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_C 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 0.014 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 E N 3.482 123.688 120.200 0.010 0.000 2.259 2 E HA 0.500 4.854 4.350 0.008 0.000 0.281 2 E C -1.938 174.668 176.600 0.010 0.000 1.027 2 E CA -0.548 55.857 56.400 0.010 0.000 0.838 2 E CB 1.261 30.965 29.700 0.006 0.000 1.066 2 E HN 0.536 nan 8.360 nan 0.000 0.401 3 L N 6.774 128.003 121.223 0.011 0.000 2.372 3 L HA 0.383 4.727 4.340 0.008 0.000 0.273 3 L C -1.185 175.687 176.870 0.002 0.000 0.989 3 L CA -0.724 54.122 54.840 0.010 0.000 0.841 3 L CB 1.425 43.495 42.059 0.018 0.000 1.225 3 L HN 0.432 nan 8.230 nan 0.000 0.414 4 V N 2.885 122.796 119.914 -0.004 0.000 3.126 4 V HA 0.881 5.006 4.120 0.008 0.000 0.314 4 V C -1.045 175.031 176.094 -0.030 0.000 1.138 4 V CA -0.761 61.530 62.300 -0.015 0.000 1.034 4 V CB 2.168 33.984 31.823 -0.012 0.000 1.075 4 V HN 0.370 nan 8.190 nan 0.000 0.442 5 V N 1.883 121.771 119.914 -0.043 0.000 2.588 5 V HA 0.656 4.781 4.120 0.008 0.000 0.304 5 V C -0.137 175.925 176.094 -0.053 0.000 1.042 5 V CA -0.585 61.674 62.300 -0.068 0.000 0.877 5 V CB 1.581 33.345 31.823 -0.098 0.000 0.996 5 V HN 1.051 nan 8.190 nan 0.000 0.425 6 K N 1.835 122.204 120.400 -0.051 0.000 2.433 6 K HA 0.641 4.966 4.320 0.008 0.000 0.252 6 K C -0.002 176.574 176.600 -0.040 0.000 1.015 6 K CA -0.754 55.510 56.287 -0.038 0.000 0.860 6 K CB 2.263 34.750 32.500 -0.022 0.000 1.359 6 K HN 0.483 nan 8.250 nan 0.000 0.452 7 S N 0.537 116.218 115.700 -0.032 0.000 2.730 7 S HA 0.066 4.541 4.470 0.008 0.000 0.244 7 S C 0.236 174.828 174.600 -0.013 0.000 1.022 7 S CA -0.483 57.701 58.200 -0.028 0.000 1.014 7 S CB 0.342 63.520 63.200 -0.037 0.000 0.963 7 S HN 0.447 nan 8.310 nan 0.000 0.540 8 V N 0.819 120.727 119.914 -0.009 0.000 3.237 8 V HA 0.715 4.840 4.120 0.008 0.000 0.305 8 V C 0.533 176.629 176.094 0.004 0.000 1.096 8 V CA -1.112 61.186 62.300 -0.003 0.000 1.130 8 V CB -0.022 31.800 31.823 -0.002 0.000 1.048 8 V HN 0.288 nan 8.190 nan 0.000 0.484 9 A N 2.579 125.403 122.820 0.007 0.000 2.477 9 A HA 0.634 4.959 4.320 0.008 0.000 0.246 9 A C 1.571 179.164 177.584 0.014 0.000 1.078 9 A CA 0.161 52.205 52.037 0.012 0.000 0.770 9 A CB 0.251 19.257 19.000 0.010 0.000 1.011 9 A HN 1.949 nan 8.150 nan 0.000 0.494 10 A N 2.649 125.481 122.820 0.020 0.000 1.948 10 A HA 0.054 4.378 4.320 0.008 0.000 0.220 10 A C 2.296 179.890 177.584 0.018 0.000 1.177 10 A CA 2.377 54.427 52.037 0.022 0.000 0.636 10 A CB -0.895 18.123 19.000 0.030 0.000 0.815 10 A HN 1.753 nan 8.150 nan 0.000 0.449 11 A N -0.036 122.794 122.820 0.016 0.000 2.067 11 A HA -0.006 4.319 4.320 0.008 0.000 0.219 11 A C 2.325 179.915 177.584 0.010 0.000 1.158 11 A CA 1.988 54.032 52.037 0.013 0.000 0.661 11 A CB -0.673 18.334 19.000 0.012 0.000 0.801 11 A HN 1.040 nan 8.150 nan 0.000 0.452 12 S N -1.068 114.638 115.700 0.009 0.000 2.548 12 S HA 0.198 4.673 4.470 0.008 0.000 0.215 12 S C 0.334 174.938 174.600 0.006 0.000 0.976 12 S CA 0.201 58.405 58.200 0.007 0.000 0.908 12 S CB -0.390 62.813 63.200 0.005 0.000 0.781 12 S HN 0.114 nan 8.310 nan 0.000 0.519 13 V N 2.760 122.679 119.914 0.008 0.000 2.432 13 V HA 0.338 4.463 4.120 0.008 0.000 0.275 13 V C 0.239 176.337 176.094 0.007 0.000 1.043 13 V CA -0.890 61.414 62.300 0.007 0.000 0.925 13 V CB 1.034 32.862 31.823 0.008 0.000 0.985 13 V HN 0.374 nan 8.190 nan 0.000 0.466 14 K N 3.351 123.754 120.400 0.005 0.000 2.383 14 K HA 0.409 4.734 4.320 0.008 0.000 0.286 14 K C -0.201 176.402 176.600 0.005 0.000 1.051 14 K CA 0.229 56.519 56.287 0.004 0.000 0.974 14 K CB 0.491 32.992 32.500 0.003 0.000 0.968 14 K HN 0.886 nan 8.250 nan 0.000 0.475 15 T N 1.830 116.387 114.554 0.006 0.000 2.840 15 T HA 0.426 4.781 4.350 0.008 0.000 0.317 15 T C 0.397 175.101 174.700 0.006 0.000 1.401 15 T CA -0.021 62.083 62.100 0.006 0.000 1.028 15 T CB 1.343 70.216 68.868 0.009 0.000 1.317 15 T HN 0.526 nan 8.240 nan 0.000 0.495 16 A N 1.609 124.432 122.820 0.006 0.000 1.930 16 A HA 0.318 4.643 4.320 0.008 0.000 0.217 16 A C 0.892 178.480 177.584 0.006 0.000 1.175 16 A CA 1.325 53.365 52.037 0.005 0.000 0.627 16 A CB -0.312 18.690 19.000 0.004 0.000 0.815 16 A HN 0.806 nan 8.150 nan 0.000 0.443 17 T N -0.383 114.176 114.554 0.008 0.000 3.109 17 T HA 0.473 4.828 4.350 0.008 0.000 0.311 17 T C -1.239 173.470 174.700 0.014 0.000 1.011 17 T CA -0.418 61.688 62.100 0.010 0.000 1.026 17 T CB 1.559 70.433 68.868 0.009 0.000 1.047 17 T HN 0.250 nan 8.240 nan 0.000 0.448 18 L N 4.619 125.852 121.223 0.016 0.000 2.275 18 L HA 0.770 5.115 4.340 0.008 0.000 0.288 18 L C -0.955 175.930 176.870 0.025 0.000 1.046 18 L CA -0.341 54.512 54.840 0.022 0.000 0.805 18 L CB 0.996 43.068 42.059 0.021 0.000 1.193 18 L HN 0.480 nan 8.230 nan 0.000 0.426 19 V N 6.826 126.759 119.914 0.033 0.000 2.417 19 V HA 0.544 4.668 4.120 0.008 0.000 0.291 19 V C 0.054 176.178 176.094 0.050 0.000 1.024 19 V CA -0.454 61.868 62.300 0.037 0.000 0.861 19 V CB 1.226 33.071 31.823 0.036 0.000 0.985 19 V HN 0.766 nan 8.190 nan 0.000 0.436 20 I N 3.233 123.831 120.570 0.047 0.000 2.828 20 I HA 0.811 4.986 4.170 0.008 0.000 0.302 20 I C -2.876 173.273 176.117 0.054 0.000 1.101 20 I CA -2.587 58.746 61.300 0.054 0.000 1.031 20 I CB 2.911 40.937 38.000 0.043 0.000 1.231 20 I HN 0.359 nan 8.210 nan 0.000 0.427 21 P HA 0.437 nan 4.420 nan 0.000 0.285 21 P C -1.069 176.256 177.300 0.042 0.000 1.269 21 P CA -0.556 62.580 63.100 0.060 0.000 0.844 21 P CB 2.265 34.011 31.700 0.078 0.000 1.094 22 V N 1.208 121.144 119.914 0.036 0.000 2.623 22 V HA 0.546 4.671 4.120 0.008 0.000 0.304 22 V C 0.792 176.899 176.094 0.023 0.000 1.054 22 V CA -0.591 61.724 62.300 0.026 0.000 0.882 22 V CB 1.753 33.589 31.823 0.021 0.000 1.002 22 V HN 0.818 nan 8.190 nan 0.000 0.424 23 G N 2.465 111.276 108.800 0.017 0.000 2.616 23 G HA2 0.425 4.390 3.960 0.008 0.000 0.268 23 G HA3 0.425 4.390 3.960 0.008 0.000 0.268 23 G C -0.105 174.801 174.900 0.010 0.000 1.213 23 G CA -0.417 44.691 45.100 0.013 0.000 0.926 23 G HN 0.720 nan 8.290 nan 0.000 0.523 24 E N -0.425 119.780 120.200 0.008 0.000 2.458 24 E HA -0.058 4.297 4.350 0.008 0.000 0.264 24 E C 0.246 176.849 176.600 0.004 0.000 1.097 24 E CA 0.758 57.161 56.400 0.006 0.000 0.973 24 E CB 0.227 29.930 29.700 0.003 0.000 0.963 24 E HN 0.604 nan 8.360 nan 0.000 0.451 25 N N 1.101 119.804 118.700 0.004 0.000 2.714 25 N HA -0.270 4.475 4.740 0.008 0.000 0.250 25 N C -0.789 174.723 175.510 0.004 0.000 1.117 25 N CA 0.684 53.736 53.050 0.003 0.000 0.719 25 N CB -0.974 37.514 38.487 0.002 0.000 1.081 25 N HN 0.530 nan 8.380 nan 0.000 0.557 26 R N -1.959 118.545 120.500 0.006 0.000 3.627 26 R HA -0.255 4.090 4.340 0.008 0.000 0.281 26 R C -0.173 176.131 176.300 0.008 0.000 1.140 26 R CA 1.266 57.371 56.100 0.007 0.000 0.761 26 R CB -1.375 28.929 30.300 0.007 0.000 1.181 26 R HN 0.501 nan 8.270 nan 0.000 0.472 27 K N 1.690 122.094 120.400 0.007 0.000 2.349 27 K HA 0.222 4.547 4.320 0.008 0.000 0.288 27 K C -0.313 176.292 176.600 0.009 0.000 1.058 27 K CA -0.109 56.181 56.287 0.006 0.000 0.953 27 K CB 0.488 32.990 32.500 0.004 0.000 0.997 27 K HN 0.132 nan 8.250 nan 0.000 0.477 28 L N 4.072 125.301 121.223 0.009 0.000 2.296 28 L HA 0.398 4.743 4.340 0.008 0.000 0.286 28 L C 0.948 177.824 176.870 0.011 0.000 1.023 28 L CA -0.989 53.858 54.840 0.012 0.000 0.812 28 L CB 1.642 43.709 42.059 0.013 0.000 1.223 28 L HN 0.785 nan 8.230 nan 0.000 0.421 29 G N 1.099 109.907 108.800 0.012 0.000 2.653 29 G HA2 0.348 4.313 3.960 0.008 0.000 0.265 29 G HA3 0.348 4.313 3.960 0.008 0.000 0.265 29 G C 0.958 175.867 174.900 0.015 0.000 1.237 29 G CA 0.184 45.291 45.100 0.011 0.000 0.946 29 G HN 0.807 nan 8.290 nan 0.000 0.522 30 A N -0.937 121.892 122.820 0.014 0.000 1.933 30 A HA -0.021 4.304 4.320 0.008 0.000 0.218 30 A C 2.540 180.137 177.584 0.021 0.000 1.175 30 A CA 2.016 54.062 52.037 0.016 0.000 0.628 30 A CB -0.630 18.380 19.000 0.016 0.000 0.814 30 A HN 0.508 nan 8.150 nan 0.000 0.444 31 V N -0.235 119.695 119.914 0.027 0.000 2.261 31 V HA -0.241 3.884 4.120 0.008 0.000 0.246 31 V C 3.063 179.175 176.094 0.030 0.000 1.047 31 V CA 2.008 64.328 62.300 0.033 0.000 1.015 31 V CB -1.259 30.591 31.823 0.045 0.000 0.642 31 V HN 0.610 nan 8.190 nan 0.000 0.446 32 A N -0.711 122.127 122.820 0.029 0.000 1.933 32 A HA -0.224 4.100 4.320 0.008 0.000 0.218 32 A C 2.304 179.900 177.584 0.020 0.000 1.175 32 A CA 1.856 53.908 52.037 0.026 0.000 0.628 32 A CB -0.438 18.578 19.000 0.027 0.000 0.814 32 A HN 0.523 nan 8.150 nan 0.000 0.444 33 K N -0.462 119.949 120.400 0.018 0.000 2.057 33 K HA -0.083 4.242 4.320 0.008 0.000 0.207 33 K C 2.287 178.896 176.600 0.014 0.000 1.049 33 K CA 1.115 57.410 56.287 0.014 0.000 0.931 33 K CB -0.282 32.226 32.500 0.012 0.000 0.714 33 K HN 0.452 nan 8.250 nan 0.000 0.440 34 A N 0.772 123.601 122.820 0.016 0.000 1.930 34 A HA -0.100 4.225 4.320 0.008 0.000 0.217 34 A C 2.273 179.866 177.584 0.015 0.000 1.175 34 A CA 1.224 53.269 52.037 0.015 0.000 0.627 34 A CB -0.446 18.564 19.000 0.016 0.000 0.815 34 A HN 0.076 nan 8.150 nan 0.000 0.443 35 V N 0.446 120.371 119.914 0.017 0.000 2.358 35 V HA -0.225 