REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3h8g_1_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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 E N 3.119 123.326 120.200 0.011 0.000 2.289 2 E HA 0.487 4.842 4.350 0.008 0.000 0.278 2 E C -1.852 174.755 176.600 0.011 0.000 1.032 2 E CA -0.506 55.900 56.400 0.010 0.000 0.854 2 E CB 1.216 30.920 29.700 0.006 0.000 1.046 2 E HN 0.506 nan 8.360 nan 0.000 0.409 3 L N 6.769 127.999 121.223 0.012 0.000 2.372 3 L HA 0.377 4.722 4.340 0.008 0.000 0.273 3 L C -1.157 175.715 176.870 0.003 0.000 0.989 3 L CA -0.695 54.152 54.840 0.011 0.000 0.841 3 L CB 1.382 43.453 42.059 0.020 0.000 1.225 3 L HN 0.401 nan 8.230 nan 0.000 0.414 4 V N 2.796 122.708 119.914 -0.004 0.000 3.126 4 V HA 0.884 5.009 4.120 0.008 0.000 0.314 4 V C -1.074 175.002 176.094 -0.030 0.000 1.138 4 V CA -0.778 61.513 62.300 -0.015 0.000 1.034 4 V CB 2.190 34.006 31.823 -0.011 0.000 1.075 4 V HN 0.360 nan 8.190 nan 0.000 0.442 5 V N 1.582 121.471 119.914 -0.042 0.000 2.588 5 V HA 0.656 4.781 4.120 0.008 0.000 0.304 5 V C -0.206 175.857 176.094 -0.051 0.000 1.042 5 V CA -0.571 61.689 62.300 -0.066 0.000 0.877 5 V CB 1.599 33.364 31.823 -0.096 0.000 0.996 5 V HN 1.046 nan 8.190 nan 0.000 0.425 6 K N 1.512 121.883 120.400 -0.048 0.000 2.444 6 K HA 0.599 4.924 4.320 0.008 0.000 0.252 6 K C 0.172 176.751 176.600 -0.036 0.000 0.993 6 K CA -0.475 55.791 56.287 -0.035 0.000 0.847 6 K CB 2.279 34.767 32.500 -0.020 0.000 1.340 6 K HN 0.688 nan 8.250 nan 0.000 0.446 7 S N -1.183 114.500 115.700 -0.028 0.000 2.650 7 S HA 0.091 4.566 4.470 0.008 0.000 0.240 7 S C 0.571 175.165 174.600 -0.010 0.000 1.007 7 S CA -0.620 57.567 58.200 -0.023 0.000 0.984 7 S CB -0.472 62.709 63.200 -0.032 0.000 0.910 7 S HN 0.377 nan 8.310 nan 0.000 0.509 8 V N -0.114 119.796 119.914 -0.007 0.000 3.185 8 V HA 0.806 4.932 4.120 0.008 0.000 0.305 8 V C 0.664 176.762 176.094 0.006 0.000 1.090 8 V CA -0.693 61.607 62.300 -0.001 0.000 1.107 8 V CB -0.084 31.739 31.823 -0.001 0.000 1.061 8 V HN 0.490 nan 8.190 nan 0.000 0.480 9 A N 2.095 124.920 122.820 0.008 0.000 2.401 9 A HA 0.675 5.000 4.320 0.008 0.000 0.259 9 A C 1.514 179.107 177.584 0.014 0.000 1.103 9 A CA 0.105 52.149 52.037 0.012 0.000 0.789 9 A CB 0.418 19.425 19.000 0.011 0.000 1.035 9 A HN 1.915 nan 8.150 nan 0.000 0.491 10 A N 2.513 125.345 122.820 0.020 0.000 1.908 10 A HA 0.068 4.393 4.320 0.008 0.000 0.218 10 A C 2.282 179.877 177.584 0.018 0.000 1.181 10 A CA 2.362 54.413 52.037 0.022 0.000 0.627 10 A CB -0.887 18.130 19.000 0.029 0.000 0.818 10 A HN 1.720 nan 8.150 nan 0.000 0.445 11 A N -0.039 122.791 122.820 0.016 0.000 2.067 11 A HA 0.002 4.327 4.320 0.008 0.000 0.219 11 A C 2.369 179.960 177.584 0.010 0.000 1.158 11 A CA 1.982 54.027 52.037 0.013 0.000 0.661 11 A CB -0.682 18.325 19.000 0.012 0.000 0.801 11 A HN 1.005 nan 8.150 nan 0.000 0.452 12 S N -1.187 114.518 115.700 0.010 0.000 2.501 12 S HA 0.127 4.602 4.470 0.008 0.000 0.220 12 S C 0.653 175.257 174.600 0.007 0.000 0.997 12 S CA 0.482 58.686 58.200 0.007 0.000 0.919 12 S CB -0.627 62.577 63.200 0.006 0.000 0.778 12 S HN 0.427 nan 8.310 nan 0.000 0.523 13 V N 2.768 122.687 119.914 0.008 0.000 2.530 13 V HA 0.360 4.485 4.120 0.008 0.000 0.282 13 V C 0.007 176.105 176.094 0.007 0.000 1.048 13 V CA -0.783 61.522 62.300 0.007 0.000 0.997 13 V CB 0.970 32.799 31.823 0.009 0.000 0.987 13 V HN 0.475 nan 8.190 nan 0.000 0.477 14 K N 4.782 125.185 120.400 0.005 0.000 2.339 14 K HA 0.466 4.791 4.320 0.008 0.000 0.286 14 K C -0.427 176.176 176.600 0.005 0.000 1.050 14 K CA 0.101 56.391 56.287 0.005 0.000 0.956 14 K CB 0.705 33.207 32.500 0.003 0.000 0.990 14 K HN 0.891 nan 8.250 nan 0.000 0.475 15 T N 1.709 116.266 114.554 0.006 0.000 2.827 15 T HA 0.377 4.733 4.350 0.008 0.000 0.328 15 T C 0.255 174.959 174.700 0.006 0.000 1.598 15 T CA 0.013 62.117 62.100 0.007 0.000 1.043 15 T CB 1.245 70.118 68.868 0.009 0.000 1.447 15 T HN 0.538 nan 8.240 nan 0.000 0.491 16 A N 1.686 124.510 122.820 0.006 0.000 1.929 16 A HA 0.345 4.671 4.320 0.008 0.000 0.216 16 A C 0.881 178.469 177.584 0.007 0.000 1.176 16 A CA 1.315 53.355 52.037 0.005 0.000 0.628 16 A CB -0.230 18.772 19.000 0.004 0.000 0.816 16 A HN 0.814 nan 8.150 nan 0.000 0.444 17 T N -0.385 114.174 114.554 0.009 0.000 3.109 17 T HA 0.467 4.822 4.350 0.008 0.000 0.311 17 T C -1.305 173.404 174.700 0.014 0.000 1.011 17 T CA -0.408 61.699 62.100 0.011 0.000 1.026 17 T CB 1.546 70.420 68.868 0.009 0.000 1.047 17 T HN 0.222 nan 8.240 nan 0.000 0.448 18 L N 4.652 125.885 121.223 0.016 0.000 2.275 18 L HA 0.744 5.089 4.340 0.008 0.000 0.288 18 L C -0.919 175.967 176.870 0.026 0.000 1.046 18 L CA -0.361 54.492 54.840 0.022 0.000 0.805 18 L CB 0.980 43.052 42.059 0.021 0.000 1.193 18 L HN 0.483 nan 8.230 nan 0.000 0.426 19 V N 6.961 126.895 119.914 0.033 0.000 2.370 19 V HA 0.517 4.642 4.120 0.008 0.000 0.283 19 V C 0.095 176.220 176.094 0.051 0.000 1.023 19 V CA -0.439 61.883 62.300 0.038 0.000 0.857 19 V CB 1.102 32.947 31.823 0.037 0.000 0.985 19 V HN 0.751 nan 8.190 nan 0.000 0.443 20 I N 3.460 124.058 120.570 0.047 0.000 2.828 20 I HA 0.819 4.994 4.170 0.008 0.000 0.302 20 I C -2.862 173.288 176.117 0.054 0.000 1.101 20 I CA -2.627 58.706 61.300 0.054 0.000 1.031 20 I CB 2.925 40.950 38.000 0.043 0.000 1.231 20 I HN 0.352 nan 8.210 nan 0.000 0.427 21 P HA 0.427 nan 4.420 nan 0.000 0.287 21 P C -1.065 176.260 177.300 0.041 0.000 1.270 21 P CA -0.550 62.586 63.100 0.060 0.000 0.844 21 P CB 2.292 34.038 31.700 0.077 0.000 1.068 22 V N 1.679 121.614 119.914 0.035 0.000 2.638 22 V HA 0.578 4.703 4.120 0.008 0.000 0.306 22 V C 0.835 176.942 176.094 0.022 0.000 1.052 22 V CA -0.536 61.779 62.300 0.025 0.000 0.885 22 V CB 1.804 33.640 31.823 0.021 0.000 0.999 22 V HN 0.813 nan 8.190 nan 0.000 0.424 23 G N 2.518 111.328 108.800 0.016 0.000 2.580 23 G HA2 0.457 4.422 3.960 0.008 0.000 0.278 23 G HA3 0.457 4.422 3.960 0.008 0.000 0.278 23 G C -0.174 174.732 174.900 0.010 0.000 1.212 23 G CA -0.453 44.655 45.100 0.012 0.000 0.939 23 G HN 0.725 nan 8.290 nan 0.000 0.513 24 E N 0.344 120.548 120.200 0.007 0.000 2.438 24 E HA -0.036 4.319 4.350 0.008 0.000 0.261 24 E C 0.065 176.668 176.600 0.004 0.000 1.103 24 E CA 0.151 56.555 56.400 0.005 0.000 0.959 24 E CB 0.265 29.966 29.700 0.003 0.000 0.958 24 E HN 0.501 nan 8.360 nan 0.000 0.447 25 N N 1.994 120.696 118.700 0.004 0.000 2.725 25 N HA -0.257 4.489 4.740 0.008 0.000 0.249 25 N C -0.701 174.811 175.510 0.004 0.000 1.103 25 N CA 1.283 54.335 53.050 0.003 0.000 0.707 25 N CB -0.954 37.534 38.487 0.002 0.000 1.043 25 N HN 0.632 nan 8.380 nan 0.000 0.553 26 R N -2.018 118.486 120.500 0.006 0.000 3.758 26 R HA -0.232 4.113 4.340 0.008 0.000 0.299 26 R C 0.203 176.507 176.300 0.007 0.000 1.182 26 R CA 1.497 57.601 56.100 0.007 0.000 0.809 26 R CB -1.449 28.854 30.300 0.006 0.000 1.249 26 R HN 0.496 nan 8.270 nan 0.000 0.497 27 K N 1.765 122.169 120.400 0.006 0.000 2.339 27 K HA 0.261 4.586 4.320 0.008 0.000 0.286 27 K C -0.311 176.294 176.600 0.008 0.000 1.050 27 K CA -0.167 56.123 56.287 0.006 0.000 0.956 27 K CB 0.530 33.032 32.500 0.003 0.000 0.990 27 K HN 0.107 nan 8.250 nan 0.000 0.475 28 L N 3.981 125.209 121.223 0.008 0.000 2.307 28 L HA 0.393 4.738 4.340 0.008 0.000 0.284 28 L C 0.954 177.830 176.870 0.009 0.000 1.023 28 L CA -1.024 53.822 54.840 0.011 0.000 0.810 28 L CB 1.646 43.713 42.059 0.012 0.000 1.231 28 L HN 0.809 nan 8.230 nan 0.000 0.423 29 G N 1.087 109.893 108.800 0.011 0.000 2.653 29 G HA2 0.322 4.287 3.960 0.008 0.000 0.265 29 G HA3 0.322 4.287 3.960 0.008 0.000 0.265 29 G C 1.016 175.924 174.900 0.013 0.000 1.237 29 G CA 0.203 45.308 45.100 0.009 0.000 0.946 29 G HN 0.827 nan 8.290 nan 0.000 0.522 30 A N -0.831 121.997 122.820 0.013 0.000 1.903 30 A HA -0.099 4.226 4.320 0.008 0.000 0.219 30 A C 2.579 180.175 177.584 0.020 0.000 1.191 30 A CA 2.372 54.418 52.037 0.015 0.000 0.638 30 A CB -0.828 18.182 19.000 0.016 0.000 0.823 30 A HN 0.575 nan 8.150 nan 0.000 0.451 31 V N -0.409 119.521 119.914 0.026 0.000 2.270 31 V HA -0.217 3.908 4.120 0.008 0.000 0.245 31 V C 3.064 179.176 176.094 0.029 0.000 1.043 31 V CA 2.018 64.337 62.300 0.032 0.000 1.014 31 V CB -1.281 30.568 31.823 0.044 0.000 0.645 31 V HN 0.641 nan 8.190 nan 0.000 0.447 32 A N -0.325 122.512 122.820 0.028 0.000 1.933 32 A HA -0.258 4.068 4.320 0.008 0.000 0.218 32 A C 2.343 179.939 177.584 0.020 0.000 1.175 32 A CA 2.137 54.190 52.037 0.026 0.000 0.628 32 A CB -0.485 18.530 19.000 0.026 0.000 0.814 32 A HN 0.539 nan 8.150 nan 0.000 0.444 33 K N -0.216 120.194 120.400 0.017 0.000 2.057 33 K HA -0.083 4.242 4.320 0.008 0.000 0.207 33 K C 2.144 178.752 176.600 0.014 0.000 1.049 33 K CA 1.215 57.510 56.287 0.014 0.000 0.931 33 K CB -0.344 32.163 32.500 0.012 0.000 0.714 33 K HN 0.346 nan 8.250 nan 0.000 0.440 34 A N 0.729 123.558 122.820 0.015 0.000 1.933 34 A HA -0.110 4.215 4.320 0.008 0.000 0.218 34 A C 2.210 179.803 177.584 0.014 0.000 1.175 34 A CA 1.674 53.719 52.037 0.014 0.000 0.628 34 A CB -0.593 18.417 19.000 0.016 0.000 0.814 34 A HN 0.188 nan 8.150 nan 0.000 0.444 35 V N 0.481 120.405 119.914 0.017 0.000 2.358 35 V HA -0.236 3.889 4.120 0.008 0.000 0.246 35 V C 2.353 178.455 176.094 0.014 0.000 1.047 35 V CA 2.351 64.661 62.300 0.016 0.000 1.035 35 V CB -0.810 31.025 31.823 0.020 0.000 0.658 35 V HN 0.685 nan 8.190 nan 0.000 0.452 36 D N 0.302 120.710 120.400 0.013 0.000 2.097 36 D HA -0.161 4.484 4.640 0.008 0.000 0.195 36 D C 2.053 178.359 176.300 0.010 0.000 0.989 36 D CA 1.518 55.525 54.000 0.011 0.000 0.827 36 D CB -0.199 40.607 40.800 0.011 0.000 0.966 36 D HN 0.368 nan 8.370 nan 0.000 0.456 37 L N 0.041 121.269 121.223 0.009 0.000 2.046 37 L HA -0.127 4.218 4.340 0.008 0.000 0.208 37 L C 2.630 179.505 176.870 0.008 0.000 1.077 37 L CA 1.194 56.039 54.840 0.008 0.000 0.747 37 L CB -0.604 41.460 42.059 0.008 0.000 0.896 37 L HN 0.070 nan 8.230 nan 0.000 0.432 38 A N 0.023 122.849 122.820 0.009 0.000 1.972 38 A HA -0.194 4.131 4.320 0.008 0.000 0.219 38 A C 2.368 179.957 177.584 0.008 0.000 1.169 38 A CA 1.801 53.843 52.037 0.008 0.000 0.635 38 A CB -0.590 18.415 19.000 0.009 0.000 0.810 38 A HN 0.515 nan 8.150 nan 0.000 0.446 39 S N -0.606 115.099 115.700 0.008 0.000 2.650 39 S HA 0.099 4.574 4.470 0.008 0.000 0.219 39 S C 0.277 174.881 174.600 0.007 0.000 0.960 39 S CA 0.710 58.915 58.200 0.008 0.000 0.925 39 S CB -0.665 62.540 63.200 0.009 0.000 0.775 39 S HN 0.604 nan 8.310 nan 0.000 0.525 40 E N -0.255 119.949 120.200 0.006 0.000 2.513 40 E HA -0.193 4.162 4.350 0.008 0.000 0.257 40 E C 0.759 177.362 176.600 0.005 0.000 1.098 40 E CA 0.249 56.652 56.400 0.005 0.000 0.752 40 E CB -2.187 27.516 29.700 0.005 0.000 1.324 40 E HN 1.039 nan 8.360 nan 0.000 0.403 41 G N -1.241 107.563 108.800 0.006 0.000 2.162 41 G HA2 -0.350 3.615 3.960 0.008 0.000 0.260 41 G HA3 -0.350 3.615 3.960 0.008 0.000 0.260 41 G C 0.988 175.891 174.900 0.006 0.000 0.976 41 G CA 0.724 45.828 45.100 0.006 0.000 0.655 41 G HN 0.875 nan 8.290 nan 0.000 0.533 42 A N -0.217 122.607 122.820 0.006 0.000 1.930 42 A HA 0.277 4.602 4.320 0.008 0.000 0.217 42 A C 2.341 179.929 177.584 0.007 0.000 1.175 42 A CA 1.799 53.839 52.037 0.006 0.000 0.627 42 A CB -0.253 18.750 19.000 0.006 0.000 0.815 42 A HN 0.746 nan 8.150 nan 0.000 0.443 43 I N 0.534 121.109 120.570 0.008 0.000 2.233 43 I HA -0.225 3.950 4.170 0.008 0.000 0.243 43 I C 2.875 178.997 176.117 0.009 0.000 1.093 43 I CA 1.510 62.815 61.300 0.009 0.000 1.380 43 I CB -0.256 37.751 38.000 0.011 0.000 1.067 43 I HN 0.476 nan 8.210 nan 0.000 0.413 44 S N 1.352 117.057 115.700 0.008 0.000 2.399 44 S HA -0.139 4.336 4.470 0.008 0.000 0.231 44 S C 2.207 176.811 174.600 0.006 0.000 1.022 44 S CA 0.859 59.063 58.200 0.007 0.000 0.983 44 S CB -0.611 62.593 63.200 0.007 0.000 0.803 44 S HN 0.404 nan 8.310 nan 0.000 0.480 45 A N 2.344 125.167 122.820 0.006 0.000 1.902 45 A HA 0.037 4.363 4.320 0.008 0.000 0.217 45 A C 2.574 180.161 177.584 0.005 0.000 1.181 45 A CA 1.855 53.895 52.037 0.005 0.000 0.623 45 A CB -1.314 17.688 19.000 0.005 0.000 0.818 45 A HN 1.003 nan 8.150 nan 0.000 0.443 46 V N -1.690 118.227 119.914 0.006 0.000 2.307 46 V HA -0.209 3.917 4.120 0.008 0.000 0.245 46 V C 2.310 178.407 176.094 0.006 0.000 1.045 46 V CA 1.938 64.242 62.300 0.006 0.000 1.024 46 V CB -1.182 30.645 31.823 0.006 0.000 0.651 46 V HN 0.435 nan 8.190 nan 0.000 0.449 47 L N 0.004 121.231 121.223 0.007 0.000 2.127 47 L HA -0.175 4.170 4.340 0.008 0.000 0.211 47 L C 2.860 179.733 176.870 0.005 0.000 1.089 47 L CA 2.255 57.099 54.840 0.007 0.000 0.757 47 L CB -0.692 41.371 42.059 0.008 0.000 0.899 47 L HN 0.379 nan 8.230 nan 0.000 0.434 48 K N 0.323 120.726 120.400 0.005 0.000 2.209 48 K HA -0.148 4.177 4.320 0.008 0.000 0.204 48 K C 2.101 178.703 176.600 0.004 0.000 1.048 48 K CA 1.008 57.297 56.287 0.004 0.000 0.940 48 K CB 0.094 32.597 32.500 0.004 0.000 0.729 48 K HN 0.268 nan 8.250 nan 0.000 0.451 49 R N -1.010 119.493 120.500 0.004 0.000 2.280 49 R HA -0.008 4.337 4.340 0.008 0.000 0.207 49 R C 1.157 177.459 176.300 0.003 0.000 1.043 49 R CA 0.843 56.945 56.100 0.003 0.000 1.006 49 R CB 0.146 30.448 30.300 0.003 0.000 0.885 49 R HN 0.470 nan 8.270 nan 0.000 0.467 50 G N 1.351 110.153 108.800 0.004 0.000 2.157 50 G HA2 -0.236 3.729 3.960 0.008 0.000 0.248 50 G HA3 -0.236 3.729 3.960 0.008 0.000 0.248 50 G C 0.318 175.221 174.900 0.004 0.000 0.979 50 G CA 0.378 45.481 45.100 0.004 0.000 0.650 50 G HN 0.264 nan 8.290 nan 0.000 0.529 51 D N -0.637 119.766 120.400 0.004 0.000 2.219 51 D HA 0.043 4.688 4.640 0.008 0.000 0.205 51 D C 1.263 177.566 176.300 0.005 0.000 0.970 51 D CA 0.787 54.790 54.000 0.004 0.000 0.851 51 D CB 0.161 40.964 40.800 0.004 0.000 0.943 51 D HN 0.484 nan 8.370 nan 0.000 0.488 52 L N 0.345 121.572 121.223 0.006 0.000 2.277 52 L HA 0.465 4.810 4.340 0.008 0.000 0.284 52 L C 0.819 177.693 176.870 0.007 0.000 1.028 52 L CA -0.489 54.355 54.840 0.007 0.000 0.835 52 L CB 1.154 43.218 42.059 0.008 0.000 1.215 52 L HN -0.153 nan 8.230 nan 0.000 0.425 53 A N 3.688 126.511 122.820 0.006 0.000 2.167 53 A HA 0.376 4.701 4.320 0.008 0.000 0.214 53 A C 1.580 179.169 177.584 0.007 0.000 1.151 53 A CA 0.657 52.697 52.037 0.005 0.000 0.735 53 A CB -0.705 18.297 19.000 0.004 0.000 0.802 53 A HN 1.595 nan 8.150 nan 0.000 0.467 54 G N -0.561 108.244 108.800 0.009 0.000 2.143 54 G HA2 -0.269 3.696 3.960 0.008 0.000 0.249 54 G HA3 -0.269 3.696 3.960 0.008 0.000 0.249 54 G C 0.155 175.063 174.900 0.013 0.000 0.981 54 G CA 0.429 45.536 45.100 0.012 0.000 0.665 54 G HN 0.607 nan 8.290 nan 0.000 0.528 55 K N 0.814 121.220 120.400 0.010 0.000 2.414 55 K HA 0.311 4.636 4.320 0.008 0.000 0.272 55 K C -2.275 174.335 176.600 0.016 0.000 0.993 55 K CA -1.399 54.894 56.287 0.011 0.000 0.964 55 K CB 0.381 32.885 32.500 0.006 0.000 0.925 55 K HN 0.026 nan 8.250 nan 0.000 0.487 56 P HA -0.120 nan 4.420 nan 0.000 0.260 56 P C 0.595 177.908 177.300 0.021 0.000 1.172 56 P CA 1.150 64.269 63.100 0.031 0.000 0.760 56 P CB 0.358 32.080 31.700 0.036 0.000 0.773 57 G N 2.030 110.843 108.800 0.021 0.000 2.205 57 G HA2 -0.276 3.689 3.960 0.008 0.000 0.261 57 G HA3 -0.276 3.689 3.960 0.008 0.000 0.261 57 G C 0.225 175.127 174.900 0.003 0.000 0.980 57 G CA -0.288 44.814 45.100 0.004 0.000 0.632 57 G HN 0.562 nan 8.290 nan 0.000 0.533 58 Q N 1.105 120.909 119.800 0.007 0.000 2.395 58 Q HA 0.473 4.818 4.340 0.008 0.000 0.271 58 Q C 0.609 176.613 176.000 0.008 0.000 1.026 58 Q CA 1.133 56.940 55.803 0.006 0.000 0.900 58 Q CB 0.609 29.352 28.738 0.007 0.000 1.266 58 Q HN 0.612 nan 8.270 nan 0.000 0.430 59 T N -0.752 113.806 114.554 0.006 0.000 2.906 59 T HA 0.741 5.096 4.350 0.008 0.000 0.295 59 T C -0.944 173.760 174.700 0.007 0.000 1.061 59 T CA -0.947 61.157 62.100 0.006 0.000 1.000 59 T CB 1.202 70.072 68.868 0.003 0.000 1.103 59 T HN 0.517 nan 8.240 nan 0.000 0.486 60 L N 2.139 123.367 121.223 0.008 0.000 2.476 60 L HA 0.698 5.043 4.340 0.008 0.000 0.269 60 L C -1.922 174.953 176.870 0.008 0.000 0.965 60 L CA -1.185 53.660 54.840 0.007 0.000 0.845 60 L CB 1.864 43.928 42.059 0.008 0.000 1.259 60 L HN 0.770 nan 8.230 nan 0.000 0.403 61 L N 5.525 126.752 121.223 0.007 0.000 2.296 61 L HA 0.621 4.966 4.340 0.008 0.000 0.286 61 L C -1.201 175.673 176.870 0.007 0.000 1.023 61 L CA -0.010 54.834 54.840 0.007 0.000 0.812 61 L CB 1.413 43.475 42.059 0.005 0.000 1.223 61 L HN 0.547 nan 8.230 nan 0.000 0.421 62 L N 4.419 125.646 121.223 0.007 0.000 2.334 62 L HA 0.630 4.975 4.340 0.008 0.000 0.270 62 L C -0.318 176.555 176.870 0.006 0.000 1.018 62 L CA -0.789 54.055 54.840 0.007 0.000 0.811 62 L CB 1.700 43.764 42.059 0.008 0.000 1.271 62 L HN 0.570 nan 8.230 nan 0.000 0.443 63 Q N 0.651 120.454 119.800 0.006 0.000 2.484 63 Q HA 0.315 4.660 4.340 0.008 0.000 0.285 63 Q C -1.172 174.831 176.000 0.005 0.000 1.097 63 Q CA -1.188 54.618 55.803 0.005 0.000 0.802 63 Q CB 1.753 30.494 28.738 0.004 0.000 1.444 63 Q HN 0.640 nan 8.270 nan 0.000 0.429 64 N N 1.122 119.825 118.700 0.005 0.000 2.138 64 N HA -0.101 4.644 4.740 0.008 0.000 0.271 64 N C -0.856 174.657 175.510 0.005 0.000 1.272 64 N CA 0.755 53.808 53.050 0.005 0.000 0.819 64 N CB 0.228 38.717 38.487 0.004 0.000 1.052 64 N HN 