4.340 -0.000 0.000 0.280 309 L C -1.177 175.806 176.870 0.188 0.000 1.223 309 L CA -0.860 54.039 54.840 0.100 0.000 0.864 309 L CB 0.017 42.081 42.059 0.010 0.000 1.118 309 L HN 0.009 nan 8.230 nan 0.000 0.494 310 P HA 0.112 nan 4.420 nan 0.000 0.212 310 P C -0.810 176.566 177.300 0.128 0.000 1.816 310 P CA 0.075 63.242 63.100 0.111 0.000 0.944 310 P CB -0.078 31.663 31.700 0.068 0.000 1.896 311 V N -1.515 118.520 119.914 0.202 0.000 3.078 311 V HA 0.527 4.647 4.120 -0.000 0.000 0.311 311 V C -0.571 175.671 176.094 0.246 0.000 1.138 311 V CA -1.477 60.966 62.300 0.238 0.000 1.007 311 V CB 2.145 34.138 31.823 0.284 0.000 1.045 311 V HN -0.017 nan 8.190 nan 0.000 0.432 312 N N 1.906 120.728 118.700 0.203 0.000 2.422 312 N HA 0.628 5.368 4.740 -0.000 0.000 0.264 312 N C -1.153 174.502 175.510 0.242 0.000 1.063 312 N CA -0.393 52.748 53.050 0.151 0.000 0.959 312 N CB 1.516 40.032 38.487 0.048 0.000 1.087 312 N HN 0.692 nan 8.380 nan 0.000 0.483 313 L N 3.663 125.037 121.223 0.251 0.000 2.406 313 L HA 0.490 4.830 4.340 -0.000 0.000 0.272 313 L C -1.419 175.493 176.870 0.071 0.000 0.980 313 L CA -0.731 54.232 54.840 0.206 0.000 0.831 313 L CB 1.712 43.894 42.059 0.204 0.000 1.253 313 L HN 0.196 nan 8.230 nan 0.000 0.406 314 V N 4.363 124.249 119.914 -0.046 0.000 2.384 314 V HA 0.440 4.560 4.120 -0.000 0.000 0.287 314 V C -0.376 175.622 176.094 -0.159 0.000 1.020 314 V CA -0.515 61.657 62.300 -0.214 0.000 0.850 314 V CB 1.377 32.828 31.823 -0.620 0.000 0.987 314 V HN 0.871 nan 8.190 nan 0.000 0.436 315 C N 6.482 125.706 119.300 -0.128 0.000 2.319 315 C HA 0.709 5.169 4.460 -0.000 0.000 0.335 315 C C 0.021 174.951 174.990 -0.100 0.000 1.274 315 C CA -0.795 58.157 59.018 -0.110 0.000 1.806 315 C CB 0.137 27.796 27.740 -0.136 0.000 2.329 315 C HN 0.733 nan 8.230 nan 0.000 0.524 316 L N 4.373 125.562 121.223 -0.057 0.000 2.372 316 L HA 0.532 4.872 4.340 -0.000 0.000 0.274 316 L C -0.709 176.152 176.870 -0.014 0.000 0.988 316 L CA -0.252 54.588 54.840 -0.000 0.000 0.833 316 L CB 0.784 42.899 42.059 0.094 0.000 1.236 316 L HN 0.515 nan 8.230 nan 0.000 0.410 317 L N 3.553 124.759 121.223 -0.029 0.000 2.276 317 L HA 0.617 4.957 4.340 -0.000 0.000 0.286 317 L C 0.472 177.383 176.870 0.068 0.000 1.024 317 L CA -0.541 54.286 54.840 -0.021 0.000 0.826 317 L CB 1.555 43.562 42.059 -0.087 0.000 1.211 317 L HN 0.667 nan 8.230 nan 0.000 0.422 318 A N 3.395 126.239 122.820 0.040 0.000 2.527 318 A HA 0.471 4.791 4.320 -0.000 0.000 0.313 318 A C -0.159 177.429 177.584 0.006 0.000 1.410 318 A CA -0.281 51.761 52.037 0.009 0.000 1.060 318 A CB -0.327 18.463 19.000 -0.350 0.000 1.137 318 A HN 0.777 nan 8.150 nan 0.000 0.542 319 C N 2.479 121.915 119.300 0.227 0.000 2.322 319 C HA 0.909 5.369 4.460 -0.000 0.000 0.324 319 C C 0.652 175.776 174.990 0.223 0.000 1.284 319 C CA -0.070 59.048 59.018 0.168 0.000 1.606 319 C CB 0.147 27.987 27.740 0.167 0.000 2.251 319 C HN 1.081 nan 8.230 nan 0.000 0.502 320 A N 2.390 125.286 122.820 0.126 0.000 2.610 320 A HA 0.784 5.104 4.320 -0.000 0.000 0.291 320 A C -1.473 176.153 177.584 0.069 0.000 1.086 320 A CA -0.456 51.650 52.037 0.114 0.000 0.677 320 A CB 1.109 20.183 19.000 0.122 0.000 1.278 320 A HN 0.791 nan 8.150 nan 0.000 0.414 321 E N 0.841 121.077 120.200 0.059 0.000 2.145 321 E HA 0.293 4.643 4.350 -0.000 0.000 0.270 321 E C -1.149 175.474 176.600 0.039 0.000 0.906 321 E CA -0.641 55.798 56.400 0.064 0.000 0.761 321 E CB 0.870 30.615 29.700 0.075 0.000 1.116 321 E HN 0.526 nan 8.360 nan 0.000 0.408 322 N N 5.278 123.999 118.700 0.034 0.000 2.469 322 N HA 0.159 4.899 4.740 -0.000 0.000 0.239 322 N C -1.146 174.391 175.510 0.044 0.000 1.053 322 N CA 0.041 53.098 53.050 0.013 0.000 0.937 322 N CB 0.295 38.765 38.487 -0.028 0.000 1.163 322 N HN 0.455 nan 8.380 nan 0.000 0.509 323 M N 3.190 122.810 119.600 0.033 0.000 2.591 323 M HA 0.535 5.014 4.480 -0.000 0.000 0.306 323 M C -2.436 173.876 176.300 0.020 0.000 1.190 323 M CA -2.100 53.224 55.300 0.040 0.000 0.889 323 M CB 1.819 34.436 32.600 0.028 0.000 1.728 323 M HN 0.253 nan 8.290 nan 0.000 0.458 324 P HA 0.597 nan 4.420 nan 0.000 0.287 324 P C -1.070 176.234 177.300 0.007 0.000 1.270 324 P CA -0.280 62.827 63.100 0.012 0.000 0.844 324 P CB 1.655 33.364 31.700 0.014 0.000 1.068 325 S N -0.920 114.783 115.700 0.005 0.000 2.688 325 S HA 0.379 4.848 4.470 -0.000 0.000 0.266 325 S C 0.971 175.573 174.600 0.004 0.000 1.061 325 S CA -0.192 58.009 58.200 0.002 0.000 0.844 325 S CB -0.047 63.152 63.200 -0.002 0.000 1.103 325 S HN 0.463 nan 8.310 nan 0.000 0.471 326 G N -0.158 108.644 108.800 0.004 0.000 2.535 326 G HA2 0.335 4.295 3.960 -0.000 0.000 0.218 326 G HA3 0.335 4.295 3.960 -0.000 0.000 0.218 326 G C 0.888 175.795 174.900 0.011 0.000 1.122 326 G CA 0.641 45.745 45.100 0.006 0.000 0.769 326 G HN 1.579 nan 8.290 nan 0.000 0.549 327 G N -0.694 108.114 108.800 0.012 0.000 3.839 327 G HA2 0.530 4.490 3.960 -0.000 0.000 0.286 327 G HA3 0.530 4.490 3.960 -0.000 0.000 0.286 327 G C 0.470 175.382 174.900 0.022 0.000 1.005 327 G CA 0.586 45.698 45.100 0.020 0.000 0.824 327 G HN 0.555 nan 8.290 nan 0.000 0.489 328 A N 0.331 123.159 122.820 0.014 0.000 2.386 328 A HA 0.578 4.898 4.320 -0.000 0.000 0.248 328 A C 0.841 178.439 177.584 0.022 0.000 1.082 328 A CA 0.101 52.146 52.037 0.013 0.000 0.789 328 A CB 0.088 19.093 19.000 0.008 0.000 1.025 328 A HN 0.157 nan 8.150 nan 0.000 0.490 329 T N 1.993 116.562 114.554 0.026 0.000 2.934 329 T HA 0.216 4.566 4.350 -0.000 0.000 0.306 329 T C 0.468 175.182 174.700 0.022 0.000 1.042 329 T CA 0.748 62.868 62.100 0.033 0.000 1.145 329 T CB -0.115 68.775 68.868 0.037 0.000 0.982 329 T HN 0.593 nan 8.240 nan 0.000 0.544 330 R N 3.781 124.295 120.500 0.023 0.000 2.486 330 R HA 0.389 4.729 4.340 -0.000 0.000 0.286 330 R C -2.606 173.705 176.300 0.019 0.000 0.999 330 R CA -2.109 54.002 56.100 0.017 0.000 0.993 330 R CB 0.331 30.638 30.300 0.013 0.000 1.084 330 R HN 0.332 nan 8.270 nan 0.000 0.487 331 P HA 0.002 nan 4.420 nan 0.000 0.263 331 P C 0.526 177.840 177.300 0.023 0.000 1.195 331 P CA 0.922 64.034 63.100 0.020 0.000 0.762 331 P CB 0.686 32.397 31.700 0.018 0.000 0.799 332 G N 2.427 111.247 108.800 0.033 0.000 2.232 332 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.226 332 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.226 332 G C -0.016 174.892 174.900 0.013 0.000 0.996 332 G CA -0.378 44.737 45.100 0.025 0.000 0.626 332 G HN 0.489 nan 8.290 nan 0.000 0.509 333 D N 0.818 121.231 120.400 0.022 0.000 2.525 333 D HA 0.385 5.025 4.640 -0.000 0.000 0.235 333 D C 0.812 177.139 176.300 0.046 0.000 1.137 333 D CA 0.626 54.643 54.000 0.027 0.000 0.868 333 D CB 0.555 41.379 