3.900 4.120 0.008 0.000 0.246 35 V C 2.342 178.444 176.094 0.014 0.000 1.047 35 V CA 2.338 64.648 62.300 0.017 0.000 1.035 35 V CB -0.751 31.084 31.823 0.020 0.000 0.658 35 V HN 0.668 nan 8.190 nan 0.000 0.452 36 D N 0.012 120.420 120.400 0.014 0.000 2.117 36 D HA -0.186 4.458 4.640 0.008 0.000 0.197 36 D C 1.958 178.264 176.300 0.010 0.000 0.987 36 D CA 1.262 55.269 54.000 0.012 0.000 0.829 36 D CB -0.138 40.669 40.800 0.011 0.000 0.961 36 D HN 0.301 nan 8.370 nan 0.000 0.460 37 L N 0.313 121.542 121.223 0.010 0.000 2.046 37 L HA 0.023 4.368 4.340 0.008 0.000 0.208 37 L C 2.168 179.043 176.870 0.008 0.000 1.077 37 L CA 2.048 56.893 54.840 0.008 0.000 0.747 37 L CB -0.859 41.205 42.059 0.008 0.000 0.896 37 L HN 0.067 nan 8.230 nan 0.000 0.432 38 A N -1.015 121.811 122.820 0.009 0.000 1.972 38 A HA -0.184 4.140 4.320 0.008 0.000 0.219 38 A C 2.331 179.919 177.584 0.008 0.000 1.169 38 A CA 1.635 53.676 52.037 0.008 0.000 0.635 38 A CB -1.001 18.005 19.000 0.009 0.000 0.810 38 A HN 0.643 nan 8.150 nan 0.000 0.446 39 S N -0.814 114.891 115.700 0.008 0.000 2.650 39 S HA 0.097 4.572 4.470 0.008 0.000 0.219 39 S C 0.318 174.922 174.600 0.007 0.000 0.960 39 S CA 0.693 58.898 58.200 0.008 0.000 0.925 39 S CB -0.561 62.645 63.200 0.009 0.000 0.775 39 S HN 0.584 nan 8.310 nan 0.000 0.525 40 E N -0.012 120.191 120.200 0.006 0.000 2.476 40 E HA -0.197 4.158 4.350 0.008 0.000 0.251 40 E C 0.738 177.342 176.600 0.006 0.000 1.130 40 E CA 0.303 56.707 56.400 0.006 0.000 0.736 40 E CB -2.002 27.700 29.700 0.005 0.000 1.298 40 E HN 1.035 nan 8.360 nan 0.000 0.400 41 G N -1.606 107.198 108.800 0.006 0.000 2.143 41 G HA2 -0.339 3.626 3.960 0.008 0.000 0.249 41 G HA3 -0.339 3.626 3.960 0.008 0.000 0.249 41 G C 0.919 175.823 174.900 0.006 0.000 0.981 41 G CA 0.634 45.738 45.100 0.006 0.000 0.665 41 G HN 0.808 nan 8.290 nan 0.000 0.528 42 A N -0.208 122.616 122.820 0.007 0.000 1.930 42 A HA 0.307 4.632 4.320 0.008 0.000 0.217 42 A C 2.333 179.921 177.584 0.007 0.000 1.175 42 A CA 1.777 53.818 52.037 0.006 0.000 0.627 42 A CB -0.248 18.756 19.000 0.006 0.000 0.815 42 A HN 0.734 nan 8.150 nan 0.000 0.443 43 I N 0.522 121.097 120.570 0.008 0.000 2.202 43 I HA -0.225 3.949 4.170 0.008 0.000 0.242 43 I C 2.878 179.001 176.117 0.009 0.000 1.091 43 I CA 1.567 62.873 61.300 0.009 0.000 1.368 43 I CB -0.229 37.778 38.000 0.012 0.000 1.058 43 I HN 0.481 nan 8.210 nan 0.000 0.410 44 S N 1.252 116.957 115.700 0.008 0.000 2.402 44 S HA -0.089 4.386 4.470 0.008 0.000 0.229 44 S C 2.214 176.817 174.600 0.006 0.000 1.021 44 S CA 0.742 58.947 58.200 0.008 0.000 0.974 44 S CB -0.552 62.652 63.200 0.007 0.000 0.800 44 S HN 0.389 nan 8.310 nan 0.000 0.484 45 A N 2.493 125.316 122.820 0.006 0.000 1.877 45 A HA -0.002 4.323 4.320 0.008 0.000 0.216 45 A C 2.584 180.171 177.584 0.005 0.000 1.186 45 A CA 2.032 54.072 52.037 0.005 0.000 0.620 45 A CB -1.407 17.596 19.000 0.005 0.000 0.822 45 A HN 1.058 nan 8.150 nan 0.000 0.443 46 V N -1.763 118.155 119.914 0.006 0.000 2.343 46 V HA -0.211 3.914 4.120 0.008 0.000 0.247 46 V C 2.305 178.403 176.094 0.006 0.000 1.051 46 V CA 1.993 64.297 62.300 0.006 0.000 1.036 46 V CB -1.102 30.725 31.823 0.006 0.000 0.654 46 V HN 0.441 nan 8.190 nan 0.000 0.451 47 L N -0.290 120.937 121.223 0.007 0.000 2.131 47 L HA -0.152 4.193 4.340 0.008 0.000 0.210 47 L C 2.866 179.740 176.870 0.006 0.000 1.092 47 L CA 2.020 56.864 54.840 0.007 0.000 0.759 47 L CB -0.639 41.425 42.059 0.008 0.000 0.903 47 L HN 0.307 nan 8.230 nan 0.000 0.435 48 K N -0.177 120.226 120.400 0.005 0.000 2.211 48 K HA -0.151 4.174 4.320 0.008 0.000 0.204 48 K C 2.099 178.701 176.600 0.004 0.000 1.047 48 K CA 1.027 57.316 56.287 0.004 0.000 0.935 48 K CB -0.081 32.421 32.500 0.004 0.000 0.728 48 K HN 0.274 nan 8.250 nan 0.000 0.452 49 R N -0.599 119.904 120.500 0.004 0.000 2.237 49 R HA -0.044 4.301 4.340 0.008 0.000 0.219 49 R C 1.152 177.454 176.300 0.003 0.000 1.080 49 R CA 0.874 56.976 56.100 0.003 0.000 0.995 49 R CB 0.067 30.369 30.300 0.003 0.000 0.875 49 R HN 0.435 nan 8.270 nan 0.000 0.462 50 G N 1.061 109.863 108.800 0.004 0.000 2.141 50 G HA2 -0.222 3.743 3.960 0.008 0.000 0.231 50 G HA3 -0.222 3.743 3.960 0.008 0.000 0.231 50 G C 0.261 175.163 174.900 0.004 0.000 0.984 50 G CA 0.342 45.444 45.100 0.004 0.000 0.660 50 G HN 0.272 nan 8.290 nan 0.000 0.525 51 D N -0.677 119.725 120.400 0.004 0.000 2.224 51 D HA 0.073 4.717 4.640 0.008 0.000 0.205 51 D C 1.185 177.488 176.300 0.005 0.000 0.965 51 D CA 0.724 54.726 54.000 0.004 0.000 0.852 51 D CB 0.234 41.037 40.800 0.004 0.000 0.947 51 D HN 0.477 nan 8.370 nan 0.000 0.494 52 L N 0.269 121.495 121.223 0.006 0.000 2.276 52 L HA 0.488 4.833 4.340 0.008 0.000 0.286 52 L C 0.766 177.640 176.870 0.007 0.000 1.024 52 L CA -0.529 54.315 54.840 0.007 0.000 0.826 52 L CB 1.292 43.356 42.059 0.008 0.000 1.211 52 L HN -0.158 nan 8.230 nan 0.000 0.422 53 A N 3.640 126.464 122.820 0.006 0.000 2.167 53 A HA 0.396 4.721 4.320 0.008 0.000 0.214 53 A C 1.570 179.158 177.584 0.007 0.000 1.151 53 A CA 0.678 52.718 52.037 0.005 0.000 0.735 53 A CB -0.677 18.325 19.000 0.004 0.000 0.802 53 A HN 1.622 nan 8.150 nan 0.000 0.467 54 G N -0.631 108.174 108.800 0.009 0.000 2.159 54 G HA2 -0.259 3.705 3.960 0.008 0.000 0.256 54 G HA3 -0.259 3.705 3.960 0.008 0.000 0.256 54 G C 0.183 175.091 174.900 0.013 0.000 0.977 54 G CA 0.408 45.515 45.100 0.012 0.000 0.652 54 G HN 0.588 nan 8.290 nan 0.000 0.531 55 K N 0.921 121.327 120.400 0.011 0.000 2.319 55 K HA 0.318 4.643 4.320 0.008 0.000 0.265 55 K C -2.318 174.291 176.600 0.015 0.000 1.000 55 K CA -1.450 54.843 56.287 0.011 0.000 0.943 55 K CB 0.496 33.000 32.500 0.006 0.000 0.950 55 K HN -0.008 nan 8.250 nan 0.000 0.485 56 P HA -0.092 nan 4.420 nan 0.000 0.263 56 P C 0.687 177.998 177.300 0.019 0.000 1.195 56 P CA 1.061 64.179 63.100 0.029 0.000 0.762 56 P CB 0.464 32.186 31.700 0.036 0.000 0.799 57 G N 2.462 111.274 108.800 0.020 0.000 2.225 57 G HA2 -0.267 3.698 3.960 0.008 0.000 0.254 57 G HA3 -0.267 3.698 3.960 0.008 0.000 0.254 57 G C 0.264 175.166 174.900 0.003 0.000 0.988 57 G CA -0.239 44.864 45.100 0.004 0.000 0.625 57 G HN 0.558 nan 8.290 nan 0.000 0.527 58 Q N 1.119 120.924 119.800 0.007 0.000 2.432 58 Q HA 0.479 4.824 4.340 0.008 0.000 0.264 58 Q C 0.594 176.599 176.000 0.007 0.000 1.035 58 Q CA 1.137 56.943 55.803 0.006 0.000 0.908 58 Q CB 0.610 29.352 28.738 0.007 0.000 1.280 58 Q HN 0.625 nan 8.270 nan 0.000 0.455 59 T N -0.942 113.615 114.554 0.005 0.000 2.903 59 T HA 0.724 5.079 4.350 0.008 0.000 0.299 59 T C -1.008 173.696 174.700 0.007 0.000 1.093 59 T CA -0.939 61.165 62.100 0.006 0.000 1.002 59 T CB 1.146 70.016 68.868 0.003 0.000 1.127 59 T HN 0.507 nan 8.240 nan 0.000 0.488 60 L N 2.154 123.382 121.223 0.008 0.000 2.476 60 L HA 0.702 5.047 4.340 0.008 0.000 0.269 60 L C -1.850 175.025 176.870 0.008 0.000 0.965 60 L CA -1.174 53.670 54.840 0.007 0.000 0.845 60 L CB 1.801 43.864 42.059 0.008 0.000 1.259 60 L HN 0.779 nan 8.230 nan 0.000 0.403 61 L N 5.624 126.851 121.223 0.006 0.000 2.296 61 L HA 0.607 4.951 4.340 0.008 0.000 0.286 61 L C -1.246 175.628 176.870 0.006 0.000 1.023 61 L CA 0.003 54.847 54.840 0.007 0.000 0.812 61 L CB 1.385 43.447 42.059 0.005 0.000 1.223 61 L HN 0.537 nan 8.230 nan 0.000 0.421 62 L N 4.542 125.770 121.223 0.007 0.000 2.331 62 L HA 0.547 4.892 4.340 0.008 0.000 0.275 62 L C 0.028 176.902 176.870 0.006 0.000 1.022 62 L CA -0.850 53.994 54.840 0.007 0.000 0.812 62 L CB 1.594 43.658 42.059 0.008 0.000 1.257 62 L HN 0.592 nan 8.230 nan 0.000 0.435 63 Q N 0.733 120.536 119.800 0.005 0.000 2.162 63 Q HA 0.293 4.638 4.340 0.008 0.000 0.197 63 Q C -0.703 175.300 176.000 0.005 0.000 1.013 63 Q CA -1.065 54.741 55.803 0.005 0.000 1.040 63 Q CB 0.287 29.028 28.738 0.004 0.000 1.114 63 Q HN 0.401 nan 8.270 nan 0.000 0.547 64 N N 0.921 119.623 118.700 0.005 0.000 2.223 64 N HA -0.044 4.700 4.740 0.008 0.000 0.271 64 N C -0.684 174.829 175.510 0.005 0.000 1.315 64 N CA 0.707 53.760 53.050 0.005 0.000 0.835 64 N CB -0.051 38.438 38.487 0.004 0.000 1.066 64 N HN 0.301 nan 8.380 nan 0.000 0.486 65 L N 1.519 122.745 121.223 0.006 0.000 2.322 65 L HA 0.319 4.664 4.340 0.008 0.000 0.281 65 L C 0.778 177.651 176.870 0.005 0.000 1.014 65 L CA -0.780 54.063 54.840 0.006 0.000 0.815 65 L CB 1.651 43.714 42.059 0.007 0.000 1.247 65 L HN 0.431 nan 8.230 nan 0.000 0.421 66 Q N 1.582 121.385 119.800 0.005 0.000 2.330 66 Q HA 0.260 4.605 4.340 0.008 0.000 0.279 66 Q C 0.999 177.002 176.000 0.005 0.000 1.024 66 Q CA 1.243 57.048 55.803 0.005 0.000 0.900 66 Q CB 0.649 29.390 28.738 0.004 0.000 1.221 66 Q HN 0.893 nan 8.270 nan 0.000 0.396 67 G N 2.936 111.739 108.800 0.005 0.000 2.213 67 G HA2 -0.210 3.754 3.960 0.008 0.000 0.226 67 G HA3 -0.210 3.754 3.960 0.008 0.000 0.226 67 G C -0.230 174.674 174.900 0.006 0.000 0.992 67 G CA 0.048 45.152 45.100 0.005 0.000 0.632 67 G HN 0.510 nan 8.290 nan 0.000 0.511 68 L N -0.466 120.761 121.223 0.007 0.000 2.333 68 L HA 0.602 4.947 4.340 0.008 0.000 0.269 68 L C 1.141 178.015 176.870 0.007 0.000 1.010 68 L CA -0.984 53.861 54.840 0.008 0.000 0.818 68 L CB 1.758 43.822 42.059 0.009 0.000 1.306 68 L HN -0.016 nan 8.230 