0.445 nan 8.380 nan 0.000 0.479 65 L N 0.381 121.608 121.223 0.006 0.000 2.341 65 L HA 0.311 4.657 4.340 0.008 0.000 0.278 65 L C 0.739 177.613 176.870 0.006 0.000 1.005 65 L CA -0.944 53.900 54.840 0.006 0.000 0.818 65 L CB 1.551 43.614 42.059 0.007 0.000 1.259 65 L HN 0.581 nan 8.230 nan 0.000 0.418 66 Q N 1.725 121.528 119.800 0.005 0.000 2.286 66 Q HA 0.200 4.545 4.340 0.008 0.000 0.290 66 Q C 1.033 177.036 176.000 0.005 0.000 1.049 66 Q CA 1.426 57.231 55.803 0.005 0.000 0.923 66 Q CB 0.489 29.229 28.738 0.004 0.000 1.183 66 Q HN 0.907 nan 8.270 nan 0.000 0.383 67 G N 3.008 111.811 108.800 0.005 0.000 2.232 67 G HA2 -0.212 3.753 3.960 0.008 0.000 0.226 67 G HA3 -0.212 3.753 3.960 0.008 0.000 0.226 67 G C -0.206 174.698 174.900 0.006 0.000 0.996 67 G CA 0.005 45.109 45.100 0.006 0.000 0.626 67 G HN 0.521 nan 8.290 nan 0.000 0.509 68 L N -0.043 121.184 121.223 0.007 0.000 2.330 68 L HA 0.566 4.911 4.340 0.008 0.000 0.271 68 L C 1.257 178.131 176.870 0.007 0.000 1.013 68 L CA -0.985 53.859 54.840 0.008 0.000 0.816 68 L CB 1.691 43.756 42.059 0.009 0.000 1.287 68 L HN -0.034 nan 8.230 nan 0.000 0.435 69 K N 1.000 121.405 120.400 0.007 0.000 2.379 69 K HA 0.216 4.541 4.320 0.008 0.000 0.194 69 K C 0.474 177.078 176.600 0.007 0.000 1.031 69 K CA -0.043 56.248 56.287 0.006 0.000 1.037 69 K CB 0.566 33.069 32.500 0.006 0.000 0.824 69 K HN 0.668 nan 8.250 nan 0.000 0.516 70 A N 1.612 124.437 122.820 0.008 0.000 2.401 70 A HA 0.058 4.383 4.320 0.008 0.000 0.259 70 A C 0.624 178.213 177.584 0.007 0.000 1.103 70 A CA -0.227 51.815 52.037 0.009 0.000 0.789 70 A CB 0.388 19.394 19.000 0.011 0.000 1.035 70 A HN 0.211 nan 8.150 nan 0.000 0.491 71 E N 0.885 121.089 120.200 0.007 0.000 2.152 71 E HA -0.071 4.284 4.350 0.008 0.000 0.192 71 E C 0.183 176.786 176.600 0.006 0.000 0.983 71 E CA 0.882 57.285 56.400 0.005 0.000 0.818 71 E CB 0.122 29.825 29.700 0.004 0.000 0.758 71 E HN 0.663 nan 8.360 nan 0.000 0.467 72 R N -0.324 120.180 120.500 0.007 0.000 2.740 72 R HA 0.515 4.860 4.340 0.008 0.000 0.273 72 R C -1.446 174.860 176.300 0.010 0.000 0.998 72 R CA -0.673 55.431 56.100 0.008 0.000 0.900 72 R CB 2.588 32.892 30.300 0.007 0.000 1.223 72 R HN -0.190 nan 8.270 nan 0.000 0.466 73 V N 2.666 122.586 119.914 0.011 0.000 2.483 73 V HA 0.343 4.468 4.120 0.008 0.000 0.297 73 V C -1.139 174.963 176.094 0.013 0.000 1.027 73 V CA -0.798 61.510 62.300 0.013 0.000 0.855 73 V CB 1.773 33.604 31.823 0.014 0.000 0.995 73 V HN 0.480 nan 8.190 nan 0.000 0.424 74 L N 6.732 127.965 121.223 0.015 0.000 2.265 74 L HA 0.587 4.932 4.340 0.008 0.000 0.289 74 L C -0.521 176.361 176.870 0.019 0.000 1.033 74 L CA 0.151 54.999 54.840 0.015 0.000 0.814 74 L CB 0.982 43.048 42.059 0.013 0.000 1.203 74 L HN 0.529 nan 8.230 nan 0.000 0.423 75 L N 6.050 127.284 121.223 0.018 0.000 2.305 75 L HA 0.538 4.883 4.340 0.008 0.000 0.281 75 L C -0.299 176.583 176.870 0.021 0.000 1.085 75 L CA -0.624 54.229 54.840 0.021 0.000 0.813 75 L CB 1.473 43.543 42.059 0.018 0.000 1.157 75 L HN 0.442 nan 8.230 nan 0.000 0.436 76 V N 2.751 122.682 119.914 0.028 0.000 2.588 76 V HA 0.656 4.781 4.120 0.008 0.000 0.304 76 V C 0.430 176.545 176.094 0.035 0.000 1.042 76 V CA -0.353 61.964 62.300 0.028 0.000 0.877 76 V CB 1.927 33.767 31.823 0.029 0.000 0.996 76 V HN 0.818 nan 8.190 nan 0.000 0.425 77 G N 3.751 112.569 108.800 0.029 0.000 2.340 77 G HA2 0.346 4.311 3.960 0.008 0.000 0.245 77 G HA3 0.346 4.311 3.960 0.008 0.000 0.245 77 G C 0.744 175.671 174.900 0.044 0.000 1.294 77 G CA 0.362 45.480 45.100 0.030 0.000 0.896 77 G HN 1.393 nan 8.290 nan 0.000 0.522 78 S N 1.095 116.821 115.700 0.043 0.000 2.603 78 S HA 0.523 4.999 4.470 0.008 0.000 0.232 78 S C 1.268 175.888 174.600 0.034 0.000 1.016 78 S CA 0.584 58.817 58.200 0.054 0.000 0.976 78 S CB -0.028 63.204 63.200 0.053 0.000 0.921 78 S HN 2.264 nan 8.310 nan 0.000 0.516 79 G N 1.899 110.713 108.800 0.024 0.000 2.632 79 G HA2 -0.190 3.775 3.960 0.008 0.000 0.224 79 G HA3 -0.190 3.775 3.960 0.008 0.000 0.224 79 G C -0.641 174.262 174.900 0.006 0.000 1.341 79 G CA -0.455 44.653 45.100 0.013 0.000 0.880 79 G HN 0.544 nan 8.290 nan 0.000 0.566 80 K N -0.165 120.235 120.400 0.000 0.000 2.132 80 K HA 0.339 4.664 4.320 0.008 0.000 0.240 80 K C 0.138 176.733 176.600 -0.009 0.000 1.036 80 K CA -0.075 56.210 56.287 -0.004 0.000 0.888 80 K CB 0.312 32.808 32.500 -0.006 0.000 1.071 80 K HN 0.421 nan 8.250 nan 0.000 0.502 81 D N 2.351 122.744 120.400 -0.012 0.000 2.934 81 D HA -0.020 4.625 4.640 0.008 0.000 0.237 81 D C -0.792 175.493 176.300 -0.024 0.000 1.158 81 D CA 0.099 54.089 54.000 -0.018 0.000 0.971 81 D CB -0.451 40.340 40.800 -0.015 0.000 1.123 81 D HN 0.405 nan 8.370 nan 0.000 0.467 82 E N -1.262 118.921 120.200 -0.028 0.000 2.312 82 E HA 0.681 5.036 4.350 0.008 0.000 0.267 82 E C -0.824 175.746 176.600 -0.049 0.000 0.894 82 E CA -1.392 54.987 56.400 -0.035 0.000 0.773 82 E CB 1.297 30.981 29.700 -0.027 0.000 1.241 82 E HN -0.010 nan 8.360 nan 0.000 0.432 83 A N 2.845 125.627 122.820 -0.062 0.000 2.498 83 A HA 0.230 4.555 4.320 0.008 0.000 0.239 83 A C 0.164 177.705 177.584 -0.073 0.000 1.068 83 A CA -0.229 51.754 52.037 -0.090 0.000 0.766 83 A CB -0.056 18.885 19.000 -0.099 0.000 1.003 83 A HN 0.575 nan 8.150 nan 0.000 0.497 84 L N 2.252 123.420 121.223 -0.091 0.000 2.395 84 L HA 0.441 4.786 4.340 0.008 0.000 0.269 84 L C 1.304 178.153 176.870 -0.035 0.000 1.133 84 L CA -0.392 54.426 54.840 -0.037 0.000 0.812 84 L CB 0.784 42.850 42.059 0.012 0.000 1.125 84 L HN 0.871 nan 8.230 nan 0.000 0.452 85 G N 0.336 109.138 108.800 0.003 0.000 2.599 85 G HA2 0.061 4.027 3.960 0.008 0.000 0.264 85 G HA3 0.061 4.027 3.960 0.008 0.000 0.264 85 G C 0.325 175.261 174.900 0.059 0.000 1.200 85 G CA -0.381 44.724 45.100 0.009 0.000 0.896 85 G HN 0.712 nan 8.290 nan 0.000 0.536 86 D N -0.290 120.144 120.400 0.056 0.000 2.123 86 D HA -0.115 4.530 4.640 0.008 0.000 0.196 86 D C 2.435 178.802 176.300 0.111 0.000 0.992 86 D CA 0.937 55.004 54.000 0.111 0.000 0.833 86 D CB 0.054 40.894 40.800 0.067 0.000 0.954 86 D HN 0.325 nan 8.370 nan 0.000 0.455 87 R N 0.203 120.732 120.500 0.048 0.000 2.075 87 R HA -0.018 4.327 4.340 0.008 0.000 0.232 87 R C 2.150 178.468 176.300 0.031 0.000 1.126 87 R CA 1.481 57.591 56.100 0.016 0.000 0.963 87 R CB -0.828 29.458 30.300 -0.024 0.000 0.858 87 R HN 0.082 nan 8.270 nan 0.000 0.435 88 T N -0.064 114.524 114.554 0.057 0.000 2.746 88 T HA -0.172 4.183 4.350 0.008 0.000 0.267 88 T C 1.366 176.145 174.700 0.132 0.000 1.039 88 T CA 1.282 63.423 62.100 0.069 0.000 1.142 88 T CB -0.425 68.481 68.868 0.063 0.000 0.866 88 T HN 0.487 nan 8.240 nan 0.000 0.444 89 W N 2.351 123.620 121.300 -0.053 0.000 2.355 89 W HA -0.164 4.501 4.660 0.008 0.000 0.309 89 W C 2.172 178.657 176.519 -0.057 0.000 1.206 89 W CA 0.875 58.182 57.345 -0.064 0.000 1.284 89 W CB -0.150 29.260 29.460 -0.083 0.000 1.145 89 W HN 0.169 nan 8.180 nan 0.000 0.502 90 R N 0.323 120.741 120.500 -0.136 0.000 2.092 90 R HA -0.114 4.231 4.340 0.008 0.000 0.231 90 R C 2.293 178.463 176.300 -0.217 0.000 1.119 90 R CA 1.410 57.335 56.100 -0.291 0.000 0.970 90 R CB -0.397 29.817 30.300 -0.144 0.000 0.864 90 R HN 0.162 nan 8.270 nan 0.000 0.440 91 K N 0.852 121.185 120.400 -0.112 0.000 2.148 91 K HA -0.109 4.217 4.320 0.008 0.000 0.204 91 K C 2.133 178.673 176.600 -0.100 0.000 1.050 91 K CA 0.846 57.083 56.287 -0.085 0.000 0.942 91 K CB -0.142 32.334 32.500 -0.040 0.000 0.724 91 K HN 0.165 nan 8.250 nan 0.000 0.446 92 L N 0.938 122.097 121.223 -0.106 0.000 2.017 92 L HA -0.203 4.143 4.340 0.008 0.000 0.208 92 L C 2.078 178.831 176.870 -0.195 0.000 1.073 92 L CA 1.202 55.983 54.840 -0.098 0.000 0.745 92 L CB -0.177 41.879 42.059 -0.005 0.000 0.894 92 L HN -0.072 nan 8.230 nan 0.000 0.432 93 V N 0.437 120.120 119.914 -0.384 0.000 2.332 93 V HA -0.308 3.817 4.120 0.008 0.000 0.248 93 V C 2.857 178.825 176.094 -0.210 0.000 1.055 93 V CA 1.759 63.828 62.300 -0.386 0.000 1.038 93 V CB -1.224 30.246 31.823 -0.589 0.000 0.651 93 V HN 0.621 nan 8.190 nan 0.000 0.450 94 A N -0.432 122.284 122.820 -0.175 0.000 1.933 94 A HA -0.203 4.122 4.320 0.008 0.000 0.218 94 A C 2.482 180.024 177.584 -0.071 0.000 1.175 94 A CA 2.190 54.166 52.037 -0.103 0.000 0.628 94 A CB -0.654 18.297 19.000 -0.082 0.000 0.814 94 A HN 0.511 nan 8.150 nan 0.000 0.444 95 S N -0.440 115.218 115.700 -0.071 0.000 2.356 95 S HA -0.134 4.341 4.470 0.008 0.000 0.223 95 S C 1.907 176.484 174.600 -0.039 0.000 1.032 95 S CA 1.425 59.598 58.200 -0.045 0.000 1.005 95 S CB -0.489 62.689 63.200 -0.036 0.000 0.867 95 S HN 0.355 nan 8.310 nan 0.000 0.449 96 V N 2.055 121.937 119.914 -0.054 0.000 2.287 96 V HA -0.232 3.893 4.120 0.008 0.000 0.248 96 V C 2.650 178.725 176.094 -0.033 0.000 1.053 96 V CA 1.797 64.073 62.300 -0.039 0.000 1.027 96 V CB -1.211 30.582 31.823 -0.050 0.000 0.646 96 V HN 0.549 nan 8.190 nan 0.000 0.447 97 A N 0.387 123.180 122.820 -0.045 0.000 1.902 97 A HA -0.088 4.237 4.320 0.008 0.000 0.217 97 A C 2.424 179.998 177.584 -0.017 0.000 1.181 97 A CA 1.913 53.932 52.037 -0.031 0.000 0.623 97 A CB -1.224 17.753 19.000 -0.038 0.000 0.818 97 A HN 0.537 nan 8.150 nan 0.000 0.443 98 G N -0.494 108.294 108.800 -0.019 0.000 2.440 98 G HA2 -0.138 3.827 3.960 0.008 0.000 0.218 98 G HA3 -0.138 3.827 3.960 0.008 0.000 0.218 98 G C 1.518 176.414 174.900 -0.006 0.000 1.154 98 G CA 1.308 46.402 45.100 -0.009 0.000 0.767 98 G HN 0.321 nan 8.290 nan 0.000 0.552 99 V N 1.050 120.959 119.914 -0.008 0.000 2.295 99 V HA -0.127 3.998 4.120 0.008 0.000 0.246 99 V C 2.935 179.027 176.094 -0.003 0.000 1.049 99 V CA 1.537 63.834 62.300 -0.004 0.000 1.024 99 V CB -0.499 31.322 31.823 -0.004 0.000 0.648 99 V HN 0.352 nan 8.190 nan 0.000 0.447 100 L N -0.452 120.769 121.223 -0.004 0.000 2.079 100 L HA -0.226 4.119 4.340 0.008 0.000 0.210 100 L C 2.556 179.425 176.870 -0.001 0.000 1.081 100 L CA 1.725 56.564 54.840 -0.002 0.000 0.752 100 L CB -0.718 41.340 42.059 -0.002 0.000 0.896 100 L HN 0.297 nan 8.230 nan 0.000 0.433 101 K N -0.039 120.360 120.400 -0.001 0.000 2.209 101 K HA -0.102 4.224 4.320 0.008 0.000 0.204 101 K C 1.956 178.557 176.600 0.001 0.000 1.048 101 K CA 1.158 57.446 56.287 0.001 0.000 0.940 101 K CB -0.281 32.221 32.500 0.003 0.000 0.729 101 K HN 0.418 nan 8.250 nan 0.000 0.451 102 G N 0.591 109.391 108.800 0.000 0.000 2.777 102 G HA2 0.066 4.031 3.960 0.008 0.000 0.211 102 G HA3 0.066 4.031 3.960 0.008 0.000 0.211 102 G C 0.590 175.490 174.900 0.000 0.000 1.149 102 G CA -0.140 44.960 45.100 0.000 0.000 0.785 102 G HN -0.009 nan 8.290 nan 0.000 0.536 103 L N -0.206 121.017 121.223 0.000 0.000 2.454 103 L HA 0.307 4.652 4.340 0.008 0.000 0.256 103 L C 0.869 177.739 176.870 -0.000 0.000 1.136 103 L CA -0.673 54.167 54.840 0.000 0.000 0.804 103 L CB 0.853 42.913 42.059 0.001 0.000 1.181 103 L HN -0.052 nan 8.230 nan 0.000 0.469 104 N N 0.036 118.735 118.700 -0.000 0.000 2.327 104 N HA 0.120 4.865 4.740 0.008 0.000 0.231 104 N C -0.034 175.476 175.510 -0.001 0.000 1.130 104 N CA -0.160 52.889 53.050 -0.001 0.000 0.845 104 N CB 0.292 38.778 38.487 -0.002 0.000 1.073 104 N HN 0.682 nan 8.380 nan 0.000 0.496 105 G N -1.089 107.711 108.800 0.000 0.000 2.372 105 G HA2 0.478 4.443 3.960 0.008 0.000 0.283 105 G HA3 0.478 4.443 3.960 0.008 0.000 0.283 105 G C 0.751 175.651 174.900 0.001 0.000 1.177 105 G CA -0.249 44.852 45.100 0.001 0.000 0.842 105 G HN 0.273 nan 8.290 nan 0.000 0.503 106 A N 1.820 124.641 122.820 0.001 0.000 2.072 106 A HA 0.250 4.576 4.320 0.008 0.000 0.216 106 A C 1.015 178.600 177.584 0.002 0.000 1.156 106 A CA 1.430 53.467 52.037 0.000 0.000 0.701 106 A CB -0.119 18.881 19.000 -0.001 0.000 0.816 106 A HN 0.725 nan 8.150 nan 0.000 0.458 107 D N -2.827 117.575 120.400 0.003 0.000 2.610 107 D HA 0.702 5.347 4.640 0.008 0.000 0.271 107 D C -0.664 175.640 176.300 0.007 0.000 1.174 107 D CA -0.041 53.962 54.000 0.005 0.000 0.949 107 D CB 1.161 41.964 40.800 0.005 0.000 1.430 107 D HN 0.379 nan 8.370 nan 0.000 0.467 108 A N -0.542 122.284 122.820 0.009 0.000 2.606 108 A HA 0.640 4.965 4.320 0.008 0.000 0.293 108 A C -1.681 175.913 177.584 0.017 0.000 1.082 108 A CA -0.727 51.317 52.037 0.012 0.000 0.685 108 A CB 1.804 20.811 19.000 0.012 0.000 1.284 108 A HN 0.448 nan 8.150 nan 0.000 0.408 109 V N 1.787 121.713 119.914 0.021 0.000 2.444 109 V HA 0.417 4.542 4.120 0.008 0.000 0.294 109 V C -0.594 175.525 176.094 0.041 0.000 1.022 109 V CA -0.294 62.023 62.300 0.028 0.000 0.850 109 V CB 1.369 33.206 31.823 0.024 0.000 0.992 109 V HN 0.693 nan 8.190 nan 0.000 0.426 110 L N 4.516 125.774 121.223 0.057 0.000 2.257 110 L HA 0.684 5.029 4.340 0.008 0.000 0.290 110 L C 0.517 177.454 176.870 0.111 0.000 1.044 110 L CA -0.379 54.514 54.840 0.089 0.000 0.810 110 L CB 1.384 43.512 42.059 0.115 0.000 1.193 110 L HN 0.724 nan 8.230 nan 0.000 0.425 111 A N 4.976 127.859 122.820 0.105 0.000 3.056 111 A HA 0.529 4.854 4.320 0.008 0.000 0.328 111 A C 0.106 177.770 177.584 0.134 0.000 1.233 111 A CA -0.294 51.808 52.037 0.108 0.000 0.965 111 A CB -0.094 18.948 19.000 0.071 0.000 1.123 111 A HN 0.614 nan 8.150 nan 0.000 0.502 112 L N 0.285 121.629 121.223 0.203 0.000 2.872 112 L HA 0.214 4.559 4.340 0.008 0.000 0.245 112 L C 1.337 178.319 176.870 0.187 0.000 1.211 112 L CA 0.483 55.453 54.840 0.217 0.000 1.013 112 L CB -0.100 42.160 42.059 0.334 0.000 1.326 112 L HN 0.609 nan 8.230 nan 0.000 0.525 113 D N 0.351 120.858 120.400 0.178 0.000 2.182 113 D HA -0.215 4.430 4.640 0.008 0.000 0.201 113 D C 1.302 177.627 176.300 0.041 0.000 0.986 113 D CA 1.365 55.455 54.000 0.150 0.000 0.847 113 D CB 0.374 41.257 40.800 0.138 0.000 0.942 113 D HN 0.242 nan 8.370 nan 0.000 0.467 114 D N -0.509 119.908 120.400 0.027 0.000 2.355 114 D HA -0.009 4.636 4.640 0.008 0.000 0.218 114 D C 0.013 176.275 176.300 -0.063 0.000 1.004 114 D CA 0.114 54.106 54.000 -0.013 0.000 0.880 114 D CB 0.329 41.132 40.800 0.005 0.000 0.911 114 D HN 0.097 nan 8.370 nan 0.000 0.528 115 V N 1.623 121.478 119.914 -0.098 0.000 2.470 115 V HA 0.327 4.452 4.120 0.008 0.000 0.276 115 V C 0.599 176.484 176.094 -0.348 0.000 1.040 115 V CA -0.758 61.425 62.300 -0.195 0.000 1.008 115 V CB 0.814 32.522 31.823 -0.192 0.000 0.990 115 V HN 0.055 nan 8.190 nan 0.000 0.477 116 A N 5.582 128.238 122.820 -0.275 0.000 2.309 116 A HA 0.728 5.053 4.320 0.008 0.000 0.298 116 A C -0.443 176.920 177.584 -0.370 0.000 1.165 116 A CA -0.427 51.432 52.037 -0.295 0.000 0.821 116 A CB 0.927 19.820 19.000 -0.180 0.000 1.102 116 A HN 0.673 nan 8.150 nan 0.000 0.500 117 V N 3.387 123.041 119.914 -0.434 0.000 2.409 117 V HA 0.185 4.310 4.120 0.008 0.000 0.291 117 V C 0.260 176.217 176.094 -0.228 0.000 1.020 117 V CA -1.004 61.052 62.300 -0.407 0.000 0.848 117 V CB 1.311 32.735 31.823 -0.666 0.000 0.990 117 V HN 0.967 nan 8.190 nan 0.000 0.430 118 N N 4.183 122.794 118.700 -0.149 0.000 2.359 118 N HA -0.066 4.679 4.740 0.008 0.000 0.261 118 N C 0.889 176.355 175.510 -0.072 0.000 1.267 118 N CA 1.043 54.038 53.050 -0.091 0.000 0.864 118 N CB -0.241 38.210 38.487 -0.060 0.000 1.063 118 N HN 0.773 nan 8.380 nan 0.000 0.474 119 N N 0.856 119.521 118.700 -0.057 0.000 2.681 119 N HA -0.242 4.503 4.740 0.008 0.000 0.250 119 N C -1.335 174.155 175.510 -0.033 0.000 1.133 119 N CA 0.979 54.008 53.050 -0.035 0.000 0.732 119 N CB -0.423 38.055 38.487 -0.015 0.000 1.107 119 N HN 0.553 nan 8.380 nan 0.000 0.559 120 R N 0.582 121.042 120.500 -0.066 0.000 2.599 120 R HA 0.265 4.610 4.340 0.008 0.000 0.295 120 R C -0.483 175.772 176.300 -0.075 0.000 0.963 120 R CA -0.646 55.419 56.100 -0.058 0.000 0.883 120 R CB 1.186 31.425 30.300 -0.103 0.000 1.171 120 R HN 0.267 nan 8.270 nan 0.000 0.450 121 D N 1.046 121.435 120.400 -0.019 0.000 2.357 121 D HA 0.064 4.709 4.640 0.008 0.000 0.242 121 D C 0.754 176.991 176.300 -0.104 0.000 1.153 121 D CA -0.435 53.544 54.000 -0.035 0.000 0.918 121 D CB 0.777 41.605 40.800 0.046 0.000 1.181 121 D HN 0.479 nan 8.370 nan 0.000 0.435 122 A N 0.923 123.608 122.820 -0.226 0.000 2.209 122 A HA -0.116 4.209 4.320 0.008 0.000 0.212 122 A C 1.279 178.689 177.584 -0.291 0.000 1.158 122 A CA 0.818 52.644 52.037 -0.352 0.000 0.742 122 A CB -0.544 18.188 19.000 -0.446 0.000 0.790 122 A HN 0.661 nan 8.150 nan 0.000 0.472 123 H N -3.780 115.406 119.070 0.193 0.000 2.426 123 H HA 0.112 4.674 4.556 0.009 0.000 0.286 123 H C 1.677 177.205 175.328 0.333 0.000 0.990 123 H CA 1.285 57.499 56.048 0.277 0.000 1.237 123 H CB -0.445 29.411 29.762 0.157 0.000 1.466 123 H HN 0.538 nan 8.280 nan 0.000 0.525 124 Y N 1.482 121.926 120.300 0.241 0.000 2.222 124 Y HA 0.167 4.721 4.550 0.008 0.000 0.290 124 Y C 2.637 178.634 175.900 0.163 0.000 1.123 124 Y CA 1.481 59.690 58.100 0.182 0.000 1.120 124 Y CB -0.509 38.026 38.460 0.124 0.000 1.060 124 Y HN 0.131 nan 8.280 nan 0.000 0.508 125 G N 0.519 109.389 108.800 0.116 0.000 2.418 125 G HA2 -0.309 3.656 3.960 0.008 0.000 0.217 125 G HA3 -0.309 3.656 3.960 0.008 0.000 0.217 125 G C 1.697 176.571 174.900 -0.043 0.000 1.158 125 G CA 1.063 46.160 45.100 -0.005 0.000 0.771 125 G HN 0.407 nan 8.290 nan 0.000 0.545 126 K N -0.683 119.676 120.400 -0.069 0.000 2.063 126 K HA -0.127 4.198 4.320 0.008 0.000 0.208 126 K C 2.104 178.679 176.600 -0.042 0.000 1.048 126 K CA 1.290 57.465 