40.800 0.040 0.000 1.180 333 D HN 0.434 nan 8.370 nan 0.000 0.465 334 I N 2.329 122.924 120.570 0.041 0.000 2.378 334 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 334 I C 0.161 176.319 176.117 0.069 0.000 0.992 334 I CA -0.950 60.389 61.300 0.066 0.000 1.154 334 I CB 1.515 39.550 38.000 0.059 0.000 1.315 334 I HN 0.084 nan 8.210 nan 0.000 0.448 335 V N 1.552 121.521 119.914 0.093 0.000 3.046 335 V HA 0.667 4.787 4.120 -0.000 0.000 0.316 335 V C -0.221 175.934 176.094 0.102 0.000 1.104 335 V CA -0.477 61.879 62.300 0.094 0.000 1.006 335 V CB 1.901 33.792 31.823 0.114 0.000 1.058 335 V HN 0.657 nan 8.190 nan 0.000 0.440 336 T N 2.458 117.065 114.554 0.089 0.000 2.756 336 T HA 0.526 4.875 4.350 -0.000 0.000 0.290 336 T C 0.335 175.103 174.700 0.114 0.000 0.985 336 T CA 0.135 62.289 62.100 0.091 0.000 0.955 336 T CB 0.737 69.640 68.868 0.059 0.000 0.930 336 T HN 1.248 nan 8.240 nan 0.000 0.451 337 T N 1.434 116.080 114.554 0.152 0.000 2.860 337 T HA 0.211 4.561 4.350 -0.000 0.000 0.299 337 T C 1.637 176.433 174.700 0.160 0.000 1.045 337 T CA -0.731 61.483 62.100 0.190 0.000 1.071 337 T CB 0.580 69.639 68.868 0.318 0.000 0.985 337 T HN 0.602 nan 8.240 nan 0.000 0.537 338 M N 1.700 121.402 119.600 0.170 0.000 2.149 338 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 338 M C 2.213 178.590 176.300 0.128 0.000 1.064 338 M CA 2.268 57.655 55.300 0.146 0.000 1.102 338 M CB -0.488 32.217 32.600 0.175 0.000 1.369 338 M HN 0.918 nan 8.290 nan 0.000 0.408 339 S N -0.920 114.879 115.700 0.165 0.000 2.507 339 S HA 0.088 4.558 4.470 -0.000 0.000 0.235 339 S C 1.550 176.174 174.600 0.040 0.000 0.988 339 S CA 0.831 59.091 58.200 0.099 0.000 0.944 339 S CB -0.513 62.752 63.200 0.108 0.000 0.762 339 S HN 0.821 nan 8.310 nan 0.000 0.526 340 G N 0.160 108.996 108.800 0.060 0.000 2.195 340 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 340 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 340 G C -0.109 174.799 174.900 0.014 0.000 0.984 340 G CA 0.106 45.223 45.100 0.029 0.000 0.633 340 G HN 0.612 nan 8.290 nan 0.000 0.525 341 Q N 1.409 121.212 119.800 0.005 0.000 2.327 341 Q HA 0.495 4.835 4.340 -0.000 0.000 0.254 341 Q C 0.668 176.707 176.000 0.065 0.000 0.952 341 Q CA 0.588 56.376 55.803 -0.025 0.000 0.884 341 Q CB 0.881 29.515 28.738 -0.174 0.000 1.224 341 Q HN 0.510 nan 8.270 nan 0.000 0.422 342 T N -1.722 112.866 114.554 0.057 0.000 2.907 342 T HA 0.626 4.976 4.350 -0.000 0.000 0.284 342 T C -0.295 174.483 174.700 0.131 0.000 1.004 342 T CA -0.772 61.385 62.100 0.096 0.000 1.063 342 T CB 1.115 70.030 68.868 0.079 0.000 0.992 342 T HN 0.271 nan 8.240 nan 0.000 0.483 343 V N 2.180 122.195 119.914 0.169 0.000 2.569 343 V HA 0.403 4.523 4.120 -0.000 0.000 0.301 343 V C -0.166 176.035 176.094 0.179 0.000 1.044 343 V CA -0.936 61.497 62.300 0.221 0.000 0.874 343 V CB 1.657 33.673 31.823 0.322 0.000 1.002 343 V HN 1.076 nan 8.190 nan 0.000 0.424 344 E N 4.719 125.024 120.200 0.176 0.000 2.194 344 E HA 0.396 4.746 4.350 -0.000 0.000 0.284 344 E C -0.754 175.922 176.600 0.127 0.000 1.035 344 E CA -0.494 55.995 56.400 0.149 0.000 0.836 344 E CB 0.872 30.681 29.700 0.180 0.000 1.070 344 E HN 0.655 nan 8.360 nan 0.000 0.401 345 I N 7.091 127.717 120.570 0.092 0.000 2.256 345 I HA 0.027 4.197 4.170 -0.000 0.000 0.294 345 I C 0.840 176.983 176.117 0.045 0.000 1.127 345 I CA -0.068 61.266 61.300 0.057 0.000 1.247 345 I CB 0.383 38.409 38.000 0.043 0.000 1.460 345 I HN 0.659 nan 8.210 nan 0.000 0.511 346 L N 3.883 125.133 121.223 0.045 0.000 2.270 346 L HA 0.070 4.410 4.340 -0.000 0.000 0.210 346 L C 0.718 177.602 176.870 0.023 0.000 1.104 346 L CA 0.728 55.596 54.840 0.046 0.000 0.804 346 L CB -0.202 41.891 42.059 0.058 0.000 0.937 346 L HN 0.555 nan 8.230 nan 0.000 0.450 347 N N -1.109 117.593 118.700 0.003 0.000 2.410 347 N HA 0.091 4.830 4.740 -0.000 0.000 0.287 347 N C 0.652 176.147 175.510 -0.025 0.000 1.044 347 N CA -0.137 52.907 53.050 -0.010 0.000 0.881 347 N CB 1.439 39.915 38.487 -0.018 0.000 1.405 347 N HN -0.037 nan 8.380 nan 0.000 0.490 348 T N -0.895 113.648 114.554 -0.018 0.000 3.118 348 T HA -0.023 4.327 4.350 -0.000 0.000 0.260 348 T C 0.849 175.524 174.700 -0.040 0.000 1.139 348 T CA 0.637 62.723 62.100 -0.024 0.000 1.085 348 T CB -0.000 68.862 68.868 -0.010 0.000 0.934 348 T HN 0.366 nan 8.240 nan 0.000 0.518 349 D N 1.332 121.706 120.400 -0.043 0.000 2.339 349 D HA 0.289 4.929 4.640 -0.000 0.000 0.217 349 D C 0.942 177.200 176.300 -0.071 0.000 1.050 349 D CA -0.039 53.929 54.000 -0.054 0.000 0.856 349 D CB -0.160 40.615 40.800 -0.042 0.000 0.922 349 D HN 0.516 nan 8.370 nan 0.000 0.518 350 A N 1.107 123.876 122.820 -0.086 0.000 3.245 350 A HA 0.205 4.525 4.320 -0.000 0.000 0.282 350 A C 1.207 178.691 177.584 -0.167 0.000 1.417 350 A CA -0.391 51.569 52.037 -0.130 0.000 1.149 350 A CB -0.149 18.760 19.000 -0.151 0.000 1.155 350 A HN 0.190 nan 8.150 nan 0.000 0.602 351 E N 0.266 120.386 120.200 -0.133 0.000 2.389 351 E HA 0.019 4.369 4.350 -0.000 0.000 0.199 351 E C 1.451 177.959 176.600 -0.154 0.000 0.978 351 E CA 1.032 57.353 56.400 -0.131 0.000 0.912 351 E CB -0.815 28.829 29.700 -0.092 0.000 0.907 351 E HN 0.371 nan 8.360 nan 0.000 0.494 352 G N 3.206 111.922 108.800 -0.140 0.000 2.446 352 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.217 352 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.217 352 G C 1.863 176.669 174.900 -0.158 0.000 1.168 352 G CA 1.582 46.604 45.100 -0.131 0.000 0.771 352 G HN 0.453 nan 8.290 nan 0.000 0.551 353 R N 0.322 120.706 120.500 -0.195 0.000 2.193 353 R HA 0.107 4.447 4.340 -0.000 0.000 0.229 353 R C 2.197 178.376 176.300 -0.200 0.000 1.110 353 R CA 1.073 57.040 56.100 -0.222 0.000 0.988 353 R CB -0.521 29.517 30.300 -0.436 0.000 0.871 353 R HN 0.416 nan 8.270 nan 0.000 0.458 354 L N 1.351 122.442 121.223 -0.219 0.000 2.068 354 L HA -0.063 4.277 4.340 -0.000 0.000 0.204 354 L C 2.728 179.497 176.870 -0.170 0.000 1.076 354 L CA 0.892 55.651 54.840 -0.135 0.000 0.753 354 L CB -0.469 41.531 42.059 -0.098 0.000 0.910 354 L HN 0.141 nan 8.230 nan 0.000 0.439 355 V N -2.195 117.541 119.914 -0.297 0.000 2.427 355 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 355 V C 2.230 178.029 176.094 -0.491 0.000 1.051 355 V CA 1.285 63.196 62.300 -0.649 0.000 1.048 355 V CB -0.643 30.626 31.823 -0.923 0.000 0.666 355 V HN 0.323 nan 8.190 nan 0.000 0.456 356 L N 0.841 121.896 121.223 -0.280 0.000 2.083 356 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 356 L C 2.996 179.783 176.870 -0.137 0.000 1.083 356 L CA 1.909 56.659 54.840 -0.151 0.000 0.752 356 L CB -0.676 41.344 42.059 -0.065 0.000 0.899 356 L HN 0.745 nan 8.230 