nan 0.000 0.430 69 K N 0.858 121.262 120.400 0.007 0.000 2.404 69 K HA 0.256 4.581 4.320 0.008 0.000 0.194 69 K C 0.421 177.024 176.600 0.006 0.000 1.023 69 K CA -0.112 56.179 56.287 0.006 0.000 1.094 69 K CB 0.668 33.172 32.500 0.005 0.000 0.841 69 K HN 0.654 nan 8.250 nan 0.000 0.523 70 A N 1.382 124.207 122.820 0.008 0.000 2.388 70 A HA 0.086 4.411 4.320 0.008 0.000 0.257 70 A C 0.554 178.142 177.584 0.007 0.000 1.095 70 A CA -0.281 51.761 52.037 0.008 0.000 0.791 70 A CB 0.402 19.409 19.000 0.011 0.000 1.029 70 A HN 0.236 nan 8.150 nan 0.000 0.489 71 E N 0.826 121.030 120.200 0.006 0.000 2.152 71 E HA -0.059 4.295 4.350 0.008 0.000 0.192 71 E C 0.158 176.761 176.600 0.006 0.000 0.983 71 E CA 0.855 57.258 56.400 0.005 0.000 0.818 71 E CB 0.134 29.837 29.700 0.004 0.000 0.758 71 E HN 0.648 nan 8.360 nan 0.000 0.467 72 R N -0.122 120.383 120.500 0.007 0.000 2.771 72 R HA 0.489 4.834 4.340 0.008 0.000 0.274 72 R C -1.429 174.877 176.300 0.010 0.000 0.987 72 R CA -0.647 55.458 56.100 0.007 0.000 0.908 72 R CB 2.617 32.921 30.300 0.007 0.000 1.213 72 R HN -0.179 nan 8.270 nan 0.000 0.468 73 V N 2.948 122.868 119.914 0.010 0.000 2.444 73 V HA 0.344 4.469 4.120 0.008 0.000 0.294 73 V C -0.989 175.113 176.094 0.013 0.000 1.022 73 V CA -0.819 61.489 62.300 0.013 0.000 0.850 73 V CB 1.708 33.539 31.823 0.014 0.000 0.992 73 V HN 0.474 nan 8.190 nan 0.000 0.426 74 L N 6.823 128.055 121.223 0.015 0.000 2.265 74 L HA 0.569 4.914 4.340 0.008 0.000 0.289 74 L C -0.503 176.378 176.870 0.019 0.000 1.033 74 L CA 0.148 54.996 54.840 0.014 0.000 0.814 74 L CB 0.938 43.004 42.059 0.012 0.000 1.203 74 L HN 0.525 nan 8.230 nan 0.000 0.423 75 L N 6.054 127.287 121.223 0.017 0.000 2.290 75 L HA 0.513 4.858 4.340 0.008 0.000 0.284 75 L C -0.266 176.617 176.870 0.021 0.000 1.078 75 L CA -0.599 54.254 54.840 0.021 0.000 0.815 75 L CB 1.456 43.526 42.059 0.018 0.000 1.162 75 L HN 0.430 nan 8.230 nan 0.000 0.435 76 V N 2.959 122.889 119.914 0.028 0.000 2.540 76 V HA 0.637 4.761 4.120 0.008 0.000 0.302 76 V C 0.511 176.626 176.094 0.034 0.000 1.035 76 V CA -0.375 61.942 62.300 0.027 0.000 0.873 76 V CB 1.860 33.699 31.823 0.027 0.000 0.992 76 V HN 0.822 nan 8.190 nan 0.000 0.428 77 G N 3.911 112.728 108.800 0.028 0.000 2.305 77 G HA2 0.303 4.268 3.960 0.008 0.000 0.243 77 G HA3 0.303 4.268 3.960 0.008 0.000 0.243 77 G C 0.784 175.711 174.900 0.044 0.000 1.288 77 G CA 0.386 45.504 45.100 0.030 0.000 0.901 77 G HN 1.394 nan 8.290 nan 0.000 0.516 78 S N 1.281 117.008 115.700 0.044 0.000 2.559 78 S HA 0.511 4.986 4.470 0.008 0.000 0.226 78 S C 1.341 175.963 174.600 0.036 0.000 1.000 78 S CA 0.635 58.868 58.200 0.056 0.000 0.948 78 S CB -0.025 63.208 63.200 0.055 0.000 0.870 78 S HN 2.261 nan 8.310 nan 0.000 0.497 79 G N 1.968 110.783 108.800 0.025 0.000 2.542 79 G HA2 -0.209 3.756 3.960 0.008 0.000 0.235 79 G HA3 -0.209 3.756 3.960 0.008 0.000 0.235 79 G C -0.579 174.325 174.900 0.007 0.000 1.286 79 G CA -0.356 44.753 45.100 0.015 0.000 0.904 79 G HN 0.554 nan 8.290 nan 0.000 0.577 80 K N -0.062 120.338 120.400 0.002 0.000 2.120 80 K HA 0.274 4.599 4.320 0.008 0.000 0.245 80 K C 1.062 177.657 176.600 -0.008 0.000 1.024 80 K CA -0.131 56.154 56.287 -0.003 0.000 0.906 80 K CB 0.255 32.752 32.500 -0.005 0.000 1.051 80 K HN 0.437 nan 8.250 nan 0.000 0.491 81 D N 1.299 121.693 120.400 -0.011 0.000 2.221 81 D HA -0.141 4.504 4.640 0.008 0.000 0.204 81 D C 0.177 176.461 176.300 -0.026 0.000 0.982 81 D CA 1.006 54.996 54.000 -0.017 0.000 0.857 81 D CB 0.070 40.861 40.800 -0.016 0.000 0.934 81 D HN 0.452 nan 8.370 nan 0.000 0.475 82 E N 0.132 120.318 120.200 -0.024 0.000 2.442 82 E HA 0.171 4.525 4.350 0.008 0.000 0.262 82 E C -0.230 176.344 176.600 -0.043 0.000 1.004 82 E CA -0.426 55.956 56.400 -0.030 0.000 0.928 82 E CB 0.644 30.330 29.700 -0.023 0.000 0.937 82 E HN 0.060 nan 8.360 nan 0.000 0.446 83 A N 4.371 127.157 122.820 -0.057 0.000 2.520 83 A HA 0.126 4.451 4.320 0.008 0.000 0.235 83 A C -0.047 177.494 177.584 -0.072 0.000 1.065 83 A CA -0.041 51.945 52.037 -0.086 0.000 0.764 83 A CB 0.190 19.130 19.000 -0.099 0.000 1.002 83 A HN 0.626 nan 8.150 nan 0.000 0.502 84 L N 1.967 123.136 121.223 -0.091 0.000 2.371 84 L HA 0.438 4.783 4.340 0.008 0.000 0.272 84 L C 1.324 178.173 176.870 -0.034 0.000 1.124 84 L CA -0.379 54.438 54.840 -0.037 0.000 0.816 84 L CB 0.827 42.894 42.059 0.014 0.000 1.129 84 L HN 0.888 nan 8.230 nan 0.000 0.448 85 G N 0.509 109.309 108.800 0.000 0.000 2.634 85 G HA2 0.036 4.001 3.960 0.008 0.000 0.255 85 G HA3 0.036 4.001 3.960 0.008 0.000 0.255 85 G C 0.346 175.281 174.900 0.058 0.000 1.205 85 G CA -0.383 44.722 45.100 0.007 0.000 0.884 85 G HN 0.716 nan 8.290 nan 0.000 0.549 86 D N -0.318 120.116 120.400 0.055 0.000 2.123 86 D HA -0.107 4.538 4.640 0.008 0.000 0.196 86 D C 2.448 178.814 176.300 0.110 0.000 0.992 86 D CA 0.909 54.974 54.000 0.109 0.000 0.833 86 D CB 0.054 40.894 40.800 0.067 0.000 0.954 86 D HN 0.317 nan 8.370 nan 0.000 0.455 87 R N 0.146 120.674 120.500 0.047 0.000 2.092 87 R HA -0.002 4.343 4.340 0.008 0.000 0.231 87 R C 2.127 178.446 176.300 0.032 0.000 1.119 87 R CA 1.376 57.486 56.100 0.016 0.000 0.970 87 R CB -0.773 29.513 30.300 -0.024 0.000 0.864 87 R HN 0.066 nan 8.270 nan 0.000 0.440 88 T N -0.171 114.418 114.554 0.058 0.000 2.777 88 T HA -0.150 4.205 4.350 0.008 0.000 0.266 88 T C 1.333 176.114 174.700 0.135 0.000 1.040 88 T CA 1.217 63.358 62.100 0.069 0.000 1.141 88 T CB -0.375 68.530 68.868 0.062 0.000 0.868 88 T HN 0.479 nan 8.240 nan 0.000 0.444 89 W N 2.407 123.675 121.300 -0.054 0.000 2.355 89 W HA -0.163 4.502 4.660 0.008 0.000 0.309 89 W C 2.136 178.620 176.519 -0.058 0.000 1.206 89 W CA 0.839 58.146 57.345 -0.065 0.000 1.284 89 W CB -0.140 29.270 29.460 -0.084 0.000 1.145 89 W HN 0.173 nan 8.180 nan 0.000 0.502 90 R N 0.410 120.829 120.500 -0.136 0.000 2.096 90 R HA -0.136 4.209 4.340 0.008 0.000 0.235 90 R C 2.265 178.439 176.300 -0.211 0.000 1.127 90 R CA 1.636 57.566 56.100 -0.282 0.000 0.968 90 R CB -0.440 29.775 30.300 -0.142 0.000 0.861 90 R HN 0.179 nan 8.270 nan 0.000 0.440 91 K N 0.895 121.230 120.400 -0.109 0.000 2.097 91 K HA -0.125 4.200 4.320 0.008 0.000 0.206 91 K C 2.163 178.706 176.600 -0.095 0.000 1.049 91 K CA 0.991 57.230 56.287 -0.080 0.000 0.933 91 K CB -0.231 32.247 32.500 -0.036 0.000 0.717 91 K HN 0.146 nan 8.250 nan 0.000 0.442 92 L N 1.020 122.185 121.223 -0.096 0.000 1.989 92 L HA -0.233 4.112 4.340 0.008 0.000 0.211 92 L C 2.137 178.896 176.870 -0.186 0.000 1.071 92 L CA 1.340 56.125 54.840 -0.092 0.000 0.749 92 L CB -0.200 41.858 42.059 -0.001 0.000 0.890 92 L HN -0.046 nan 8.230 nan 0.000 0.431 93 V N 0.149 119.845 119.914 -0.364 0.000 2.343 93 V HA -0.273 3.852 4.120 0.008 0.000 0.247 93 V C 2.797 178.765 176.094 -0.209 0.000 1.051 93 V CA 1.673 63.745 62.300 -0.380 0.000 1.036 93 V CB -0.999 30.468 31.823 -0.593 0.000 0.654 93 V HN 0.618 nan 8.190 nan 0.000 0.451 94 A N -0.574 122.141 122.820 -0.175 0.000 1.933 94 A HA -0.194 4.131 4.320 0.008 0.000 0.218 94 A C 2.485 180.026 177.584 -0.070 0.000 1.175 94 A CA 2.119 54.094 52.037 -0.103 0.000 0.628 94 A CB -0.629 18.321 19.000 -0.082 0.000 0.814 94 A HN 0.500 nan 8.150 nan 0.000 0.444 95 S N -0.394 115.264 115.700 -0.069 0.000 2.356 95 S HA -0.148 4.327 4.470 0.008 0.000 0.223 95 S C 1.927 176.504 174.600 -0.039 0.000 1.032 95 S CA 1.480 59.654 58.200 -0.044 0.000 1.005 95 S CB -0.526 62.653 63.200 -0.036 0.000 0.867 95 S HN 0.358 nan 8.310 nan 0.000 0.449 96 V N 2.071 121.954 119.914 -0.053 0.000 2.287 96 V HA -0.257 3.868 4.120 0.008 0.000 0.248 96 V C 2.652 178.726 176.094 -0.034 0.000 1.053 96 V CA 1.864 64.140 62.300 -0.040 0.000 1.027 96 V CB -1.236 30.556 31.823 -0.051 0.000 0.646 96 V HN 0.558 nan 8.190 nan 0.000 0.447 97 A N 0.324 123.117 122.820 -0.046 0.000 1.933 97 A HA -0.097 4.228 4.320 0.008 0.000 0.218 97 A C 2.409 179.982 177.584 -0.018 0.000 1.175 97 A CA 1.938 53.956 52.037 -0.031 0.000 0.628 97 A CB -1.194 17.783 19.000 -0.038 0.000 0.814 97 A HN 0.552 nan 8.150 nan 0.000 0.444 98 G N -0.574 108.214 108.800 -0.020 0.000 2.418 98 G HA2 -0.112 3.853 3.960 0.008 0.000 0.217 98 G HA3 -0.112 3.853 3.960 0.008 0.000 0.217 98 G C 1.502 176.398 174.900 -0.007 0.000 1.158 98 G CA 1.252 46.346 45.100 -0.010 0.000 0.771 98 G HN 0.321 nan 8.290 nan 0.000 0.545 99 V N 1.012 120.920 119.914 -0.009 0.000 2.307 99 V HA -0.103 4.021 4.120 0.008 0.000 0.245 99 V C 2.908 179.000 176.094 -0.003 0.000 1.045 99 V CA 1.407 63.704 62.300 -0.005 0.000 1.024 99 V CB -0.438 31.382 31.823 -0.004 0.000 0.651 99 V HN 0.343 nan 8.190 nan 0.000 0.449 100 L N -0.542 120.678 121.223 -0.005 0.000 2.131 100 L HA -0.185 4.160 4.340 0.008 0.000 0.210 100 L C 2.557 179.426 176.870 -0.002 0.000 1.092 100 L CA 1.550 56.388 54.840 -0.002 0.000 0.759 100 L CB -0.665 41.392 42.059 -0.003 0.000 0.903 100 L HN 0.286 nan 8.230 nan 0.000 0.435 101 K N 0.047 120.445 120.400 -0.002 0.000 2.147 101 K HA -0.100 4.225 4.320 0.008 0.000 0.205 101 K C 1.977 178.577 176.600 -0.000 0.000 1.049 101 K CA 1.230 57.517 56.287 -0.000 0.000 0.936 101 K CB -0.249 32.252 32.500 0.002 0.000 0.722 101 K HN 0.407 nan 8.250 nan 0.000 0.446 102 G N 