56.287 -0.187 0.000 0.928 126 K CB -0.319 31.903 32.500 -0.464 0.000 0.713 126 K HN 0.403 nan 8.250 nan 0.000 0.442 127 Y N 0.364 120.725 120.300 0.102 0.000 2.490 127 Y HA 0.099 4.654 4.550 0.009 0.000 0.285 127 Y C 2.296 178.194 175.900 -0.004 0.000 1.117 127 Y CA 0.199 58.362 58.100 0.106 0.000 1.262 127 Y CB 0.167 38.677 38.460 0.083 0.000 1.043 127 Y HN -0.017 nan 8.280 nan 0.000 0.553 128 R N -0.088 120.392 120.500 -0.035 0.000 2.103 128 R HA -0.170 4.175 4.340 0.008 0.000 0.242 128 R C 1.881 178.178 176.300 -0.005 0.000 1.142 128 R CA 1.219 57.254 56.100 -0.109 0.000 0.960 128 R CB -0.844 29.296 30.300 -0.268 0.000 0.858 128 R HN 0.331 nan 8.270 nan 0.000 0.439 129 L N 0.369 121.619 121.223 0.045 0.000 2.044 129 L HA -0.068 4.277 4.340 0.008 0.000 0.205 129 L C 2.489 179.335 176.870 -0.040 0.000 1.075 129 L CA 1.086 55.954 54.840 0.047 0.000 0.747 129 L CB -0.823 41.333 42.059 0.162 0.000 0.903 129 L HN 0.122 nan 8.230 nan 0.000 0.435 130 L N -0.801 120.413 121.223 -0.016 0.000 2.017 130 L HA -0.214 4.131 4.340 0.008 0.000 0.208 130 L C 2.514 179.353 176.870 -0.051 0.000 1.073 130 L CA 1.704 56.443 54.840 -0.168 0.000 0.745 130 L CB -0.343 41.685 42.059 -0.051 0.000 0.894 130 L HN 0.233 nan 8.230 nan 0.000 0.432 131 A N -0.579 122.271 122.820 0.051 0.000 1.873 131 A HA -0.273 4.052 4.320 0.008 0.000 0.215 131 A C 2.237 179.831 177.584 0.016 0.000 1.186 131 A CA 1.751 53.818 52.037 0.050 0.000 0.616 131 A CB -0.744 18.302 19.000 0.076 0.000 0.823 131 A HN 0.633 nan 8.150 nan 0.000 0.442 132 E N -0.751 119.454 120.200 0.008 0.000 2.085 132 E HA -0.180 4.176 4.350 0.008 0.000 0.194 132 E C 1.974 178.563 176.600 -0.018 0.000 0.994 132 E CA 1.728 58.129 56.400 0.002 0.000 0.801 132 E CB -0.182 29.519 29.700 0.002 0.000 0.743 132 E HN 0.538 nan 8.360 nan 0.000 0.453 133 T N 1.403 115.924 114.554 -0.054 0.000 2.708 133 T HA -0.175 4.180 4.350 0.008 0.000 0.266 133 T C 1.763 176.429 174.700 -0.056 0.000 1.037 133 T CA 1.238 63.292 62.100 -0.076 0.000 1.146 133 T CB -0.304 68.474 68.868 -0.149 0.000 0.865 133 T HN 0.130 nan 8.240 nan 0.000 0.435 134 L N 0.815 122.004 121.223 -0.057 0.000 2.017 134 L HA 0.017 4.362 4.340 0.008 0.000 0.208 134 L C 2.154 179.026 176.870 0.003 0.000 1.073 134 L CA 1.692 56.513 54.840 -0.031 0.000 0.745 134 L CB -0.684 41.361 42.059 -0.024 0.000 0.894 134 L HN 0.254 nan 8.230 nan 0.000 0.432 135 L N -0.840 120.393 121.223 0.016 0.000 2.044 135 L HA -0.159 4.186 4.340 0.008 0.000 0.205 135 L C 2.280 179.186 176.870 0.061 0.000 1.075 135 L CA 1.531 56.394 54.840 0.039 0.000 0.747 135 L CB -0.692 41.392 42.059 0.043 0.000 0.903 135 L HN 0.325 nan 8.230 nan 0.000 0.435 136 D N 0.126 120.554 120.400 0.047 0.000 2.178 136 D HA -0.136 4.510 4.640 0.008 0.000 0.202 136 D C 2.127 178.478 176.300 0.085 0.000 0.974 136 D CA 1.169 55.205 54.000 0.060 0.000 0.841 136 D CB 0.014 40.821 40.800 0.012 0.000 0.953 136 D HN 0.205 nan 8.370 nan 0.000 0.478 137 G N -0.159 108.672 108.800 0.052 0.000 2.509 137 G HA2 -0.197 3.768 3.960 0.008 0.000 0.218 137 G HA3 -0.197 3.768 3.960 0.008 0.000 0.218 137 G C 1.415 176.364 174.900 0.082 0.000 1.124 137 G CA 0.246 45.379 45.100 0.055 0.000 0.776 137 G HN 0.201 nan 8.290 nan 0.000 0.547 138 E N -0.409 119.844 120.200 0.087 0.000 2.418 138 E HA -0.037 4.318 4.350 0.008 0.000 0.197 138 E C 0.276 176.943 176.600 0.112 0.000 1.026 138 E CA -0.349 56.098 56.400 0.078 0.000 0.862 138 E CB -0.214 29.523 29.700 0.061 0.000 0.799 138 E HN 0.561 nan 8.360 nan 0.000 0.518 139 Y N 1.067 121.392 120.300 0.043 0.000 2.717 139 Y HA 0.010 4.565 4.550 0.009 0.000 0.330 139 Y C -0.229 175.719 175.900 0.081 0.000 1.217 139 Y CA 0.242 58.382 58.100 0.067 0.000 1.506 139 Y CB 0.447 38.948 38.460 0.069 0.000 1.268 139 Y HN -0.345 nan 8.280 nan 0.000 0.561 140 V N 8.203 127.780 119.914 -0.562 0.000 2.686 140 V HA 0.259 4.384 4.120 0.008 0.000 0.306 140 V C -1.306 174.479 176.094 -0.515 0.000 1.065 140 V CA -0.980 61.103 62.300 -0.361 0.000 0.894 140 V CB 1.683 33.400 31.823 -0.177 0.000 1.004 140 V HN 0.624 nan 8.190 nan 0.000 0.424 141 F N 5.244 124.980 119.950 -0.356 0.000 2.453 141 F HA 0.475 5.007 4.527 0.009 0.000 0.358 141 F C 0.485 176.263 175.800 -0.037 0.000 1.129 141 F CA -0.953 56.949 58.000 -0.164 0.000 1.200 141 F CB 0.810 39.860 39.000 0.084 0.000 1.431 141 F HN 0.653 nan 8.300 nan 0.000 0.503 142 D N 1.677 121.898 120.400 -0.299 0.000 2.440 142 D HA 0.067 4.712 4.640 0.008 0.000 0.216 142 D C 1.854 177.940 176.300 -0.356 0.000 1.150 142 D CA -0.166 53.700 54.000 -0.224 0.000 0.832 142 D CB -0.274 40.447 40.800 -0.132 0.000 0.992 142 D HN 0.468 nan 8.370 nan 0.000 0.502 143 R N -0.091 120.008 120.500 -0.668 0.000 2.140 143 R HA -0.180 4.165 4.340 0.008 0.000 0.250 143 R C 0.542 176.366 176.300 -0.794 0.000 1.150 143 R CA 1.672 57.268 56.100 -0.841 0.000 0.966 143 R CB -0.283 29.202 30.300 -1.359 0.000 0.869 143 R HN 0.183 nan 8.270 nan 0.000 0.445 144 F N 0.209 119.993 119.950 -0.276 0.000 2.664 144 F HA 0.270 4.802 4.527 0.008 0.000 0.303 144 F C 0.203 175.945 175.800 -0.097 0.000 1.092 144 F CA -0.186 57.726 58.000 -0.147 0.000 1.305 144 F CB 0.461 39.405 39.000 -0.095 0.000 1.054 144 F HN -0.320 nan 8.300 nan 0.000 0.565 145 K N 0.241 120.637 120.400 -0.007 0.000 2.205 145 K HA 0.273 4.598 4.320 0.008 0.000 0.279 145 K C 1.056 177.638 176.600 -0.031 0.000 1.027 145 K CA -0.035 56.251 56.287 -0.002 0.000 0.932 145 K CB 1.643 34.134 32.500 -0.016 0.000 1.032 145 K HN -0.065 nan 8.250 nan 0.000 0.466 146 S N 1.456 117.149 115.700 -0.012 0.000 2.383 146 S HA -0.153 4.322 4.470 0.008 0.000 0.227 146 S C 0.783 175.367 174.600 -0.028 0.000 1.026 146 S CA 1.018 59.205 58.200 -0.022 0.000 0.981 146 S CB 0.029 63.223 63.200 -0.010 0.000 0.818 146 S HN 0.493 nan 8.310 nan 0.000 0.472 147 Q N 2.099 121.886 119.800 -0.022 0.000 2.340 147 Q HA 0.251 4.596 4.340 0.008 0.000 0.259 147 Q C -0.985 174.996 176.000 -0.032 0.000 0.964 147 Q CA -0.370 55.419 55.803 -0.024 0.000 0.900 147 Q CB 0.556 29.286 28.738 -0.014 0.000 1.228 147 Q HN -0.079 nan 8.270 nan 0.000 0.449 148 K N 2.118 122.493 120.400 -0.041 0.000 2.118 148 K HA 0.253 4.578 4.320 0.008 0.000 0.264 148 K C -0.380 176.196 176.600 -0.039 0.000 1.000 148 K CA -0.671 55.585 56.287 -0.053 0.000 0.929 148 K CB 0.968 33.427 32.500 -0.067 0.000 1.021 148 K HN 0.654 nan 8.250 nan 0.000 0.463 149 V N -0.234 119.656 119.914 -0.041 0.000 2.452 149 V HA -0.010 4.115 4.120 0.008 0.000 0.286 149 V C 0.132 176.206 176.094 -0.033 0.000 0.995 149 V CA -0.163 62.119 62.300 -0.031 0.000 1.116 149 V CB -0.788 31.016 31.823 -0.032 0.000 0.954 149 V HN 0.583 nan 8.190 nan 0.000 0.473 150 E N 6.827 127.012 120.200 -0.025 0.000 2.417 150 E HA 0.242 4.597 4.350 0.008 0.000 0.261 150 E C -2.044 174.543 176.600 -0.023 0.000 1.000 150 E CA -0.996 55.390 56.400 -0.024 0.000 0.919 150 E CB 0.209 29.898 29.700 -0.018 0.000 0.955 150 E HN 0.734 nan 8.360 nan 0.000 0.455 151 P HA -0.041 nan 4.420 nan 0.000 0.267 151 P C -0.589 176.701 177.300 -0.017 0.000 1.201 151 P CA 0.279 63.364 63.100 -0.024 0.000 0.775 151 P CB 0.578 32.262 31.700 -0.025 0.000 0.854 152 R N 1.052 121.543 120.500 -0.014 0.000 2.500 152 R HA 0.441 4.786 4.340 0.008 0.000 0.275 152 R C 1.295 177.591 176.300 -0.008 0.000 1.051 152 R CA -0.347 55.748 56.100 -0.009 0.000 1.088 152 R CB 0.622 30.918 30.300 -0.006 0.000 1.063 152 R HN 0.474 nan 8.270 nan 0.000 0.511 153 A N 2.690 125.506 122.820 -0.006 0.000 1.968 153 A HA -0.057 4.268 4.320 0.008 0.000 0.217 153 A C 0.808 178.390 177.584 -0.003 0.000 1.169 153 A CA 0.465 52.499 52.037 -0.005 0.000 0.638 153 A CB -0.176 18.822 19.000 -0.004 0.000 0.812 153 A HN 0.485 nan 8.150 nan 0.000 0.446 154 L N 0.347 121.570 121.223 -0.001 0.000 2.530 154 L HA 0.186 4.531 4.340 0.008 0.000 0.273 154 L C 0.663 177.534 176.870 0.001 0.000 1.141 154 L CA 0.741 55.581 54.840 0.001 0.000 0.905 154 L CB 0.324 42.384 42.059 0.002 0.000 1.202 154 L HN 0.202 nan 8.230 nan 0.000 0.473 155 K N 3.421 123.822 120.400 0.001 0.000 2.412 155 K HA 0.242 4.567 4.320 0.008 0.000 0.202 155 K C -0.300 176.302 176.600 0.004 0.000 1.102 155 K CA -0.070 56.218 56.287 0.001 0.000 1.027 155 K CB 0.584 33.083 32.500 -0.001 0.000 0.931 155 K HN 0.487 nan 8.250 nan 0.000 0.557 156 K N 0.973 121.375 120.400 0.005 0.000 2.525 156 K HA 0.362 4.687 4.320 0.008 0.000 0.254 156 K C -1.783 174.822 176.600 0.008 0.000 0.934 156 K CA -0.624 55.666 56.287 0.006 0.000 0.802 156 K CB 2.187 34.689 32.500 0.004 0.000 1.295 156 K HN -0.225 nan 8.250 nan 0.000 0.433 157 V N 2.478 122.397 119.914 0.010 0.000 2.588 157 V HA 0.434 4.559 4.120 0.008 0.000 0.304 157 V C -0.697 175.404 176.094 0.012 0.000 1.042 157 V CA -0.671 61.637 62.300 0.013 0.000 0.877 157 V CB 2.138 33.971 31.823 0.017 0.000 0.996 157 V HN 0.865 nan 8.190 nan 0.000 0.425 158 T N 6.069 120.630 114.554 0.012 0.000 2.794 158 T HA 0.628 4.984 4.350 0.008 0.000 0.280 158 T C -0.367 174.340 174.700 0.011 0.000 0.987 158 T CA -0.331 61.772 62.100 0.005 0.000 0.993 158 T CB 0.893 69.762 68.868 0.003 0.000 0.939 158 T HN 0.359 nan 8.240 nan 0.000 0.449 159 L N 3.931 125.148 121.223 -0.009 0.000 2.275 159 L HA 0.515 4.860 4.340 0.008 0.000 0.288 159 L C -0.259 176.583 176.870 -0.046 0.000 1.046 159 L CA -0.846 53.982 54.840 -0.019 0.000 0.805 159 L CB 0.778 42.775 42.059 -0.103 0.000 1.193 159 L HN 0.373 nan 8.230 nan 0.000 0.426 160 L N 3.517 124.740 121.223 -0.001 0.000 2.289 160 L HA 0.775 5.120 4.340 0.008 0.000 0.285 160 L C 0.155 177.024 176.870 -0.001 0.000 1.049 160 L CA -0.211 54.628 54.840 -0.002 0.000 0.804 160 L CB 1.514 43.590 42.059 0.028 0.000 1.195 160 L HN 0.759 nan 8.230 nan 0.000 0.428 161 A N 1.893 124.697 122.820 -0.026 0.000 2.532 161 A HA 0.645 4.970 4.320 0.008 0.000 0.290 161 A C -1.310 176.277 177.584 0.005 0.000 1.143 161 A CA -0.787 51.254 52.037 0.007 0.000 0.728 161 A CB 1.484 20.449 19.000 -0.058 0.000 1.317 161 A HN 0.751 nan 8.150 nan 0.000 0.414 162 D N 0.326 120.747 120.400 0.035 0.000 2.371 162 D HA 0.185 4.830 4.640 0.008 0.000 0.242 162 D C 0.698 176.964 176.300 -0.058 0.000 1.218 162 D CA -0.238 53.764 54.000 0.003 0.000 0.945 162 D CB 0.576 41.397 40.800 0.035 0.000 1.137 162 D HN 0.437 nan 8.370 nan 0.000 0.464 163 K N 0.248 120.620 120.400 -0.047 0.000 2.097 163 K HA -0.122 4.204 4.320 0.008 0.000 0.206 163 K C 2.008 178.552 176.600 -0.094 0.000 1.049 163 K CA 1.230 57.480 56.287 -0.062 0.000 0.933 163 K CB -0.361 32.116 32.500 -0.038 0.000 0.717 163 K HN 0.557 nan 8.250 nan 0.000 0.442 164 A N 1.206 123.968 122.820 -0.097 0.000 1.933 164 A HA -0.093 4.232 4.320 0.008 0.000 0.218 164 A C 2.285 179.717 177.584 -0.252 0.000 1.175 164 A CA 1.923 53.890 52.037 -0.117 0.000 0.628 164 A CB -0.727 18.237 19.000 -0.061 0.000 0.814 164 A HN 0.424 nan 8.150 nan 0.000 0.444 165 G N -1.543 106.977 108.800 -0.466 0.000 2.939 165 G HA2 0.062 4.027 3.960 0.008 0.000 0.210 165 G HA3 0.062 4.027 3.960 0.008 0.000 0.210 165 G C 1.336 175.955 174.900 -0.467 0.000 1.160 165 G CA 0.708 45.196 45.100 -1.021 0.000 0.770 165 G HN 0.605 nan 8.290 nan 0.000 0.543 166 Q N 0.464 120.111 119.800 -0.255 0.000 2.061 166 Q HA -0.088 4.258 4.340 0.008 0.000 0.204 166 Q C 2.688 178.621 176.000 -0.112 0.000 0.984 166 Q CA 1.869 57.580 55.803 -0.154 0.000 0.846 166 Q CB -0.261 28.413 28.738 -0.107 0.000 0.902 166 Q HN 0.368 nan 8.270 nan 0.000 0.421 167 A N 0.493 123.255 122.820 -0.097 0.000 1.930 167 A HA -0.175 4.150 4.320 0.008 0.000 0.217 167 A C 1.916 179.483 177.584 -0.029 0.000 1.175 167 A CA 1.469 53.471 52.037 -0.058 0.000 0.627 167 A CB -0.447 18.522 19.000 -0.051 0.000 0.815 167 A HN 0.389 nan 8.150 nan 0.000 0.443 168 E N -0.106 120.085 120.200 -0.016 0.000 2.107 168 E HA -0.084 4.271 4.350 0.008 0.000 0.191 168 E C 2.207 178.903 176.600 0.160 0.000 0.982 168 E CA 1.198 57.656 56.400 0.096 0.000 0.809 168 E CB -0.428 29.364 29.700 0.152 0.000 0.756 168 E HN 0.401 nan 8.360 nan 0.000 0.459 169 V N 1.503 121.448 119.914 0.053 0.000 2.343 169 V HA -0.232 3.893 4.120 0.008 0.000 0.247 169 V C 2.138 178.215 176.094 -0.027 0.000 1.051 169 V CA 1.750 64.036 62.300 -0.024 0.000 1.036 169 V CB -0.464 31.207 31.823 -0.253 0.000 0.654 169 V HN 0.233 nan 8.190 nan 0.000 0.451 170 E N -0.159 120.020 120.200 -0.036 0.000 2.110 170 E HA -0.235 4.120 4.350 0.008 0.000 0.193 170 E C 2.433 179.016 176.600 -0.030 0.000 0.988 170 E CA 1.126 57.505 56.400 -0.036 0.000 0.804 170 E CB -0.164 29.512 29.700 -0.040 0.000 0.745 170 E HN 0.458 nan 8.360 nan 0.000 0.458 171 R N 0.606 121.100 120.500 -0.010 0.000 2.075 171 R HA -0.109 4.236 4.340 0.008 0.000 0.232 171 R C 2.248 178.504 176.300 -0.074 0.000 1.126 171 R CA 1.207 57.257 56.100 -0.083 0.000 0.963 171 R CB -0.152 30.118 30.300 -0.051 0.000 0.858 171 R HN 0.127 nan 8.270 nan 0.000 0.435 172 A N 0.238 123.122 122.820 0.106 0.000 1.883 172 A HA -0.128 4.197 4.320 0.008 0.000 0.217 172 A C 2.245 179.817 177.584 -0.021 0.000 1.186 172 A CA 1.710 53.702 52.037 -0.075 0.000 0.624 172 A CB -0.677 18.255 19.000 -0.113 0.000 0.822 172 A HN 0.224 nan 8.150 nan 0.000 0.444 173 V N 0.407 120.324 119.914 0.004 0.000 2.332 173 V HA -0.296 3.829 4.120 0.008 0.000 0.248 173 V C 2.562 178.672 176.094 0.027 0.000 1.055 173 V CA 2.446 64.757 62.300 0.019 0.000 1.038 173 V CB -0.684 31.142 31.823 0.005 0.000 0.651 173 V HN 0.705 nan 8.190 nan 0.000 0.450 174 K N -0.547 119.852 120.400 -0.001 0.000 2.026 174 K HA -0.223 4.102 4.320 0.008 0.000 0.208 174 K C 2.132 178.818 176.600 0.143 0.000 1.048 174 K CA 2.077 58.384 56.287 0.034 0.000 0.929 174 K CB -0.282 32.205 32.500 -0.022 0.000 0.713 174 K HN 0.663 nan 8.250 nan 0.000 0.439 175 H N -0.830 118.294 119.070 0.090 0.000 2.326 175 H HA -0.037 4.525 4.556 0.008 0.000 0.301 175 H C 2.106 177.463 175.328 0.048 0.000 1.081 175 H CA 0.671 56.770 56.048 0.084 0.000 1.334 175 H CB 0.057 29.907 29.762 0.146 0.000 1.385 175 H HN 0.379 nan 8.280 nan 0.000 0.504 176 A N 0.639 123.550 122.820 0.152 0.000 1.933 176 A HA -0.191 4.134 4.320 0.008 0.000 0.218 176 A C 2.462 180.091 177.584 0.075 0.000 1.175 176 A CA 1.792 53.878 52.037 0.082 0.000 0.628 176 A CB -0.570 18.459 19.000 0.049 0.000 0.814 176 A HN 0.292 nan 8.150 nan 0.000 0.444 177 S N -0.106 115.640 115.700 0.077 0.000 2.368 177 S HA -0.041 4.434 4.470 0.008 0.000 0.225 177 S C 2.317 176.959 174.600 0.070 0.000 1.030 177 S CA 1.193 59.433 58.200 0.066 0.000 0.999 177 S CB -0.479 62.756 63.200 0.058 0.000 0.844 177 S HN 0.806 nan 8.310 nan 0.000 0.459 178 A N 1.494 124.364 122.820 0.084 0.000 1.877 178 A HA -0.043 4.282 4.320 0.008 0.000 0.216 178 A C 2.085 179.705 177.584 0.060 0.000 1.186 178 A CA 1.231 53.309 52.037 0.069 0.000 0.620 178 A CB -0.755 18.288 19.000 0.072 0.000 0.822 178 A HN 0.465 nan 8.150 nan 0.000 0.443 179 I N -0.154 120.454 120.570 0.062 0.000 2.163 179 I HA -0.313 3.862 4.170 0.008 0.000 0.243 179 I C 2.966 179.115 176.117 0.053 0.000 1.085 179 I CA 1.234 62.563 61.300 0.049 0.000 1.347 179 I CB -0.324 37.701 38.000 0.042 0.000 1.044 179 I HN 0.358 nan 8.210 nan 0.000 0.408 180 A N -0.035 122.819 122.820 0.056 0.000 1.933 180 A HA -0.188 4.137 4.320 0.008 0.000 0.218 180 A C 2.373 180.008 177.584 0.085 0.000 1.175 180 A CA 2.335 54.408 52.037 0.061 0.000 0.628 180 A CB -1.012 18.023 19.000 0.059 0.000 0.814 180 A HN 0.392 nan 8.150 nan 0.000 0.444 181 T N -0.364 114.241 114.554 0.085 0.000 2.777 181 T HA -0.010 4.345 4.350 0.008 0.000 0.266 181 T C 1.966 176.746 174.700 0.134 0.000 1.040 181 T CA 1.359 63.518 62.100 0.098 0.000 1.141 181 T CB -0.529 68.380 68.868 0.068 0.000 0.868 181 T HN 0.577 nan 8.240 nan 0.000 0.444 182 G N 1.242 110.117 108.800 0.124 0.000 2.421 182 G HA2 -0.190 3.775 3.960 0.008 0.000 0.216 182 G HA3 -0.190 3.775 3.960 0.008 0.000 0.216 182 G C 1.567 176.566 174.900 0.165 0.000 1.171 182 G CA 0.661 45.865 45.100 0.173 0.000 0.775 182 G HN 0.399 nan 8.290 nan 0.000 0.543 183 M N 0.860 120.516 119.600 0.093 0.000 2.149 183 M HA -0.060 4.426 4.480 0.008 0.000 0.261 183 M C 2.996 179.322 176.300 0.043 0.000 1.064 183 M CA 1.436 56.758 55.300 0.037 0.000 1.102 183 M CB -0.210 32.387 32.600 -0.004 0.000 1.369 183 M HN 0.328 nan 8.290 nan 0.000 0.408 184 A N -0.110 122.792 122.820 0.138 0.000 1.930 184 A HA -0.177 4.149 4.320 0.008 0.000 0.217 184 A C 1.958 179.751 177.584 0.348 0.000 1.175 184 A CA 1.242 53.437 52.037 0.264 0.000 0.627 184 A CB -0.846 18.354 19.000 0.334 0.000 0.815 184 A HN 0.500 nan 8.150 nan 0.000 0.443 185 F N 1.576 121.592 119.950 0.109 0.000 2.113 185 F HA -0.102 4.430 4.527 0.009 0.000 0.297 185 F C 2.444 178.280 175.800 0.060 0.000 1.103 185 F CA 2.050 60.098 58.000 0.080 0.000 1.248 185 F CB -1.083 37.946 39.000 0.047 0.000 0.999 185 F HN 0.216 nan 8.300 nan 0.000 0.475 186 T N 0.929 115.496 114.554 0.021 0.000 2.684 186 T HA -0.220 4.136 4.350 0.008 0.000 0.267 186 T C 2.147 176.813 174.700 -0.057 0.000 1.036 186 T CA 1.910 63.959 62.100 -0.086 0.000 1.148 186 T CB -0.270 68.577 68.868 -0.036 0.000 0.863 186 T HN 0.237 nan 8.240 nan 0.000 0.436 187 R N 0.709 121.169 120.500 -0.066 0.000 2.075 187 R HA -0.067 4.278 4.340 0.008 0.000 0.232 187 R C 2.311 178.587 176.300 -0.040 0.000 1.126 187 R CA 1.400 57.402 56.100 -0.164 0.000 0.963 187 R CB -0.254 29.694 