nan 0.000 0.433 357 C N -1.813 117.336 119.300 -0.250 0.000 2.457 357 C HA -0.071 4.389 4.460 -0.000 0.000 0.278 357 C C 2.188 176.983 174.990 -0.326 0.000 1.309 357 C CA 0.201 58.878 59.018 -0.568 0.000 1.735 357 C CB -0.716 26.255 27.740 -1.282 0.000 1.992 357 C HN 0.454 nan 8.230 nan 0.000 0.493 358 D N 0.991 121.334 120.400 -0.097 0.000 2.183 358 D HA -0.030 4.610 4.640 -0.000 0.000 0.203 358 D C 2.324 178.754 176.300 0.217 0.000 0.969 358 D CA 1.729 55.800 54.000 0.119 0.000 0.842 358 D CB -0.366 40.579 40.800 0.241 0.000 0.957 358 D HN 0.559 nan 8.370 nan 0.000 0.484 359 T N 1.007 115.669 114.554 0.179 0.000 2.857 359 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 359 T C 2.224 177.095 174.700 0.284 0.000 1.048 359 T CA 0.390 62.633 62.100 0.239 0.000 1.139 359 T CB -0.022 68.927 68.868 0.135 0.000 0.874 359 T HN 0.118 nan 8.240 nan 0.000 0.455 360 L N 0.737 122.086 121.223 0.209 0.000 2.056 360 L HA -0.095 4.244 4.340 -0.000 0.000 0.207 360 L C 2.920 179.990 176.870 0.333 0.000 1.078 360 L CA 1.134 56.140 54.840 0.276 0.000 0.749 360 L CB -1.036 41.129 42.059 0.177 0.000 0.901 360 L HN 0.258 nan 8.230 nan 0.000 0.433 361 T N -1.256 113.458 114.554 0.266 0.000 2.708 361 T HA -0.277 4.073 4.350 -0.000 0.000 0.266 361 T C 1.719 176.572 174.700 0.255 0.000 1.037 361 T CA 1.472 63.717 62.100 0.242 0.000 1.146 361 T CB -0.432 68.571 68.868 0.226 0.000 0.865 361 T HN 0.297 nan 8.240 nan 0.000 0.435 362 Y N 1.837 122.242 120.300 0.176 0.000 2.256 362 Y HA -0.089 4.461 4.550 -0.000 0.000 0.288 362 Y C 2.398 178.424 175.900 0.210 0.000 1.155 362 Y CA 0.873 59.072 58.100 0.165 0.000 1.203 362 Y CB -0.388 38.185 38.460 0.188 0.000 0.980 362 Y HN 0.205 nan 8.280 nan 0.000 0.530 363 A N -0.308 122.749 122.820 0.394 0.000 2.168 363 A HA -0.103 4.216 4.320 -0.000 0.000 0.215 363 A C 1.959 179.728 177.584 0.309 0.000 1.152 363 A CA 1.198 53.489 52.037 0.423 0.000 0.716 363 A CB -0.556 18.611 19.000 0.278 0.000 0.794 363 A HN 0.623 nan 8.150 nan 0.000 0.465 364 E N 0.145 120.494 120.200 0.249 0.000 2.110 364 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 364 E C 2.128 178.729 176.600 0.001 0.000 0.988 364 E CA 1.293 57.817 56.400 0.206 0.000 0.804 364 E CB -0.215 29.567 29.700 0.138 0.000 0.745 364 E HN 0.798 nan 8.360 nan 0.000 0.458 365 R N 0.330 120.684 120.500 -0.243 0.000 2.303 365 R HA -0.135 4.205 4.340 -0.000 0.000 0.225 365 R C 1.119 177.132 176.300 -0.477 0.000 1.114 365 R CA 1.195 57.026 56.100 -0.448 0.000 1.007 365 R CB -0.338 29.524 30.300 -0.730 0.000 0.861 365 R HN 0.142 nan 8.270 nan 0.000 0.471 366 F N 1.066 120.987 119.950 -0.048 0.000 2.776 366 F HA 0.296 4.823 4.527 -0.000 0.000 0.300 366 F C 0.278 176.062 175.800 -0.026 0.000 1.116 366 F CA -0.257 57.722 58.000 -0.034 0.000 1.375 366 F CB 0.155 39.139 39.000 -0.026 0.000 1.109 366 F HN -0.140 nan 8.300 nan 0.000 0.585 367 K N 0.727 121.196 120.400 0.116 0.000 3.689 367 K HA -0.180 4.140 4.320 -0.000 0.000 0.276 367 K C -2.679 173.960 176.600 0.065 0.000 0.932 367 K CA -0.131 56.209 56.287 0.087 0.000 0.758 367 K CB -1.476 31.050 32.500 0.044 0.000 1.500 367 K HN 0.173 nan 8.250 nan 0.000 0.448 368 P HA -0.051 nan 4.420 nan 0.000 0.276 368 P C 0.348 177.619 177.300 -0.048 0.000 1.244 368 P CA -0.197 62.879 63.100 -0.041 0.000 0.801 368 P CB 0.731 32.363 31.700 -0.114 0.000 1.006 369 Q N 0.960 120.667 119.800 -0.156 0.000 2.331 369 Q HA 0.280 4.620 4.340 -0.000 0.000 0.203 369 Q C 0.051 176.053 176.000 0.003 0.000 0.944 369 Q CA 0.339 56.076 55.803 -0.110 0.000 0.892 369 Q CB 0.197 28.800 28.738 -0.226 0.000 0.983 369 Q HN 0.429 nan 8.270 nan 0.000 0.482 370 A N 0.451 123.278 122.820 0.011 0.000 2.547 370 A HA 0.589 4.909 4.320 -0.000 0.000 0.297 370 A C -1.455 176.176 177.584 0.078 0.000 1.056 370 A CA -0.641 51.487 52.037 0.152 0.000 0.688 370 A CB 2.305 21.526 19.000 0.370 0.000 1.282 370 A HN 0.052 nan 8.150 nan 0.000 0.400 371 V N 2.908 122.852 119.914 0.049 0.000 2.443 371 V HA 0.489 4.609 4.120 -0.000 0.000 0.293 371 V C -0.713 175.455 176.094 0.124 0.000 1.021 371 V CA -0.128 62.179 62.300 0.011 0.000 0.848 371 V CB 1.249 32.915 31.823 -0.262 0.000 0.998 371 V HN 0.703 nan 8.190 nan 0.000 0.424 372 I N 5.138 125.745 120.570 0.061 0.000 2.406 372 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 372 I C -0.621 175.531 176.117 0.060 0.000 0.999 372 I CA -0.476 60.808 61.300 -0.027 0.000 1.124 372 I CB 1.910 39.827 38.000 -0.137 0.000 1.289 372 I HN 0.685 nan 8.210 nan 0.000 0.441 373 D N 7.015 127.489 120.400 0.124 0.000 2.163 373 D HA 0.586 5.226 4.640 -0.000 0.000 0.248 373 D C -0.695 175.672 176.300 0.111 0.000 1.035 373 D CA -0.401 53.714 54.000 0.192 0.000 0.872 373 D CB 1.884 42.903 40.800 0.364 0.000 1.183 373 D HN 0.179 nan 8.370 nan 0.000 0.445 374 I N 0.806 121.421 120.570 0.076 0.000 2.447 374 I HA 0.644 4.814 4.170 -0.000 0.000 0.287 374 I C -0.419 175.729 176.117 0.051 0.000 1.023 374 I CA -0.527 60.783 61.300 0.017 0.000 1.083 374 I CB 1.809 39.798 38.000 -0.019 0.000 1.245 374 I HN 0.684 nan 8.210 nan 0.000 0.434 375 A N 2.794 125.646 122.820 0.053 0.000 2.549 375 A HA 0.741 5.061 4.320 -0.000 0.000 0.297 375 A C -0.237 177.386 177.584 0.065 0.000 1.061 375 A CA -0.668 51.418 52.037 0.081 0.000 0.690 375 A CB 1.292 20.383 19.000 0.152 0.000 1.287 375 A HN 0.652 nan 8.150 nan 0.000 0.402 376 T N 1.193 115.795 114.554 0.080 0.000 3.945 376 T HA 0.338 4.688 4.350 -0.000 0.000 0.306 376 T C 0.677 175.428 174.700 0.085 0.000 1.475 376 T CA -0.133 62.035 62.100 0.112 0.000 1.177 376 T CB -0.238 68.758 68.868 0.213 0.000 1.272 376 T HN 0.465 nan 8.240 nan 0.000 0.930 377 L N 2.661 123.929 121.223 0.075 0.000 2.145 377 L HA 0.300 4.640 4.340 -0.000 0.000 0.201 377 L C 1.186 178.078 176.870 0.037 0.000 1.075 377 L CA 1.282 56.163 54.840 0.069 0.000 0.773 377 L CB -0.033 42.115 42.059 0.148 0.000 0.936 377 L HN 0.820 nan 8.230 nan 0.000 0.451 378 T N -4.774 109.800 114.554 0.032 0.000 2.893 378 T HA 0.510 4.860 4.350 -0.000 0.000 0.293 378 T C 0.937 175.635 174.700 -0.003 0.000 1.027 378 T CA -0.332 61.775 62.100 0.011 0.000 0.988 378 T CB 1.393 70.268 68.868 0.011 0.000 1.043 378 T HN 0.127 nan 8.240 nan 0.000 0.461 379 G N 1.049 109.846 108.800 -0.004 0.000 2.450 379 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.220 379 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.220 379 G C 1.610 176.493 174.900 -0.029 0.000 1.130 379 G CA 0.734 45.825 45.100 -0.014 0.000 0.760 379 G HN 1.160 nan 8.290 nan 0.000 0.557 380 A N -0.298 122.510 122.820 -0.020 0.000 2.019 380 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 380 A C 2.509 180.071 177.584 -0.037 0.000 1.164 380 A