0.667 109.467 108.800 -0.000 0.000 2.777 102 G HA2 0.056 4.021 3.960 0.008 0.000 0.211 102 G HA3 0.056 4.021 3.960 0.008 0.000 0.211 102 G C 0.626 175.526 174.900 -0.000 0.000 1.149 102 G CA -0.119 44.981 45.100 -0.000 0.000 0.785 102 G HN -0.001 nan 8.290 nan 0.000 0.536 103 L N -0.112 121.110 121.223 -0.000 0.000 2.456 103 L HA 0.301 4.646 4.340 0.008 0.000 0.257 103 L C 0.851 177.721 176.870 -0.001 0.000 1.162 103 L CA -0.708 54.132 54.840 -0.000 0.000 0.808 103 L CB 0.823 42.882 42.059 0.001 0.000 1.136 103 L HN -0.074 nan 8.230 nan 0.000 0.466 104 N N 0.272 118.971 118.700 -0.001 0.000 2.378 104 N HA 0.113 4.857 4.740 0.008 0.000 0.243 104 N C -0.031 175.479 175.510 -0.001 0.000 1.137 104 N CA -0.150 52.899 53.050 -0.001 0.000 0.862 104 N CB 0.218 38.703 38.487 -0.002 0.000 1.116 104 N HN 0.693 nan 8.380 nan 0.000 0.499 105 G N -1.130 107.670 108.800 -0.000 0.000 2.372 105 G HA2 0.480 4.445 3.960 0.008 0.000 0.283 105 G HA3 0.480 4.445 3.960 0.008 0.000 0.283 105 G C 0.763 175.663 174.900 0.000 0.000 1.177 105 G CA -0.267 44.834 45.100 0.001 0.000 0.842 105 G HN 0.271 nan 8.290 nan 0.000 0.503 106 A N 1.849 124.669 122.820 0.000 0.000 2.067 106 A HA 0.265 4.590 4.320 0.008 0.000 0.217 106 A C 0.992 178.577 177.584 0.001 0.000 1.156 106 A CA 1.467 53.504 52.037 -0.000 0.000 0.683 106 A CB -0.133 18.866 19.000 -0.001 0.000 0.808 106 A HN 0.740 nan 8.150 nan 0.000 0.455 107 D N -3.068 117.333 120.400 0.003 0.000 2.626 107 D HA 0.689 5.334 4.640 0.008 0.000 0.278 107 D C -0.703 175.600 176.300 0.006 0.000 1.211 107 D CA 0.016 54.019 54.000 0.004 0.000 0.903 107 D CB 1.089 41.891 40.800 0.004 0.000 1.408 107 D HN 0.381 nan 8.370 nan 0.000 0.454 108 A N -0.447 122.378 122.820 0.008 0.000 2.587 108 A HA 0.674 4.999 4.320 0.008 0.000 0.293 108 A C -1.651 175.943 177.584 0.016 0.000 1.087 108 A CA -0.735 51.309 52.037 0.012 0.000 0.692 108 A CB 1.840 20.846 19.000 0.011 0.000 1.291 108 A HN 0.503 nan 8.150 nan 0.000 0.407 109 V N 1.679 121.605 119.914 0.021 0.000 2.487 109 V HA 0.429 4.554 4.120 0.008 0.000 0.298 109 V C -0.619 175.500 176.094 0.041 0.000 1.028 109 V CA -0.298 62.018 62.300 0.027 0.000 0.860 109 V CB 1.372 33.208 31.823 0.023 0.000 0.991 109 V HN 0.695 nan 8.190 nan 0.000 0.427 110 L N 4.369 125.627 121.223 0.057 0.000 2.265 110 L HA 0.713 5.058 4.340 0.008 0.000 0.289 110 L C 0.472 177.408 176.870 0.111 0.000 1.033 110 L CA -0.436 54.457 54.840 0.088 0.000 0.814 110 L CB 1.503 43.631 42.059 0.115 0.000 1.203 110 L HN 0.726 nan 8.230 nan 0.000 0.423 111 A N 5.653 128.537 122.820 0.106 0.000 3.150 111 A HA 0.529 4.854 4.320 0.008 0.000 0.328 111 A C 0.380 178.046 177.584 0.137 0.000 1.104 111 A CA -0.317 51.785 52.037 0.109 0.000 0.937 111 A CB -0.124 18.919 19.000 0.072 0.000 1.073 111 A HN 0.812 nan 8.150 nan 0.000 0.497 112 L N -0.010 121.338 121.223 0.208 0.000 3.017 112 L HA 0.149 4.493 4.340 0.008 0.000 0.255 112 L C 1.305 178.297 176.870 0.203 0.000 1.247 112 L CA 0.003 54.979 54.840 0.226 0.000 1.038 112 L CB 0.236 42.500 42.059 0.342 0.000 1.380 112 L HN 0.609 nan 8.230 nan 0.000 0.548 113 D N 0.851 121.365 120.400 0.191 0.000 2.182 113 D HA -0.223 4.422 4.640 0.008 0.000 0.201 113 D C 1.450 177.783 176.300 0.056 0.000 0.986 113 D CA 1.366 55.467 54.000 0.169 0.000 0.847 113 D CB 0.382 41.275 40.800 0.155 0.000 0.942 113 D HN 0.206 nan 8.370 nan 0.000 0.467 114 D N -0.530 119.892 120.400 0.036 0.000 2.347 114 D HA -0.011 4.634 4.640 0.008 0.000 0.215 114 D C 0.004 176.268 176.300 -0.060 0.000 0.976 114 D CA 0.129 54.125 54.000 -0.007 0.000 0.884 114 D CB 0.281 41.086 40.800 0.009 0.000 0.915 114 D HN 0.090 nan 8.370 nan 0.000 0.526 115 V N 1.670 121.530 119.914 -0.091 0.000 2.439 115 V HA 0.305 4.430 4.120 0.008 0.000 0.271 115 V C 0.615 176.507 176.094 -0.336 0.000 1.040 115 V CA -0.759 61.434 62.300 -0.180 0.000 1.002 115 V CB 0.689 32.419 31.823 -0.155 0.000 1.000 115 V HN 0.061 nan 8.190 nan 0.000 0.477 116 A N 5.718 128.381 122.820 -0.262 0.000 2.331 116 A HA 0.683 5.008 4.320 0.008 0.000 0.283 116 A C -0.365 176.999 177.584 -0.367 0.000 1.142 116 A CA -0.376 51.488 52.037 -0.288 0.000 0.812 116 A CB 0.772 19.667 19.000 -0.176 0.000 1.074 116 A HN 0.665 nan 8.150 nan 0.000 0.497 117 V N 3.474 123.126 119.914 -0.437 0.000 2.384 117 V HA 0.175 4.300 4.120 0.008 0.000 0.287 117 V C 0.302 176.256 176.094 -0.234 0.000 1.020 117 V CA -0.973 61.076 62.300 -0.418 0.000 0.850 117 V CB 1.312 32.728 31.823 -0.679 0.000 0.987 117 V HN 0.964 nan 8.190 nan 0.000 0.436 118 N N 4.239 122.848 118.700 -0.152 0.000 2.359 118 N HA -0.043 4.702 4.740 0.008 0.000 0.261 118 N C 0.870 176.335 175.510 -0.075 0.000 1.267 118 N CA 0.976 53.970 53.050 -0.093 0.000 0.864 118 N CB -0.244 38.206 38.487 -0.062 0.000 1.063 118 N HN 0.735 nan 8.380 nan 0.000 0.474 119 N N 0.791 119.455 118.700 -0.061 0.000 2.713 119 N HA -0.244 4.501 4.740 0.008 0.000 0.251 119 N C -1.293 174.194 175.510 -0.037 0.000 1.117 119 N CA 1.004 54.031 53.050 -0.038 0.000 0.770 119 N CB -0.506 37.970 38.487 -0.018 0.000 1.137 119 N HN 0.625 nan 8.380 nan 0.000 0.566 120 R N 0.521 120.978 120.500 -0.073 0.000 2.621 120 R HA 0.247 4.592 4.340 0.008 0.000 0.292 120 R C -0.638 175.612 176.300 -0.084 0.000 0.969 120 R CA -0.778 55.284 56.100 -0.064 0.000 0.887 120 R CB 1.158 31.401 30.300 -0.094 0.000 1.180 120 R HN 0.215 nan 8.270 nan 0.000 0.450 121 D N 1.613 122.002 120.400 -0.019 0.000 2.400 121 D HA -0.004 4.641 4.640 0.008 0.000 0.238 121 D C 0.862 177.098 176.300 -0.107 0.000 1.157 121 D CA -0.287 53.692 54.000 -0.036 0.000 0.889 121 D CB 0.820 41.648 40.800 0.046 0.000 1.199 121 D HN 0.532 nan 8.370 nan 0.000 0.436 122 A N 1.643 124.322 122.820 -0.234 0.000 2.225 122 A HA -0.180 4.144 4.320 0.008 0.000 0.215 122 A C 1.255 178.593 177.584 -0.409 0.000 1.164 122 A CA 1.106 52.893 52.037 -0.417 0.000 0.710 122 A CB -0.553 18.113 19.000 -0.557 0.000 0.780 122 A HN 0.705 nan 8.150 nan 0.000 0.473 123 H N -4.315 114.877 119.070 0.203 0.000 2.381 123 H HA 0.113 4.674 4.556 0.008 0.000 0.252 123 H C 1.668 177.203 175.328 0.345 0.000 0.920 123 H CA 1.143 57.368 56.048 0.294 0.000 1.100 123 H CB -0.437 29.424 29.762 0.163 0.000 1.435 123 H HN 0.528 nan 8.280 nan 0.000 0.454 124 Y N 1.568 122.014 120.300 0.243 0.000 2.190 124 Y HA 0.157 4.712 4.550 0.008 0.000 0.290 124 Y C 2.610 178.610 175.900 0.166 0.000 1.115 124 Y CA 1.587 59.799 58.100 0.186 0.000 1.107 124 Y CB -0.491 38.045 38.460 0.127 0.000 1.033 124 Y HN 0.132 nan 8.280 nan 0.000 0.502 125 G N 0.498 109.388 108.800 0.151 0.000 2.418 125 G HA2 -0.311 3.654 3.960 0.008 0.000 0.217 125 G HA3 -0.311 3.654 3.960 0.008 0.000 0.217 125 G C 1.692 176.575 174.900 -0.027 0.000 1.158 125 G CA 1.055 46.168 45.100 0.023 0.000 0.771 125 G HN 0.407 nan 8.290 nan 0.000 0.545 126 K N -0.655 119.708 120.400 -0.061 0.000 2.063 126 K HA -0.135 4.190 4.320 0.008 0.000 0.208 126 K C 2.123 178.698 176.600 -0.042 0.000 1.048 126 K CA 1.328 57.503 56.287 -0.187 0.000 0.928 126 K CB -0.324 31.899 32.500 -0.462 0.000 0.713 126 K HN 0.413 nan 8.250 nan 0.000 0.442 127 Y N 0.329 120.692 120.300 0.105 0.000 2.475 127 Y HA 0.082 4.637 4.550 0.008 0.000 0.289 127 Y C 2.313 178.210 175.900 -0.005 0.000 1.121 127 Y CA 0.235 58.400 58.100 0.108 0.000 1.257 127 Y CB 0.152 38.663 38.460 0.086 0.000 1.026 127 Y HN -0.019 nan 8.280 nan 0.000 0.555 128 R N -0.076 120.401 120.500 -0.039 0.000 2.103 128 R HA -0.171 4.174 4.340 0.008 0.000 0.242 128 R C 1.888 178.184 176.300 -0.007 0.000 1.142 128 R CA 1.222 57.255 56.100 -0.113 0.000 0.960 128 R CB -0.851 29.290 30.300 -0.264 0.000 0.858 128 R HN 0.332 nan 8.270 nan 0.000 0.439 129 L N 0.353 121.604 121.223 0.047 0.000 2.072 129 L HA -0.056 4.289 4.340 0.008 0.000 0.205 129 L C 2.475 179.317 176.870 -0.047 0.000 1.079 129 L CA 1.049 55.915 54.840 0.045 0.000 0.752 129 L CB -0.797 41.360 42.059 0.163 0.000 0.906 129 L HN 0.123 nan 8.230 nan 0.000 0.436 130 L N -0.771 120.434 121.223 -0.030 0.000 2.017 130 L HA -0.204 4.141 4.340 0.008 0.000 0.208 130 L C 2.507 179.339 176.870 -0.064 0.000 1.073 130 L CA 1.671 56.395 54.840 -0.193 0.000 0.745 130 L CB -0.328 41.671 42.059 -0.101 0.000 0.894 130 L HN 0.228 nan 8.230 nan 0.000 0.432 131 A N -0.581 122.263 122.820 0.041 0.000 1.898 131 A HA -0.266 4.059 4.320 0.008 0.000 0.216 131 A C 2.241 179.831 177.584 0.009 0.000 1.181 131 A CA 1.746 53.809 52.037 0.043 0.000 0.620 131 A CB -0.686 18.355 19.000 0.070 0.000 0.819 131 A HN 0.639 nan 8.150 nan 0.000 0.442 132 E N -0.721 119.479 120.200 0.000 0.000 2.077 132 E HA -0.160 4.195 4.350 0.008 0.000 0.193 132 E C 1.963 178.550 176.600 -0.021 0.000 0.989 132 E CA 1.643 58.042 56.400 -0.002 0.000 0.800 132 E CB -0.166 29.532 29.700 -0.003 0.000 0.746 132 E HN 0.531 nan 8.360 nan 0.000 0.452 133 T N 1.528 116.048 114.554 -0.057 0.000 2.684 133 T HA -0.181 4.174 4.350 0.008 0.000 0.267 133 T C 1.747 176.412 174.700 -0.058 0.000 1.036 133 T CA 1.205 63.259 62.100 -0.078 0.000 1.148 133 T CB -0.289 68.490 68.868 -0.150 0.000 0.863 133 T HN 0.107 nan 8.240 nan 0.000 0.436 134 L N 0.793 121.981 121.223 -0.059 0.000 2.017 134 L HA 0.031 4.376 4.340 0.008 0.000 0.208 134 L C 2.158 179.029 176.870 0.001 