30.300 -0.586 0.000 0.858 187 R HN 0.331 nan 8.270 nan 0.000 0.435 188 D N 0.748 121.252 120.400 0.173 0.000 2.104 188 D HA -0.149 4.496 4.640 0.008 0.000 0.194 188 D C 1.948 178.311 176.300 0.105 0.000 0.994 188 D CA 1.156 55.310 54.000 0.258 0.000 0.830 188 D CB -0.169 40.899 40.800 0.447 0.000 0.959 188 D HN 0.158 nan 8.370 nan 0.000 0.452 189 L N 0.313 121.569 121.223 0.054 0.000 2.083 189 L HA -0.052 4.293 4.340 0.008 0.000 0.209 189 L C 2.570 179.431 176.870 -0.016 0.000 1.083 189 L CA 1.309 56.162 54.840 0.021 0.000 0.752 189 L CB -0.738 41.245 42.059 -0.127 0.000 0.899 189 L HN 0.086 nan 8.230 nan 0.000 0.433 190 G N 0.012 108.803 108.800 -0.015 0.000 2.421 190 G HA2 -0.259 3.706 3.960 0.008 0.000 0.216 190 G HA3 -0.259 3.706 3.960 0.008 0.000 0.216 190 G C 1.375 176.218 174.900 -0.096 0.000 1.171 190 G CA 0.681 45.811 45.100 0.050 0.000 0.775 190 G HN 0.309 nan 8.290 nan 0.000 0.543 191 N N 0.250 118.850 118.700 -0.167 0.000 2.396 191 N HA 0.044 4.789 4.740 0.008 0.000 0.180 191 N C 0.996 176.294 175.510 -0.354 0.000 1.028 191 N CA -0.010 52.795 53.050 -0.409 0.000 0.893 191 N CB -0.156 37.712 38.487 -1.032 0.000 0.967 191 N HN 0.262 nan 8.380 nan 0.000 0.440 192 L N 3.021 124.158 121.223 -0.144 0.000 2.525 192 L HA 0.043 4.388 4.340 0.008 0.000 0.278 192 L C -1.776 175.004 176.870 -0.149 0.000 1.218 192 L CA -1.076 53.804 54.840 0.068 0.000 0.878 192 L CB 0.138 42.220 42.059 0.039 0.000 1.127 192 L HN -0.006 nan 8.230 nan 0.000 0.492 193 P HA 0.129 nan 4.420 nan 0.000 0.274 193 P C -2.332 174.814 177.300 -0.257 0.000 1.237 193 P CA -1.583 61.337 63.100 -0.299 0.000 0.793 193 P CB 0.463 31.912 31.700 -0.418 0.000 0.977 194 P HA -0.101 nan 4.420 nan 0.000 0.229 194 P C 1.004 178.218 177.300 -0.143 0.000 1.160 194 P CA 1.078 64.080 63.100 -0.164 0.000 0.777 194 P CB -0.203 31.406 31.700 -0.151 0.000 0.814 195 N N 0.472 119.061 118.700 -0.185 0.000 2.381 195 N HA -0.093 4.653 4.740 0.008 0.000 0.182 195 N C 1.601 177.062 175.510 -0.082 0.000 1.025 195 N CA 1.007 53.994 53.050 -0.105 0.000 0.888 195 N CB -1.026 37.383 38.487 -0.129 0.000 0.965 195 N HN 0.267 nan 8.380 nan 0.000 0.438 196 L N -0.426 120.663 121.223 -0.223 0.000 2.362 196 L HA 0.205 4.550 4.340 0.008 0.000 0.204 196 L C 0.774 177.178 176.870 -0.776 0.000 1.060 196 L CA 0.005 54.603 54.840 -0.404 0.000 0.827 196 L CB 0.123 41.980 42.059 -0.336 0.000 1.027 196 L HN 0.122 nan 8.230 nan 0.000 0.474 197 C N 2.247 121.202 119.300 -0.574 0.000 2.183 197 C HA 0.336 4.801 4.460 0.008 0.000 0.409 197 C C 0.403 175.326 174.990 -0.112 0.000 1.022 197 C CA -0.701 58.057 59.018 -0.433 0.000 1.367 197 C CB -2.251 25.343 27.740 -0.243 0.000 1.650 197 C HN 0.404 nan 8.230 nan 0.000 0.499 198 H N 2.999 122.138 119.070 0.115 0.000 2.754 198 H HA 0.599 5.160 4.556 0.008 0.000 0.352 198 H C -2.450 172.995 175.328 0.195 0.000 1.213 198 H CA -2.701 53.423 56.048 0.126 0.000 1.244 198 H CB -0.495 29.315 29.762 0.080 0.000 1.843 198 H HN -0.029 nan 8.280 nan 0.000 0.587 199 P HA -0.128 nan 4.420 nan 0.000 0.216 199 P C 1.178 178.661 177.300 0.304 0.000 1.150 199 P CA 2.069 65.335 63.100 0.276 0.000 0.837 199 P CB 0.113 31.928 31.700 0.191 0.000 0.786 200 S N -1.344 114.576 115.700 0.366 0.000 2.383 200 S HA -0.149 4.326 4.470 0.008 0.000 0.227 200 S C 1.599 176.410 174.600 0.351 0.000 1.026 200 S CA 0.842 59.221 58.200 0.298 0.000 0.981 200 S CB -1.166 62.152 63.200 0.196 0.000 0.818 200 S HN 0.136 nan 8.310 nan 0.000 0.472 201 F N 2.566 122.707 119.950 0.319 0.000 2.095 201 F HA -0.095 4.437 4.527 0.008 0.000 0.298 201 F C 1.766 177.624 175.800 0.096 0.000 1.104 201 F CA 1.314 59.354 58.000 0.066 0.000 1.232 201 F CB -0.417 38.431 39.000 -0.253 0.000 0.987 201 F HN 0.088 nan 8.300 nan 0.000 0.475 202 L N -0.069 121.231 121.223 0.129 0.000 2.083 202 L HA -0.198 4.148 4.340 0.008 0.000 0.209 202 L C 2.803 179.758 176.870 0.141 0.000 1.083 202 L CA 1.074 55.976 54.840 0.103 0.000 0.752 202 L CB -1.266 40.971 42.059 0.297 0.000 0.899 202 L HN 0.284 nan 8.230 nan 0.000 0.433 203 A N -0.337 122.562 122.820 0.131 0.000 1.902 203 A HA -0.184 4.141 4.320 0.008 0.000 0.217 203 A C 2.215 179.839 177.584 0.066 0.000 1.181 203 A CA 1.415 53.521 52.037 0.115 0.000 0.623 203 A CB -0.291 18.772 19.000 0.105 0.000 0.818 203 A HN 0.320 nan 8.150 nan 0.000 0.443 204 E N -0.092 120.102 120.200 -0.009 0.000 2.106 204 E HA -0.153 4.202 4.350 0.008 0.000 0.192 204 E C 2.221 178.761 176.600 -0.100 0.000 0.984 204 E CA 0.922 57.291 56.400 -0.051 0.000 0.806 204 E CB -0.356 29.299 29.700 -0.076 0.000 0.750 204 E HN 0.604 nan 8.360 nan 0.000 0.458 205 Q N 0.244 119.902 119.800 -0.236 0.000 2.096 205 Q HA -0.093 4.252 4.340 0.008 0.000 0.204 205 Q C 2.135 178.191 176.000 0.094 0.000 0.982 205 Q CA 1.436 57.123 55.803 -0.193 0.000 0.850 205 Q CB -0.411 28.067 28.738 -0.432 0.000 0.901 205 Q HN 0.242 nan 8.270 nan 0.000 0.422 206 A N 1.435 124.419 122.820 0.274 0.000 1.877 206 A HA -0.185 4.141 4.320 0.008 0.000 0.216 206 A C 2.102 179.805 177.584 0.198 0.000 1.186 206 A CA 1.512 53.772 52.037 0.372 0.000 0.620 206 A CB -0.340 18.836 19.000 0.293 0.000 0.822 206 A HN 0.254 nan 8.150 nan 0.000 0.443 207 K N -0.568 119.907 120.400 0.124 0.000 2.097 207 K HA -0.192 4.133 4.320 0.008 0.000 0.206 207 K C 2.114 178.761 176.600 0.079 0.000 1.049 207 K CA 1.517 57.858 56.287 0.089 0.000 0.933 207 K CB -0.142 32.396 32.500 0.063 0.000 0.717 207 K HN 0.718 nan 8.250 nan 0.000 0.442 208 E N 0.979 121.215 120.200 0.060 0.000 2.077 208 E HA -0.209 4.146 4.350 0.008 0.000 0.193 208 E C 2.042 178.683 176.600 0.069 0.000 0.989 208 E CA 0.764 57.187 56.400 0.038 0.000 0.800 208 E CB 0.033 29.732 29.700 -0.001 0.000 0.746 208 E HN 0.085 nan 8.360 nan 0.000 0.452 209 L N 0.536 121.834 121.223 0.126 0.000 2.046 209 L HA -0.048 4.297 4.340 0.008 0.000 0.208 209 L C 2.234 179.253 176.870 0.248 0.000 1.077 209 L CA 2.255 57.220 54.840 0.208 0.000 0.747 209 L CB -0.871 41.354 42.059 0.278 0.000 0.896 209 L HN 0.242 nan 8.230 nan 0.000 0.432 210 G N -1.086 107.824 108.800 0.183 0.000 2.418 210 G HA2 -0.265 3.700 3.960 0.008 0.000 0.217 210 G HA3 -0.265 3.700 3.960 0.008 0.000 0.217 210 G C 1.701 176.677 174.900 0.126 0.000 1.158 210 G CA 0.717 45.913 45.100 0.161 0.000 0.771 210 G HN 0.375 nan 8.290 nan 0.000 0.545 211 K N 0.431 120.881 120.400 0.083 0.000 2.211 211 K HA 0.083 4.408 4.320 0.008 0.000 0.203 211 K C 2.665 179.265 176.600 0.001 0.000 1.050 211 K CA 0.831 57.143 56.287 0.041 0.000 0.945 211 K CB -0.073 32.442 32.500 0.024 0.000 0.732 211 K HN 0.298 nan 8.250 nan 0.000 0.451 212 A N 0.654 123.456 122.820 -0.030 0.000 2.169 212 A HA -0.022 4.303 4.320 0.008 0.000 0.212 212 A C 0.100 177.424 177.584 -0.432 0.000 1.153 212 A CA 0.455 52.352 52.037 -0.233 0.000 0.756 212 A CB 0.019 18.831 19.000 -0.312 0.000 0.813 212 A HN 0.191 nan 8.150 nan 0.000 0.471 213 H N -1.103 117.996 119.070 0.049 0.000 2.924 213 H HA 0.200 4.761 4.556 0.009 0.000 0.333 213 H C 0.389 175.766 175.328 0.083 0.000 0.979 213 H CA -0.413 55.677 56.048 0.071 0.000 1.326 213 H CB 1.998 31.815 29.762 0.091 0.000 1.600 213 H HN 0.214 nan 8.280 nan 0.000 0.520 214 K N 3.170 123.668 120.400 0.164 0.000 2.103 214 K HA -0.050 4.275 4.320 0.008 0.000 0.207 214 K C 1.592 178.264 176.600 0.120 0.000 1.048 214 K CA 1.636 57.991 56.287 0.114 0.000 0.930 214 K CB -0.006 32.541 32.500 0.078 0.000 0.716 214 K HN 0.576 nan 8.250 nan 0.000 0.444 215 A N -0.033 122.883 122.820 0.159 0.000 2.238 215 A HA 0.178 4.503 4.320 0.008 0.000 0.208 215 A C 0.145 177.812 177.584 0.139 0.000 1.177 215 A CA -0.081 52.011 52.037 0.093 0.000 0.804 215 A CB -0.245 18.783 19.000 0.046 0.000 0.823 215 A HN 0.260 nan 8.150 nan 0.000 0.482 216 L N -0.170 121.175 121.223 0.204 0.000 2.313 216 L HA 0.525 4.870 4.340 0.008 0.000 0.283 216 L C -0.280 176.674 176.870 0.140 0.000 1.013 216 L CA -0.399 54.562 54.840 0.201 0.000 0.816 216 L CB 1.444 43.640 42.059 0.227 0.000 1.236 216 L HN 0.153 nan 8.230 nan 0.000 0.419 217 K N 4.307 124.776 120.400 0.116 0.000 2.323 217 K HA 0.716 5.041 4.320 0.008 0.000 0.259 217 K C -1.857 174.802 176.600 0.099 0.000 0.947 217 K CA -0.653 55.693 56.287 0.099 0.000 0.819 217 K CB 1.681 34.234 32.500 0.087 0.000 1.109 217 K HN 0.479 nan 8.250 nan 0.000 0.429 218 V N 3.531 123.503 119.914 0.096 0.000 2.495 218 V HA 0.379 4.504 4.120 0.008 0.000 0.298 218 V C -0.659 175.487 176.094 0.086 0.000 1.031 218 V CA -0.726 61.627 62.300 0.090 0.000 0.871 218 V CB 1.517 33.399 31.823 0.098 0.000 0.988 218 V HN 0.877 nan 8.190 nan 0.000 0.432 219 E N 3.062 123.314 120.200 0.086 0.000 2.248 219 E HA 0.704 5.059 4.350 0.008 0.000 0.267 219 E C -1.882 174.756 176.600 0.063 0.000 0.877 219 E CA -0.534 55.916 56.400 0.083 0.000 0.759 219 E CB 2.378 32.146 29.700 0.114 0.000 1.182 219 E HN 0.456 nan 8.360 nan 0.000 0.418 220 V N 4.946 124.890 119.914 0.051 0.000 2.409 220 V HA 0.338 4.463 4.120 0.008 0.000 0.291 220 V C -0.855 175.248 176.094 0.014 0.000 1.020 220 V CA -0.832 61.488 62.300 0.034 0.000 0.848 220 V CB 1.257 33.107 31.823 0.045 0.000 0.990 220 V HN 0.565 nan 8.190 nan 0.000 0.430 221 L N 5.708 126.918 121.223 -0.021 0.000 2.272 221 L HA 0.510 4.855 4.340 0.008 0.000 0.289 221 L C 0.332 177.163 176.870 -0.066 0.000 1.032 221 L CA -0.196 54.613 54.840 -0.052 0.000 0.810 221 L CB 1.013 43.003 42.059 -0.115 0.000 1.205 221 L HN 0.798 nan 8.230 nan 0.000 0.422 222 D N 1.073 121.448 120.400 -0.042 0.000 2.469 222 D HA 0.041 4.686 4.640 0.008 0.000 0.278 222 D C 0.838 177.104 176.300 -0.058 0.000 1.231 222 D CA -0.375 53.604 54.000 -0.035 0.000 1.075 222 D CB 0.487 41.285 40.800 -0.004 0.000 1.121 222 D HN 0.585 nan 8.370 nan 0.000 0.571 223 E N -0.757 119.431 120.200 -0.021 0.000 2.107 223 E HA -0.189 4.166 4.350 0.008 0.000 0.191 223 E C 1.817 178.452 176.600 0.059 0.000 0.982 223 E CA 0.657 57.067 56.400 0.018 0.000 0.809 223 E CB 0.055 29.790 29.700 0.058 0.000 0.756 223 E HN 0.433 nan 8.360 nan 0.000 0.459 224 K N 0.772 121.191 120.400 0.031 0.000 2.057 224 K HA -0.224 4.102 4.320 0.008 0.000 0.207 224 K C 2.179 178.763 176.600 -0.027 0.000 1.049 224 K CA 1.530 57.821 56.287 0.005 0.000 0.931 224 K CB -0.018 32.484 32.500 0.004 0.000 0.714 224 K HN -0.129 nan 8.250 nan 0.000 0.440 225 K N 1.418 121.800 120.400 -0.031 0.000 2.057 225 K HA -0.070 4.255 4.320 0.008 0.000 0.207 225 K C 1.866 178.428 176.600 -0.065 0.000 1.049 225 K CA 1.371 57.636 56.287 -0.038 0.000 0.931 225 K CB -0.318 32.163 32.500 -0.031 0.000 0.714 225 K HN 0.215 nan 8.250 nan 0.000 0.440 226 I N 0.680 121.179 120.570 -0.118 0.000 2.163 226 I HA -0.324 3.851 4.170 0.008 0.000 0.243 226 I C 2.523 178.588 176.117 -0.086 0.000 1.085 226 I CA 1.549 62.740 61.300 -0.182 0.000 1.347 226 I CB -0.296 37.473 38.000 -0.385 0.000 1.044 226 I HN 0.257 nan 8.210 nan 0.000 0.408 227 K N 0.753 121.108 120.400 -0.075 0.000 2.026 227 K HA -0.227 4.098 4.320 0.008 0.000 0.208 227 K C 1.666 178.189 176.600 -0.128 0.000 1.048 227 K CA 1.943 58.115 56.287 -0.191 0.000 0.929 227 K CB -0.035 32.211 32.500 -0.424 0.000 0.713 227 K HN 0.214 nan 8.250 nan 0.000 0.439 228 D N 0.746 121.094 120.400 -0.087 0.000 2.219 228 D HA -0.115 4.530 4.640 0.008 0.000 0.205 228 D C 1.717 178.004 176.300 -0.021 0.000 0.970 228 D CA 0.794 54.762 54.000 -0.053 0.000 0.851 228 D CB 0.011 40.789 40.800 -0.036 0.000 0.943 228 D HN 0.245 nan 8.370 nan 0.000 0.488 229 L N -0.505 120.715 121.223 -0.004 0.000 2.551 229 L HA 0.069 4.414 4.340 0.008 0.000 0.228 229 L C 1.443 178.336 176.870 0.039 0.000 1.153 229 L CA 0.611 55.473 54.840 0.036 0.000 0.851 229 L CB -0.164 41.944 42.059 0.082 0.000 0.959 229 L HN 0.152 nan 8.230 nan 0.000 0.451 230 G N -0.221 108.587 108.800 0.013 0.000 2.132 230 G HA2 -0.293 3.672 3.960 0.008 0.000 0.234 230 G HA3 -0.293 3.672 3.960 0.008 0.000 0.234 230 G C 0.319 175.255 174.900 0.061 0.000 0.989 230 G CA -0.229 44.885 45.100 0.024 0.000 0.676 230 G HN 0.263 nan 8.290 nan 0.000 0.522 231 M N 1.995 121.636 119.600 0.068 0.000 3.436 231 M HA 0.336 4.821 4.480 0.008 0.000 0.240 231 M C 1.871 178.272 176.300 0.167 0.000 1.469 231 M CA 0.581 55.960 55.300 0.131 0.000 1.622 231 M CB 0.245 32.922 32.600 0.127 0.000 1.098 231 M HN 0.232 nan 8.290 nan 0.000 0.568 232 G N 0.627 109.514 108.800 0.145 0.000 2.443 232 G HA2 -0.110 3.855 3.960 0.008 0.000 0.219 232 G HA3 -0.110 3.855 3.960 0.008 0.000 0.219 232 G C 1.470 176.497 174.900 0.212 0.000 1.131 232 G CA 1.004 46.200 45.100 0.160 0.000 0.775 232 G HN 0.679 nan 8.290 nan 0.000 0.547 233 A N 0.342 123.281 122.820 0.197 0.000 1.898 233 A HA 0.222 4.547 4.320 0.008 0.000 0.214 233 A C 2.099 179.810 177.584 0.213 0.000 1.183 233 A CA 1.118 53.260 52.037 0.175 0.000 0.622 233 A CB -0.485 18.592 19.000 0.128 0.000 0.824 233 A HN 0.263 nan 8.150 nan 0.000 0.444 234 F N -0.504 119.483 119.950 0.062 0.000 2.102 234 F HA -0.180 4.353 4.527 0.009 0.000 0.298 234 F C 2.141 177.980 175.800 0.064 0.000 1.105 234 F CA 1.343 59.370 58.000 0.046 0.000 1.239 234 F CB -1.015 38.013 39.000 0.047 0.000 0.991 234 F HN 0.411 nan 8.300 nan 0.000 0.474 235 Y N 0.586 121.028 120.300 0.237 0.000 2.165 235 Y HA -0.175 4.380 4.550 0.008 0.000 0.286 235 Y C 2.400 178.365 175.900 0.109 0.000 1.155 235 Y CA 1.923 60.087 58.100 0.106 0.000 1.164 235 Y CB -0.802 37.679 38.460 0.035 0.000 0.978 235 Y HN 0.066 nan 8.280 nan 0.000 0.513 236 A N -0.818 122.112 122.820 0.184 0.000 1.933 236 A HA -0.156 4.169 4.320 0.008 0.000 0.218 236 A C 2.316 179.896 177.584 -0.007 0.000 1.175 236 A CA 1.919 54.005 52.037 0.082 0.000 0.628 236 A CB -1.266 17.807 19.000 0.123 0.000 0.814 236 A HN 0.346 nan 8.150 nan 0.000 0.444 237 V N -0.317 119.612 119.914 0.026 0.000 2.358 237 V HA -0.155 3.970 4.120 0.008 0.000 0.246 237 V C 2.722 178.798 176.094 -0.030 0.000 1.047 237 V CA 1.982 64.280 62.300 -0.004 0.000 1.035 237 V CB -1.243 30.575 31.823 -0.008 0.000 0.658 237 V HN 0.608 nan 8.190 nan 0.000 0.452 238 G N -0.142 108.634 108.800 -0.040 0.000 2.572 238 G HA2 -0.192 3.773 3.960 0.008 0.000 0.216 238 G HA3 -0.192 3.773 3.960 0.008 0.000 0.216 238 G C 1.422 176.221 174.900 -0.167 0.000 1.133 238 G CA 0.663 45.720 45.100 -0.071 0.000 0.791 238 G HN 0.687 nan 8.290 nan 0.000 0.538 239 Q N -0.144 119.493 119.800 -0.271 0.000 2.297 239 Q HA 0.122 4.468 4.340 0.008 0.000 0.204 239 Q C 2.308 178.228 176.000 -0.132 0.000 0.962 239 Q CA 1.115 56.733 55.803 -0.309 0.000 0.879 239 Q CB -0.408 28.088 28.738 -0.404 0.000 0.947 239 Q HN 0.222 nan 8.270 nan 0.000 0.462 240 G N 0.927 109.677 108.800 -0.084 0.000 2.534 240 G HA2 -0.118 3.848 3.960 0.008 0.000 0.217 240 G HA3 -0.118 3.848 3.960 0.008 0.000 0.217 240 G C 0.497 175.379 174.900 -0.030 0.000 1.128 240 G CA 0.379 45.454 45.100 -0.041 0.000 0.784 240 G HN 0.331 nan 8.290 nan 0.000 0.542 241 S N -0.537 115.141 115.700 -0.036 0.000 2.617 241 S HA 0.325 4.800 4.470 0.008 0.000 0.283 241 S C 0.753 175.335 174.600 -0.031 0.000 1.189 241 S CA -0.624 57.563 58.200 -0.021 0.000 1.036 241 S CB 1.218 64.413 63.200 -0.008 0.000 1.014 241 S HN 0.091 nan 8.310 nan 0.000 0.522 242 D N 1.180 121.563 120.400 -0.028 0.000 2.312 242 D HA 0.036 4.681 4.640 0.008 0.000 0.211 242 D C 0.124 176.392 176.300 -0.052 0.000 0.964 242 D CA 0.912 54.891 54.000 -0.036 0.000 0.877 242 D CB 0.119 40.898 40.800 -0.035 0.000 0.924 242 D HN 0.418 nan 8.370 nan 0.000 0.515 243 Q N 1.696 121.462 119.800 -0.056 0.000 2.349 243 Q HA 0.237 4.582 4.340 0.008 0.000 0.254 243 Q C -2.209 173.766 176.000 -0.042 0.000 0.980 243 Q CA -1.770 53.982 55.803 -0.085 0.000 0.924 243 Q CB 1.516 30.199 28.738 -0.091 0.000 1.209 243 Q HN 0.192 nan 8.270 nan 0.000 0.445 244 P HA 0.261 nan 4.420 nan 0.000 0.274 244 P C -2.581 174.730 177.300 0.018 0.000 1.237 244 P CA -1.500 61.588 63.100 -0.019 0.000 0.793 244 P CB 0.192 31.883 31.700 -0.014 0.000 0.977 245 P HA 0.318 nan 4.420 nan 0.000 0.276 245 P C -0.486 176.845 177.300 0.052 0.000 1.261 245 P CA -0.132 63.024 63.100 0.093 0.000 0.800 245 P CB 0.732 32.506 31.700 0.124 0.000 1.066 246 R N 0.439 121.009 120.500 0.115 0.000 2.584 246 R HA 0.463 4.808 4.340 0.008 0.000 0.276 246 R C -1.289 175.085 176.300 0.123 0.000 1.046 246 R CA -0.957 55.180 56.100 0.063 0.000 0.906 246 R CB 1.528 31.887 30.300 0.098 0.000 1.215 246 R HN 0.422 nan 8.270 nan 0.000 0.449 247 L N 4.347 125.564 121.223 -0.010 0.000 2.276 247 L HA 0.536 4.881 4.340 0.008 0.000 0.286 247 L C -0.775 176.086 176.870 -0.015 0.000 1.024 247 L CA -0.209 54.651 54.840 0.032 0.000 0.826 247 L CB 0.721 42.698 42.059 -0.137 0.000 1.211 247 L HN 0.550 nan 8.230 nan 0.000 0.422 248 I N 5.833 126.411 120.570 0.013 0.000 2.336 248 I HA 0.400 4.575 4.170 0.008 0.000 0.292 248 I C -0.629 175.472 176.117 -0.028 0.000 0.991 248 I CA -0.787 60.511 61.300 -0.005 0.000 1.227 248 I CB 1.706 39.701 38.000 -0.008 0.000 1.366 248 I HN 0.246 nan 8.210 nan 0.000 0.466 249 V N 7.642 127.560 119.914 0.007 0.000 2.384 249 V HA 0.409 4.534 4.120 0.008 0.000 0.287 249 V C -0.360 175.744 176.094 0.017 0.000 1.020 249 V CA -0.559 61.759 62.300 0.030 0.000 0.850 249 V CB 1.449 33.358 31.823 0.144 0.000 0.987 249 V HN 0.400 nan 8.190 nan 0.000 0.436 250 L N 4.724 125.930 121.223 -0.028 0.000 2.319 250 L HA 0.561 4.906 4.340 0.008 0.000 0.281 250 L C -0.049 176.822 176.870 0.002 0.000 1.005 250 L CA -0.144 54.696 54.840 -0.001 0.000 0.828 250 L CB 1.309 43.353 42.059 -0.024 0.000 1.227 250 L HN 0.486 nan 8.230 nan 0.000 0.415 251 N N 2.455 121.183 118.700 0.047 0.000 2.511 251 N HA 0.172 4.917 4.740 0.008 0.000 0.249 251 N C -1.684 173.894 175.510 0.113 0.000 0.971 251 N CA -0.442 52.634 53.050 0.042 0.000 0.938 251 N CB 0.930 39.446 38.487 0.050 0.000 1.131 251 N HN 0.517 nan 8.380 nan 0.000 0.505 252 Y N 3.294 123.591 120.300 -0.005 0.000 2.385 252 Y HA 0.340 4.895 4.550 0.008 0.000 0.341 252 Y C -0.505 175.411 175.900 0.026 0.000 0.965 252 Y CA -0.533 57.575 58.100 0.013 0.000 1.180 252 Y CB 0.869 39.330 38.460 0.002 0.000 1.139 252 Y HN 0.324 nan 8.280 nan 0.000 0.502 253 Q N 5.472 125.021 119.800 -0.418 0.000 2.655 253 Q HA 0.273 4.618 4.340 0.008 0.000 0.228 253 Q C 0.606 176.264 176.000 -0.571 0.000 1.186 253 Q CA 0.145 55.732 55.803 -0.360 0.000 1.004 253 Q CB 1.286 29.934 28.738 -0.150 0.000 1.242 253 Q HN 1.130 nan 8.270 nan 0.000 0.558 254 G N 0.551 108.878 108.800 -0.788 0.000 2.796 254 G HA2 0.147 4.112 3.960 0.008 0.000 0.210 254 G HA3 0.147 4.112 3.960 0.008 0.000 0.210 254 G C 0.644 175.444 174.900 -0.167 0.000 1.146 254 G CA 0.373 45.118 45.100 -0.591 0.000 0.779 254 G HN 0.500 nan 8.290 nan 0.000 0.535 255 G N -0.097 108.639 108.800 -0.106 0.000 2.642 255 G HA2 0.502 4.467 3.960 0.008 0.000 0.291 255 G HA3 0.502 4.467 3.960 0.008 0.000 0.291 255 G C -0.425 174.458 174.900 -0.029 0.000 1.345 255 G CA -0.846 44.242 45.100 -0.020 0.000 1.043 255 G HN 0.211 nan 8.290 nan 0.000 0.528 256 K N -0.306 120.090 120.400 -0.008 0.000 2.355 256 K HA 0.085 4.410 4.320 0.008 0.000 0.270 256 K C 1.295 177.887 176.600 -0.013 0.000 1.003 256 K CA -0.085 56.196 56.287 -0.009 0.000 0.957 256 K CB 1.298 33.798 32.500 -0.000 0.000 0.939 256 K HN 0.513 nan 8.250 nan 0.000 0.482 257 K N 2.289 122.682 120.400 -0.012 0.000 2.113 257 K HA -0.225 4.100 4.320 0.008 0.000 0.208 257 K C 1.495 178.093 176.600 -0.004 0.000 1.047 257 K CA 2.098 58.380 56.287 -0.009 0.000 0.928 257 K CB -0.120 32.377 32.500 -0.005 0.000 0.716 257 K HN 0.655 nan 8.250 nan 0.000 0.446 258 A N 0.358 123.176 122.820 -0.004 0.000 2.178 258 A HA 0.061 4.386 4.320 0.008 0.000 0.211 258 A C -0.172 177.406 177.584 -0.010 0.000 1.157 258 A CA 0.148 52.182 52.037 -0.004 0.000 0.780 258 A CB -0.189 18.809 19.000 -0.003 0.000 0.828 258 A HN 0.322 nan 8.150 nan 0.000 0.476 259 D N 1.752 122.145 120.400 -0.012 0.000 2.425 259 D HA 0.155 4.800 4.640 0.008 0.000 0.247 259 D C -0.050 176.220 176.300 -0.050 0.000 1.147 259 D CA 0.497 54.483 54.000 -0.024 0.000 0.879 259 D CB 0.603 41.400 40.800 -0.006 0.000 1.179 259 D HN 0.254 nan 8.370 nan 0.000 0.456 260 K N 3.819 124.165 120.400 -0.089 0.000 2.401 260 K HA 0.145 4.470 4.320 0.008 0.000 0.278 260 K C -2.030 174.425 176.600 -0.241 0.000 1.018 260 K CA -1.033 55.178 56.287 -0.127 0.000 0.981 260 K CB 0.469 32.886 32.500 -0.138 0.000 0.933 260 K HN 0.292 nan 8.250 nan 0.000 0.477 261 P HA 0.127 nan 4.420 nan 0.000 0.278 261 P C -0.881 176.193 177.300 -0.377 0.000 1.258 261 P CA -0.314 62.675 63.100 -0.185 0.000 0.811 261 P CB 0.516 32.190 31.700 -0.043 0.000 1.063 262 F N -0.194 119.778 119.950 0.038 0.000 2.404 262 F HA 0.288 4.820 4.527 0.008 0.000 0.345 262 F C 0.566 176.366 175.800 -0.000 0.000 1.110 262 F CA -0.469 57.565 58.000 0.055 0.000 1.130 262 F CB 1.028 40.096 39.000 0.114 0.000 1.129 262 F HN -0.073 nan 8.300 nan 0.000 0.500 263 V N 5.270 125.248 119.914 0.107 0.000 2.417 263 V HA 0.404 4.529 4.120 0.008 0.000 0.291 263 V C -0.206 175.911 176.094 0.038 0.000 1.024 263 V CA -0.802 61.499 62.300 0.002 0.000 0.861 263 V CB 1.619 33.395 31.823 -0.078 0.000 0.985 263 V HN 0.527 nan 8.190 nan 0.000 0.436 264 L N 5.472 126.705 121.223 0.017 0.000 2.296 264 L HA 0.622 4.967 4.340 0.008 0.000 0.286 264 L C -0.642 176.230 176.870 0.003 0.000 1.023 264 L CA -0.742 54.106 54.840 0.013 0.000 0.812 264 L CB 1.893 43.952 42.059 -0.000 0.000 1.223 264 L HN 0.342 nan 8.230 nan 0.000 0.421 265 V N 2.304 122.241 119.914 0.038 0.000 2.357 265 V HA 0.581 4.707 4.120 0.008 0.000 0.284 265 V C 0.539 176.654 176.094 0.034 0.000 1.018 265 V CA -0.451 61.879 62.300 0.051 0.000 0.841 265 V CB 1.417 33.308 31.823 0.114 0.000 0.991 265 V HN 0.867 nan 8.190 nan 0.000 0.437 266 G N 3.268 112.065 108.800 -0.004 0.000 2.415 266 G HA2 0.487 4.452 3.960 0.008 0.000 0.327 266 G HA3 0.487 4.452 3.960 0.008 0.000 0.327 266 G C -0.567 174.325 174.900 -0.014 0.000 1.182 266 G CA -0.725 44.370 45.100 -0.008 0.000 0.924 266 G HN 0.659 nan 8.290 nan 0.000 0.470 267 K N 1.442 121.841 120.400 -0.002 0.000 2.383 267 K HA 0.333 4.658 4.320 0.008 0.000 0.286 267 K C 0.657 177.247 176.600 -0.016 0.000 1.051 267 K CA -0.120 56.149 56.287 -0.029 0.000 0.974 267 K CB 0.411 32.905 32.500 -0.009 0.000 0.968 267 K HN 0.443 nan 8.250 nan 0.000 0.475 268 G N 6.232 115.013 108.800 -0.030 0.000 4.873 268 G HA2 0.221 4.186 3.960 0.008 0.000 0.314 268 G HA3 0.221 4.186 3.960 0.008 0.000 0.314 268 G C -0.254 174.652 174.900 0.010 0.000 1.426 268 G CA -0.487 44.622 45.100 0.015 0.000 1.136 268 G HN 0.527 nan 8.290 nan 0.000 0.589 269 I N 3.038 123.595 120.570 -0.021 0.000 2.329 269 I HA 0.064 4.239 4.170 0.008 0.000 0.295 269 I C 1.930 178.040 176.117 -0.012 0.000 1.109 269 I CA 0.106 61.389 61.300 -0.029 0.000 1.297 269 I CB 0.181 38.138 38.000 -0.072 0.000 1.433 269 I HN 0.309 nan 8.210 nan 0.000 0.509 270 T N 3.173 117.754 114.554 0.046 0.000 2.995 270 T HA -0.034 4.321 4.350 0.008 0.000 0.269 270 T C 0.314 175.087 174.700 0.122 0.000 1.091 270 T CA 0.689 62.833 62.100 0.074 0.000 1.128 270 T CB 0.039 68.982 68.868 0.126 0.000 0.891 270 T HN 0.284 nan 8.240 nan 0.000 0.492 271 F N 0.861 120.777 119.950 -0.057 0.000 2.604 271 F HA 0.476 5.008 4.527 0.009 0.000 0.316 271 F C -2.177 173.585 175.800 -0.063 0.000 1.136 271 F CA -1.660 56.289 58.000 -0.086 0.000 0.989 271 F CB 2.049 40.997 39.000 -0.086 0.000 1.258 271 F HN -0.134 nan 8.300 nan 0.000 0.451 272 D N 2.922 122.799 120.400 -0.871 0.000 2.472 272 D HA 0.202 4.847 4.640 0.008 0.000 0.234 272 D C 0.894 176.874 176.300 -0.534 0.000 1.088 272 D CA 0.059 53.761 54.000 -0.497 0.000 0.882 272 D CB 1.297 41.887 40.800 -0.350 0.000 1.037 272 D HN 0.614 nan 8.370 nan 0.000 0.520 273 T N 0.351 114.800 114.554 -0.175 0.000 3.085 273 T HA 0.219 4.574 4.350 0.008 0.000 0.263 273 T C 1.573 176.250 174.700 -0.038 0.000 1.127 273 T CA 0.722 62.818 62.100 -0.006 0.000 1.103 273 T CB 0.085 69.032 68.868 0.132 0.000 0.921 273 T HN 0.530 nan 8.240 nan 0.000 0.510 274 G N 0.669 109.427 108.800 -0.069 0.000 2.268 274 G HA2 0.128 4.093 3.960 0.008 0.000 0.240 274 G HA3 0.128 4.093 3.960 0.008 0.000 0.240 274 G C 1.177 176.061 174.900 -0.028 0.000 1.010 274 G CA 0.373 45.444 45.100 -0.048 0.000 0.618 274 G HN 1.758 nan 8.290 nan 0.000 0.516 275 G N 0.224 109.017 108.800 -0.011 0.000 2.512 275 G HA2 -0.138 3.827 3.960 0.008 0.000 0.254 275 G HA3 -0.138 3.827 3.960 0.008 0.000 0.254 275 G C 0.877 175.777 174.900 0.000 0.000 1.199 275 G CA 0.501 45.599 45.100 -0.003 0.000 0.941 275 G HN 0.967 nan 8.290 nan 0.000 0.569 276 I N 1.528 122.097 120.570 -0.001 0.000 2.361 276 I HA -0.049 4.126 4.170 0.008 0.000 0.251 276 I C 2.239 178.356 176.117 0.001 0.000 1.133 276 I CA 1.968 63.269 61.300 0.002 0.000 1.413 276 I CB -1.328 36.673 38.000 0.002 0.000 1.073 276 I HN 0.343 nan 8.210 nan 0.000 0.424 277 S N 2.496 118.194 115.700 -0.004 0.000 4.085 277 S HA 0.115 4.591 4.470 0.008 0.000 0.189 277 S C 0.289 174.884 174.600 -0.007 0.000 1.392 277 S CA -0.339 57.858 58.200 -0.005 0.000 0.972 277 S CB -0.977 62.217 63.200 -0.011 0.000 1.482 277 S HN 0.134 nan 8.310 nan 0.000 0.446 278 L N 2.815 124.037 121.223 -0.000 0.000 2.490 278 L HA 0.143 4.488 4.340 0.008 0.000 0.274 278 L C 0.447 177.318 176.870 0.002 0.000 1.201 278 L CA 0.488 55.331 54.840 0.004 0.000 0.869 278 L CB 0.345 42.411 42.059 0.012 0.000 1.123 278 L HN 0.259 nan 8.230 nan 0.000 0.484 279 K N 5.485 125.885 120.400 -0.001 0.000 2.276 279 K HA 0.246 4.571 4.320 0.008 0.000 0.259 279 K C -2.090 174.517 176.600 0.012 0.000 1.001 279 K CA -1.364 54.922 56.287 -0.001 0.000 0.927 279 K CB -0.094 32.397 32.500 -0.015 0.000 0.969 279 K HN 0.530 nan 8.250 nan 0.000 0.490 280 P HA -0.008 nan 4.420 nan 0.000 0.272 280 P C 0.495 177.811 177.300 0.027 0.000 1.240 280 P CA -0.221 62.890 63.100 0.018 0.000 0.791 280 P CB 0.512 32.221 31.700 0.015 0.000 0.978 281 G N 0.509 109.325 108.800 0.027 0.000 2.421 281 G HA2 -0.001 3.964 3.960 0.008 0.000 0.217 281 G HA3 -0.001 3.964 3.960 0.008 0.000 0.217 281 G C 0.615 175.538 174.900 0.038 0.000 1.143 281 G CA 0.539 45.660 45.100 0.035 0.000 0.784 281 G HN 0.808 nan 8.290 nan 0.000 0.541 282 A N 0.097 122.935 122.820 0.032 0.000 2.522 282 A HA 0.477 4.802 4.320 0.008 0.000 0.256 282 A C 1.697 179.309 177.584 0.047 0.000 1.086 282 A CA 0.873 52.931 52.037 0.034 0.000 0.763 282 A CB -0.568 18.448 19.000 0.027 0.000 1.024 282 A HN 1.741 nan 8.150 nan 0.000 0.502 283 G N 2.102 110.935 108.800 0.056 0.000 2.155 283 G HA2 -0.329 3.636 3.960 0.008 0.000 0.257 283 G HA3 -0.329 3.636 3.960 0.008 0.000 0.257 283 G C 0.833 175.782 174.900 0.082 0.000 0.983 283 G CA 0.702 45.848 45.100 0.077 0.000 0.676 283 G HN 0.869 nan 8.290 nan 0.000 0.528 284 M N 0.750 120.398 119.600 0.080 0.000 2.374 284 M HA -0.048 4.437 4.480 0.008 0.000 0.264 284 M C 2.406 178.811 176.300 0.175 0.000 1.067 284 M CA 2.322 57.683 55.300 0.101 0.000 1.103 284 M CB -0.252 32.431 32.600 0.139 0.000 1.402 284 M HN 0.425 nan 8.290 nan 0.000 0.444 285 D N -0.096 120.388 120.400 0.140 0.000 2.221 285 D HA -0.240 4.405 4.640 0.008 0.000 0.204 285 D C 1.085 177.405 176.300 0.033 0.000 0.982 285 D CA 1.413 55.485 54.000 0.119 0.000 0.857 285 D CB -0.800 40.012 40.800 0.019 0.000 0.934 285 D HN 0.512 nan 8.370 nan 0.000 0.475 286 E N -0.750 119.449 120.200 -0.002 0.000 2.482 286 E HA 0.027 4.382 4.350 0.008 0.000 0.196 286 E C 1.505 177.875 176.600 -0.383 0.000 1.047 286 E CA 0.025 56.338 56.400 -0.144 0.000 0.869 286 E CB -0.048 29.714 29.700 0.104 0.000 0.836 286 E HN 0.258 nan 8.360 nan 0.000 0.520 287 M N 0.872 120.294 119.600 -0.296 0.000 2.686 287 M HA -0.082 4.404 4.480 0.008 0.000 0.246 287 M C 1.782 177.780 176.300 -0.504 0.000 1.096 287 M CA 1.037 56.015 55.300 -0.536 0.000 1.076 287 M CB -0.600 31.482 32.600 -0.864 0.000 1.504 287 M HN 0.079 nan 8.290 nan 0.000 0.524 288 K N -0.594 119.641 120.400 -0.275 0.000 2.442 288 K HA -0.141 4.184 4.320 0.008 0.000 0.198 288 K C 0.727 177.003 176.600 -0.539 0.000 1.042 288 K CA 1.170 57.295 56.287 -0.270 0.000 0.958 288 K CB -0.377 31.899 32.500 -0.373 0.000 0.766 288 K HN 0.215 nan 8.250 nan 0.000 0.474 289 Y N 1.249 121.233 120.300 -0.527 0.000 2.471 289 Y HA 0.065 4.620 4.550 0.009 0.000 0.286 289 Y C 0.980 176.659 175.900 -0.369 0.000 1.188 289 Y CA -0.119 57.624 58.100 -0.595 0.000 1.286 289 Y CB -0.029 37.683 38.460 -1.247 0.000 1.072 289 Y HN 0.161 nan 8.280 nan 0.000 0.517 290 D N 0.257 120.534 120.400 -0.205 0.000 2.363 290 D HA -0.042 4.603 4.640 0.008 0.000 0.226 290 D C 1.193 177.476 176.300 -0.028 0.000 1.020 290 D CA 0.552 54.501 54.000 -0.085 0.000 0.892 290 D CB 0.071 40.778 40.800 -0.155 0.000 0.900 290 D HN 0.313 nan 8.370 nan 0.000 0.531 291 M N -2.399 117.190 119.600 -0.020 0.000 2.404 291 M HA 0.295 4.780 4.480 0.008 0.000 0.271 291 M C 1.296 177.626 176.300 0.050 0.000 1.128 291 M CA -0.272 55.041 55.300 0.021 0.000 0.982 291 M CB -0.749 31.872 32.600 0.036 0.000 1.445 291 M HN -0.167 nan 8.290 nan 0.000 0.495 292 C N 1.273 120.618 119.300 0.075 0.000 2.432 292 C HA 0.092 4.557 4.460 0.008 0.000 0.282 292 C C 2.731 177.760 174.990 0.065 0.000 1.388 292 C CA 1.214 60.289 59.018 0.095 0.000 1.777 292 C CB -1.614 26.227 27.740 0.167 0.000 1.882 292 C HN 0.837 nan 8.230 nan 0.000 0.520 293 G N 0.620 109.454 108.800 0.056 0.000 2.434 293 G HA2 -0.050 3.915 3.960 0.008 0.000 0.214 293 G HA3 -0.050 3.915 3.960 0.008 0.000 0.214 293 G C 1.914 176.825 174.900 0.018 0.000 1.202 293 G CA 0.978 46.097 45.100 0.031 0.000 0.788 293 G HN 0.570 nan 8.290 nan 0.000 0.539 294 A N 1.194 124.027 122.820 0.022 0.000 1.908 294 A HA 0.176 4.501 4.320 0.008 0.000 0.218 294 A C 2.812 180.438 177.584 0.070 0.000 1.181 294 A CA 2.508 54.551 52.037 0.011 0.000 0.627 294 A CB -0.847 18.174 19.000 0.035 0.000 0.818 294 A HN 0.873 nan 8.150 nan 0.000 0.445 295 A N 0.176 123.054 122.820 0.096 0.000 1.933 295 A HA -0.084 4.241 4.320 0.008 0.000 0.218 295 A C 2.496 180.096 177.584 0.027 0.000 1.175 295 A CA 2.296 54.377 52.037 0.074 0.000 0.628 295 A CB -0.927 18.076 19.000 0.005 0.000 0.814 295 A HN 1.070 nan 8.150 nan 0.000 0.444 296 S N -0.593 115.119 115.700 0.020 0.000 2.423 296 S HA -0.072 4.403 4.470 0.008 0.000 0.231 296 S C 1.700 176.306 174.600 0.012 0.000 1.014 296 S CA 1.270 59.475 58.200 0.009 0.000 0.965 296 S CB -0.621 62.579 63.200 -0.000 0.000 0.785 296 S HN 0.222 nan 8.310 nan 0.000 0.495 297 V N 0.730 120.641 119.914 -0.005 0.000 2.379 297 V HA -0.028 4.097 4.120 0.008 0.000 0.245 297 V C 2.216 178.302 176.094 -0.013 0.000 1.044 297 V CA 1.626 63.902 62.300 -0.040 0.000 1.036 297 V CB -1.016 30.749 31.823 -0.098 0.000 0.664 297 V HN 0.415 nan 8.190 nan 0.000 0.453 298 F N 1.627 121.524 119.950 -0.087 0.000 2.120 298 F HA -0.139 4.393 4.527 0.008 0.000 0.300 298 F C 2.366 178.180 175.800 0.024 0.000 1.095 298 F CA 1.806 59.749 58.000 -0.095 0.000 1.249 298 F CB -1.196 37.528 39.000 -0.459 0.000 0.995 298 F HN 0.201 nan 8.300 nan 0.000 0.480 299 G N -1.679 107.220 108.800 0.164 0.000 2.402 299 G HA2 -0.182 3.783 3.960 0.008 0.000 0.216 299 G HA3 -0.182 3.783 3.960 0.008 0.000 0.216 299 G C 1.718 176.704 174.900 0.145 0.000 1.162 299 G CA 1.307 46.527 45.100 0.200 0.000 0.777 299 G HN 0.315 nan 8.290 nan 0.000 0.539 300 T N 1.212 115.811 114.554 0.075 0.000 2.746 300 T HA -0.118 4.237 4.350 0.008 0.000 0.267 300 T C 2.249 176.949 174.700 0.001 0.000 1.039 300 T CA 1.172 63.288 62.100 0.027 0.000 1.142 300 T CB -0.247 68.625 68.868 0.006 0.000 0.866 300 T HN 0.135 nan 8.240 nan 0.000 0.444 301 L N 1.552 122.784 121.223 0.015 0.000 2.042 301 L HA -0.033 4.312 4.340 0.008 0.000 0.210 301 L C 2.450 179.279 176.870 -0.068 0.000 1.076 301 L CA 1.813 56.624 54.840 -0.049 0.000 0.749 301 L CB -0.558 41.499 42.059 -0.003 0.000 0.893 301 L HN 0.015 nan 8.230 nan 0.000 0.432 302 R N 0.073 120.622 120.500 0.082 0.000 2.091 302 R HA -0.101 4.244 4.340 0.008 0.000 0.238 302 R C 2.156 178.441 176.300 -0.026 0.000 1.136 302 R CA 1.741 57.865 56.100 0.040 0.000 0.959 302 R CB -0.878 29.545 30.300 0.205 0.000 0.856 302 R HN 0.507 nan 8.270 nan 0.000 0.437 303 A N -0.315 122.507 122.820 0.004 0.000 1.902 303 A HA -0.087 4.239 4.320 0.008 0.000 0.217 303 A C 2.328 179.865 177.584 -0.077 0.000 1.181 303 A CA 1.713 53.741 52.037 -0.016 0.000 0.623 303 A CB -0.693 18.309 19.000 0.002 0.000 0.818 303 A HN 0.199 nan 8.150 nan 0.000 0.443 304 V N 0.077 119.904 119.914 -0.144 0.000 2.343 304 V HA -0.253 3.872 4.120 0.008 0.000 0.247 304 V C 2.558 178.457 176.094 -0.325 0.000 1.051 304 V CA 1.917 64.076 62.300 -0.235 0.000 1.036 304 V CB -0.747 30.883 31.823 -0.321 0.000 0.654 304 V HN 0.566 nan 8.190 nan 0.000 0.451 305 L N -0.182 120.809 121.223 -0.385 0.000 2.046 305 L HA -0.221 4.124 4.340 0.008 0.000 0.208 305 L C 2.595 179.399 176.870 -0.111 0.000 1.077 305 L CA 2.065 56.695 54.840 -0.350 0.000 0.747 305 L CB -0.563 41.190 42.059 -0.511 0.000 0.896 305 L HN 0.415 nan 8.230 nan 0.000 0.432 306 E N 0.515 120.674 120.200 -0.068 0.000 2.110 306 E HA -0.210 4.145 4.350 0.008 0.000 0.193 306 E C 2.183 178.802 176.600 0.031 0.000 0.988 306 E CA 1.040 57.447 56.400 0.012 0.000 0.804 306 E CB 0.030 29.744 29.700 0.022 0.000 0.745 306 E HN 0.487 nan 8.360 nan 0.000 0.458 307 L N 0.242 121.473 121.223 0.013 0.000 2.509 307 L HA 0.021 4.366 4.340 0.008 0.000 0.222 307 L C 0.416 177.320 176.870 0.057 0.000 1.123 307 L CA 0.035 54.903 54.840 0.046 0.000 0.856 307 L CB 0.152 42.226 42.059 0.024 0.000 0.985 307 L HN 0.122 nan 8.230 nan 0.000 0.456 308 Q N 1.042 120.874 119.800 0.053 0.000 2.435 308 Q HA -0.194 4.151 4.340 0.008 0.000 0.312 308 Q C -0.208 175.892 176.000 0.167 0.000 1.333 308 Q CA 0.779 56.666 55.803 0.140 0.000 0.883 308 Q CB -1.911 26.908 28.738 0.135 0.000 1.170 308 Q HN 0.480 nan 8.270 nan 0.000 0.443 309 L N 1.757 123.059 121.223 0.132 0.000 2.485 309 L HA 0.060 4.405 4.340 0.008 0.000 0.275 309 L C -1.121 175.874 176.870 0.209 0.000 1.207 309 L CA -0.993 53.919 54.840 0.121 0.000 0.855 309 L CB 0.031 42.116 42.059 0.043 0.000 1.114 309 L HN -0.003 nan 8.230 nan 0.000 0.485 310 P HA 0.122 nan 4.420 nan 0.000 0.214 310 P C -0.785 176.577 177.300 0.105 0.000 1.826 310 P CA 0.016 63.173 63.100 0.095 0.000 0.977 310 P CB 0.033 31.768 31.700 0.058 0.000 1.930 311 V N -1.166 118.850 119.914 0.170 0.000 3.040 311 V HA 0.536 4.661 4.120 0.008 0.000 0.312 311 V C -0.450 175.760 176.094 0.193 0.000 1.115 311 V CA -1.443 60.988 62.300 0.219 0.000 0.998 311 V CB 2.158 34.137 31.823 0.260 0.000 1.042 311 V HN 0.001 nan 8.190 nan 0.000 0.433 312 N N 2.045 120.855 118.700 0.182 0.000 2.419 312 N HA 0.610 5.355 4.740 0.008 0.000 