CA 1.672 53.695 52.037 -0.024 0.000 0.644 380 A CB -1.025 17.966 19.000 -0.014 0.000 0.805 380 A HN 0.477 nan 8.150 nan 0.000 0.449 381 C N -0.478 118.797 119.300 -0.041 0.000 2.440 381 C HA -0.017 4.443 4.460 -0.000 0.000 0.278 381 C C 2.549 177.488 174.990 -0.085 0.000 1.295 381 C CA 0.888 59.871 59.018 -0.058 0.000 1.738 381 C CB -1.409 26.296 27.740 -0.058 0.000 1.987 381 C HN 0.614 nan 8.230 nan 0.000 0.492 382 I N 0.351 120.861 120.570 -0.100 0.000 2.179 382 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 382 I C 2.482 178.539 176.117 -0.100 0.000 1.088 382 I CA 1.492 62.715 61.300 -0.130 0.000 1.357 382 I CB -0.795 37.115 38.000 -0.149 0.000 1.051 382 I HN 0.120 nan 8.210 nan 0.000 0.409 383 V N 1.259 121.130 119.914 -0.073 0.000 2.332 383 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 383 V C 2.706 178.764 176.094 -0.059 0.000 1.055 383 V CA 2.179 64.445 62.300 -0.057 0.000 1.038 383 V CB -1.065 30.735 31.823 -0.039 0.000 0.651 383 V HN 0.528 nan 8.190 nan 0.000 0.450 384 A N -1.096 121.688 122.820 -0.060 0.000 1.874 384 A HA 0.060 4.380 4.320 -0.000 0.000 0.214 384 A C 1.950 179.485 177.584 -0.082 0.000 1.189 384 A CA 1.467 53.468 52.037 -0.060 0.000 0.615 384 A CB -0.159 18.812 19.000 -0.047 0.000 0.830 384 A HN 0.491 nan 8.150 nan 0.000 0.443 385 L N -2.011 119.159 121.223 -0.089 0.000 3.135 385 L HA 0.350 4.690 4.340 -0.000 0.000 0.279 385 L C 1.256 178.064 176.870 -0.103 0.000 1.200 385 L CA 0.067 54.845 54.840 -0.104 0.000 1.016 385 L CB 0.306 42.315 42.059 -0.084 0.000 1.391 385 L HN 0.652 nan 8.230 nan 0.000 0.588 386 G N 0.678 109.410 108.800 -0.113 0.000 2.574 386 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.282 386 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.282 386 G C 0.682 175.452 174.900 -0.217 0.000 1.257 386 G CA 0.363 45.379 45.100 -0.141 0.000 0.956 386 G HN 0.145 nan 8.290 nan 0.000 0.560 387 S N -0.214 115.291 115.700 -0.325 0.000 2.503 387 S HA 0.136 4.606 4.470 -0.000 0.000 0.217 387 S C 1.524 175.816 174.600 -0.514 0.000 0.999 387 S CA 1.104 59.002 58.200 -0.503 0.000 0.914 387 S CB -0.131 62.658 63.200 -0.686 0.000 0.782 387 S HN 0.587 nan 8.310 nan 0.000 0.520 388 H N 0.276 119.267 119.070 -0.132 0.000 2.639 388 H HA 0.262 4.818 4.556 -0.000 0.000 0.267 388 H C -0.031 175.243 175.328 -0.090 0.000 0.958 388 H CA 0.631 56.615 56.048 -0.107 0.000 1.221 388 H CB 0.518 30.221 29.762 -0.098 0.000 1.446 388 H HN 0.185 nan 8.280 nan 0.000 0.512 389 T N 1.460 116.015 114.554 0.002 0.000 2.879 389 T HA 0.219 4.569 4.350 -0.000 0.000 0.290 389 T C 0.034 174.717 174.700 -0.029 0.000 0.993 389 T CA -0.563 61.539 62.100 0.003 0.000 0.975 389 T CB 2.538 71.409 68.868 0.005 0.000 0.981 389 T HN -0.058 nan 8.240 nan 0.000 0.439 390 T N 2.877 117.415 114.554 -0.026 0.000 2.870 390 T HA 0.391 4.741 4.350 -0.000 0.000 0.300 390 T C 1.062 175.735 174.700 -0.044 0.000 0.989 390 T CA -0.325 61.739 62.100 -0.060 0.000 1.139 390 T CB 0.526 69.348 68.868 -0.077 0.000 0.920 390 T HN 0.740 nan 8.240 nan 0.000 0.537 391 G N 2.246 110.997 108.800 -0.082 0.000 2.378 391 G HA2 0.463 4.423 3.960 -0.000 0.000 0.255 391 G HA3 0.463 4.423 3.960 -0.000 0.000 0.255 391 G C -0.891 173.913 174.900 -0.160 0.000 1.270 391 G CA -0.287 44.763 45.100 -0.084 0.000 0.876 391 G HN 0.581 nan 8.290 nan 0.000 0.521 392 L N 2.682 123.827 121.223 -0.131 0.000 2.436 392 L HA 0.830 5.170 4.340 -0.000 0.000 0.268 392 L C -0.489 176.273 176.870 -0.180 0.000 0.974 392 L CA -0.722 53.999 54.840 -0.199 0.000 0.826 392 L CB 1.932 43.883 42.059 -0.180 0.000 1.291 392 L HN 0.595 nan 8.230 nan 0.000 0.406 393 M N 3.363 122.832 119.600 -0.218 0.000 2.593 393 M HA 0.924 5.404 4.480 -0.000 0.000 0.290 393 M C -0.192 175.887 176.300 -0.368 0.000 1.244 393 M CA -0.391 54.800 55.300 -0.183 0.000 0.857 393 M CB 2.614 35.191 32.600 -0.038 0.000 1.738 393 M HN 0.724 nan 8.290 nan 0.000 0.461 394 G N 0.309 108.939 108.800 -0.282 0.000 2.506 394 G HA2 0.367 4.326 3.960 -0.000 0.000 0.292 394 G HA3 0.367 4.326 3.960 -0.000 0.000 0.292 394 G C -1.087 173.850 174.900 0.062 0.000 1.425 394 G CA -0.681 44.202 45.100 -0.361 0.000 0.788 394 G HN 0.789 nan 8.290 nan 0.000 0.490 395 N N -0.933 117.948 118.700 0.301 0.000 2.236 395 N HA 0.123 4.863 4.740 -0.000 0.000 0.196 395 N C -0.016 175.610 175.510 0.194 0.000 1.114 395 N CA -0.300 52.943 53.050 0.323 0.000 0.859 395 N CB 0.594 39.335 38.487 0.423 0.000 0.982 395 N HN 0.360 nan 8.380 nan 0.000 0.493 396 N N -0.165 118.616 118.700 0.135 0.000 2.480 396 N HA 0.226 4.966 4.740 -0.000 0.000 0.289 396 N C -0.527 175.010 175.510 0.046 0.000 1.073 396 N CA -0.412 52.697 53.050 0.097 0.000 0.885 396 N CB 1.560 40.118 38.487 0.119 0.000 1.421 396 N HN -0.207 nan 8.380 nan 0.000 0.503 397 D N 1.550 121.974 120.400 0.039 0.000 2.097 397 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 397 D C 0.639 176.942 176.300 0.005 0.000 0.989 397 D CA 1.325 55.332 54.000 0.011 0.000 0.827 397 D CB 0.202 41.012 40.800 0.018 0.000 0.966 397 D HN 0.621 nan 8.370 nan 0.000 0.456 398 D N 0.171 120.587 120.400 0.027 0.000 2.097 398 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 398 D C 2.150 178.476 176.300 0.043 0.000 0.989 398 D CA 0.300 54.321 54.000 0.035 0.000 0.827 398 D CB -0.412 40.419 40.800 0.052 0.000 0.966 398 D HN 0.111 nan 8.370 nan 0.000 0.456 399 L N 1.097 122.352 121.223 0.053 0.000 2.012 399 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 399 L C 2.425 179.274 176.870 -0.035 0.000 1.073 399 L CA 1.576 56.444 54.840 0.047 0.000 0.748 399 L CB -0.831 41.261 42.059 0.056 0.000 0.891 399 L HN 0.090 nan 8.230 nan 0.000 0.431 400 V N -2.323 117.551 119.914 -0.066 0.000 2.358 400 V HA -0.035 4.085 4.120 -0.000 0.000 0.246 400 V C 2.426 178.461 176.094 -0.097 0.000 1.047 400 V CA 1.594 63.822 62.300 -0.119 0.000 1.035 400 V CB -2.163 29.573 31.823 -0.145 0.000 0.658 400 V HN 0.439 nan 8.190 nan 0.000 0.452 401 G N -0.429 108.333 108.800 -0.063 0.000 2.469 401 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 401 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 401 G C 1.554 176.442 174.900 -0.021 0.000 1.150 401 G CA 1.207 46.277 45.100 -0.050 0.000 0.763 401 G HN 0.619 nan 8.290 nan 0.000 0.561 402 Q N -0.415 119.397 119.800 0.020 0.000 2.084 402 Q HA 0.064 4.404 4.340 -0.000 0.000 0.202 402 Q C 2.714 178.759 176.000 0.075 0.000 0.978 402 Q CA 0.844 56.698 55.803 0.086 0.000 0.844 402 Q CB -0.205 28.655 28.738 0.203 0.000 0.898 402 Q HN 0.461 nan 8.270 nan 0.000 0.426 403 L N -0.140 121.060 121.223 -0.038 0.000 2.056 403 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 403 L C 2.147 178.973 176.870 -0.073 0.000 1.078 403 