0.000 1.073 134 L CA 1.662 56.481 54.840 -0.034 0.000 0.745 134 L CB -0.712 41.331 42.059 -0.025 0.000 0.894 134 L HN 0.262 nan 8.230 nan 0.000 0.432 135 L N -1.015 120.216 121.223 0.013 0.000 2.072 135 L HA -0.152 4.192 4.340 0.008 0.000 0.205 135 L C 2.245 179.149 176.870 0.058 0.000 1.079 135 L CA 1.463 56.324 54.840 0.036 0.000 0.752 135 L CB -0.679 41.404 42.059 0.040 0.000 0.906 135 L HN 0.294 nan 8.230 nan 0.000 0.436 136 D N 0.217 120.644 120.400 0.044 0.000 2.178 136 D HA -0.137 4.508 4.640 0.008 0.000 0.201 136 D C 2.137 178.488 176.300 0.084 0.000 0.980 136 D CA 1.168 55.203 54.000 0.058 0.000 0.842 136 D CB 0.019 40.826 40.800 0.010 0.000 0.948 136 D HN 0.209 nan 8.370 nan 0.000 0.472 137 G N -0.208 108.622 108.800 0.051 0.000 2.509 137 G HA2 -0.191 3.774 3.960 0.008 0.000 0.218 137 G HA3 -0.191 3.774 3.960 0.008 0.000 0.218 137 G C 1.399 176.347 174.900 0.081 0.000 1.124 137 G CA 0.215 45.348 45.100 0.055 0.000 0.776 137 G HN 0.197 nan 8.290 nan 0.000 0.547 138 E N -0.381 119.871 120.200 0.086 0.000 2.418 138 E HA -0.034 4.321 4.350 0.008 0.000 0.197 138 E C 0.241 176.905 176.600 0.106 0.000 1.026 138 E CA -0.387 56.059 56.400 0.076 0.000 0.862 138 E CB -0.215 29.521 29.700 0.059 0.000 0.799 138 E HN 0.546 nan 8.360 nan 0.000 0.518 139 Y N 1.172 121.496 120.300 0.041 0.000 2.810 139 Y HA -0.026 4.529 4.550 0.008 0.000 0.332 139 Y C -0.206 175.743 175.900 0.081 0.000 1.243 139 Y CA 0.281 58.420 58.100 0.066 0.000 1.537 139 Y CB 0.380 38.881 38.460 0.068 0.000 1.265 139 Y HN -0.342 nan 8.280 nan 0.000 0.572 140 V N 8.182 127.757 119.914 -0.564 0.000 2.709 140 V HA 0.283 4.408 4.120 0.008 0.000 0.308 140 V C -1.264 174.524 176.094 -0.510 0.000 1.062 140 V CA -1.014 61.063 62.300 -0.372 0.000 0.901 140 V CB 1.760 33.480 31.823 -0.173 0.000 1.003 140 V HN 0.612 nan 8.190 nan 0.000 0.425 141 F N 5.086 124.819 119.950 -0.363 0.000 2.564 141 F HA 0.473 5.005 4.527 0.008 0.000 0.361 141 F C 0.437 176.212 175.800 -0.041 0.000 1.161 141 F CA -0.951 56.947 58.000 -0.171 0.000 1.198 141 F CB 0.845 39.880 39.000 0.058 0.000 1.424 141 F HN 0.649 nan 8.300 nan 0.000 0.517 142 D N 1.735 121.952 120.400 -0.305 0.000 2.440 142 D HA 0.068 4.713 4.640 0.008 0.000 0.216 142 D C 1.849 177.936 176.300 -0.355 0.000 1.150 142 D CA -0.163 53.702 54.000 -0.226 0.000 0.832 142 D CB -0.257 40.465 40.800 -0.131 0.000 0.992 142 D HN 0.470 nan 8.370 nan 0.000 0.502 143 R N -0.040 120.065 120.500 -0.659 0.000 2.165 143 R HA -0.188 4.157 4.340 0.008 0.000 0.254 143 R C 0.579 176.402 176.300 -0.794 0.000 1.153 143 R CA 1.760 57.357 56.100 -0.838 0.000 0.971 143 R CB -0.309 29.181 30.300 -1.349 0.000 0.878 143 R HN 0.184 nan 8.270 nan 0.000 0.449 144 F N 0.197 119.978 119.950 -0.282 0.000 2.664 144 F HA 0.273 4.805 4.527 0.008 0.000 0.303 144 F C 0.188 175.928 175.800 -0.100 0.000 1.092 144 F CA -0.202 57.708 58.000 -0.151 0.000 1.305 144 F CB 0.472 39.412 39.000 -0.100 0.000 1.054 144 F HN -0.321 nan 8.300 nan 0.000 0.565 145 K N 0.310 120.702 120.400 -0.012 0.000 2.201 145 K HA 0.277 4.602 4.320 0.008 0.000 0.278 145 K C 1.037 177.616 176.600 -0.034 0.000 1.027 145 K CA -0.021 56.262 56.287 -0.006 0.000 0.909 145 K CB 1.649 34.138 32.500 -0.019 0.000 1.062 145 K HN -0.044 nan 8.250 nan 0.000 0.465 146 S N 1.751 117.442 115.700 -0.015 0.000 2.383 146 S HA -0.161 4.314 4.470 0.008 0.000 0.227 146 S C 0.694 175.277 174.600 -0.029 0.000 1.026 146 S CA 0.973 59.159 58.200 -0.024 0.000 0.981 146 S CB -0.013 63.180 63.200 -0.012 0.000 0.818 146 S HN 0.644 nan 8.310 nan 0.000 0.472 147 Q N 1.898 121.685 119.800 -0.022 0.000 2.377 147 Q HA 0.332 4.677 4.340 0.008 0.000 0.249 147 Q C -0.855 175.126 176.000 -0.031 0.000 1.005 147 Q CA -0.701 55.088 55.803 -0.023 0.000 0.912 147 Q CB 0.636 29.366 28.738 -0.013 0.000 1.223 147 Q HN -0.116 nan 8.270 nan 0.000 0.459 148 K N 2.122 122.496 120.400 -0.042 0.000 2.202 148 K HA 0.212 4.537 4.320 0.008 0.000 0.264 148 K C -0.236 176.340 176.600 -0.041 0.000 1.010 148 K CA -0.691 55.564 56.287 -0.054 0.000 0.940 148 K CB 1.157 33.617 32.500 -0.066 0.000 0.983 148 K HN 0.528 nan 8.250 nan 0.000 0.475 149 V N 2.562 122.450 119.914 -0.044 0.000 2.458 149 V HA -0.016 4.109 4.120 0.008 0.000 0.287 149 V C 1.094 177.167 176.094 -0.035 0.000 1.009 149 V CA 0.138 62.418 62.300 -0.034 0.000 1.091 149 V CB -0.677 31.124 31.823 -0.037 0.000 0.960 149 V HN 0.788 nan 8.190 nan 0.000 0.476 150 E N 7.271 127.455 120.200 -0.026 0.000 2.480 150 E HA 0.256 4.610 4.350 0.008 0.000 0.258 150 E C -1.954 174.632 176.600 -0.023 0.000 0.984 150 E CA -1.284 55.102 56.400 -0.024 0.000 0.930 150 E CB -0.536 29.154 29.700 -0.017 0.000 0.936 150 E HN 0.740 nan 8.360 nan 0.000 0.466 151 P HA 0.171 nan 4.420 nan 0.000 0.268 151 P C -0.242 177.048 177.300 -0.017 0.000 1.208 151 P CA -0.166 62.920 63.100 -0.024 0.000 0.777 151 P CB 0.542 32.227 31.700 -0.024 0.000 0.875 152 R N 0.928 121.420 120.500 -0.014 0.000 2.500 152 R HA 0.432 4.777 4.340 0.008 0.000 0.275 152 R C 1.363 177.659 176.300 -0.008 0.000 1.051 152 R CA -0.282 55.813 56.100 -0.009 0.000 1.088 152 R CB 0.570 30.866 30.300 -0.006 0.000 1.063 152 R HN 0.482 nan 8.270 nan 0.000 0.511 153 A N 2.774 125.590 122.820 -0.006 0.000 1.969 153 A HA -0.069 4.255 4.320 0.008 0.000 0.218 153 A C 0.785 178.367 177.584 -0.003 0.000 1.169 153 A CA 0.613 52.648 52.037 -0.005 0.000 0.635 153 A CB -0.211 18.787 19.000 -0.004 0.000 0.810 153 A HN 0.477 nan 8.150 nan 0.000 0.445 154 L N 0.568 121.790 121.223 -0.002 0.000 2.456 154 L HA 0.181 4.526 4.340 0.008 0.000 0.277 154 L C 0.666 177.536 176.870 0.001 0.000 1.124 154 L CA 0.261 55.101 54.840 0.000 0.000 0.880 154 L CB 0.416 42.476 42.059 0.001 0.000 1.192 154 L HN 0.066 nan 8.230 nan 0.000 0.463 155 K N 4.087 124.487 120.400 0.001 0.000 2.391 155 K HA 0.228 4.553 4.320 0.008 0.000 0.197 155 K C -0.009 176.593 176.600 0.003 0.000 1.087 155 K CA 0.202 56.489 56.287 0.001 0.000 1.012 155 K CB 0.527 33.027 32.500 -0.001 0.000 0.925 155 K HN 0.502 nan 8.250 nan 0.000 0.547 156 K N 0.897 121.300 120.400 0.004 0.000 2.543 156 K HA 0.322 4.647 4.320 0.008 0.000 0.255 156 K C -1.680 174.924 176.600 0.007 0.000 0.934 156 K CA -0.403 55.888 56.287 0.005 0.000 0.810 156 K CB 2.320 34.822 32.500 0.003 0.000 1.315 156 K HN -0.258 nan 8.250 nan 0.000 0.433 157 V N 2.421 122.340 119.914 0.009 0.000 2.588 157 V HA 0.415 4.540 4.120 0.008 0.000 0.304 157 V C -0.569 175.532 176.094 0.011 0.000 1.042 157 V CA -0.650 61.658 62.300 0.013 0.000 0.877 157 V CB 2.102 33.935 31.823 0.017 0.000 0.996 157 V HN 0.838 nan 8.190 nan 0.000 0.425 158 T N 6.173 120.734 114.554 0.012 0.000 2.771 158 T HA 0.621 4.975 4.350 0.008 0.000 0.281 158 T C -0.363 174.345 174.700 0.013 0.000 0.982 158 T CA -0.306 61.797 62.100 0.006 0.000 0.978 158 T CB 0.816 69.686 68.868 0.003 0.000 0.930 158 T HN 0.353 nan 8.240 nan 0.000 0.447 159 L N 4.040 125.259 121.223 -0.006 0.000 2.275 159 L HA 0.518 4.863 4.340 0.008 0.000 0.288 159 L C -0.267 176.576 176.870 -0.045 0.000 1.046 159 L CA -0.832 54.000 54.840 -0.014 0.000 0.805 159 L CB 0.848 42.851 42.059 -0.093 0.000 1.193 159 L HN 0.373 nan 8.230 nan 0.000 0.426 160 L N 3.504 124.727 121.223 -0.000 0.000 2.289 160 L HA 0.786 5.131 4.340 0.008 0.000 0.285 160 L C 0.141 177.008 176.870 -0.006 0.000 1.049 160 L CA -0.212 54.626 54.840 -0.004 0.000 0.804 160 L CB 1.574 43.649 42.059 0.028 0.000 1.195 160 L HN 0.765 nan 8.230 nan 0.000 0.428 161 A N 1.911 124.710 122.820 -0.035 0.000 2.532 161 A HA 0.638 4.963 4.320 0.008 0.000 0.290 161 A C -1.406 176.172 177.584 -0.010 0.000 1.143 161 A CA -0.767 51.269 52.037 -0.002 0.000 0.728 161 A CB 1.487 20.440 19.000 -0.079 0.000 1.317 161 A HN 0.743 nan 8.150 nan 0.000 0.414 162 D N 0.200 120.610 120.400 0.016 0.000 2.357 162 D HA 0.213 4.858 4.640 0.008 0.000 0.242 162 D C 0.728 176.979 176.300 -0.082 0.000 1.153 162 D CA -0.176 53.816 54.000 -0.015 0.000 0.918 162 D CB 0.541 41.357 40.800 0.027 0.000 1.181 162 D HN 0.496 nan 8.370 nan 0.000 0.435 163 K N 0.730 121.095 120.400 -0.058 0.000 2.059 163 K HA -0.235 4.090 4.320 0.008 0.000 0.212 163 K C 2.031 178.573 176.600 -0.097 0.000 1.050 163 K CA 1.804 58.051 56.287 -0.066 0.000 0.927 163 K CB -0.453 32.023 32.500 -0.040 0.000 0.714 163 K HN 0.558 nan 8.250 nan 0.000 0.447 164 A N 0.867 123.627 122.820 -0.099 0.000 2.019 164 A HA -0.063 4.262 4.320 0.008 0.000 0.219 164 A C 2.223 179.674 177.584 -0.220 0.000 1.164 164 A CA 1.755 53.727 52.037 -0.109 0.000 0.644 164 A CB -0.589 18.378 19.000 -0.055 0.000 0.805 164 A HN 0.453 nan 8.150 nan 0.000 0.449 165 G N -1.555 106.983 108.800 -0.437 0.000 3.088 165 G HA2 0.088 4.053 3.960 0.008 0.000 0.217 165 G HA3 0.088 4.053 3.960 0.008 0.000 0.217 165 G C 1.283 175.907 174.900 -0.460 0.000 1.159 165 G CA 0.648 45.205 45.100 -0.905 0.000 0.760 165 G HN 0.580 nan 8.290 nan 0.000 0.550 166 Q N 0.434 120.076 119.800 -0.265 0.000 2.050 166 Q HA -0.069 4.276 4.340 0.008 0.000 0.202 166 Q C 2.716 178.648 176.000 -0.112 0.000 0.980 166 Q CA 1.711 57.414 55.803 -0.166 0.000 0.840 166 Q CB -0.231 28.438 28.738 -0.115 0.000 0.898 166 Q HN 0.367 nan 8.270 nan 0.000 0.424 167 A N 0.696 123.462 122.820 -0.090 0.000 