0.264 312 N C -1.169 174.479 175.510 0.231 0.000 1.031 312 N CA -0.420 52.693 53.050 0.106 0.000 0.951 312 N CB 1.537 40.041 38.487 0.030 0.000 1.101 312 N HN 0.686 nan 8.380 nan 0.000 0.488 313 L N 3.950 125.324 121.223 0.252 0.000 2.372 313 L HA 0.485 4.830 4.340 0.008 0.000 0.274 313 L C -1.297 175.628 176.870 0.091 0.000 0.988 313 L CA -0.743 54.235 54.840 0.231 0.000 0.833 313 L CB 1.596 43.816 42.059 0.268 0.000 1.236 313 L HN 0.197 nan 8.230 nan 0.000 0.410 314 V N 4.649 124.540 119.914 -0.038 0.000 2.370 314 V HA 0.413 4.538 4.120 0.008 0.000 0.283 314 V C -0.389 175.606 176.094 -0.165 0.000 1.023 314 V CA -0.466 61.706 62.300 -0.215 0.000 0.857 314 V CB 1.338 32.797 31.823 -0.607 0.000 0.985 314 V HN 0.869 nan 8.190 nan 0.000 0.443 315 C N 6.609 125.829 119.300 -0.132 0.000 2.303 315 C HA 0.670 5.135 4.460 0.008 0.000 0.326 315 C C 0.017 174.938 174.990 -0.116 0.000 1.285 315 C CA -0.819 58.130 59.018 -0.115 0.000 1.675 315 C CB 0.184 27.843 27.740 -0.134 0.000 2.289 315 C HN 0.719 nan 8.230 nan 0.000 0.512 316 L N 4.585 125.762 121.223 -0.076 0.000 2.343 316 L HA 0.538 4.883 4.340 0.008 0.000 0.278 316 L C -0.677 176.169 176.870 -0.040 0.000 0.996 316 L CA -0.249 54.576 54.840 -0.025 0.000 0.831 316 L CB 0.850 42.950 42.059 0.069 0.000 1.232 316 L HN 0.515 nan 8.230 nan 0.000 0.413 317 L N 3.647 124.835 121.223 -0.059 0.000 2.276 317 L HA 0.616 4.961 4.340 0.008 0.000 0.286 317 L C 0.308 177.200 176.870 0.037 0.000 1.024 317 L CA -0.507 54.298 54.840 -0.057 0.000 0.826 317 L CB 1.681 43.654 42.059 -0.144 0.000 1.211 317 L HN 0.653 nan 8.230 nan 0.000 0.422 318 A N 3.493 126.319 122.820 0.011 0.000 2.478 318 A HA 0.532 4.857 4.320 0.008 0.000 0.327 318 A C -0.297 177.255 177.584 -0.053 0.000 1.431 318 A CA -0.324 51.695 52.037 -0.029 0.000 1.014 318 A CB -0.062 18.736 19.000 -0.336 0.000 1.143 318 A HN 0.761 nan 8.150 nan 0.000 0.532 319 C N 2.162 121.582 119.300 0.200 0.000 2.351 319 C HA 0.944 5.409 4.460 0.008 0.000 0.326 319 C C 0.670 175.801 174.990 0.234 0.000 1.272 319 C CA 0.053 59.166 59.018 0.159 0.000 1.650 319 C CB 0.355 28.201 27.740 0.175 0.000 2.257 319 C HN 1.094 nan 8.230 nan 0.000 0.505 320 A N 2.275 125.174 122.820 0.131 0.000 2.599 320 A HA 0.814 5.139 4.320 0.008 0.000 0.290 320 A C -1.571 176.060 177.584 0.078 0.000 1.101 320 A CA -0.474 51.640 52.037 0.129 0.000 0.674 320 A CB 1.181 20.258 19.000 0.129 0.000 1.277 320 A HN 0.807 nan 8.150 nan 0.000 0.419 321 E N 0.708 120.949 120.200 0.069 0.000 2.191 321 E HA 0.399 4.754 4.350 0.008 0.000 0.263 321 E C -1.334 175.294 176.600 0.047 0.000 0.881 321 E CA -0.627 55.817 56.400 0.074 0.000 0.757 321 E CB 1.074 30.830 29.700 0.093 0.000 1.147 321 E HN 0.541 nan 8.360 nan 0.000 0.414 322 N N 5.498 124.218 118.700 0.033 0.000 2.500 322 N HA 0.217 4.962 4.740 0.008 0.000 0.236 322 N C -1.224 174.309 175.510 0.038 0.000 1.022 322 N CA -0.104 52.950 53.050 0.007 0.000 0.935 322 N CB 0.450 38.915 38.487 -0.037 0.000 1.147 322 N HN 0.470 nan 8.380 nan 0.000 0.512 323 M N 3.290 122.908 119.600 0.031 0.000 2.591 323 M HA 0.508 4.993 4.480 0.008 0.000 0.306 323 M C -2.478 173.833 176.300 0.018 0.000 1.190 323 M CA -2.114 53.211 55.300 0.041 0.000 0.889 323 M CB 1.842 34.462 32.600 0.034 0.000 1.728 323 M HN 0.294 nan 8.290 nan 0.000 0.458 324 P HA 0.469 nan 4.420 nan 0.000 0.282 324 P C -0.932 176.371 177.300 0.005 0.000 1.249 324 P CA -0.128 62.978 63.100 0.010 0.000 0.806 324 P CB 1.372 33.080 31.700 0.014 0.000 0.984 325 S N -0.074 115.627 115.700 0.001 0.000 2.663 325 S HA 0.440 4.915 4.470 0.008 0.000 0.264 325 S C 0.934 175.534 174.600 0.000 0.000 1.112 325 S CA -0.193 58.007 58.200 -0.001 0.000 0.823 325 S CB 0.218 63.416 63.200 -0.004 0.000 1.111 325 S HN 0.417 nan 8.310 nan 0.000 0.476 326 G N -0.389 108.412 108.800 0.000 0.000 2.679 326 G HA2 0.364 4.329 3.960 0.008 0.000 0.212 326 G HA3 0.364 4.329 3.960 0.008 0.000 0.212 326 G C 0.869 175.773 174.900 0.005 0.000 1.137 326 G CA 0.501 45.603 45.100 0.003 0.000 0.787 326 G HN 1.456 nan 8.290 nan 0.000 0.534 327 G N -0.535 108.267 108.800 0.003 0.000 3.519 327 G HA2 0.518 4.483 3.960 0.008 0.000 0.269 327 G HA3 0.518 4.483 3.960 0.008 0.000 0.269 327 G C 0.539 175.439 174.900 0.001 0.000 1.028 327 G CA 0.603 45.707 45.100 0.007 0.000 0.809 327 G HN 0.558 nan 8.290 nan 0.000 0.521 328 A N 0.254 123.073 122.820 -0.002 0.000 2.366 328 A HA 0.603 4.928 4.320 0.008 0.000 0.249 328 A C 0.777 178.362 177.584 0.002 0.000 1.084 328 A CA 0.013 52.045 52.037 -0.007 0.000 0.794 328 A CB 0.149 19.146 19.000 -0.006 0.000 1.034 328 A HN 0.132 nan 8.150 nan 0.000 0.491 329 T N 1.744 116.299 114.554 0.001 0.000 2.946 329 T HA 0.240 4.595 4.350 0.008 0.000 0.311 329 T C 0.455 175.161 174.700 0.010 0.000 1.063 329 T CA 0.704 62.812 62.100 0.014 0.000 1.139 329 T CB -0.056 68.821 68.868 0.015 0.000 0.994 329 T HN 0.592 nan 8.240 nan 0.000 0.547 330 R N 3.385 123.894 120.500 0.015 0.000 2.540 330 R HA 0.387 4.732 4.340 0.008 0.000 0.287 330 R C -2.627 173.681 176.300 0.012 0.000 0.980 330 R CA -2.170 53.936 56.100 0.010 0.000 0.966 330 R CB 0.601 30.906 30.300 0.008 0.000 1.106 330 R HN 0.342 nan 8.270 nan 0.000 0.480 331 P HA -0.042 nan 4.420 nan 0.000 0.262 331 P C 0.505 177.815 177.300 0.017 0.000 1.182 331 P CA 1.122 64.231 63.100 0.015 0.000 0.761 331 P CB 0.582 32.291 31.700 0.014 0.000 0.795 332 G N 2.029 110.845 108.800 0.026 0.000 2.213 332 G HA2 -0.187 3.778 3.960 0.008 0.000 0.236 332 G HA3 -0.187 3.778 3.960 0.008 0.000 0.236 332 G C 0.004 174.908 174.900 0.007 0.000 0.991 332 G CA -0.364 44.746 45.100 0.016 0.000 0.629 332 G HN 0.488 nan 8.290 nan 0.000 0.517 333 D N 0.479 120.891 120.400 0.020 0.000 2.423 333 D HA 0.481 5.126 4.640 0.008 0.000 0.238 333 D C 0.778 177.107 176.300 0.047 0.000 1.142 333 D CA 0.503 54.519 54.000 0.027 0.000 0.884 333 D CB 0.792 41.615 40.800 0.040 0.000 1.199 333 D HN 0.382 nan 8.370 nan 0.000 0.438 334 I N 1.619 122.216 120.570 0.046 0.000 2.436 334 I HA 0.283 4.458 4.170 0.008 0.000 0.289 334 I C -0.122 176.041 176.117 0.077 0.000 1.010 334 I CA -0.985 60.358 61.300 0.072 0.000 1.098 334 I CB 1.719 39.758 38.000 0.065 0.000 1.266 334 I HN 0.071 nan 8.210 nan 0.000 0.434 335 V N 1.435 121.409 119.914 0.100 0.000 2.960 335 V HA 0.650 4.775 4.120 0.008 0.000 0.315 335 V C -0.189 175.970 176.094 0.108 0.000 1.087 335 V CA -0.453 61.910 62.300 0.104 0.000 0.982 335 V CB 1.807 33.706 31.823 0.126 0.000 1.039 335 V HN 0.656 nan 8.190 nan 0.000 0.437 336 T N 2.995 117.605 114.554 0.093 0.000 2.744 336 T HA 0.533 4.888 4.350 0.008 0.000 0.291 336 T C 0.433 175.200 174.700 0.112 0.000 0.957 336 T CA 0.161 62.316 62.100 0.091 0.000 1.002 336 T CB 0.790 69.694 68.868 0.060 0.000 0.919 336 T HN 1.221 nan 8.240 nan 0.000 0.468 337 T N 1.278 115.920 114.554 0.146 0.000 2.816 337 T HA 0.287 4.642 4.350 0.008 0.000 0.282 337 T C 1.623 176.413 174.700 0.149 0.000 0.993 337 T CA -0.849 61.358 62.100 0.178 0.000 0.994 337 T CB 0.645 69.690 68.868 0.295 0.000 1.025 337 T HN 0.573 nan 8.240 nan 0.000 0.529 338 M N 1.366 121.060 119.600 0.157 0.000 2.202 338 M HA -0.133 4.352 4.480 0.008 0.000 0.262 338 M C 2.200 178.568 176.300 0.112 0.000 1.063 338 M CA 2.192 57.569 55.300 0.129 0.000 1.097 338 M CB -0.485 32.208 32.600 0.156 0.000 1.382 338 M HN 0.903 nan 8.290 nan 0.000 0.413 339 S N -0.975 114.814 115.700 0.149 0.000 2.507 339 S HA 0.084 4.559 4.470 0.008 0.000 0.235 339 S C 1.584 176.201 174.600 0.027 0.000 0.988 339 S CA 0.952 59.202 58.200 0.083 0.000 0.944 339 S CB -0.415 62.837 63.200 0.087 0.000 0.762 339 S HN 0.805 nan 8.310 nan 0.000 0.526 340 G N 0.229 109.060 108.800 0.052 0.000 2.234 340 G HA2 -0.256 3.709 3.960 0.008 0.000 0.235 340 G HA3 -0.256 3.709 3.960 0.008 0.000 0.235 340 G C -0.061 174.849 174.900 0.016 0.000 0.997 340 G CA 0.052 45.166 45.100 0.024 0.000 0.623 340 G HN 0.612 nan 8.290 nan 0.000 0.514 341 Q N 1.879 121.680 119.800 0.001 0.000 2.330 341 Q HA 0.440 4.785 4.340 0.008 0.000 0.279 341 Q C 0.770 176.810 176.000 0.067 0.000 1.024 341 Q CA 0.864 56.653 55.803 -0.023 0.000 0.900 341 Q CB 0.610 29.251 28.738 -0.161 0.000 1.221 341 Q HN 0.566 nan 8.270 nan 0.000 0.396 342 T N -1.529 113.058 114.554 0.055 0.000 2.909 342 T HA 0.586 4.941 4.350 0.008 0.000 0.286 342 T C -0.203 174.577 174.700 0.134 0.000 1.002 342 T CA -0.837 61.321 62.100 0.097 0.000 1.074 342 T CB 1.117 70.034 68.868 0.081 0.000 0.984 342 T HN 0.266 nan 8.240 nan 0.000 0.495 343 V N 2.211 122.229 119.914 0.173 0.000 2.531 343 V HA 0.415 4.540 4.120 0.008 0.000 0.301 343 V C -0.025 176.180 176.094 0.185 0.000 1.034 343 V CA -0.942 61.494 62.300 0.227 0.000 0.865 343 V CB 1.647 33.666 31.823 0.327 0.000 0.995 343 V HN 1.057 nan 8.190 nan 0.000 0.424 344 E N 4.464 124.775 120.200 0.186 0.000 2.152 344 E HA 0.371 4.726 4.350 0.008 0.000 0.285 344 E C -0.690 175.990 176.600 0.133 0.000 1.043 344 E CA -0.460 56.033 56.400 0.157 0.000 0.839 344 E CB 0.793 30.605 29.700 0.187 0.000 1.069 344 E HN 0.633 nan 8.360 nan 0.000 0.399 345 I N 7.232 127.860 120.570 0.096 0.000 2.243 345 I HA 0.003 4.179 4.170 0.008 0.000 0.297 345 I C 1.045 177.188 176.117 0.045 0.000 1.161 345 I CA -0.057 61.278 61.300 0.058 0.000 1.298 345 I CB 0.342 38.369 38.000 0.045 0.000 1.475 345 I HN 0.652 nan 8.210 nan 0.000 0.561 346 L N 4.123 125.372 121.223 0.045 0.000 2.240 346 L HA 0.037 4.382 4.340 0.008 0.000 0.211 346 L C 0.948 177.829 176.870 0.018 0.000 1.106 346 L CA 0.868 55.733 54.840 0.043 0.000 0.793 346 L CB -0.192 41.899 42.059 0.053 0.000 0.927 346 L HN 0.615 nan 8.230 nan 0.000 0.446 347 N N -0.929 117.769 118.700 -0.003 0.000 2.454 347 N HA 0.054 4.800 4.740 0.008 0.000 0.291 347 N C 0.546 176.038 175.510 -0.030 0.000 1.079 347 N CA 0.101 53.142 53.050 -0.015 0.000 0.893 347 N CB 1.784 40.259 38.487 -0.021 0.000 1.512 347 N HN -0.075 nan 8.380 nan 0.000 0.497 348 T N -0.874 113.666 114.554 -0.023 0.000 3.118 348 T HA -0.031 4.325 4.350 0.008 0.000 0.260 348 T C 0.846 175.519 174.700 -0.046 0.000 1.139 348 T CA 0.697 62.779 62.100 -0.030 0.000 1.085 348 T CB 0.082 68.939 68.868 -0.017 0.000 0.934 348 T HN 0.336 nan 8.240 nan 0.000 0.518 349 D N 1.464 121.836 120.400 -0.047 0.000 2.339 349 D HA 0.276 4.921 4.640 0.008 0.000 0.217 349 D C 0.910 177.165 176.300 -0.075 0.000 1.050 349 D CA -0.046 53.919 54.000 -0.058 0.000 0.856 349 D CB -0.194 40.579 40.800 -0.046 0.000 0.922 349 D HN 0.532 nan 8.370 nan 0.000 0.518 350 A N 1.133 123.898 122.820 -0.091 0.000 3.245 350 A HA 0.189 4.514 4.320 0.008 0.000 0.282 350 A C 1.282 178.766 177.584 -0.167 0.000 1.417 350 A CA -0.400 51.556 52.037 -0.136 0.000 1.149 350 A CB -0.138 18.764 19.000 -0.163 0.000 1.155 350 A HN 0.172 nan 8.150 nan 0.000 0.602 351 E N 0.456 120.577 120.200 -0.131 0.000 2.307 351 E HA -0.000 4.355 4.350 0.008 0.000 0.195 351 E C 1.483 177.994 176.600 -0.148 0.000 0.975 351 E CA 1.144 57.468 56.400 -0.126 0.000 0.878 351 E CB -0.828 28.815 29.700 -0.095 0.000 0.845 351 E HN 0.381 nan 8.360 nan 0.000 0.488 352 G N 2.908 111.628 108.800 -0.134 0.000 2.418 352 G HA2 -0.338 3.627 3.960 0.008 0.000 0.217 352 G HA3 -0.338 3.627 3.960 0.008 0.000 0.217 352 G C 1.886 176.699 174.900 -0.145 0.000 1.158 352 G CA 1.322 46.346 45.100 -0.127 0.000 0.771 352 G HN 0.444 nan 8.290 nan 0.000 0.545 353 R N 0.257 120.652 120.500 -0.176 0.000 2.148 353 R HA 0.140 4.485 4.340 0.008 0.000 0.227 353 R C 2.233 178.445 176.300 -0.146 0.000 1.103 353 R CA 0.961 56.952 56.100 -0.182 0.000 0.983 353 R CB -0.580 29.489 30.300 -0.385 0.000 0.874 353 R HN 0.390 nan 8.270 nan 0.000 0.451 354 L N 1.642 122.753 121.223 -0.186 0.000 2.044 354 L HA -0.095 4.250 4.340 0.008 0.000 0.205 354 L C 2.750 179.532 176.870 -0.147 0.000 1.075 354 L CA 1.099 55.879 54.840 -0.099 0.000 0.747 354 L CB -0.548 41.468 42.059 -0.072 0.000 0.903 354 L HN 0.154 nan 8.230 nan 0.000 0.435 355 V N -2.303 117.443 119.914 -0.280 0.000 2.515 355 V HA -0.197 3.928 4.120 0.008 0.000 0.250 355 V C 2.214 178.040 176.094 -0.446 0.000 1.058 355 V CA 1.285 63.210 62.300 -0.625 0.000 1.064 355 V CB -0.635 30.581 31.823 -1.012 0.000 0.675 355 V HN 0.332 nan 8.190 nan 0.000 0.461 356 L N 0.929 122.001 121.223 -0.252 0.000 2.093 356 L HA -0.136 4.209 4.340 0.008 0.000 0.208 356 L C 3.055 179.850 176.870 -0.124 0.000 1.085 356 L CA 1.750 56.514 54.840 -0.127 0.000 0.755 356 L CB -0.826 41.208 42.059 -0.042 0.000 0.904 356 L HN 0.708 nan 8.230 nan 0.000 0.435 357 C N -1.385 117.765 119.300 -0.251 0.000 2.429 357 C HA -0.119 4.347 4.460 0.008 0.000 0.277 357 C C 2.248 177.025 174.990 -0.355 0.000 1.262 357 C CA 0.407 59.045 59.018 -0.634 0.000 1.733 357 C CB -0.802 26.032 27.740 -1.511 0.000 2.010 357 C HN 0.468 nan 8.230 nan 0.000 0.483 358 D N 0.921 121.249 120.400 -0.120 0.000 2.178 358 D HA -0.045 4.600 4.640 0.008 0.000 0.202 358 D C 2.372 178.798 176.300 0.211 0.000 0.974 358 D CA 1.915 55.980 54.000 0.109 0.000 0.841 358 D CB -0.417 40.525 40.800 0.238 0.000 0.953 358 D HN 0.583 nan 8.370 nan 0.000 0.478 359 T N 1.014 115.679 114.554 0.185 0.000 2.904 359 T HA -0.011 4.344 4.350 0.008 0.000 0.267 359 T C 2.234 177.098 174.700 0.273 0.000 1.059 359 T CA 0.332 62.577 62.100 0.241 0.000 1.137 359 T CB -0.064 68.898 68.868 0.157 0.000 0.879 359 T HN 0.120 nan 8.240 nan 0.000 0.467 360 L N 0.855 122.197 121.223 0.199 0.000 2.083 360 L HA -0.117 4.228 4.340 0.008 0.000 0.209 360 L C 2.878 179.947 176.870 0.332 0.000 1.083 360 L CA 1.173 56.177 54.840 0.273 0.000 0.752 360 L CB -1.014 41.146 42.059 0.169 0.000 0.899 360 L HN 0.275 nan 8.230 nan 0.000 0.433 361 T N -1.529 113.184 114.554 0.265 0.000 2.821 361 T HA -0.243 4.112 4.350 0.008 0.000 0.267 361 T C 1.689 176.538 174.700 0.248 0.000 1.046 361 T CA 1.196 63.437 62.100 0.236 0.000 1.139 361 T CB -0.364 68.634 68.868 0.217 0.000 0.871 361 T HN 0.294 nan 8.240 nan 0.000 0.454 362 Y N 2.053 122.460 120.300 0.178 0.000 2.207 362 Y HA -0.065 4.490 4.550 0.008 0.000 0.287 362 Y C 2.478 178.506 175.900 0.213 0.000 1.156 362 Y CA 0.893 59.093 58.100 0.166 0.000 1.182 362 Y CB -0.507 38.068 38.460 0.192 0.000 0.979 362 Y HN 0.197 nan 8.280 nan 0.000 0.521 363 A N 0.054 123.121 122.820 0.412 0.000 2.070 363 A HA -0.178 4.147 4.320 0.008 0.000 0.220 363 A C 1.969 179.743 177.584 0.318 0.000 1.159 363 A CA 1.581 53.881 52.037 0.438 0.000 0.656 363 A CB -0.635 18.529 19.000 0.274 0.000 0.800 363 A HN 0.661 nan 8.150 nan 0.000 0.453 364 E N -0.024 120.344 120.200 0.280 0.000 2.160 364 E HA -0.252 4.103 4.350 0.008 0.000 0.195 364 E C 2.153 178.758 176.600 0.008 0.000 0.991 364 E CA 1.287 57.828 56.400 0.235 0.000 0.810 364 E CB -0.267 29.513 29.700 0.134 0.000 0.742 364 E HN 0.831 nan 8.360 nan 0.000 0.466 365 R N 0.559 120.914 120.500 -0.242 0.000 2.200 365 R HA -0.139 4.206 4.340 0.008 0.000 0.234 365 R C 1.394 177.409 176.300 -0.475 0.000 1.127 365 R CA 1.338 57.165 56.100 -0.455 0.000 0.989 365 R CB -0.513 29.342 30.300 -0.742 0.000 0.869 365 R HN 0.130 nan 8.270 nan 0.000 0.459 366 F N 1.603 121.524 119.950 -0.048 0.000 2.780 366 F HA 0.205 4.737 4.527 0.008 0.000 0.299 366 F C 0.348 176.131 175.800 -0.027 0.000 1.146 366 F CA 0.034 58.014 58.000 -0.034 0.000 1.428 366 F CB 0.077 39.061 39.000 -0.025 0.000 1.115 366 F HN -0.143 nan 8.300 nan 0.000 0.583 367 K N 0.118 120.574 120.400 0.094 0.000 3.451 367 K HA -0.180 4.145 4.320 0.008 0.000 0.273 367 K C -2.672 173.966 176.600 0.064 0.000 0.944 367 K CA 0.231 56.564 56.287 0.076 0.000 0.734 367 K CB -1.935 30.585 32.500 0.033 0.000 1.437 367 K HN 0.246 nan 8.250 nan 0.000 0.454 368 P HA 0.015 nan 4.420 nan 0.000 0.276 368 P C 0.706 177.978 177.300 -0.048 0.000 1.244 368 P CA -0.230 62.851 63.100 -0.033 0.000 0.801 368 P CB 0.582 32.223 31.700 -0.099 0.000 1.006 369 Q N 0.783 120.486 119.800 -0.160 0.000 2.398 369 Q HA 0.333 4.678 4.340 0.008 0.000 0.204 369 Q C 0.046 176.033 176.000 -0.022 0.000 0.932 369 Q CA 0.177 55.904 55.803 -0.127 0.000 0.916 369 Q CB 0.225 28.811 28.738 -0.254 0.000 1.024 369 Q HN 0.435 nan 8.270 nan 0.000 0.504 370 A N 0.335 123.144 122.820 -0.018 0.000 2.540 370 A HA 0.585 4.910 4.320 0.008 0.000 0.297 370 A C -1.499 176.118 177.584 0.055 0.000 1.056 370 A CA -0.641 51.475 52.037 0.131 0.000 0.700 370 A CB 2.161 21.376 19.000 0.358 0.000 1.280 370 A HN 0.051 nan 8.150 nan 0.000 0.398 371 V N 2.896 122.831 119.914 0.034 0.000 2.483 371 V HA 0.551 4.676 4.120 0.008 0.000 0.297 371 V C -0.644 175.524 176.094 0.122 0.000 1.027 371 V CA -0.183 62.110 62.300 -0.011 0.000 0.855 371 V CB 1.431 33.060 31.823 -0.323 0.000 0.995 371 V HN 0.717 nan 8.190 nan 0.000 0.424 372 I N 4.740 125.347 120.570 0.062 0.000 2.436 372 I HA 0.469 4.644 4.170 0.008 0.000 0.289 372 I C -1.026 175.127 176.117 0.059 0.000 1.010 372 I CA -0.590 60.697 61.300 -0.022 0.000 1.098 372 I CB 2.167 40.083 38.000 -0.140 0.000 1.266 372 I HN 0.704 nan 8.210 nan 0.000 0.434 373 D N 7.096 127.565 120.400 0.115 0.000 2.192 373 D HA 0.634 5.279 4.640 0.008 0.000 0.246 373 D C -0.759 175.608 176.300 0.111 0.000 1.042 373 D CA -0.378 53.736 54.000 0.190 0.000 0.847 373 D CB 1.902 42.929 40.800 0.378 0.000 1.186 373 D HN 0.220 nan 8.370 nan 0.000 0.461 374 I N 1.020 121.635 120.570 0.075 0.000 2.447 374 I HA 0.684 4.859 4.170 0.008 0.000 0.287 374 I C -0.521 