L CA 0.383 55.151 54.840 -0.120 0.000 0.749 403 L CB -0.324 41.580 42.059 -0.259 0.000 0.901 403 L HN 0.232 nan 8.230 nan 0.000 0.433 404 L N 0.150 121.324 121.223 -0.082 0.000 1.989 404 L HA -0.289 4.051 4.340 -0.000 0.000 0.211 404 L C 2.158 179.008 176.870 -0.032 0.000 1.071 404 L CA 1.969 56.764 54.840 -0.075 0.000 0.749 404 L CB -0.828 41.157 42.059 -0.122 0.000 0.890 404 L HN 0.246 nan 8.230 nan 0.000 0.431 405 D N -1.393 118.997 120.400 -0.016 0.000 2.178 405 D HA -0.126 4.514 4.640 -0.000 0.000 0.202 405 D C 2.153 178.468 176.300 0.026 0.000 0.974 405 D CA 1.050 55.054 54.000 0.006 0.000 0.841 405 D CB 0.123 40.929 40.800 0.011 0.000 0.953 405 D HN 0.318 nan 8.370 nan 0.000 0.478 406 A N -0.006 122.838 122.820 0.040 0.000 1.902 406 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 406 A C 2.343 179.948 177.584 0.034 0.000 1.181 406 A CA 1.922 53.990 52.037 0.053 0.000 0.623 406 A CB -1.255 17.804 19.000 0.099 0.000 0.818 406 A HN 0.352 nan 8.150 nan 0.000 0.443 407 G N -0.321 108.489 108.800 0.016 0.000 2.418 407 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 407 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 407 G C 1.666 176.582 174.900 0.028 0.000 1.158 407 G CA 1.043 46.151 45.100 0.014 0.000 0.771 407 G HN 0.575 nan 8.290 nan 0.000 0.545 408 K N 0.065 120.483 120.400 0.030 0.000 2.057 408 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 408 K C 2.711 179.335 176.600 0.040 0.000 1.049 408 K CA 0.920 57.230 56.287 0.037 0.000 0.931 408 K CB -0.161 32.359 32.500 0.033 0.000 0.714 408 K HN 0.173 nan 8.250 nan 0.000 0.440 409 R N 0.323 120.849 120.500 0.044 0.000 2.090 409 R HA -0.014 4.326 4.340 -0.000 0.000 0.228 409 R C 2.218 178.553 176.300 0.059 0.000 1.110 409 R CA 1.059 57.195 56.100 0.059 0.000 0.973 409 R CB -0.205 30.140 30.300 0.075 0.000 0.869 409 R HN 0.151 nan 8.270 nan 0.000 0.440 410 A N 1.108 123.957 122.820 0.048 0.000 2.209 410 A HA -0.120 4.200 4.320 -0.000 0.000 0.212 410 A C 0.358 177.961 177.584 0.032 0.000 1.158 410 A CA 0.816 52.876 52.037 0.039 0.000 0.742 410 A CB -0.207 18.810 19.000 0.029 0.000 0.790 410 A HN 0.434 nan 8.150 nan 0.000 0.472 411 D N -0.991 119.430 120.400 0.035 0.000 2.697 411 D HA -0.176 4.464 4.640 -0.000 0.000 0.235 411 D C -0.585 175.729 176.300 0.022 0.000 1.167 411 D CA 1.307 55.326 54.000 0.032 0.000 0.656 411 D CB -1.227 39.596 40.800 0.038 0.000 1.025 411 D HN 0.454 nan 8.370 nan 0.000 0.419 412 D N 0.239 120.650 120.400 0.018 0.000 2.517 412 D HA 0.245 4.885 4.640 -0.000 0.000 0.263 412 D C -0.401 175.904 176.300 0.009 0.000 1.233 412 D CA -0.461 53.543 54.000 0.007 0.000 0.849 412 D CB 0.228 41.026 40.800 -0.003 0.000 1.261 412 D HN 0.221 nan 8.370 nan 0.000 0.516 413 R N 0.815 121.330 120.500 0.024 0.000 2.490 413 R HA 0.770 5.110 4.340 -0.000 0.000 0.278 413 R C 0.104 176.430 176.300 0.044 0.000 1.069 413 R CA -0.407 55.720 56.100 0.044 0.000 1.080 413 R CB 1.494 31.840 30.300 0.078 0.000 1.030 413 R HN 0.322 nan 8.270 nan 0.000 0.491 414 A N 2.253 125.103 122.820 0.050 0.000 2.312 414 A HA 0.634 4.953 4.320 -0.000 0.000 0.310 414 A C -1.620 176.072 177.584 0.179 0.000 1.139 414 A CA -0.558 51.509 52.037 0.050 0.000 0.886 414 A CB 1.339 20.316 19.000 -0.038 0.000 1.350 414 A HN 0.738 nan 8.150 nan 0.000 0.479 415 W N 0.620 121.868 121.300 -0.087 0.000 3.259 415 W HA 0.320 4.981 4.660 0.000 0.000 0.331 415 W C -1.184 175.280 176.519 -0.093 0.000 1.144 415 W CA -0.218 57.081 57.345 -0.076 0.000 1.227 415 W CB 1.478 30.899 29.460 -0.064 0.000 1.371 415 W HN 0.888 nan 8.180 nan 0.000 0.491 416 Q N 4.194 123.771 119.800 -0.371 0.000 2.314 416 Q HA 0.403 4.743 4.340 -0.000 0.000 0.258 416 Q C -0.975 174.959 176.000 -0.110 0.000 0.954 416 Q CA 0.113 55.768 55.803 -0.246 0.000 0.890 416 Q CB 1.019 29.575 28.738 -0.304 0.000 1.210 416 Q HN 0.534 nan 8.270 nan 0.000 0.410 417 L N 5.663 126.836 121.223 -0.082 0.000 2.334 417 L HA 0.594 4.934 4.340 -0.000 0.000 0.273 417 L C -2.165 174.599 176.870 -0.176 0.000 1.013 417 L CA -2.383 52.403 54.840 -0.089 0.000 0.816 417 L CB 1.660 43.677 42.059 -0.070 0.000 1.278 417 L HN 0.640 nan 8.230 nan 0.000 0.431 418 P HA 0.229 nan 4.420 nan 0.000 0.282 418 P C -0.745 176.332 177.300 -0.372 0.000 1.249 418 P CA -0.290 62.522 63.100 -0.480 0.000 0.806 418 P CB 0.892 31.985 31.700 -1.013 0.000 0.984 419 L N 2.312 123.426 121.223 -0.181 0.000 2.959 419 L HA 0.329 4.669 4.340 -0.000 0.000 0.236 419 L C -0.020 177.026 176.870 0.292 0.000 1.296 419 L CA -0.698 54.173 54.840 0.052 0.000 1.047 419 L CB -0.562 41.581 42.059 0.140 0.000 1.395 419 L HN 0.185 nan 8.230 nan 0.000 0.492 420 F N 0.468 120.630 119.950 0.353 0.000 2.545 420 F HA 0.011 4.538 4.527 -0.000 0.000 0.348 420 F C 1.730 177.669 175.800 0.232 0.000 1.163 420 F CA -0.252 57.914 58.000 0.277 0.000 1.331 420 F CB 0.309 39.452 39.000 0.238 0.000 1.138 420 F HN 0.220 nan 8.300 nan 0.000 0.602 421 D N 1.065 121.640 120.400 0.292 0.000 2.144 421 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 421 D C 1.793 178.148 176.300 0.091 0.000 0.984 421 D CA 1.217 55.309 54.000 0.153 0.000 0.834 421 D CB -0.128 40.716 40.800 0.072 0.000 0.955 421 D HN 0.532 nan 8.370 nan 0.000 0.465 422 E N -0.180 120.022 120.200 0.004 0.000 2.233 422 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 422 E C 1.655 178.186 176.600 -0.114 0.000 1.004 422 E CA 0.838 57.169 56.400 -0.115 0.000 0.819 422 E CB -0.490 29.058 29.700 -0.254 0.000 0.738 422 E HN 0.569 nan 8.360 nan 0.000 0.478 423 Y N 0.290 120.663 120.300 0.121 0.000 2.516 423 Y HA -0.060 4.490 4.550 -0.000 0.000 0.291 423 Y C 2.218 178.169 175.900 0.084 0.000 1.131 423 Y CA 0.376 58.536 58.100 0.102 0.000 1.281 423 Y CB 0.200 38.725 38.460 0.109 0.000 1.013 423 Y HN 0.005 nan 8.280 nan 0.000 0.554 424 Q N 0.874 120.792 119.800 0.197 0.000 2.084 424 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 424 Q C 1.960 178.016 176.000 0.094 0.000 0.978 424 Q CA 1.801 57.683 55.803 0.131 0.000 0.844 424 Q CB -0.423 28.367 28.738 0.087 0.000 0.898 424 Q HN 0.757 nan 8.270 nan 0.000 0.426 425 E N 0.647 120.888 120.200 0.069 0.000 2.209 425 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 425 E C 1.709 178.344 176.600 0.059 0.000 0.993 425 E CA 1.037 57.464 56.400 0.045 0.000 0.819 425 E CB -0.298 29.415 29.700 0.022 0.000 0.745 425 E HN 0.391 nan 8.360 nan 0.000 0.477 426 Q N 0.349 120.203 119.800 0.090 0.000 2.291 426 Q HA -0.032 4.308 4.340 -0.000 0.000 0.206 426 Q C 1.875 177.934 176.000 0.099 0.000 0.976 426 Q CA 0.916 56.777 55.803 0.097 0.000 0.875 426 Q CB -0.041 28.776 28.738 0.133 0.000 0.927 426 Q HN 0.437 nan 8.270 nan 0.000 0.450 427 L N 0.543 121.832 121.223 