1.933 167 A HA -0.197 4.128 4.320 0.008 0.000 0.218 167 A C 1.912 179.484 177.584 -0.019 0.000 1.175 167 A CA 1.568 53.575 52.037 -0.051 0.000 0.628 167 A CB -0.482 18.492 19.000 -0.044 0.000 0.814 167 A HN 0.395 nan 8.150 nan 0.000 0.444 168 E N -0.184 120.014 120.200 -0.003 0.000 2.107 168 E HA -0.082 4.273 4.350 0.008 0.000 0.191 168 E C 2.216 178.920 176.600 0.173 0.000 0.982 168 E CA 1.199 57.668 56.400 0.114 0.000 0.809 168 E CB -0.422 29.381 29.700 0.171 0.000 0.756 168 E HN 0.410 nan 8.360 nan 0.000 0.459 169 V N 1.548 121.497 119.914 0.058 0.000 2.343 169 V HA -0.234 3.891 4.120 0.008 0.000 0.247 169 V C 2.140 178.217 176.094 -0.028 0.000 1.051 169 V CA 1.750 64.036 62.300 -0.023 0.000 1.036 169 V CB -0.478 31.184 31.823 -0.268 0.000 0.654 169 V HN 0.233 nan 8.190 nan 0.000 0.451 170 E N -0.147 120.031 120.200 -0.037 0.000 2.110 170 E HA -0.249 4.106 4.350 0.008 0.000 0.193 170 E C 2.436 179.018 176.600 -0.029 0.000 0.988 170 E CA 1.211 57.590 56.400 -0.036 0.000 0.804 170 E CB -0.177 29.500 29.700 -0.039 0.000 0.745 170 E HN 0.453 nan 8.360 nan 0.000 0.458 171 R N 0.516 121.014 120.500 -0.003 0.000 2.092 171 R HA -0.097 4.248 4.340 0.008 0.000 0.231 171 R C 2.249 178.513 176.300 -0.061 0.000 1.119 171 R CA 1.144 57.204 56.100 -0.066 0.000 0.970 171 R CB -0.133 30.162 30.300 -0.008 0.000 0.864 171 R HN 0.128 nan 8.270 nan 0.000 0.440 172 A N 0.199 123.070 122.820 0.085 0.000 1.877 172 A HA -0.122 4.202 4.320 0.008 0.000 0.216 172 A C 2.225 179.782 177.584 -0.045 0.000 1.186 172 A CA 1.643 53.600 52.037 -0.133 0.000 0.620 172 A CB -0.613 18.295 19.000 -0.153 0.000 0.822 172 A HN 0.221 nan 8.150 nan 0.000 0.443 173 V N 0.331 120.240 119.914 -0.009 0.000 2.343 173 V HA -0.274 3.851 4.120 0.008 0.000 0.247 173 V C 2.544 178.649 176.094 0.018 0.000 1.051 173 V CA 2.375 64.682 62.300 0.010 0.000 1.036 173 V CB -0.650 31.174 31.823 0.002 0.000 0.654 173 V HN 0.688 nan 8.190 nan 0.000 0.451 174 K N -0.473 119.919 120.400 -0.013 0.000 2.026 174 K HA -0.222 4.103 4.320 0.008 0.000 0.208 174 K C 2.131 178.807 176.600 0.127 0.000 1.048 174 K CA 2.089 58.387 56.287 0.018 0.000 0.929 174 K CB -0.275 32.197 32.500 -0.048 0.000 0.713 174 K HN 0.657 nan 8.250 nan 0.000 0.439 175 H N -0.830 118.291 119.070 0.084 0.000 2.326 175 H HA -0.032 4.529 4.556 0.008 0.000 0.301 175 H C 2.099 177.451 175.328 0.041 0.000 1.081 175 H CA 0.661 56.756 56.048 0.078 0.000 1.334 175 H CB 0.047 29.891 29.762 0.138 0.000 1.385 175 H HN 0.374 nan 8.280 nan 0.000 0.504 176 A N 0.611 123.516 122.820 0.141 0.000 1.940 176 A HA -0.195 4.130 4.320 0.008 0.000 0.219 176 A C 2.450 180.076 177.584 0.069 0.000 1.176 176 A CA 1.813 53.894 52.037 0.075 0.000 0.631 176 A CB -0.562 18.462 19.000 0.040 0.000 0.814 176 A HN 0.289 nan 8.150 nan 0.000 0.446 177 S N -0.293 115.451 115.700 0.073 0.000 2.368 177 S HA -0.008 4.467 4.470 0.008 0.000 0.224 177 S C 2.312 176.953 174.600 0.067 0.000 1.029 177 S CA 1.131 59.368 58.200 0.062 0.000 0.988 177 S CB -0.423 62.810 63.200 0.055 0.000 0.838 177 S HN 0.800 nan 8.310 nan 0.000 0.462 178 A N 1.441 124.310 122.820 0.082 0.000 1.873 178 A HA -0.011 4.314 4.320 0.008 0.000 0.215 178 A C 2.069 179.688 177.584 0.059 0.000 1.186 178 A CA 1.116 53.194 52.037 0.069 0.000 0.616 178 A CB -0.702 18.343 19.000 0.075 0.000 0.823 178 A HN 0.466 nan 8.150 nan 0.000 0.442 179 I N -0.195 120.411 120.570 0.060 0.000 2.179 179 I HA -0.295 3.880 4.170 0.008 0.000 0.242 179 I C 2.956 179.103 176.117 0.050 0.000 1.088 179 I CA 1.158 62.486 61.300 0.046 0.000 1.357 179 I CB -0.304 37.720 38.000 0.040 0.000 1.051 179 I HN 0.360 nan 8.210 nan 0.000 0.409 180 A N 0.025 122.877 122.820 0.052 0.000 1.930 180 A HA -0.180 4.145 4.320 0.008 0.000 0.217 180 A C 2.364 179.995 177.584 0.079 0.000 1.175 180 A CA 2.262 54.332 52.037 0.055 0.000 0.627 180 A CB -0.981 18.051 19.000 0.053 0.000 0.815 180 A HN 0.377 nan 8.150 nan 0.000 0.443 181 T N -0.300 114.302 114.554 0.080 0.000 2.777 181 T HA -0.030 4.325 4.350 0.008 0.000 0.266 181 T C 1.967 176.744 174.700 0.127 0.000 1.040 181 T CA 1.427 63.583 62.100 0.092 0.000 1.141 181 T CB -0.549 68.358 68.868 0.065 0.000 0.868 181 T HN 0.578 nan 8.240 nan 0.000 0.444 182 G N 1.167 110.038 108.800 0.118 0.000 2.418 182 G HA2 -0.183 3.782 3.960 0.008 0.000 0.217 182 G HA3 -0.183 3.782 3.960 0.008 0.000 0.217 182 G C 1.567 176.562 174.900 0.159 0.000 1.158 182 G CA 0.641 45.840 45.100 0.166 0.000 0.771 182 G HN 0.405 nan 8.290 nan 0.000 0.545 183 M N 0.855 120.506 119.600 0.087 0.000 2.149 183 M HA -0.028 4.457 4.480 0.008 0.000 0.261 183 M C 3.006 179.323 176.300 0.028 0.000 1.064 183 M CA 1.370 56.687 55.300 0.029 0.000 1.102 183 M CB -0.206 32.386 32.600 -0.013 0.000 1.369 183 M HN 0.320 nan 8.290 nan 0.000 0.408 184 A N 0.050 122.941 122.820 0.117 0.000 1.933 184 A HA -0.180 4.144 4.320 0.008 0.000 0.218 184 A C 1.972 179.753 177.584 0.328 0.000 1.175 184 A CA 1.269 53.444 52.037 0.232 0.000 0.628 184 A CB -0.850 18.344 19.000 0.323 0.000 0.814 184 A HN 0.489 nan 8.150 nan 0.000 0.444 185 F N 1.605 121.613 119.950 0.097 0.000 2.084 185 F HA -0.110 4.422 4.527 0.008 0.000 0.296 185 F C 2.474 178.303 175.800 0.049 0.000 1.111 185 F CA 2.052 60.095 58.000 0.071 0.000 1.224 185 F CB -1.168 37.857 39.000 0.042 0.000 0.991 185 F HN 0.229 nan 8.300 nan 0.000 0.471 186 T N 1.135 115.713 114.554 0.039 0.000 2.665 186 T HA -0.245 4.110 4.350 0.008 0.000 0.268 186 T C 2.141 176.808 174.700 -0.054 0.000 1.035 186 T CA 2.026 64.080 62.100 -0.076 0.000 1.151 186 T CB -0.300 68.547 68.868 -0.035 0.000 0.862 186 T HN 0.255 nan 8.240 nan 0.000 0.438 187 R N 0.717 121.173 120.500 -0.074 0.000 2.092 187 R HA -0.066 4.279 4.340 0.008 0.000 0.231 187 R C 2.299 178.572 176.300 -0.045 0.000 1.119 187 R CA 1.406 57.402 56.100 -0.174 0.000 0.970 187 R CB -0.271 29.666 30.300 -0.606 0.000 0.864 187 R HN 0.351 nan 8.270 nan 0.000 0.440 188 D N 0.807 121.308 120.400 0.168 0.000 2.097 188 D HA -0.135 4.510 4.640 0.008 0.000 0.195 188 D C 1.986 178.352 176.300 0.109 0.000 0.989 188 D CA 1.105 55.257 54.000 0.254 0.000 0.827 188 D CB -0.177 40.893 40.800 0.450 0.000 0.966 188 D HN 0.151 nan 8.370 nan 0.000 0.456 189 L N 0.425 121.686 121.223 0.063 0.000 2.046 189 L HA -0.069 4.276 4.340 0.008 0.000 0.208 189 L C 2.590 179.449 176.870 -0.019 0.000 1.077 189 L CA 1.392 56.245 54.840 0.021 0.000 0.747 189 L CB -0.794 41.191 42.059 -0.124 0.000 0.896 189 L HN 0.089 nan 8.230 nan 0.000 0.432 190 G N -0.016 108.774 108.800 -0.018 0.000 2.446 190 G HA2 -0.262 3.703 3.960 0.008 0.000 0.217 190 G HA3 -0.262 3.703 3.960 0.008 0.000 0.217 190 G C 1.375 176.214 174.900 -0.101 0.000 1.168 190 G CA 0.742 45.866 45.100 0.041 0.000 0.771 190 G HN 0.320 nan 8.290 nan 0.000 0.551 191 N N 0.181 118.778 118.700 -0.173 0.000 2.409 191 N HA 0.060 4.805 4.740 0.008 0.000 0.179 191 N C 0.949 176.247 175.510 -0.354 0.000 1.032 191 N CA -0.014 52.792 53.050 -0.406 0.000 0.898 191 N CB -0.068 37.799 38.487 -1.034 0.000 0.971 191 N HN 0.264 nan 8.380 nan 0.000 0.441 192 L N 2.662 123.799 121.223 -0.145 0.000 2.490 192 L HA 0.085 4.430 4.340 0.008 0.000 0.274 192 L C -1.876 174.901 176.870 -0.155 0.000 1.201 192 L CA -1.312 53.572 54.840 0.073 0.000 0.869 192 L CB 0.157 42.240 42.059 0.040 0.000 1.123 192 L HN -0.008 nan 8.230 nan 0.000 0.484 193 P HA 0.157 nan 4.420 nan 0.000 0.274 193 P C -2.322 174.820 177.300 -0.263 0.000 1.237 193 P CA -1.677 61.240 63.100 -0.305 0.000 0.793 193 P CB 0.216 31.664 31.700 -0.420 0.000 0.977 194 P HA -0.091 nan 4.420 nan 0.000 0.229 194 P C 0.772 177.984 177.300 -0.146 0.000 1.160 194 P CA 1.026 64.025 63.100 -0.168 0.000 0.777 194 P CB -0.210 31.397 31.700 -0.155 0.000 0.814 195 N N 0.322 118.911 118.700 -0.184 0.000 2.459 195 N HA -0.069 4.675 4.740 0.008 0.000 0.181 195 N C 1.571 177.034 175.510 -0.080 0.000 1.046 195 N CA 0.870 53.859 53.050 -0.103 0.000 0.904 195 N CB -0.984 37.427 38.487 -0.125 0.000 0.964 195 N HN 0.268 nan 8.380 nan 0.000 0.444 196 L N -0.484 120.604 121.223 -0.226 0.000 2.445 196 L HA 0.220 4.565 4.340 0.008 0.000 0.207 196 L C 0.701 177.086 176.870 -0.808 0.000 1.053 196 L CA 0.001 54.598 54.840 -0.405 0.000 0.841 196 L CB 0.126 41.988 42.059 -0.328 0.000 1.074 196 L HN 0.111 nan 8.230 nan 0.000 0.479 197 C N 2.260 121.196 119.300 -0.606 0.000 2.145 197 C HA 0.357 4.822 4.460 0.008 0.000 0.374 197 C C 0.387 175.292 174.990 -0.142 0.000 1.035 197 C CA -0.665 58.066 59.018 -0.479 0.000 1.431 197 C CB -2.227 25.348 27.740 -0.275 0.000 1.789 197 C HN 0.414 nan 8.230 nan 0.000 0.483 198 H N 3.343 122.478 119.070 0.108 0.000 2.771 198 H HA 0.611 5.172 4.556 0.008 0.000 0.344 198 H C -2.409 173.033 175.328 0.189 0.000 1.260 198 H CA -2.635 53.486 56.048 0.120 0.000 1.276 198 H CB -0.507 29.300 29.762 0.075 0.000 1.881 198 H HN -0.076 nan 8.280 nan 0.000 0.615 199 P HA -0.110 nan 4.420 nan 0.000 0.217 199 P C 1.197 178.678 177.300 0.301 0.000 1.150 199 P CA 1.875 65.140 63.100 0.276 0.000 0.832 199 P CB 0.065 31.879 31.700 0.190 0.000 0.787 200 S N -1.057 114.861 115.700 0.363 0.000 2.382 200 S HA -0.148 4.327 4.470 0.008 0.000 0.228 200 S C 1.642 176.450 174.600 0.347 0.000 1.027 200 S CA 0.823 59.200 