175.625 176.117 0.047 0.000 1.023 374 I CA -0.550 60.759 61.300 0.016 0.000 1.083 374 I CB 1.941 39.929 38.000 -0.020 0.000 1.245 374 I HN 0.701 nan 8.210 nan 0.000 0.434 375 A N 2.669 125.516 122.820 0.046 0.000 2.547 375 A HA 0.682 5.007 4.320 0.008 0.000 0.297 375 A C -0.233 177.387 177.584 0.059 0.000 1.056 375 A CA -0.684 51.397 52.037 0.074 0.000 0.688 375 A CB 1.219 20.303 19.000 0.140 0.000 1.282 375 A HN 0.673 nan 8.150 nan 0.000 0.400 376 T N 1.198 115.801 114.554 0.081 0.000 4.104 376 T HA 0.305 4.660 4.350 0.008 0.000 0.285 376 T C 0.676 175.426 174.700 0.083 0.000 1.346 376 T CA 0.007 62.175 62.100 0.113 0.000 1.158 376 T CB -0.350 68.668 68.868 0.250 0.000 1.290 376 T HN 0.528 nan 8.240 nan 0.000 0.975 377 L N 2.541 123.802 121.223 0.063 0.000 2.221 377 L HA 0.319 4.664 4.340 0.008 0.000 0.202 377 L C 1.103 177.991 176.870 0.030 0.000 1.074 377 L CA 1.073 55.951 54.840 0.064 0.000 0.795 377 L CB 0.212 42.362 42.059 0.151 0.000 0.960 377 L HN 0.822 nan 8.230 nan 0.000 0.458 378 T N -4.768 109.796 114.554 0.018 0.000 2.921 378 T HA 0.495 4.850 4.350 0.008 0.000 0.297 378 T C 0.920 175.605 174.700 -0.025 0.000 1.013 378 T CA -0.317 61.782 62.100 -0.003 0.000 0.990 378 T CB 1.358 70.227 68.868 0.002 0.000 1.023 378 T HN 0.093 nan 8.240 nan 0.000 0.447 379 G N 1.411 110.197 108.800 -0.023 0.000 2.450 379 G HA2 -0.010 3.955 3.960 0.008 0.000 0.220 379 G HA3 -0.010 3.955 3.960 0.008 0.000 0.220 379 G C 1.644 176.516 174.900 -0.048 0.000 1.130 379 G CA 0.737 45.815 45.100 -0.038 0.000 0.760 379 G HN 1.197 nan 8.290 nan 0.000 0.557 380 A N -0.215 122.584 122.820 -0.035 0.000 2.024 380 A HA -0.141 4.184 4.320 0.008 0.000 0.220 380 A C 2.515 180.069 177.584 -0.050 0.000 1.164 380 A CA 1.747 53.762 52.037 -0.036 0.000 0.643 380 A CB -1.066 17.919 19.000 -0.025 0.000 0.806 380 A HN 0.489 nan 8.150 nan 0.000 0.451 381 C N -0.621 118.645 119.300 -0.057 0.000 2.435 381 C HA 0.028 4.493 4.460 0.008 0.000 0.279 381 C C 2.507 177.438 174.990 -0.098 0.000 1.321 381 C CA 0.849 59.824 59.018 -0.072 0.000 1.752 381 C CB -1.381 26.313 27.740 -0.076 0.000 1.959 381 C HN 0.612 nan 8.230 nan 0.000 0.500 382 I N 0.143 120.644 120.570 -0.115 0.000 2.353 382 I HA -0.113 4.062 4.170 0.008 0.000 0.248 382 I C 2.398 178.448 176.117 -0.111 0.000 1.119 382 I CA 1.089 62.303 61.300 -0.143 0.000 1.417 382 I CB -0.511 37.386 38.000 -0.171 0.000 1.078 382 I HN 0.117 nan 8.210 nan 0.000 0.421 383 V N 1.225 121.089 119.914 -0.083 0.000 2.407 383 V HA -0.271 3.854 4.120 0.008 0.000 0.248 383 V C 2.681 178.735 176.094 -0.066 0.000 1.055 383 V CA 2.081 64.341 62.300 -0.066 0.000 1.049 383 V CB -0.885 30.910 31.823 -0.047 0.000 0.662 383 V HN 0.499 nan 8.190 nan 0.000 0.455 384 A N -1.020 121.760 122.820 -0.068 0.000 1.903 384 A HA 0.108 4.434 4.320 0.008 0.000 0.213 384 A C 1.951 179.482 177.584 -0.089 0.000 1.185 384 A CA 1.324 53.322 52.037 -0.065 0.000 0.628 384 A CB -0.109 18.860 19.000 -0.051 0.000 0.830 384 A HN 0.494 nan 8.150 nan 0.000 0.446 385 L N -2.227 118.938 121.223 -0.097 0.000 3.086 385 L HA 0.371 4.716 4.340 0.008 0.000 0.274 385 L C 1.268 178.067 176.870 -0.118 0.000 1.184 385 L CA 0.162 54.934 54.840 -0.113 0.000 1.002 385 L CB 0.376 42.382 42.059 -0.087 0.000 1.383 385 L HN 0.615 nan 8.230 nan 0.000 0.582 386 G N 0.707 109.427 108.800 -0.133 0.000 2.564 386 G HA2 -0.335 3.630 3.960 0.008 0.000 0.273 386 G HA3 -0.335 3.630 3.960 0.008 0.000 0.273 386 G C 0.600 175.346 174.900 -0.257 0.000 1.242 386 G CA 0.252 45.248 45.100 -0.174 0.000 0.951 386 G HN 0.126 nan 8.290 nan 0.000 0.564 387 S N 0.107 115.569 115.700 -0.397 0.000 2.548 387 S HA 0.156 4.631 4.470 0.008 0.000 0.215 387 S C 1.418 175.706 174.600 -0.520 0.000 0.976 387 S CA 0.994 58.881 58.200 -0.522 0.000 0.908 387 S CB -0.066 62.745 63.200 -0.648 0.000 0.781 387 S HN 0.584 nan 8.310 nan 0.000 0.519 388 H N 0.845 119.837 119.070 -0.130 0.000 2.639 388 H HA 0.282 4.843 4.556 0.008 0.000 0.267 388 H C -0.012 175.262 175.328 -0.089 0.000 0.958 388 H CA 0.646 56.631 56.048 -0.106 0.000 1.221 388 H CB 0.561 30.262 29.762 -0.101 0.000 1.446 388 H HN 0.199 nan 8.280 nan 0.000 0.512 389 T N 1.098 115.650 114.554 -0.004 0.000 2.928 389 T HA 0.236 4.591 4.350 0.008 0.000 0.296 389 T C -0.028 174.655 174.700 -0.029 0.000 1.000 389 T CA -0.608 61.495 62.100 0.004 0.000 0.989 389 T CB 2.630 71.505 68.868 0.011 0.000 1.005 389 T HN -0.089 nan 8.240 nan 0.000 0.442 390 T N 2.642 117.179 114.554 -0.029 0.000 2.907 390 T HA 0.460 4.815 4.350 0.008 0.000 0.298 390 T C 1.001 175.673 174.700 -0.047 0.000 1.017 390 T CA -0.354 61.706 62.100 -0.066 0.000 1.118 390 T CB 0.659 69.478 68.868 -0.082 0.000 0.948 390 T HN 0.747 nan 8.240 nan 0.000 0.531 391 G N 1.775 110.523 108.800 -0.087 0.000 2.403 391 G HA2 0.504 4.469 3.960 0.008 0.000 0.259 391 G HA3 0.504 4.469 3.960 0.008 0.000 0.259 391 G C -1.045 173.759 174.900 -0.160 0.000 1.244 391 G CA -0.324 44.728 45.100 -0.080 0.000 0.849 391 G HN 0.577 nan 8.290 nan 0.000 0.532 392 L N 2.091 123.232 121.223 -0.137 0.000 2.410 392 L HA 0.850 5.195 4.340 0.008 0.000 0.270 392 L C -0.471 176.284 176.870 -0.192 0.000 0.983 392 L CA -0.722 53.995 54.840 -0.206 0.000 0.822 392 L CB 2.003 43.952 42.059 -0.183 0.000 1.285 392 L HN 0.596 nan 8.230 nan 0.000 0.409 393 M N 3.030 122.493 119.600 -0.228 0.000 2.631 393 M HA 0.922 5.407 4.480 0.008 0.000 0.288 393 M C -0.207 175.878 176.300 -0.358 0.000 1.260 393 M CA -0.320 54.866 55.300 -0.191 0.000 0.842 393 M CB 2.627 35.203 32.600 -0.040 0.000 1.743 393 M HN 0.746 nan 8.290 nan 0.000 0.461 394 G N 0.342 108.977 108.800 -0.275 0.000 2.441 394 G HA2 0.346 4.311 3.960 0.008 0.000 0.294 394 G HA3 0.346 4.311 3.960 0.008 0.000 0.294 394 G C -1.364 173.557 174.900 0.035 0.000 1.393 394 G CA -0.630 44.249 45.100 -0.368 0.000 0.796 394 G HN 0.788 nan 8.290 nan 0.000 0.494 395 N N -0.712 118.127 118.700 0.231 0.000 2.204 395 N HA 0.176 4.921 4.740 0.008 0.000 0.219 395 N C -0.131 175.486 175.510 0.178 0.000 1.151 395 N CA -0.424 52.798 53.050 0.287 0.000 0.867 395 N CB 0.717 39.450 38.487 0.410 0.000 1.043 395 N HN 0.372 nan 8.380 nan 0.000 0.516 396 N N 0.296 119.066 118.700 0.118 0.000 2.519 396 N HA 0.096 4.841 4.740 0.008 0.000 0.291 396 N C -0.743 174.793 175.510 0.043 0.000 1.107 396 N CA -0.302 52.802 53.050 0.090 0.000 0.904 396 N CB 1.969 40.527 38.487 0.117 0.000 1.500 396 N HN -0.030 nan 8.380 nan 0.000 0.510 397 D N 1.875 122.299 120.400 0.040 0.000 2.219 397 D HA -0.057 4.588 4.640 0.008 0.000 0.205 397 D C 0.653 176.960 176.300 0.011 0.000 0.970 397 D CA 1.298 55.306 54.000 0.013 0.000 0.851 397 D CB 0.506 41.318 40.800 0.020 0.000 0.943 397 D HN 0.502 nan 8.370 nan 0.000 0.488 398 D N -0.150 120.271 120.400 0.034 0.000 2.123 398 D HA -0.123 4.522 4.640 0.008 0.000 0.200 398 D C 2.095 178.428 176.300 0.056 0.000 0.976 398 D CA 0.392 54.418 54.000 0.044 0.000 0.831 398 D CB -0.254 40.581 40.800 0.059 0.000 0.974 398 D HN 0.244 nan 8.370 nan 0.000 0.469 399 L N 1.543 122.804 121.223 0.063 0.000 2.017 399 L HA -0.161 4.184 4.340 0.008 0.000 0.208 399 L C 2.494 179.352 176.870 -0.020 0.000 1.073 399 L CA 1.441 56.318 54.840 0.062 0.000 0.745 399 L CB -0.852 41.240 42.059 0.056 0.000 0.894 399 L HN 0.016 nan 8.230 nan 0.000 0.432 400 V N -2.058 117.821 119.914 -0.057 0.000 2.332 400 V HA -0.125 4.000 4.120 0.008 0.000 0.248 400 V C 2.406 178.447 176.094 -0.088 0.000 1.055 400 V CA 1.825 64.059 62.300 -0.110 0.000 1.038 400 V CB -2.262 29.488 31.823 -0.122 0.000 0.651 400 V HN 0.453 nan 8.190 nan 0.000 0.450 401 G N -0.733 108.036 108.800 -0.050 0.000 2.422 401 G HA2 -0.232 3.733 3.960 0.008 0.000 0.218 401 G HA3 -0.232 3.733 3.960 0.008 0.000 0.218 401 G C 1.537 176.434 174.900 -0.006 0.000 1.146 401 G CA 0.922 45.998 45.100 -0.041 0.000 0.769 401 G HN 0.609 nan 8.290 nan 0.000 0.547 402 Q N -0.366 119.459 119.800 0.041 0.000 2.124 402 Q HA 0.029 4.374 4.340 0.008 0.000 0.202 402 Q C 2.613 178.681 176.000 0.112 0.000 0.977 402 Q CA 0.908 56.779 55.803 0.114 0.000 0.850 402 Q CB -0.212 28.674 28.738 0.246 0.000 0.901 402 Q HN 0.448 nan 8.270 nan 0.000 0.429 403 L N -0.021 121.205 121.223 0.004 0.000 2.072 403 L HA -0.163 4.182 4.340 0.008 0.000 0.205 403 L C 2.224 179.064 176.870 -0.050 0.000 1.079 403 L CA 0.719 55.514 54.840 -0.075 0.000 0.752 403 L CB -0.297 41.632 42.059 -0.216 0.000 0.906 403 L HN 0.238 nan 8.230 nan 0.000 0.436 404 L N -0.298 120.886 121.223 -0.066 0.000 2.042 404 L HA -0.267 4.079 4.340 0.008 0.000 0.210 404 L C 2.198 179.056 176.870 -0.020 0.000 1.076 404 L CA 1.555 56.357 54.840 -0.063 0.000 0.749 404 L CB -0.500 41.490 42.059 -0.115 0.000 0.893 404 L HN 0.286 nan 8.230 nan 0.000 0.432 405 D N -0.323 120.075 120.400 -0.004 0.000 2.117 405 D HA -0.149 4.496 4.640 0.008 0.000 0.198 405 D C 2.167 178.488 176.300 0.034 0.000 0.982 405 D CA 1.200 55.210 54.000 0.016 0.000 0.828 405 D CB 0.129 40.941 40.800 0.022 0.000 0.967 405 D HN 0.257 nan 8.370 nan 0.000 0.464 406 A N 0.066 122.916 122.820 0.050 0.000 1.908 406 A HA -0.042 4.283 4.320 0.008 0.000 0.218 406 A C 2.368 179.977 177.584 0.041 0.000 1.181 406 A CA 2.070 54.143 52.037 0.060 0.000 0.627 406 A CB -1.363 17.700 19.000 0.105 0.000 0.818 406 A HN 0.364 nan 8.150 nan 0.000 0.445 407 G N -0.509 108.305 108.800 0.023 0.000 2.422 407 G HA2 -0.214 3.752 3.960 0.008 0.000 0.218 407 G HA3 -0.214 3.752 3.960 0.008 0.000 0.218 407 G C 1.679 176.598 174.900 0.031 0.000 1.146 407 G CA 1.098 46.209 45.100 0.019 0.000 0.769 407 G HN 0.589 nan 8.290 nan 0.000 0.547 408 K N -0.011 120.411 120.400 0.036 0.000 2.026 408 K HA -0.001 4.324 4.320 0.008 0.000 0.208 408 K C 2.693 179.319 176.600 0.044 0.000 1.048 408 K CA 0.905 57.217 56.287 0.043 0.000 0.929 408 K CB -0.157 32.368 32.500 0.041 0.000 0.713 408 K HN 0.123 nan 8.250 nan 0.000 0.439 409 R N 0.156 120.685 120.500 0.049 0.000 2.148 409 R HA -0.013 4.332 4.340 0.008 0.000 0.227 409 R C 2.015 178.351 176.300 0.061 0.000 1.103 409 R CA 1.002 57.141 56.100 0.064 0.000 0.983 409 R CB -0.065 30.284 30.300 0.082 0.000 0.874 409 R HN 0.159 nan 8.270 nan 0.000 0.451 410 A N 0.789 123.639 122.820 0.049 0.000 2.218 410 A HA -0.050 4.275 4.320 0.008 0.000 0.209 410 A C 0.311 177.912 177.584 0.028 0.000 1.168 410 A CA 0.428 52.488 52.037 0.038 0.000 0.804 410 A CB 0.093 19.112 19.000 0.032 0.000 0.834 410 A HN 0.358 nan 8.150 nan 0.000 0.482 411 D N -0.741 119.678 120.400 0.031 0.000 2.689 411 D HA -0.175 4.470 4.640 0.008 0.000 0.237 411 D C -0.543 175.767 176.300 0.017 0.000 1.148 411 D CA 1.284 55.300 54.000 0.026 0.000 0.656 411 D CB -1.178 39.639 40.800 0.028 0.000 1.050 411 D HN 0.426 nan 8.370 nan 0.000 0.426 412 D N 0.158 120.567 120.400 0.016 0.000 2.552 412 D HA 0.238 4.883 4.640 0.008 0.000 0.285 412 D C -0.215 176.091 176.300 0.009 0.000 1.206 412 D CA -0.451 53.552 54.000 0.005 0.000 0.826 412 D CB 0.143 40.941 40.800 -0.003 0.000 1.179 412 D HN 0.231 nan 8.370 nan 0.000 0.508 413 R N 0.584 121.098 120.500 0.024 0.000 2.582 413 R HA 0.739 5.084 4.340 0.008 0.000 0.271 413 R C 0.043 176.370 176.300 0.046 0.000 1.078 413 R CA -0.316 55.812 56.100 0.047 0.000 1.127 413 R CB 1.386 31.733 30.300 0.078 0.000 1.038 413 R HN 0.311 nan 8.270 nan 0.000 0.500 414 A N 1.920 124.775 122.820 0.059 0.000 2.389 414 A HA 0.663 4.988 4.320 0.008 0.000 0.293 414 A C -1.800 175.892 177.584 0.179 0.000 1.186 414 A CA -0.584 51.488 52.037 0.059 0.000 0.828 414 A CB 1.662 20.645 19.000 -0.029 0.000 1.369 414 A HN 0.734 nan 8.150 nan 0.000 0.446 415 W N 0.844 122.093 121.300 -0.086 0.000 3.439 415 W HA 0.335 4.998 4.660 0.004 0.000 0.323 415 W C -1.177 175.286 176.519 -0.093 0.000 1.174 415 W CA -0.179 57.121 57.345 -0.075 0.000 1.224 415 W CB 1.458 30.880 29.460 -0.064 0.000 1.348 415 W HN 0.938 nan 8.180 nan 0.000 0.498 416 Q N 3.954 123.466 119.800 -0.480 0.000 2.327 416 Q HA 0.426 4.771 4.340 0.008 0.000 0.254 416 Q C -1.045 174.863 176.000 -0.153 0.000 0.952 416 Q CA 0.217 55.840 55.803 -0.300 0.000 0.884 416 Q CB 1.038 29.569 28.738 -0.344 0.000 1.224 416 Q HN 0.553 nan 8.270 nan 0.000 0.422 417 L N 5.407 126.566 121.223 -0.106 0.000 2.342 417 L HA 0.626 4.971 4.340 0.008 0.000 0.271 417 L C -2.194 174.554 176.870 -0.203 0.000 1.008 417 L CA -2.311 52.465 54.840 -0.108 0.000 0.818 417 L CB 2.031 44.041 42.059 -0.081 0.000 1.296 417 L HN 0.650 nan 8.230 nan 0.000 0.427 418 P HA 0.234 nan 4.420 nan 0.000 0.288 418 P C -0.734 176.318 177.300 -0.413 0.000 1.267 418 P CA -0.344 62.430 63.100 -0.544 0.000 0.815 418 P CB 1.312 32.241 31.700 -1.285 0.000 0.989 419 L N 2.858 123.969 121.223 -0.187 0.000 3.048 419 L HA 0.288 4.633 4.340 0.008 0.000 0.234 419 L C 0.195 177.219 176.870 0.257 0.000 1.318 419 L CA -0.731 54.133 54.840 0.040 0.000 1.109 419 L CB -0.674 41.465 42.059 0.133 0.000 1.480 419 L HN 0.176 nan 8.230 nan 0.000 0.495 420 F N 0.409 120.563 119.950 0.340 0.000 2.595 420 F HA -0.080 4.451 4.527 0.006 0.000 0.359 420 F C 1.673 177.600 175.800 0.212 0.000 1.147 420 F CA -0.239 57.912 58.000 0.251 0.000 1.341 420 F CB 0.245 39.371 39.000 0.210 0.000 1.104 420 F HN 0.211 nan 8.300 nan 0.000 0.603 421 D N 0.974 121.552 120.400 0.296 0.000 2.218 421 D HA -0.164 4.481 4.640 0.008 0.000 0.204 421 D C 1.620 177.986 176.300 0.110 0.000 0.976 421 D CA 1.323 55.422 54.000 0.166 0.000 0.853 421 D CB 0.191 41.042 40.800 0.085 0.000 0.939 421 D HN 0.571 nan 8.370 nan 0.000 0.481 422 E N -0.929 119.292 120.200 0.036 0.000 2.219 422 E HA -0.197 4.159 4.350 0.008 0.000 0.198 422 E C 1.423 177.967 176.600 -0.093 0.000 0.998 422 E CA 0.949 57.294 56.400 -0.093 0.000 0.818 422 E CB -0.305 29.258 29.700 -0.228 0.000 0.741 422 E HN 0.567 nan 8.360 nan 0.000 0.477 423 Y N 0.586 120.963 120.300 0.127 0.000 2.457 423 Y HA -0.088 4.467 4.550 0.008 0.000 0.292 423 Y C 2.181 178.133 175.900 0.087 0.000 1.125 423 Y CA 0.637 58.799 58.100 0.104 0.000 1.254 423 Y CB -0.049 38.474 38.460 0.107 0.000 1.012 423 Y HN -0.007 nan 8.280 nan 0.000 0.555 424 Q N 0.942 120.869 119.800 0.212 0.000 2.112 424 Q HA -0.251 4.095 4.340 0.008 0.000 0.206 424 Q C 1.960 178.024 176.000 0.107 0.000 0.987 424 Q CA 1.994 57.882 55.803 0.142 0.000 0.858 424 Q CB -0.613 28.181 28.738 0.093 0.000 0.905 424 Q HN 0.775 nan 8.270 nan 0.000 0.420 425 E N 0.391 120.639 120.200 0.080 0.000 2.333 425 E HA -0.207 4.148 4.350 0.008 0.000 0.198 425 E C 1.672 178.312 176.600 0.066 0.000 1.007 425 E CA 0.732 57.164 56.400 0.053 0.000 0.845 425 E CB -0.268 29.449 29.700 0.027 0.000 0.766 425 E HN 0.432 nan 8.360 nan 0.000 0.507 426 Q N 0.534 120.392 119.800 0.095 0.000 2.234 426 Q HA -0.071 4.274 4.340 0.008 0.000 0.206 426 Q C 1.992 178.052 176.000 0.099 0.000 0.980 426 Q CA 1.122 56.986 55.803 0.101 0.000 0.869 426 Q CB -0.095 28.726 28.738 0.139 0.000 0.912 426 Q HN 0.426 nan 8.270 nan 0.000 0.436 427 L N 0.536 121.828 121.223 0.115 0.000 2.591 427 L HA 0.057 4.402 4.340 0.008 0.000 0.228 427 L C -0.062 176.870 176.870 0.104 0.000 1.133 427 L CA -0.406 54.517 54.840 0.137 0.000 0.880 427 L CB 0.036 42.209 42.059 0.191 0.000 1.033 427 L HN 0.030 nan 8.230 nan 0.000 0.450 428 D N 0.814 121.253 120.400 0.065 0.000 2.488 428 D HA 0.052 4.697 4.640 0.008 0.000 0.238 428 D C 0.239 176.554 176.300 0.026 0.000 1.138 428 D CA 0.516 54.536 54.000 0.034 0.000 0.873 428 D CB 1.194 41.999 40.800 0.008 0.000 1.183 428 D HN -0.079 nan 8.370 nan 0.000 0.458 429 S N 1.505 117.212 115.700 0.011 0.000 2.513 429 S HA 0.479 4.954 4.470 0.008 0.000 0.299 429 S C -1.972 172.553 174.600 -0.125 0.000 1.087 429 S CA -1.467 56.727 58.200 -0.011 0.000 1.012 429 S CB 1.644 64.892 63.200 0.080 0.000 1.044 429 S HN 0.109 nan 8.310 nan 0.000 0.485 430 P HA 0.120 nan 4.420 nan 0.000 0.233 430 P C 0.360 177.319 177.300 -0.568 0.000 1.167 430 P CA 0.788 63.562 63.100 -0.544 0.000 0.770 430 P CB -0.035 31.117 31.700 -0.913 0.000 0.837 431 F N -0.411 119.555 119.950 0.027 0.000 2.514 431 F HA 0.415 4.947 4.527 0.009 0.000 0.281 431 F C 1.624 177.441 175.800 0.028 0.000 1.060 431 F CA -0.145 57.871 58.000 0.026 0.000 1.397 431 F CB -0.910 38.108 39.000 0.029 0.000 1.129 431 F HN -0.170 nan 8.300 nan 0.000 0.620 432 A N -0.137 122.802 122.820 0.199 0.000 2.312 432 A HA 0.435 4.760 4.320 0.008 0.000 0.310 432 A C 0.552 178.183 177.584 0.077 0.000 1.139 432 A CA -0.355 51.764 52.037 0.137 0.000 0.886 432 A CB 0.181 19.274 19.000 0.156 0.000 1.350 432 A HN 0.082 nan 8.150 nan 0.000 0.479 433 D N -0.211 120.223 120.400 0.057 0.000 2.219 433 D HA 0.009 4.654 4.640 0.008 0.000 0.205 433 D C 0.645 176.954 176.300 0.015 0.000 0.970 433 D CA 1.952 55.959 54.000 0.012 0.000 0.851 433 D CB -0.139 40.647 40.800 -0.025 0.000 0.943 433 D HN 0.609 nan 8.370 nan 0.000 0.488 434 M N -2.527 117.115 119.600 0.070 0.000 2.643 434 M HA 0.564 5.049 4.480 0.008 0.000 0.276 434 M C -0.527 175.886 176.300 0.188 0.000 1.200 434 M CA -0.979 54.388 55.300 0.111 0.000 0.863 434 M CB 1.942 34.600 32.600 0.097 0.000 1.711 434 M HN -0.193 nan 8.290 nan 0.000 0.492 435 G N 0.629 109.550 108.800 0.201 0.000 2.511 435 G HA2 0.427 4.392 3.960 0.008 0.000 0.316 435 G HA3 0.427 4.392 3.960 0.008 0.000 0.316 435 G C 0.120 175.195 174.900 0.292 0.000 1.210 435 G CA -0.408 44.820 45.100 0.213 0.000 0.969 435 G HN 0.946 nan 8.290 nan 0.000 0.492 436 N