0.111 0.000 2.592 427 L HA 0.082 4.422 4.340 -0.000 0.000 0.227 427 L C -0.146 176.781 176.870 0.096 0.000 1.127 427 L CA -0.418 54.500 54.840 0.131 0.000 0.884 427 L CB 0.092 42.257 42.059 0.177 0.000 1.065 427 L HN 0.034 nan 8.230 nan 0.000 0.457 428 D N 0.899 121.335 120.400 0.060 0.000 2.455 428 D HA 0.056 4.695 4.640 -0.000 0.000 0.241 428 D C 0.250 176.563 176.300 0.022 0.000 1.138 428 D CA 0.541 54.558 54.000 0.029 0.000 0.877 428 D CB 1.233 42.037 40.800 0.006 0.000 1.187 428 D HN -0.073 nan 8.370 nan 0.000 0.451 429 S N 1.728 117.431 115.700 0.006 0.000 2.513 429 S HA 0.456 4.926 4.470 -0.000 0.000 0.299 429 S C -1.836 172.685 174.600 -0.131 0.000 1.087 429 S CA -1.467 56.724 58.200 -0.014 0.000 1.012 429 S CB 1.592 64.837 63.200 0.074 0.000 1.044 429 S HN 0.039 nan 8.310 nan 0.000 0.485 430 P HA 0.037 nan 4.420 nan 0.000 0.218 430 P C 0.258 177.184 177.300 -0.622 0.000 1.148 430 P CA 1.317 64.034 63.100 -0.638 0.000 0.822 430 P CB 0.006 30.992 31.700 -1.191 0.000 0.784 431 F N -2.027 117.938 119.950 0.025 0.000 2.619 431 F HA 0.401 4.928 4.527 -0.000 0.000 0.281 431 F C 1.407 177.222 175.800 0.025 0.000 1.065 431 F CA -0.310 57.704 58.000 0.023 0.000 1.304 431 F CB -0.832 38.183 39.000 0.025 0.000 1.059 431 F HN -0.250 nan 8.300 nan 0.000 0.648 432 A N 0.284 123.232 122.820 0.214 0.000 2.282 432 A HA 0.400 4.720 4.320 -0.000 0.000 0.324 432 A C 0.650 178.282 177.584 0.080 0.000 1.119 432 A CA -0.362 51.759 52.037 0.140 0.000 0.880 432 A CB 0.212 19.303 19.000 0.153 0.000 1.294 432 A HN 0.118 nan 8.150 nan 0.000 0.493 433 D N -0.155 120.278 120.400 0.055 0.000 2.182 433 D HA -0.060 4.580 4.640 -0.000 0.000 0.201 433 D C 0.728 177.038 176.300 0.016 0.000 0.986 433 D CA 2.162 56.169 54.000 0.011 0.000 0.847 433 D CB -0.202 40.581 40.800 -0.028 0.000 0.942 433 D HN 0.645 nan 8.370 nan 0.000 0.467 434 M N -2.352 117.288 119.600 0.068 0.000 2.603 434 M HA 0.558 5.038 4.480 -0.000 0.000 0.275 434 M C -0.562 175.848 176.300 0.183 0.000 1.226 434 M CA -0.940 54.424 55.300 0.105 0.000 0.870 434 M CB 2.108 34.759 32.600 0.084 0.000 1.716 434 M HN -0.178 nan 8.290 nan 0.000 0.482 435 G N 0.913 109.825 108.800 0.187 0.000 2.477 435 G HA2 0.351 4.311 3.960 -0.000 0.000 0.304 435 G HA3 0.351 4.311 3.960 -0.000 0.000 0.304 435 G C 0.307 175.367 174.900 0.267 0.000 1.175 435 G CA -0.424 44.792 45.100 0.194 0.000 0.907 435 G HN 0.953 nan 8.290 nan 0.000 0.509 436 N N -0.479 118.312 118.700 0.152 0.000 2.398 436 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 436 N C 0.513 175.961 175.510 -0.104 0.000 1.122 436 N CA 0.163 53.181 53.050 -0.054 0.000 0.866 436 N CB -0.086 38.270 38.487 -0.219 0.000 0.970 436 N HN 0.638 nan 8.380 nan 0.000 0.462 437 I N -5.965 114.614 120.570 0.015 0.000 2.865 437 I HA 0.672 4.842 4.170 -0.000 0.000 0.302 437 I C 0.360 176.515 176.117 0.062 0.000 1.140 437 I CA -1.352 59.956 61.300 0.013 0.000 1.021 437 I CB 2.178 40.178 38.000 -0.000 0.000 1.233 437 I HN -0.227 nan 8.210 nan 0.000 0.427 438 G N 2.008 110.846 108.800 0.064 0.000 3.324 438 G HA2 0.589 4.549 3.960 -0.000 0.000 0.251 438 G HA3 0.589 4.549 3.960 -0.000 0.000 0.251 438 G C 0.551 175.492 174.900 0.069 0.000 1.072 438 G CA -0.042 45.107 45.100 0.082 0.000 0.787 438 G HN 1.499 nan 8.290 nan 0.000 0.537 439 G N 0.749 109.578 108.800 0.050 0.000 2.660 439 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.247 439 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.247 439 G C -1.142 173.782 174.900 0.039 0.000 1.328 439 G CA -0.117 45.009 45.100 0.043 0.000 0.884 439 G HN 0.148 nan 8.290 nan 0.000 0.531 440 P HA 0.149 nan 4.420 nan 0.000 0.241 440 P C 0.498 177.820 177.300 0.036 0.000 1.191 440 P CA 1.089 64.207 63.100 0.030 0.000 0.771 440 P CB -0.031 31.684 31.700 0.025 0.000 0.929 441 K N -0.314 120.118 120.400 0.054 0.000 2.159 441 K HA 0.632 4.952 4.320 -0.000 0.000 0.266 441 K C 0.034 176.683 176.600 0.081 0.000 0.975 441 K CA -0.564 55.765 56.287 0.069 0.000 0.865 441 K CB 1.106 33.658 32.500 0.087 0.000 1.087 441 K HN -0.063 nan 8.250 nan 0.000 0.446 442 A N 2.275 125.130 122.820 0.058 0.000 2.667 442 A HA -0.157 4.163 4.320 -0.000 0.000 0.298 442 A C 1.136 178.707 177.584 -0.023 0.000 1.483 442 A CA 0.766 52.804 52.037 0.002 0.000 0.738 442 A CB -2.184 16.826 19.000 0.018 0.000 1.067 442 A HN 1.137 nan 8.150 nan 0.000 0.451 443 G N -0.578 108.219 108.800 -0.006 0.000 2.402 443 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.216 443 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.216 443 G C 1.418 176.316 174.900 -0.004 0.000 1.162 443 G CA 1.934 47.034 45.100 -0.000 0.000 0.777 443 G HN 0.871 nan 8.290 nan 0.000 0.539 444 T N 1.565 116.110 114.554 -0.014 0.000 2.652 444 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 444 T C 2.385 177.087 174.700 0.003 0.000 1.039 444 T CA 1.224 63.327 62.100 0.005 0.000 1.153 444 T CB -0.209 68.650 68.868 -0.015 0.000 0.863 444 T HN 0.250 nan 8.240 nan 0.000 0.428 445 I N 1.790 122.306 120.570 -0.091 0.000 2.179 445 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 445 I C 3.003 179.076 176.117 -0.072 0.000 1.088 445 I CA 1.698 62.893 61.300 -0.174 0.000 1.357 445 I CB -0.777 36.909 38.000 -0.523 0.000 1.051 445 I HN 0.429 nan 8.210 nan 0.000 0.409 446 T N -0.975 113.563 114.554 -0.028 0.000 2.904 446 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 446 T C 1.994 176.768 174.700 0.123 0.000 1.059 446 T CA 0.814 62.959 62.100 0.074 0.000 1.137 446 T CB -0.405 68.523 68.868 0.099 0.000 0.879 446 T HN 0.321 nan 8.240 nan 0.000 0.467 447 A N 2.046 124.915 122.820 0.081 0.000 1.883 447 A HA 0.186 4.506 4.320 -0.000 0.000 0.217 447 A C 2.764 180.413 177.584 0.110 0.000 1.186 447 A CA 1.862 53.945 52.037 0.077 0.000 0.624 447 A CB -1.728 17.296 19.000 0.041 0.000 0.822 447 A HN 0.622 nan 8.150 nan 0.000 0.444 448 G N -0.953 107.918 108.800 0.120 0.000 2.469 448 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 448 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 448 G C 1.614 176.675 174.900 0.269 0.000 1.150 448 G CA 1.363 46.584 45.100 0.203 0.000 0.763 448 G HN 0.534 nan 8.290 nan 0.000 0.561 449 C N -0.364 119.056 119.300 0.200 0.000 2.429 449 C HA 0.023 4.483 4.460 -0.000 0.000 0.277 449 C C 2.420 177.512 174.990 0.171 0.000 1.262 449 C CA 0.665 59.792 59.018 0.183 0.000 1.733 449 C CB -1.225 26.619 27.740 0.172 0.000 2.010 449 C HN 0.472 nan 8.230 nan 0.000 0.483 450 F N 1.517 121.519 119.950 0.087 0.000 2.065 450 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 450 F C 2.121 178.027 175.800 0.177 0.000 1.112 450 F CA 1.760 59.833 58.000 0.122 0.000 1.212 450 F CB -0.493 38.559 39.000 0.086 0.000 