58.200 0.295 0.000 0.991 200 S CB -1.107 62.208 63.200 0.193 0.000 0.823 200 S HN 0.125 nan 8.310 nan 0.000 0.469 201 F N 2.513 122.652 119.950 0.316 0.000 2.126 201 F HA -0.078 4.453 4.527 0.008 0.000 0.299 201 F C 1.740 177.595 175.800 0.092 0.000 1.096 201 F CA 1.287 59.329 58.000 0.070 0.000 1.255 201 F CB -0.391 38.459 39.000 -0.249 0.000 0.997 201 F HN 0.090 nan 8.300 nan 0.000 0.479 202 L N -0.084 121.217 121.223 0.129 0.000 2.131 202 L HA -0.184 4.161 4.340 0.008 0.000 0.210 202 L C 2.782 179.739 176.870 0.146 0.000 1.092 202 L CA 1.042 55.948 54.840 0.110 0.000 0.759 202 L CB -1.234 41.005 42.059 0.300 0.000 0.903 202 L HN 0.282 nan 8.230 nan 0.000 0.435 203 A N -0.362 122.535 122.820 0.129 0.000 1.930 203 A HA -0.161 4.164 4.320 0.008 0.000 0.217 203 A C 2.212 179.836 177.584 0.066 0.000 1.175 203 A CA 1.247 53.353 52.037 0.115 0.000 0.627 203 A CB -0.251 18.811 19.000 0.104 0.000 0.815 203 A HN 0.305 nan 8.150 nan 0.000 0.443 204 E N 0.037 120.231 120.200 -0.009 0.000 2.106 204 E HA -0.164 4.191 4.350 0.008 0.000 0.192 204 E C 2.184 178.724 176.600 -0.100 0.000 0.984 204 E CA 0.960 57.329 56.400 -0.052 0.000 0.806 204 E CB -0.381 29.276 29.700 -0.072 0.000 0.750 204 E HN 0.595 nan 8.360 nan 0.000 0.458 205 Q N 0.239 119.894 119.800 -0.242 0.000 2.096 205 Q HA -0.106 4.239 4.340 0.008 0.000 0.204 205 Q C 2.111 178.170 176.000 0.100 0.000 0.982 205 Q CA 1.480 57.167 55.803 -0.193 0.000 0.850 205 Q CB -0.397 28.076 28.738 -0.441 0.000 0.901 205 Q HN 0.253 nan 8.270 nan 0.000 0.422 206 A N 1.146 124.128 122.820 0.271 0.000 1.898 206 A HA -0.171 4.154 4.320 0.008 0.000 0.216 206 A C 2.112 179.818 177.584 0.203 0.000 1.181 206 A CA 1.495 53.758 52.037 0.377 0.000 0.620 206 A CB -0.299 18.876 19.000 0.291 0.000 0.819 206 A HN 0.251 nan 8.150 nan 0.000 0.442 207 K N -0.116 120.361 120.400 0.127 0.000 2.057 207 K HA -0.158 4.167 4.320 0.008 0.000 0.207 207 K C 1.973 178.623 176.600 0.083 0.000 1.049 207 K CA 1.674 58.016 56.287 0.092 0.000 0.931 207 K CB -0.170 32.369 32.500 0.064 0.000 0.714 207 K HN 0.615 nan 8.250 nan 0.000 0.440 208 E N 0.524 120.762 120.200 0.065 0.000 2.077 208 E HA -0.210 4.145 4.350 0.008 0.000 0.193 208 E C 1.966 178.614 176.600 0.080 0.000 0.989 208 E CA 0.919 57.346 56.400 0.045 0.000 0.800 208 E CB -0.061 29.643 29.700 0.006 0.000 0.746 208 E HN 0.106 nan 8.360 nan 0.000 0.452 209 L N 0.539 121.845 121.223 0.138 0.000 2.046 209 L HA -0.066 4.278 4.340 0.008 0.000 0.208 209 L C 2.204 179.224 176.870 0.250 0.000 1.077 209 L CA 2.016 56.986 54.840 0.216 0.000 0.747 209 L CB -0.762 41.467 42.059 0.283 0.000 0.896 209 L HN 0.108 nan 8.230 nan 0.000 0.432 210 G N -0.926 107.985 108.800 0.185 0.000 2.418 210 G HA2 -0.266 3.699 3.960 0.008 0.000 0.217 210 G HA3 -0.266 3.699 3.960 0.008 0.000 0.217 210 G C 1.667 176.644 174.900 0.128 0.000 1.158 210 G CA 0.771 45.967 45.100 0.160 0.000 0.771 210 G HN 0.391 nan 8.290 nan 0.000 0.545 211 K N 0.523 120.977 120.400 0.090 0.000 2.211 211 K HA 0.082 4.407 4.320 0.008 0.000 0.203 211 K C 2.642 179.249 176.600 0.012 0.000 1.050 211 K CA 0.854 57.170 56.287 0.048 0.000 0.945 211 K CB -0.078 32.441 32.500 0.031 0.000 0.732 211 K HN 0.298 nan 8.250 nan 0.000 0.451 212 A N 0.807 123.623 122.820 -0.006 0.000 2.208 212 A HA -0.020 4.304 4.320 0.008 0.000 0.209 212 A C 0.079 177.402 177.584 -0.434 0.000 1.161 212 A CA 0.382 52.303 52.037 -0.193 0.000 0.782 212 A CB 0.001 18.868 19.000 -0.223 0.000 0.816 212 A HN 0.203 nan 8.150 nan 0.000 0.477 213 H N -0.915 118.186 119.070 0.052 0.000 3.013 213 H HA 0.182 4.743 4.556 0.008 0.000 0.326 213 H C 0.417 175.795 175.328 0.084 0.000 0.973 213 H CA -0.299 55.793 56.048 0.074 0.000 1.369 213 H CB 1.635 31.454 29.762 0.096 0.000 1.598 213 H HN 0.334 nan 8.280 nan 0.000 0.518 214 K N 2.850 123.339 120.400 0.149 0.000 2.063 214 K HA -0.088 4.237 4.320 0.008 0.000 0.208 214 K C 1.518 178.190 176.600 0.119 0.000 1.048 214 K CA 1.586 57.939 56.287 0.110 0.000 0.928 214 K CB 0.118 32.664 32.500 0.076 0.000 0.713 214 K HN 0.528 nan 8.250 nan 0.000 0.442 215 A N 0.622 123.537 122.820 0.159 0.000 2.259 215 A HA 0.148 4.473 4.320 0.008 0.000 0.208 215 A C 0.224 177.895 177.584 0.146 0.000 1.201 215 A CA -0.137 51.959 52.037 0.098 0.000 0.824 215 A CB -0.054 18.966 19.000 0.033 0.000 0.838 215 A HN 0.279 nan 8.150 nan 0.000 0.485 216 L N 0.034 121.382 121.223 0.208 0.000 2.296 216 L HA 0.656 5.001 4.340 0.008 0.000 0.286 216 L C -0.492 176.463 176.870 0.141 0.000 1.023 216 L CA -0.592 54.369 54.840 0.202 0.000 0.812 216 L CB 1.570 43.764 42.059 0.225 0.000 1.223 216 L HN 0.065 nan 8.230 nan 0.000 0.421 217 K N 3.787 124.257 120.400 0.116 0.000 2.292 217 K HA 0.725 5.050 4.320 0.008 0.000 0.257 217 K C -1.842 174.818 176.600 0.099 0.000 0.940 217 K CA -0.481 55.865 56.287 0.099 0.000 0.811 217 K CB 1.723 34.276 32.500 0.088 0.000 1.120 217 K HN 0.364 nan 8.250 nan 0.000 0.428 218 V N 3.744 123.715 119.914 0.096 0.000 2.495 218 V HA 0.486 4.611 4.120 0.008 0.000 0.298 218 V C -0.682 175.464 176.094 0.086 0.000 1.031 218 V CA -0.748 61.606 62.300 0.090 0.000 0.871 218 V CB 1.528 33.410 31.823 0.098 0.000 0.988 218 V HN 0.873 nan 8.190 nan 0.000 0.432 219 E N 3.100 123.352 120.200 0.086 0.000 2.248 219 E HA 0.706 5.061 4.350 0.008 0.000 0.267 219 E C -1.912 174.726 176.600 0.064 0.000 0.877 219 E CA -0.526 55.924 56.400 0.084 0.000 0.759 219 E CB 2.399 32.168 29.700 0.114 0.000 1.182 219 E HN 0.449 nan 8.360 nan 0.000 0.418 220 V N 4.949 124.894 119.914 0.051 0.000 2.444 220 V HA 0.342 4.467 4.120 0.008 0.000 0.294 220 V C -0.867 175.235 176.094 0.013 0.000 1.022 220 V CA -0.821 61.499 62.300 0.034 0.000 0.850 220 V CB 1.280 33.130 31.823 0.045 0.000 0.992 220 V HN 0.569 nan 8.190 nan 0.000 0.426 221 L N 5.748 126.956 121.223 -0.024 0.000 2.272 221 L HA 0.506 4.851 4.340 0.008 0.000 0.289 221 L C 0.301 177.128 176.870 -0.072 0.000 1.032 221 L CA -0.211 54.595 54.840 -0.057 0.000 0.810 221 L CB 1.044 43.027 42.059 -0.126 0.000 1.205 221 L HN 0.792 nan 8.230 nan 0.000 0.422 222 D N 1.077 121.450 120.400 -0.046 0.000 2.478 222 D HA 0.037 4.682 4.640 0.008 0.000 0.274 222 D C 0.859 177.121 176.300 -0.063 0.000 1.234 222 D CA -0.441 53.536 54.000 -0.039 0.000 1.069 222 D CB 0.536 41.331 40.800 -0.007 0.000 1.113 222 D HN 0.590 nan 8.370 nan 0.000 0.571 223 E N -0.603 119.581 120.200 -0.027 0.000 2.110 223 E HA -0.238 4.117 4.350 0.008 0.000 0.193 223 E C 1.803 178.437 176.600 0.056 0.000 0.988 223 E CA 0.947 57.355 56.400 0.013 0.000 0.804 223 E CB 0.034 29.766 29.700 0.053 0.000 0.745 223 E HN 0.469 nan 8.360 nan 0.000 0.458 224 K N 0.698 121.116 120.400 0.030 0.000 2.057 224 K HA -0.233 4.092 4.320 0.008 0.000 0.207 224 K C 2.190 178.774 176.600 -0.027 0.000 1.049 224 K CA 1.636 57.926 56.287 0.006 0.000 0.931 224 K CB -0.036 32.466 32.500 0.004 0.000 0.714 224 K HN -0.126 nan 8.250 nan 0.000 0.440 225 K N 1.308 121.688 120.400 -0.033 0.000 2.057 225 K HA -0.063 4.262 4.320 0.008 0.000 0.206 225 K C 1.853 178.412 176.600 -0.068 0.000 1.050 225 K CA 1.381 57.644 56.287 -0.041 0.000 0.935 225 K CB -0.293 32.187 32.500 -0.035 0.000 0.715 225 K HN 0.217 nan 8.250 nan 0.000 0.439 226 I N 0.821 121.318 120.570 -0.123 0.000 2.151 226 I HA -0.340 3.835 4.170 0.008 0.000 0.243 226 I C 2.530 178.594 176.117 -0.088 0.000 1.080 226 I CA 1.609 62.798 61.300 -0.185 0.000 1.339 226 I CB -0.293 37.473 38.000 -0.391 0.000 1.039 226 I HN 0.254 nan 8.210 nan 0.000 0.409 227 K N 0.687 121.043 120.400 -0.074 0.000 2.026 227 K HA -0.225 4.100 4.320 0.008 0.000 0.208 227 K C 1.678 178.201 176.600 -0.128 0.000 1.048 227 K CA 1.936 58.112 56.287 -0.186 0.000 0.929 227 K CB -0.042 32.207 32.500 -0.418 0.000 0.713 227 K HN 0.214 nan 8.250 nan 0.000 0.439 228 D N 0.802 121.150 120.400 -0.086 0.000 2.178 228 D HA -0.124 4.520 4.640 0.008 0.000 0.201 228 D C 1.728 178.015 176.300 -0.021 0.000 0.980 228 D CA 0.814 54.783 54.000 -0.052 0.000 0.842 228 D CB -0.016 40.762 40.800 -0.036 0.000 0.948 228 D HN 0.234 nan 8.370 nan 0.000 0.472 229 L N -0.528 120.692 121.223 -0.004 0.000 2.551 229 L HA 0.053 4.398 4.340 0.008 0.000 0.228 229 L C 1.447 178.341 176.870 0.040 0.000 1.153 229 L CA 0.658 55.520 54.840 0.037 0.000 0.851 229 L CB -0.184 41.923 42.059 0.079 0.000 0.959 229 L HN 0.172 nan 8.230 nan 0.000 0.451 230 G N -0.325 108.483 108.800 0.013 0.000 2.131 230 G HA2 -0.294 3.671 3.960 0.008 0.000 0.223 230 G HA3 -0.294 3.671 3.960 0.008 0.000 0.223 230 G C 0.338 175.274 174.900 0.061 0.000 0.990 230 G CA -0.216 44.899 45.100 0.025 0.000 0.671 230 G HN 0.261 nan 8.290 nan 0.000 0.521 231 M N 2.026 121.666 119.600 0.067 0.000 3.596 231 M HA 0.323 4.808 4.480 0.008 0.000 0.219 231 M C 1.903 178.304 176.300 0.168 0.000 1.471 231 M CA 0.585 55.964 55.300 0.132 0.000 1.644 231 M CB 0.173 32.849 32.600 0.127 0.000 1.083 231 M HN 0.241 nan 8.290 nan 0.000 0.579 232 G N 0.549 109.434 108.800 0.143 0.000 2.443 232 G HA2 -0.132 3.833 3.960 0.008 0.000 0.219 232 G HA3 -0.132 3.833 3.960 0.008 0.000 0.219 232 G C 1.475 176.501 174.900 0.210 0.000 1.131 232 G CA 1.038 46.232 45.100 0.157 0.000 0.775 232 G HN 0.672 nan 8.290 nan 0.000 0.547 233 A N 0.333 123.270 122.820 