N -0.969 117.818 118.700 0.145 0.000 2.280 436 N HA 0.039 4.784 4.740 0.008 0.000 0.192 436 N C 0.430 175.845 175.510 -0.158 0.000 1.109 436 N CA -0.019 52.967 53.050 -0.107 0.000 0.855 436 N CB -0.024 38.298 38.487 -0.274 0.000 0.974 436 N HN 0.632 nan 8.380 nan 0.000 0.482 437 I N -5.769 114.796 120.570 -0.010 0.000 2.828 437 I HA 0.725 4.900 4.170 0.008 0.000 0.302 437 I C 0.276 176.423 176.117 0.050 0.000 1.101 437 I CA -1.350 59.946 61.300 -0.006 0.000 1.031 437 I CB 2.227 40.221 38.000 -0.009 0.000 1.231 437 I HN -0.213 nan 8.210 nan 0.000 0.427 438 G N 1.905 110.734 108.800 0.049 0.000 3.377 438 G HA2 0.594 4.559 3.960 0.008 0.000 0.257 438 G HA3 0.594 4.559 3.960 0.008 0.000 0.257 438 G C 0.529 175.467 174.900 0.063 0.000 1.038 438 G CA -0.072 45.072 45.100 0.074 0.000 0.809 438 G HN 1.494 nan 8.290 nan 0.000 0.526 439 G N 0.862 109.689 108.800 0.044 0.000 2.698 439 G HA2 -0.115 3.850 3.960 0.008 0.000 0.225 439 G HA3 -0.115 3.850 3.960 0.008 0.000 0.225 439 G C -1.089 173.833 174.900 0.036 0.000 1.345 439 G CA -0.092 45.031 45.100 0.039 0.000 0.871 439 G HN 0.154 nan 8.290 nan 0.000 0.540 440 P HA 0.146 nan 4.420 nan 0.000 0.236 440 P C 0.362 177.683 177.300 0.035 0.000 1.177 440 P CA 0.816 63.933 63.100 0.027 0.000 0.773 440 P CB 0.190 31.905 31.700 0.024 0.000 0.878 441 K N 0.592 121.024 120.400 0.053 0.000 2.183 441 K HA 0.520 4.846 4.320 0.008 0.000 0.274 441 K C 0.271 176.917 176.600 0.077 0.000 1.009 441 K CA -0.310 56.020 56.287 0.072 0.000 0.888 441 K CB 1.026 33.585 32.500 0.099 0.000 1.078 441 K HN -0.071 nan 8.250 nan 0.000 0.459 442 A N 2.331 125.181 122.820 0.050 0.000 2.739 442 A HA -0.181 4.144 4.320 0.008 0.000 0.296 442 A C 1.269 178.828 177.584 -0.043 0.000 1.488 442 A CA 0.828 52.853 52.037 -0.021 0.000 0.746 442 A CB -2.210 16.764 19.000 -0.042 0.000 1.047 442 A HN 1.102 nan 8.150 nan 0.000 0.477 443 G N -0.870 107.920 108.800 -0.017 0.000 2.418 443 G HA2 -0.082 3.884 3.960 0.008 0.000 0.217 443 G HA3 -0.082 3.884 3.960 0.008 0.000 0.217 443 G C 1.377 176.269 174.900 -0.013 0.000 1.158 443 G CA 1.970 47.065 45.100 -0.009 0.000 0.771 443 G HN 0.807 nan 8.290 nan 0.000 0.545 444 T N 1.142 115.680 114.554 -0.027 0.000 2.777 444 T HA 0.013 4.368 4.350 0.008 0.000 0.266 444 T C 2.398 177.097 174.700 -0.002 0.000 1.040 444 T CA 0.781 62.879 62.100 -0.003 0.000 1.141 444 T CB -0.106 68.748 68.868 -0.024 0.000 0.868 444 T HN 0.236 nan 8.240 nan 0.000 0.444 445 I N 1.872 122.382 120.570 -0.100 0.000 2.226 445 I HA -0.189 3.986 4.170 0.008 0.000 0.245 445 I C 2.938 179.014 176.117 -0.070 0.000 1.100 445 I CA 1.579 62.773 61.300 -0.177 0.000 1.374 445 I CB -0.620 37.064 38.000 -0.526 0.000 1.057 445 I HN 0.400 nan 8.210 nan 0.000 0.413 446 T N -1.048 113.487 114.554 -0.032 0.000 2.904 446 T HA -0.016 4.339 4.350 0.008 0.000 0.267 446 T C 1.958 176.727 174.700 0.114 0.000 1.059 446 T CA 0.829 62.971 62.100 0.071 0.000 1.137 446 T CB -0.370 68.554 68.868 0.093 0.000 0.879 446 T HN 0.321 nan 8.240 nan 0.000 0.467 447 A N 1.904 124.768 122.820 0.073 0.000 1.902 447 A HA 0.261 4.586 4.320 0.008 0.000 0.217 447 A C 2.732 180.381 177.584 0.107 0.000 1.181 447 A CA 1.589 53.667 52.037 0.069 0.000 0.623 447 A CB -1.616 17.404 19.000 0.033 0.000 0.818 447 A HN 0.600 nan 8.150 nan 0.000 0.443 448 G N -0.942 107.929 108.800 0.119 0.000 2.422 448 G HA2 -0.271 3.694 3.960 0.008 0.000 0.218 448 G HA3 -0.271 3.694 3.960 0.008 0.000 0.218 448 G C 1.578 176.641 174.900 0.272 0.000 1.146 448 G CA 1.301 46.513 45.100 0.187 0.000 0.769 448 G HN 0.516 nan 8.290 nan 0.000 0.547 449 C N -0.291 119.133 119.300 0.207 0.000 2.429 449 C HA 0.005 4.470 4.460 0.008 0.000 0.277 449 C C 2.413 177.514 174.990 0.186 0.000 1.262 449 C CA 0.696 59.831 59.018 0.195 0.000 1.733 449 C CB -1.183 26.665 27.740 0.181 0.000 2.010 449 C HN 0.488 nan 8.230 nan 0.000 0.483 450 F N 1.425 121.426 119.950 0.085 0.000 2.095 450 F HA -0.152 4.380 4.527 0.007 0.000 0.298 450 F C 2.098 177.999 175.800 0.169 0.000 1.104 450 F CA 1.697 59.768 58.000 0.119 0.000 1.232 450 F CB -0.419 38.633 39.000 0.087 0.000 0.987 450 F HN 0.112 nan 8.300 nan 0.000 0.475 451 L N 0.036 121.440 121.223 0.300 0.000 2.141 451 L HA -0.203 4.143 4.340 0.008 0.000 0.209 451 L C 2.730 179.436 176.870 -0.274 0.000 1.094 451 L CA 1.322 56.223 54.840 0.101 0.000 0.763 451 L CB -1.044 41.088 42.059 0.123 0.000 0.908 451 L HN 0.345 nan 8.230 nan 0.000 0.437 452 S N 0.080 115.600 115.700 -0.301 0.000 2.419 452 S HA -0.205 4.271 4.470 0.008 0.000 0.235 452 S C 1.970 176.326 174.600 -0.407 0.000 1.019 452 S CA 0.807 58.677 58.200 -0.550 0.000 0.982 452 S CB -0.422 62.768 63.200 -0.016 0.000 0.789 452 S HN 0.420 nan 8.310 nan 0.000 0.490 453 R N -0.373 119.935 120.500 -0.321 0.000 2.285 453 R HA 0.112 4.457 4.340 0.008 0.000 0.213 453 R C 0.512 176.347 176.300 -0.775 0.000 1.068 453 R CA 1.029 56.812 56.100 -0.528 0.000 1.004 453 R CB -0.299 29.605 30.300 -0.659 0.000 0.873 453 R HN 0.547 nan 8.270 nan 0.000 0.467 454 F N -1.471 118.224 119.950 -0.424 0.000 2.682 454 F HA 0.324 4.856 4.527 0.008 0.000 0.308 454 F C 1.391 176.929 175.800 -0.437 0.000 1.093 454 F CA -0.284 57.504 58.000 -0.353 0.000 1.244 454 F CB 0.777 39.617 39.000 -0.267 0.000 1.052 454 F HN -0.110 nan 8.300 nan 0.000 0.573 455 A N -0.510 122.016 122.820 -0.490 0.000 2.538 455 A HA 0.213 4.538 4.320 0.008 0.000 0.269 455 A C 1.697 178.907 177.584 -0.624 0.000 1.231 455 A CA -0.190 51.430 52.037 -0.694 0.000 0.948 455 A CB -0.266 18.053 19.000 -1.135 0.000 1.110 455 A HN 0.175 nan 8.150 nan 0.000 0.529 456 K N 0.122 120.242 120.400 -0.466 0.000 2.362 456 K HA 0.004 4.329 4.320 0.008 0.000 0.200 456 K C 1.741 178.157 176.600 -0.307 0.000 1.046 456 K CA 0.960 57.064 56.287 -0.305 0.000 0.952 456 K CB -0.070 32.290 32.500 -0.233 0.000 0.753 456 K HN 0.431 nan 8.250 nan 0.000 0.466 457 A N 0.818 123.340 122.820 -0.498 0.000 2.206 457 A HA -0.006 4.319 4.320 0.008 0.000 0.211 457 A C 0.181 177.657 177.584 -0.179 0.000 1.158 457 A CA 0.582 52.417 52.037 -0.337 0.000 0.761 457 A CB -0.323 18.499 19.000 -0.297 0.000 0.801 457 A HN 0.363 nan 8.150 nan 0.000 0.473 458 Y N -3.819 116.515 120.300 0.057 0.000 2.725 458 Y HA 0.474 5.029 4.550 0.008 0.000 0.333 458 Y C -0.890 175.100 175.900 0.149 0.000 1.242 458 Y CA -2.754 55.402 58.100 0.093 0.000 1.059 458 Y CB -0.223 38.299 38.460 0.104 0.000 1.306 458 Y HN 0.019 nan 8.280 nan 0.000 0.454 459 N N 0.749 119.706 118.700 0.429 0.000 2.475 459 N HA 0.296 5.041 4.740 0.008 0.000 0.267 459 N C -1.700 174.093 175.510 0.471 0.000 1.169 459 N CA -0.002 53.259 53.050 0.352 0.000 0.947 459 N CB 0.709 39.330 38.487 0.224 0.000 1.061 459 N HN 0.689 nan 8.380 nan 0.000 0.466 460 W N 3.086 124.523 121.300 0.228 0.000 3.138 460 W HA 0.671 5.335 4.660 0.007 0.000 0.331 460 W C -1.792 174.807 176.519 0.132 0.000 1.166 460 W CA -0.565 56.915 57.345 0.224 0.000 1.212 460 W CB 0.996 30.671 29.460 0.358 0.000 1.399 460 W HN 0.444 nan 8.180 nan 0.000 0.514 461 A N 4.236 126.619 122.820 -0.730 0.000 2.515 461 A HA 0.654 4.979 4.320 0.008 0.000 0.296 461 A C -2.056 174.910 177.584 -1.030 0.000 1.094 461 A CA -0.675 50.789 52.037 -0.955 0.000 0.718 461 A CB 1.765 20.488 19.000 -0.463 0.000 1.307 461 A HN 0.873 nan 8.150 nan 0.000 0.408 462 H N 1.674 120.213 119.070 -0.886 0.000 2.689 462 H HA 0.648 5.209 4.556 0.008 0.000 0.346 462 H C -1.697 173.482 175.328 -0.247 0.000 1.037 462 H CA -0.789 55.010 56.048 -0.415 0.000 1.234 462 H CB 1.174 30.782 29.762 -0.256 0.000 1.572 462 H HN 0.627 nan 8.280 nan 0.000 0.524 463 M N 4.455 123.743 119.600 -0.519 0.000 2.125 463 M HA 0.116 4.601 4.480 0.008 0.000 0.321 463 M C -0.896 175.100 176.300 -0.506 0.000 0.983 463 M CA -0.722 54.305 55.300 -0.455 0.000 0.934 463 M CB 1.648 34.102 32.600 -0.245 0.000 1.542 463 M HN 0.470 nan 8.290 nan 0.000 0.424 464 D N 4.754 124.858 120.400 -0.493 0.000 2.396 464 D HA 0.307 4.952 4.640 0.008 0.000 0.225 464 D C 0.207 176.409 176.300 -0.164 0.000 1.121 464 D CA -0.303 53.532 54.000 -0.275 0.000 0.853 464 D CB 0.773 41.450 40.800 -0.204 0.000 1.043 464 D HN 0.709 nan 8.370 nan 0.000 0.500 465 I N 0.827 121.331 120.570 -0.109 0.000 3.889 465 I HA 0.367 4.542 4.170 0.008 0.000 0.332 465 I C 1.531 177.582 176.117 -0.111 0.000 1.493 465 I CA -0.587 60.653 61.300 -0.100 0.000 1.158 465 I CB 0.607 38.570 38.000 -0.061 0.000 1.117 465 I HN 0.185 nan 8.210 nan 0.000 0.411 466 A N 1.846 124.598 122.820 -0.113 0.000 1.986 466 A HA -0.082 4.243 4.320 0.008 0.000 0.220 466 A C 2.246 179.566 177.584 -0.440 0.000 1.171 466 A CA 2.113 54.042 52.037 -0.180 0.000 0.640 466 A CB -1.080 17.854 19.000 -0.110 0.000 0.811 466 A HN 0.595 nan 8.150 nan 0.000 0.451 467 G N -1.782 106.809 108.800 -0.349 0.000 2.662 467 G HA2 0.099 4.064 3.960 0.008 0.000 0.212 467 G HA3 0.099 4.064 3.960 0.008 0.000 0.212 467 G C 1.431 176.075 174.900 -0.428 0.000 1.141 467 G CA 1.460 46.309 45.100 -0.418 0.000 0.797 467 G HN 0.683 nan 8.290 nan 0.000 0.531 468 T N -2.547 111.819 114.554 -0.313 0.000 3.022 468 T HA 0.485 4.840 4.350 0.008 0.000 0.250 468 T C 2.236 176.814 174.700 -0.203 0.000 1.060 468 T CA 0.979 62.935 62.100 -0.241 0.000 1.013 468 T CB 0.633 69.409 68.868 -0.153 0.000 0.982 468 T HN 0.165 nan 8.240 nan 0.000 0.508 469 A N 0.932 123.640 122.820 -0.187 0.000 2.067 469 A HA 0.491 4.816 4.320 0.008 0.000 0.217 469 A C 0.599 178.206 177.584 0.038 0.000 1.156 469 A CA 0.112 52.144 52.037 -0.010 0.000 0.683 469 A CB -0.520 18.586 19.000 0.176 0.000 0.808 469 A HN 0.881 nan 8.150 nan 0.000 0.455 470 W N -2.644 118.475 121.300 -0.302 0.000 3.074 470 W HA 0.690 5.356 4.660 0.010 0.000 0.332 470 W C -1.647 174.679 176.519 -0.321 0.000 1.253 470 W CA -1.256 55.815 57.345 -0.456 0.000 1.180 470 W CB 0.310 29.219 29.460 -0.919 0.000 1.445 470 W HN -0.123 nan 8.180 nan 0.000 0.573 471 I N 2.929 123.443 120.570 -0.093 0.000 2.359 471 I HA 0.191 4.366 4.170 0.008 0.000 0.294 471 I C 0.829 177.003 176.117 0.095 0.000 0.987 471 I CA -0.448 60.797 61.300 -0.092 0.000 1.225 471 I CB 1.915 39.876 38.000 -0.064 0.000 1.366 471 I HN 0.695 nan 8.210 nan 0.000 0.466 472 S N 3.275 119.006 115.700 0.052 0.000 2.395 472 S HA 0.127 4.602 4.470 0.008 0.000 0.225 472 S C 0.680 175.366 174.600 0.143 0.000 1.027 472 S CA 0.836 59.151 58.200 0.191 0.000 0.965 472 S CB 0.186 63.449 63.200 0.105 0.000 0.812 472 S HN 0.894 nan 8.310 nan 0.000 0.482 473 G N -1.389 107.455 108.800 0.073 0.000 2.827 473 G HA2 0.567 4.532 3.960 0.008 0.000 0.296 473 G HA3 0.567 4.532 3.960 0.008 0.000 0.296 473 G C -0.204 174.720 174.900 0.041 0.000 1.362 473 G CA -0.101 45.035 45.100 0.060 0.000 0.809 473 G HN 0.739 nan 8.290 nan 0.000 0.522 474 G N -0.460 108.362 108.800 0.037 0.000 2.796 474 G HA2 -0.080 3.885 3.960 0.008 0.000 0.226 474 G HA3 -0.080 3.885 3.960 0.008 0.000 0.226 474 G C 1.056 175.979 174.900 0.040 0.000 1.381 474 G CA 0.893 46.011 45.100 0.030 0.000 0.867 474 G HN 1.591 nan 8.290 nan 0.000 0.552 475 K N -1.141 119.280 120.400 0.035 0.000 2.211 475 K HA -0.049 4.276 4.320 0.008 0.000 0.204 475 K C 0.884 177.517 176.600 0.054 0.000 1.047 475 K CA 2.106 58.419 56.287 0.043 0.000 0.935 475 K CB 0.085 32.606 32.500 0.035 0.000 0.728 475 K HN 0.320 nan 8.250 nan 0.000 0.452 476 D N 1.400 121.826 120.400 0.044 0.000 2.388 476 D HA 0.030 4.675 4.640 0.008 0.000 0.221 476 D C -0.424 175.902 176.300 0.043 0.000 1.133 476 D CA -0.027 54.000 54.000 0.044 0.000 0.831 476 D CB 0.274 41.087 40.800 0.022 0.000 0.962 476 D HN 0.267 nan 8.370 nan 0.000 0.502 477 K N 1.095 121.531 120.400 0.060 0.000 2.530 477 K HA 0.215 4.541 4.320 0.008 0.000 0.280 477 K C 0.396 177.044 176.600 0.080 0.000 1.004 477 K CA 0.543 56.878 56.287 0.079 0.000 1.071 477 K CB 0.154 32.717 32.500 0.105 0.000 0.876 477 K HN 0.185 nan 8.250 nan 0.000 0.487 478 G N 1.681 110.496 108.800 0.025 0.000 2.361 478 G HA2 0.310 4.275 3.960 0.008 0.000 0.305 478 G HA3 0.310 4.275 3.960 0.008 0.000 0.305 478 G C -1.252 173.492 174.900 -0.259 0.000 1.367 478 G CA -0.578 44.498 45.100 -0.040 0.000 0.951 478 G HN 0.782 nan 8.290 nan 0.000 0.615 479 A N -0.592 122.045 122.820 -0.305 0.000 2.483 479 A HA 0.592 4.917 4.320 0.008 0.000 0.238 479 A C 1.686 179.148 177.584 -0.203 0.000 1.070 479 A CA 1.428 53.295 52.037 -0.282 0.000 0.770 479 A CB 0.199 19.126 19.000 -0.121 0.000 1.008 479 A HN 2.203 nan 8.150 nan 0.000 0.497 480 T N -1.357 113.104 114.554 -0.154 0.000 3.037 480 T HA 0.406 4.761 4.350 0.008 0.000 0.252 480 T C 1.446 176.063 174.700 -0.139 0.000 1.073 480 T CA 1.094 63.109 62.100 -0.142 0.000 1.091 480 T CB 0.030 68.829 68.868 -0.115 0.000 0.935 480 T HN 2.413 nan 8.240 nan 0.000 0.488 481 G N 1.942 110.671 108.800 -0.117 0.000 2.176 481 G HA2 -0.261 3.704 3.960 0.008 0.000 0.253 481 G HA3 -0.261 3.704 3.960 0.008 0.000 0.253 481 G C 0.213 175.081 174.900 -0.053 0.000 0.979 481 G CA -0.073 44.975 45.100 -0.086 0.000 0.641 481 G HN 0.693 nan 8.290 nan 0.000 0.530 482 R N 0.957 121.423 120.500 -0.057 0.000 2.490 482 R HA 0.418 4.763 4.340 0.008 0.000 0.280 482 R C -2.009 174.269 176.300 -0.037 0.000 1.077 482 R CA -0.841 55.231 56.100 -0.047 0.000 1.065 482 R CB 0.978 31.243 30.300 -0.059 0.000 1.003 482 R HN 0.142 nan 8.270 nan 0.000 0.470 483 P HA 0.099 nan 4.420 nan 0.000 0.253 483 P C 0.521 177.807 177.300 -0.025 0.000 1.863 483 P CA -0.098 62.980 63.100 -0.037 0.000 1.145 483 P CB 0.469 32.137 31.700 -0.052 0.000 1.666 484 V N 1.452 121.356 119.914 -0.015 0.000 2.332 484 V HA -0.157 3.968 4.120 0.008 0.000 0.248 484 V C -0.297 175.797 176.094 0.000 0.000 1.055 484 V CA 2.341 64.640 62.300 -0.002 0.000 1.038 484 V CB -2.088 29.742 31.823 0.011 0.000 0.651 484 V HN 0.242 nan 8.190 nan 0.000 0.450 485 P HA -0.157 nan 4.420 nan 0.000 0.215 485 P C 2.082 179.387 177.300 0.008 0.000 1.157 485 P CA 1.477 64.580 63.100 0.005 0.000 0.863 485 P CB -0.064 31.639 31.700 0.004 0.000 0.787 486 L N -1.014 120.210 121.223 0.000 0.000 1.989 486 L HA -0.183 4.162 4.340 0.008 0.000 0.211 486 L C 2.388 179.270 176.870 0.020 0.000 1.071 486 L CA 1.708 56.550 54.840 0.004 0.000 0.749 486 L CB -0.782 41.264 42.059 -0.021 0.000 0.890 486 L HN -0.125 nan 8.230 nan 0.000 0.431 487 L N -0.916 120.308 121.223 0.002 0.000 2.056 487 L HA -0.195 4.151 4.340 0.008 0.000 0.207 487 L C 2.483 179.383 176.870 0.051 0.000 1.078 487 L CA 1.694 56.547 54.840 0.021 0.000 0.749 487 L CB -0.858 41.195 42.059 -0.009 0.000 0.901 487 L HN 0.294 nan 8.230 nan 0.000 0.433 488 T N -1.400 113.161 114.554 0.012 0.000 2.777 488 T HA -0.239 4.116 4.350 0.008 0.000 0.266 488 T C 1.806 176.484 174.700 -0.036 0.000 1.040 488 T CA 1.300 63.388 62.100 -0.020 0.000 1.141 488 T CB -0.137 68.719 68.868 -0.021 0.000 0.868 488 T HN 0.184 nan 8.240 nan 0.000 0.444 489 Q N 0.477 120.276 119.800 -0.002 0.000 2.096 489 Q HA -0.157 4.188 4.340 0.008 0.000 0.204 489 Q C 1.925 177.921 176.000 -0.006 0.000 0.982 489 Q CA 1.665 57.467 55.803 -0.001 0.000 0.850 489 Q CB -0.700 28.059 28.738 0.036 0.000 0.901 489 Q HN 0.722 nan 8.270 nan 0.000 0.422 490 Y N -0.106 120.136 120.300 -0.097 0.000 2.165 490 Y HA -0.174 4.382 4.550 0.009 0.000 0.286 490 Y C 1.553 177.330 175.900 -0.204 0.000 1.155 490 Y CA 1.779 59.804 58.100 -0.126 0.000 1.164 490 Y CB -0.143 38.247 38.460 -0.117 0.000 0.978 490 Y HN 0.169 nan 8.280 nan 0.000 0.513 491 L N -0.578 120.477 121.223 -0.280 0.000 2.109 491 L HA -0.178 4.167 4.340 0.008 0.000 0.207 491 L C 2.448 179.103 176.870 -0.358 0.000 1.086 491 L CA 0.798 55.363 54.840 -0.459 0.000 0.760 491 L CB -0.543 41.361 42.059 -0.259 0.000 0.910 491 L HN 0.287 nan 8.230 nan 0.000 0.437 492 L N -0.258 120.819 121.223 -0.244 0.000 2.042 492 L HA -0.273 4.072 4.340 0.008 0.000 0.210 492 L C 2.235 178.987 176.870 -0.197 0.000 1.076 492 L CA 1.264 55.975 54.840 -0.215 0.000 0.749 492 L CB -0.573 41.351 42.059 -0.225 0.000 0.893 492 L HN 0.302 nan 8.230 nan 0.000 0.432 493 D N -0.518 119.752 120.400 -0.216 0.000 2.117 493 D HA -0.130 4.515 4.640 0.008 0.000 0.198 493 D C 2.373 178.536 176.300 -0.229 0.000 0.982 493 D CA 0.901 54.790 54.000 -0.185 0.000 0.828 493 D CB -0.127 40.578 40.800 -0.159 0.000 0.967 493 D HN 0.154 nan 8.370 nan 0.000 0.464 494 R N 0.645 120.905 120.500 -0.399 0.000 2.115 494 R HA 0.092 4.437 4.340 0.008 0.000 0.226 494 R C 2.021 178.216 176.300 -0.174 0.000 1.100 494 R CA 0.792 56.681 56.100 -0.352 0.000 0.980 494 R CB -0.624 29.221 30.300 -0.759 0.000 0.875 494 R HN 0.123 nan 8.270 nan 0.000 0.445 495 A N 0.208 122.917 122.820 -0.185 0.000 2.067 495 A HA 0.163 4.488 4.320 0.008 0.000 0.217 495 A C 1.323 178.877 177.584 -0.050 0.000 1.156 495 A CA 1.044 53.034 52.037 -0.079 0.000 0.683 495 A CB -0.274 18.680 19.000 -0.076 0.000 0.808 495 A HN 0.406 nan 8.150 nan 0.000 0.455 496 G N -1.618 107.140 108.800 -0.071 0.000 2.256 496 G HA2 0.163 4.128 3.960 0.008 0.000 0.272 496 G HA3 0.163 4.128 3.960 0.008 0.000 0.272 496 G C 0.242 175.121 174.900 -0.034 0.000 1.076 496 G CA 0.554 45.626 45.100 -0.047 0.000 0.882 496 G HN 1.491 nan 8.290 nan 0.000 0.497 497 A N 0.000 122.794 122.820 -0.044 0.000 2.254 497 A HA 0.000 4.325 4.320 0.008 0.000 0.244 497 A CA 0.000 52.039 52.037 0.003 0.000 0.836 497 A CB 0.000 19.003 19.000 0.004 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486