0.975 450 F HN 0.121 nan 8.300 nan 0.000 0.476 451 L N -0.011 121.391 121.223 0.298 0.000 2.046 451 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 451 L C 2.762 179.497 176.870 -0.226 0.000 1.077 451 L CA 1.463 56.365 54.840 0.104 0.000 0.747 451 L CB -1.123 40.998 42.059 0.103 0.000 0.896 451 L HN 0.346 nan 8.230 nan 0.000 0.432 452 S N 0.135 115.637 115.700 -0.330 0.000 2.440 452 S HA -0.223 4.247 4.470 -0.000 0.000 0.240 452 S C 1.916 176.280 174.600 -0.393 0.000 1.014 452 S CA 0.942 58.784 58.200 -0.596 0.000 0.980 452 S CB -0.523 62.618 63.200 -0.098 0.000 0.775 452 S HN 0.425 nan 8.310 nan 0.000 0.499 453 R N -0.411 119.912 120.500 -0.295 0.000 2.328 453 R HA 0.119 4.458 4.340 -0.000 0.000 0.207 453 R C 0.502 176.386 176.300 -0.693 0.000 1.056 453 R CA 0.978 56.787 56.100 -0.486 0.000 1.016 453 R CB -0.301 29.624 30.300 -0.625 0.000 0.872 453 R HN 0.559 nan 8.270 nan 0.000 0.471 454 F N -1.577 118.129 119.950 -0.407 0.000 2.728 454 F HA 0.322 4.848 4.527 -0.000 0.000 0.314 454 F C 1.421 176.978 175.800 -0.405 0.000 1.094 454 F CA -0.311 57.489 58.000 -0.333 0.000 1.217 454 F CB 0.694 39.542 39.000 -0.253 0.000 1.056 454 F HN -0.130 nan 8.300 nan 0.000 0.577 455 A N -0.352 122.204 122.820 -0.441 0.000 2.545 455 A HA 0.223 4.543 4.320 -0.000 0.000 0.277 455 A C 1.622 178.835 177.584 -0.619 0.000 1.301 455 A CA -0.142 51.506 52.037 -0.649 0.000 0.935 455 A CB -0.411 17.945 19.000 -1.073 0.000 1.093 455 A HN 0.177 nan 8.150 nan 0.000 0.519 456 K N -0.146 119.972 120.400 -0.470 0.000 2.365 456 K HA 0.040 4.360 4.320 -0.000 0.000 0.199 456 K C 1.728 178.133 176.600 -0.325 0.000 1.045 456 K CA 0.847 56.942 56.287 -0.320 0.000 0.962 456 K CB 0.011 32.368 32.500 -0.238 0.000 0.759 456 K HN 0.460 nan 8.250 nan 0.000 0.469 457 A N 0.765 123.271 122.820 -0.524 0.000 2.206 457 A HA -0.004 4.316 4.320 -0.000 0.000 0.211 457 A C 0.100 177.587 177.584 -0.162 0.000 1.158 457 A CA 0.596 52.432 52.037 -0.335 0.000 0.761 457 A CB -0.313 18.543 19.000 -0.240 0.000 0.801 457 A HN 0.346 nan 8.150 nan 0.000 0.473 458 Y N -3.952 116.386 120.300 0.063 0.000 2.750 458 Y HA 0.478 5.028 4.550 -0.000 0.000 0.335 458 Y C -0.946 175.045 175.900 0.151 0.000 1.252 458 Y CA -2.801 55.358 58.100 0.097 0.000 1.064 458 Y CB -0.299 38.227 38.460 0.109 0.000 1.321 458 Y HN 0.022 nan 8.280 nan 0.000 0.451 459 N N 0.650 119.606 118.700 0.427 0.000 2.475 459 N HA 0.322 5.062 4.740 -0.000 0.000 0.267 459 N C -1.714 174.082 175.510 0.478 0.000 1.169 459 N CA 0.056 53.321 53.050 0.357 0.000 0.947 459 N CB 0.690 39.312 38.487 0.226 0.000 1.061 459 N HN 0.716 nan 8.380 nan 0.000 0.466 460 W N 2.900 124.336 121.300 0.227 0.000 3.129 460 W HA 0.674 5.334 4.660 -0.000 0.000 0.333 460 W C -1.755 174.844 176.519 0.133 0.000 1.141 460 W CA -0.627 56.851 57.345 0.221 0.000 1.224 460 W CB 0.963 30.634 29.460 0.352 0.000 1.393 460 W HN 0.474 nan 8.180 nan 0.000 0.499 461 A N 4.679 127.106 122.820 -0.654 0.000 2.423 461 A HA 0.687 5.007 4.320 -0.000 0.000 0.304 461 A C -1.921 175.057 177.584 -1.009 0.000 1.104 461 A CA -0.651 50.871 52.037 -0.858 0.000 0.757 461 A CB 1.695 20.433 19.000 -0.436 0.000 1.313 461 A HN 0.864 nan 8.150 nan 0.000 0.423 462 H N 1.685 120.225 119.070 -0.883 0.000 2.759 462 H HA 0.640 5.196 4.556 -0.000 0.000 0.354 462 H C -1.885 173.292 175.328 -0.251 0.000 1.074 462 H CA -0.735 55.044 56.048 -0.449 0.000 1.226 462 H CB 1.277 30.878 29.762 -0.268 0.000 1.648 462 H HN 0.619 nan 8.280 nan 0.000 0.529 463 M N 4.394 123.602 119.600 -0.653 0.000 2.134 463 M HA 0.114 4.594 4.480 -0.000 0.000 0.310 463 M C -0.912 175.073 176.300 -0.525 0.000 0.966 463 M CA -0.712 54.279 55.300 -0.515 0.000 0.922 463 M CB 1.673 34.112 32.600 -0.268 0.000 1.537 463 M HN 0.467 nan 8.290 nan 0.000 0.424 464 D N 4.696 124.810 120.400 -0.476 0.000 2.428 464 D HA 0.274 4.914 4.640 -0.000 0.000 0.221 464 D C 0.347 176.562 176.300 -0.142 0.000 1.123 464 D CA -0.198 53.661 54.000 -0.234 0.000 0.869 464 D CB 0.716 41.424 40.800 -0.154 0.000 1.032 464 D HN 0.701 nan 8.370 nan 0.000 0.506 465 I N 0.684 121.198 120.570 -0.093 0.000 3.891 465 I HA 0.327 4.497 4.170 -0.000 0.000 0.331 465 I C 1.629 177.700 176.117 -0.077 0.000 1.406 465 I CA -0.525 60.725 61.300 -0.083 0.000 1.139 465 I CB 0.524 38.491 38.000 -0.055 0.000 1.056 465 I HN 0.170 nan 8.210 nan 0.000 0.399 466 A N 1.993 124.775 122.820 -0.063 0.000 1.958 466 A HA -0.152 4.168 4.320 -0.000 0.000 0.221 466 A C 2.267 179.637 177.584 -0.358 0.000 1.178 466 A CA 2.267 54.250 52.037 -0.091 0.000 0.642 466 A CB -1.242 17.731 19.000 -0.044 0.000 0.816 466 A HN 0.599 nan 8.150 nan 0.000 0.453 467 G N -1.896 106.717 108.800 -0.311 0.000 2.603 467 G HA2 0.086 4.046 3.960 -0.000 0.000 0.214 467 G HA3 0.086 4.046 3.960 -0.000 0.000 0.214 467 G C 1.456 176.104 174.900 -0.420 0.000 1.140 467 G CA 1.542 46.401 45.100 -0.401 0.000 0.800 467 G HN 0.706 nan 8.290 nan 0.000 0.533 468 T N -2.578 111.797 114.554 -0.299 0.000 3.022 468 T HA 0.483 4.833 4.350 -0.000 0.000 0.250 468 T C 2.246 176.831 174.700 -0.191 0.000 1.060 468 T CA 0.980 62.941 62.100 -0.232 0.000 1.013 468 T CB 0.593 69.372 68.868 -0.148 0.000 0.982 468 T HN 0.172 nan 8.240 nan 0.000 0.508 469 A N 0.812 123.537 122.820 -0.158 0.000 2.072 469 A HA 0.503 4.822 4.320 -0.000 0.000 0.216 469 A C 0.641 178.250 177.584 0.042 0.000 1.156 469 A CA 0.027 52.062 52.037 -0.003 0.000 0.701 469 A CB -0.488 18.604 19.000 0.153 0.000 0.816 469 A HN 0.867 nan 8.150 nan 0.000 0.458 470 W N -2.597 118.526 121.300 -0.294 0.000 3.018 470 W HA 0.725 5.385 4.660 0.000 0.000 0.352 470 W C -1.611 174.721 176.519 -0.311 0.000 1.230 470 W CA -1.197 55.886 57.345 -0.437 0.000 1.162 470 W CB 0.434 29.362 29.460 -0.886 0.000 1.483 470 W HN -0.139 nan 8.180 nan 0.000 0.584 471 I N 2.558 123.052 120.570 -0.127 0.000 2.378 471 I HA 0.205 4.375 4.170 -0.000 0.000 0.291 471 I C 0.764 176.920 176.117 0.064 0.000 0.992 471 I CA -0.572 60.643 61.300 -0.142 0.000 1.154 471 I CB 2.168 40.110 38.000 -0.097 0.000 1.315 471 I HN 0.678 nan 8.210 nan 0.000 0.448 472 S N 3.164 118.869 115.700 0.008 0.000 2.406 472 S HA 0.095 4.565 4.470 -0.000 0.000 0.228 472 S C 0.725 175.404 174.600 0.133 0.000 1.020 472 S CA 0.983 59.286 58.200 0.173 0.000 0.965 472 S CB 0.094 63.352 63.200 0.095 0.000 0.798 472 S HN 0.895 nan 8.310 nan 0.000 0.488 473 G N -1.433 107.405 108.800 0.062 0.000 2.815 473 G HA2 0.565 4.525 3.960 -0.000 0.000 0.305 473 G HA3 0.565 4.525 3.960 -0.000 0.000 0.305 473 G C -0.033 174.889 174.900 0.036 0.000 1.277 473 G CA -0.042 45.091 45.100 0.055 0.000 0.795 473 G HN 0.717 nan 8.290 nan 0.000 0.528 474 G N -0.427 108.393 108.800 0.033 0.000 2.601 474 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.252 474 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.252 474 G C 0.981 175.904 174.900 0.037 0.000 1.294 474 G CA 0.683 45.799 45.100 0.028 0.000 0.912 474 G HN 0.784 nan 8.290 nan 0.000 0.574 475 K N 0.370 120.790 120.400 0.033 0.000 2.001 475 K HA -0.018 4.302 4.320 -0.000 0.000 0.208 475 K C 1.525 178.157 176.600 0.053 0.000 1.048 475 K CA 1.778 58.090 56.287 0.041 0.000 0.932 475 K CB -0.396 32.124 32.500 0.033 0.000 0.715 475 K HN 0.503 nan 8.250 nan 0.000 0.437 476 D N 1.660 122.085 120.400 0.042 0.000 2.519 476 D HA -0.013 4.626 4.640 -0.000 0.000 0.238 476 D C 0.132 176.458 176.300 0.043 0.000 1.192 476 D CA 0.115 54.142 54.000 0.046 0.000 0.835 476 D CB -0.282 40.533 40.800 0.025 0.000 0.975 476 D HN 0.087 nan 8.370 nan 0.000 0.490 477 K N 0.914 121.351 120.400 0.061 0.000 2.453 477 K HA 0.300 4.620 4.320 -0.000 0.000 0.280 477 K C 0.367 177.018 176.600 0.084 0.000 1.045 477 K CA 0.220 56.554 56.287 0.079 0.000 1.059 477 K CB 0.183 32.747 32.500 0.106 0.000 0.901 477 K HN 0.227 nan 8.250 nan 0.000 0.475 478 G N 1.933 110.745 108.800 0.021 0.000 2.341 478 G HA2 0.328 4.288 3.960 -0.000 0.000 0.293 478 G HA3 0.328 4.288 3.960 -0.000 0.000 0.293 478 G C -1.401 173.343 174.900 -0.261 0.000 1.298 478 G CA -0.536 44.524 45.100 -0.065 0.000 0.868 478 G HN 0.752 nan 8.290 nan 0.000 0.540 479 A N -0.798 121.842 122.820 -0.300 0.000 2.466 479 A HA 0.583 4.903 4.320 -0.000 0.000 0.238 479 A C 1.569 179.042 177.584 -0.185 0.000 1.074 479 A CA 1.473 53.369 52.037 -0.235 0.000 0.774 479 A CB 0.188 19.126 19.000 -0.103 0.000 1.015 479 A HN 2.143 nan 8.150 nan 0.000 0.498 480 T N -1.954 112.511 114.554 -0.148 0.000 2.969 480 T HA 0.445 4.795 4.350 -0.000 0.000 0.250 480 T C 1.355 175.970 174.700 -0.141 0.000 1.021 480 T CA 1.054 63.068 62.100 -0.143 0.000 1.003 480 T CB 0.215 69.012 68.868 -0.118 0.000 1.040 480 T HN 2.429 nan 8.240 nan 0.000 0.492 481 G N 2.043 110.773 108.800 -0.117 0.000 2.175 481 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 481 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 481 G C 0.154 175.022 174.900 -0.054 0.000 0.982 481 G CA -0.211 44.836 45.100 -0.088 0.000 0.641 481 G HN 0.684 nan 8.290 nan 0.000 0.527 482 R N 0.997 121.462 120.500 -0.058 0.000 2.438 482 R HA 0.422 4.762 4.340 -0.000 0.000 0.287 482 R C -2.076 174.200 176.300 -0.040 0.000 1.077 482 R CA -0.880 55.190 56.100 -0.049 0.000 1.034 482 R CB 1.119 31.382 30.300 -0.062 0.000 0.993 482 R HN 0.146 nan 8.270 nan 0.000 0.459 483 P HA 0.105 nan 4.420 nan 0.000 0.269 483 P C 0.563 177.847 177.300 -0.027 0.000 1.857 483 P CA -0.132 62.944 63.100 -0.039 0.000 1.213 483 P CB 0.527 32.195 31.700 -0.054 0.000 1.702 484 V N 1.566 121.470 119.914 -0.017 0.000 2.324 484 V HA -0.164 3.955 4.120 -0.000 0.000 0.250 484 V C -0.293 175.798 176.094 -0.004 0.000 1.060 484 V CA 2.395 64.693 62.300 -0.004 0.000 1.042 484 V CB -2.126 29.703 31.823 0.010 0.000 0.650 484 V HN 0.236 nan 8.190 nan 0.000 0.450 485 P HA -0.155 nan 4.420 nan 0.000 0.215 485 P C 2.018 179.320 177.300 0.003 0.000 1.153 485 P CA 1.515 64.616 63.100 0.001 0.000 0.853 485 P CB -0.002 31.698 31.700 0.000 0.000 0.788 486 L N -1.039 120.182 121.223 -0.005 0.000 1.988 486 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 486 L C 2.393 179.271 176.870 0.012 0.000 1.071 486 L CA 1.591 56.429 54.840 -0.002 0.000 0.744 486 L CB -0.856 41.186 42.059 -0.028 0.000 0.893 486 L HN -0.161 nan 8.230 nan 0.000 0.433 487 L N -0.629 120.590 121.223 -0.006 0.000 2.079 487 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 487 L C 2.487 179.385 176.870 0.047 0.000 1.081 487 L CA 1.758 56.609 54.840 0.019 0.000 0.752 487 L CB -1.153 40.897 42.059 -0.015 0.000 0.896 487 L HN 0.307 nan 8.230 nan 0.000 0.433 488 T N -1.311 113.244 114.554 0.002 0.000 2.746 488 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 488 T C 1.854 176.524 174.700 -0.050 0.000 1.039 488 T CA 1.460 63.539 62.100 -0.034 0.000 1.142 488 T CB -0.183 68.665 68.868 -0.033 0.000 0.866 488 T HN 0.205 nan 8.240 nan 0.000 0.444 489 Q N 0.498 120.290 119.800 -0.012 0.000 2.096 489 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 489 Q C 1.918 177.911 176.000 -0.012 0.000 0.982 489 Q CA 1.695 57.493 55.803 -0.008 0.000 0.850 489 Q CB -0.710 28.046 28.738 0.030 0.000 0.901 489 Q HN 0.747 nan 8.270 nan 0.000 0.422 490 Y N -0.335 119.900 120.300 -0.108 0.000 2.274 490 Y HA -0.106 4.444 4.550 -0.000 0.000 0.290 490 Y C 1.473 177.243 175.900 -0.217 0.000 1.145 490 Y CA 1.457 59.475 58.100 -0.137 0.000 1.203 490 Y CB -0.041 38.340 38.460 -0.131 0.000 0.984 490 Y HN 0.158 nan 8.280 nan 0.000 0.533 491 L N -0.646 120.356 121.223 -0.368 0.000 2.131 491 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 491 L C 2.412 179.053 176.870 -0.382 0.000 1.087 491 L CA 0.728 55.254 54.840 -0.523 0.000 0.767 491 L CB -0.497 41.377 42.059 -0.308 0.000 0.917 491 L HN 0.276 nan 8.230 nan 0.000 0.441 492 L N -0.187 120.880 121.223 -0.260 0.000 2.042 492 L HA -0.273 4.066 4.340 -0.000 0.000 0.210 492 L C 2.289 179.042 176.870 -0.196 0.000 1.076 492 L CA 1.279 55.985 54.840 -0.223 0.000 0.749 492 L CB -0.623 41.297 42.059 -0.232 0.000 0.893 492 L HN 0.316 nan 8.230 nan 0.000 0.432 493 D N -0.368 119.910 120.400 -0.203 0.000 2.104 493 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 493 D C 2.348 178.524 176.300 -0.207 0.000 0.994 493 D CA 1.016 54.914 54.000 -0.170 0.000 0.830 493 D CB -0.236 40.477 40.800 -0.145 0.000 0.959 493 D HN 0.162 nan 8.370 nan 0.000 0.452 494 R N 0.665 120.948 120.500 -0.362 0.000 2.092 494 R HA 0.051 4.391 4.340 -0.000 0.000 0.231 494 R C 2.016 178.231 176.300 -0.141 0.000 1.119 494 R CA 0.905 56.820 56.100 -0.309 0.000 0.970 494 R CB -0.726 29.179 30.300 -0.659 0.000 0.864 494 R HN 0.150 nan 8.270 nan 0.000 0.440 495 A N 0.038 122.762 122.820 -0.159 0.000 2.206 495 A HA 0.194 4.514 4.320 -0.000 0.000 0.211 495 A C 1.348 178.907 177.584 -0.041 0.000 1.158 495 A CA 0.872 52.868 52.037 -0.067 0.000 0.761 495 A CB -0.287 18.672 19.000 -0.068 0.000 0.801 495 A HN 0.416 nan 8.150 nan 0.000 0.473 496 G N -1.469 107.296 108.800 -0.059 0.000 2.225 496 G HA2 0.026 3.985 3.960 -0.000 0.000 0.267 496 G HA3 0.026 3.985 3.960 -0.000 0.000 0.267 496 G C 0.472 175.353 174.900 -0.031 0.000 1.024 496 G CA 0.708 45.784 45.100 -0.040 0.000 0.784 496 G HN 1.466 nan 8.290 nan 0.000 0.507 497 A N 0.000 122.796 122.820 -0.039 0.000 2.254 497 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 497 A CA 0.000 52.041 52.037 0.007 0.000 0.836 497 A CB 0.000 19.001 19.000 0.002 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486