0.196 0.000 1.898 233 A HA 0.221 4.546 4.320 0.008 0.000 0.214 233 A C 2.106 179.818 177.584 0.214 0.000 1.183 233 A CA 1.148 53.289 52.037 0.175 0.000 0.622 233 A CB -0.489 18.587 19.000 0.126 0.000 0.824 233 A HN 0.265 nan 8.150 nan 0.000 0.444 234 F N -0.469 119.518 119.950 0.061 0.000 2.102 234 F HA -0.181 4.350 4.527 0.007 0.000 0.298 234 F C 2.142 177.980 175.800 0.064 0.000 1.105 234 F CA 1.316 59.343 58.000 0.045 0.000 1.239 234 F CB -1.080 37.946 39.000 0.044 0.000 0.991 234 F HN 0.412 nan 8.300 nan 0.000 0.474 235 Y N 0.611 121.048 120.300 0.229 0.000 2.165 235 Y HA -0.184 4.370 4.550 0.007 0.000 0.286 235 Y C 2.407 178.371 175.900 0.106 0.000 1.155 235 Y CA 1.974 60.136 58.100 0.103 0.000 1.164 235 Y CB -0.766 37.712 38.460 0.030 0.000 0.978 235 Y HN 0.072 nan 8.280 nan 0.000 0.513 236 A N -0.847 122.088 122.820 0.192 0.000 1.933 236 A HA -0.160 4.165 4.320 0.008 0.000 0.218 236 A C 2.317 179.901 177.584 0.001 0.000 1.175 236 A CA 1.926 54.018 52.037 0.091 0.000 0.628 236 A CB -1.259 17.817 19.000 0.126 0.000 0.814 236 A HN 0.347 nan 8.150 nan 0.000 0.444 237 V N -0.385 119.548 119.914 0.031 0.000 2.307 237 V HA -0.144 3.981 4.120 0.008 0.000 0.245 237 V C 2.709 178.788 176.094 -0.025 0.000 1.045 237 V CA 1.988 64.289 62.300 0.002 0.000 1.024 237 V CB -1.187 30.637 31.823 0.001 0.000 0.651 237 V HN 0.608 nan 8.190 nan 0.000 0.449 238 G N -0.197 108.583 108.800 -0.034 0.000 2.572 238 G HA2 -0.180 3.785 3.960 0.008 0.000 0.216 238 G HA3 -0.180 3.785 3.960 0.008 0.000 0.216 238 G C 1.415 176.218 174.900 -0.162 0.000 1.133 238 G CA 0.629 45.691 45.100 -0.063 0.000 0.791 238 G HN 0.678 nan 8.290 nan 0.000 0.538 239 Q N -0.030 119.607 119.800 -0.271 0.000 2.291 239 Q HA 0.086 4.431 4.340 0.008 0.000 0.205 239 Q C 2.313 178.236 176.000 -0.129 0.000 0.970 239 Q CA 1.223 56.846 55.803 -0.300 0.000 0.876 239 Q CB -0.491 28.020 28.738 -0.379 0.000 0.935 239 Q HN 0.231 nan 8.270 nan 0.000 0.455 240 G N 0.936 109.688 108.800 -0.080 0.000 2.509 240 G HA2 -0.133 3.832 3.960 0.008 0.000 0.218 240 G HA3 -0.133 3.832 3.960 0.008 0.000 0.218 240 G C 0.518 175.400 174.900 -0.030 0.000 1.124 240 G CA 0.429 45.506 45.100 -0.039 0.000 0.776 240 G HN 0.343 nan 8.290 nan 0.000 0.547 241 S N -0.569 115.110 115.700 -0.036 0.000 2.617 241 S HA 0.330 4.805 4.470 0.008 0.000 0.283 241 S C 0.753 175.334 174.600 -0.031 0.000 1.189 241 S CA -0.617 57.570 58.200 -0.022 0.000 1.036 241 S CB 1.252 64.448 63.200 -0.007 0.000 1.014 241 S HN 0.084 nan 8.310 nan 0.000 0.522 242 D N 1.201 121.584 120.400 -0.028 0.000 2.269 242 D HA 0.030 4.675 4.640 0.008 0.000 0.208 242 D C 0.145 176.413 176.300 -0.053 0.000 0.963 242 D CA 0.952 54.930 54.000 -0.036 0.000 0.864 242 D CB 0.109 40.888 40.800 -0.035 0.000 0.936 242 D HN 0.426 nan 8.370 nan 0.000 0.505 243 Q N 1.714 121.480 119.800 -0.057 0.000 2.337 243 Q HA 0.228 4.572 4.340 0.008 0.000 0.255 243 Q C -2.183 173.791 176.000 -0.042 0.000 0.997 243 Q CA -1.745 54.007 55.803 -0.084 0.000 0.925 243 Q CB 1.418 30.104 28.738 -0.085 0.000 1.212 243 Q HN 0.203 nan 8.270 nan 0.000 0.436 244 P HA 0.257 nan 4.420 nan 0.000 0.274 244 P C -2.585 174.724 177.300 0.016 0.000 1.237 244 P CA -1.476 61.611 63.100 -0.022 0.000 0.793 244 P CB 0.125 31.814 31.700 -0.018 0.000 0.977 245 P HA 0.313 nan 4.420 nan 0.000 0.276 245 P C -0.490 176.838 177.300 0.047 0.000 1.252 245 P CA -0.114 63.040 63.100 0.090 0.000 0.802 245 P CB 0.699 32.474 31.700 0.125 0.000 1.035 246 R N 0.640 121.207 120.500 0.111 0.000 2.564 246 R HA 0.458 4.803 4.340 0.008 0.000 0.284 246 R C -1.249 175.120 176.300 0.116 0.000 1.031 246 R CA -0.972 55.163 56.100 0.058 0.000 0.904 246 R CB 1.520 31.877 30.300 0.095 0.000 1.199 246 R HN 0.429 nan 8.270 nan 0.000 0.443 247 L N 4.380 125.591 121.223 -0.019 0.000 2.262 247 L HA 0.535 4.879 4.340 0.008 0.000 0.288 247 L C -0.753 176.109 176.870 -0.012 0.000 1.035 247 L CA -0.180 54.678 54.840 0.029 0.000 0.820 247 L CB 0.684 42.663 42.059 -0.132 0.000 1.204 247 L HN 0.549 nan 8.230 nan 0.000 0.424 248 I N 5.871 126.451 120.570 0.017 0.000 2.336 248 I HA 0.402 4.577 4.170 0.008 0.000 0.292 248 I C -0.620 175.484 176.117 -0.022 0.000 0.991 248 I CA -0.806 60.493 61.300 -0.001 0.000 1.227 248 I CB 1.702 39.699 38.000 -0.005 0.000 1.366 248 I HN 0.250 nan 8.210 nan 0.000 0.466 249 V N 7.692 127.613 119.914 0.012 0.000 2.384 249 V HA 0.432 4.557 4.120 0.008 0.000 0.287 249 V C -0.345 175.761 176.094 0.020 0.000 1.020 249 V CA -0.533 61.789 62.300 0.037 0.000 0.850 249 V CB 1.570 33.485 31.823 0.153 0.000 0.987 249 V HN 0.412 nan 8.190 nan 0.000 0.436 250 L N 4.777 125.985 121.223 -0.026 0.000 2.343 250 L HA 0.552 4.897 4.340 0.008 0.000 0.278 250 L C -0.142 176.731 176.870 0.004 0.000 0.996 250 L CA -0.143 54.697 54.840 0.000 0.000 0.831 250 L CB 1.529 43.567 42.059 -0.034 0.000 1.232 250 L HN 0.495 nan 8.230 nan 0.000 0.413 251 N N 2.399 121.129 118.700 0.049 0.000 2.511 251 N HA 0.173 4.918 4.740 0.008 0.000 0.249 251 N C -1.657 173.922 175.510 0.115 0.000 0.971 251 N CA -0.435 52.641 53.050 0.044 0.000 0.938 251 N CB 0.934 39.452 38.487 0.052 0.000 1.131 251 N HN 0.492 nan 8.380 nan 0.000 0.505 252 Y N 3.256 123.554 120.300 -0.004 0.000 2.385 252 Y HA 0.327 4.882 4.550 0.008 0.000 0.341 252 Y C -0.410 175.507 175.900 0.029 0.000 0.965 252 Y CA -0.478 57.632 58.100 0.016 0.000 1.180 252 Y CB 0.839 39.303 38.460 0.007 0.000 1.139 252 Y HN 0.336 nan 8.280 nan 0.000 0.502 253 Q N 5.509 125.062 119.800 -0.411 0.000 2.771 253 Q HA 0.269 4.614 4.340 0.008 0.000 0.239 253 Q C 0.619 176.283 176.000 -0.560 0.000 1.231 253 Q CA 0.133 55.722 55.803 -0.357 0.000 1.056 253 Q CB 1.231 29.881 28.738 -0.147 0.000 1.284 253 Q HN 1.125 nan 8.270 nan 0.000 0.558 254 G N 0.408 108.727 108.800 -0.802 0.000 2.887 254 G HA2 0.151 4.116 3.960 0.008 0.000 0.211 254 G HA3 0.151 4.116 3.960 0.008 0.000 0.211 254 G C 0.651 175.453 174.900 -0.164 0.000 1.152 254 G CA 0.331 45.086 45.100 -0.576 0.000 0.769 254 G HN 0.488 nan 8.290 nan 0.000 0.541 255 G N -0.032 108.704 108.800 -0.106 0.000 2.568 255 G HA2 0.487 4.452 3.960 0.008 0.000 0.293 255 G HA3 0.487 4.452 3.960 0.008 0.000 0.293 255 G C -0.337 174.545 174.900 -0.029 0.000 1.347 255 G CA -0.835 44.254 45.100 -0.019 0.000 1.039 255 G HN 0.218 nan 8.290 nan 0.000 0.523 256 K N -0.184 120.212 120.400 -0.007 0.000 2.355 256 K HA 0.075 4.399 4.320 0.008 0.000 0.270 256 K C 1.307 177.900 176.600 -0.012 0.000 1.003 256 K CA -0.117 56.165 56.287 -0.008 0.000 0.957 256 K CB 1.473 33.973 32.500 0.000 0.000 0.939 256 K HN 0.577 nan 8.250 nan 0.000 0.482 257 K N 2.003 122.396 120.400 -0.011 0.000 2.160 257 K HA -0.215 4.110 4.320 0.008 0.000 0.206 257 K C 1.535 178.133 176.600 -0.003 0.000 1.047 257 K CA 1.816 58.098 56.287 -0.008 0.000 0.930 257 K CB -0.035 32.462 32.500 -0.005 0.000 0.720 257 K HN 0.679 nan 8.250 nan 0.000 0.450 258 A N 0.764 123.582 122.820 -0.004 0.000 2.169 258 A HA 0.019 4.344 4.320 0.008 0.000 0.212 258 A C -0.222 177.357 177.584 -0.009 0.000 1.153 258 A CA 0.197 52.232 52.037 -0.004 0.000 0.756 258 A CB -0.074 18.925 19.000 -0.003 0.000 0.813 258 A HN 0.298 nan 8.150 nan 0.000 0.471 259 D N 1.654 122.047 120.400 -0.011 0.000 2.425 259 D HA 0.170 4.814 4.640 0.008 0.000 0.247 259 D C -0.017 176.253 176.300 -0.050 0.000 1.147 259 D CA 0.448 54.434 54.000 -0.023 0.000 0.879 259 D CB 0.623 41.421 40.800 -0.004 0.000 1.179 259 D HN 0.251 nan 8.370 nan 0.000 0.456 260 K N 3.468 123.814 120.400 -0.089 0.000 2.382 260 K HA 0.164 4.489 4.320 0.008 0.000 0.275 260 K C -2.057 174.402 176.600 -0.236 0.000 1.009 260 K CA -1.017 55.194 56.287 -0.126 0.000 0.970 260 K CB 0.474 32.892 32.500 -0.138 0.000 0.934 260 K HN 0.287 nan 8.250 nan 0.000 0.479 261 P HA 0.187 nan 4.420 nan 0.000 0.281 261 P C -0.911 176.163 177.300 -0.376 0.000 1.264 261 P CA -0.422 62.568 63.100 -0.183 0.000 0.824 261 P CB 0.540 32.211 31.700 -0.048 0.000 1.092 262 F N -0.417 119.554 119.950 0.035 0.000 2.404 262 F HA 0.319 4.850 4.527 0.008 0.000 0.345 262 F C 0.535 176.333 175.800 -0.004 0.000 1.110 262 F CA -0.495 57.536 58.000 0.052 0.000 1.130 262 F CB 1.056 40.125 39.000 0.115 0.000 1.129 262 F HN -0.093 nan 8.300 nan 0.000 0.500 263 V N 5.105 125.081 119.914 0.103 0.000 2.459 263 V HA 0.420 4.545 4.120 0.008 0.000 0.295 263 V C -0.231 175.884 176.094 0.035 0.000 1.029 263 V CA -0.826 61.472 62.300 -0.004 0.000 0.874 263 V CB 1.761 33.531 31.823 -0.088 0.000 0.985 263 V HN 0.531 nan 8.190 nan 0.000 0.438 264 L N 5.338 126.569 121.223 0.013 0.000 2.313 264 L HA 0.638 4.982 4.340 0.008 0.000 0.283 264 L C -0.696 176.175 176.870 0.001 0.000 1.013 264 L CA -0.744 54.102 54.840 0.009 0.000 0.816 264 L CB 1.917 43.973 42.059 -0.006 0.000 1.236 264 L HN 0.340 nan 8.230 nan 0.000 0.419 265 V N 2.136 122.071 119.914 0.035 0.000 2.384 265 V HA 0.631 4.756 4.120 0.008 0.000 0.287 265 V C 0.477 176.590 176.094 0.031 0.000 1.020 265 V CA -0.457 61.871 62.300 0.047 0.000 0.850 265 V CB 1.565 33.454 31.823 0.110 0.000 0.987 265 V HN 0.869 nan 8.190 nan 0.000 0.436 266 G N 3.199 111.997 108.800 -0.004 0.000 2.470 266 G HA2 0.494 4.459 3.960 0.008 0.000 0.320 266 G HA3 0.494 4.459 3.960 0.008 0.000 0.320 266 G C -0.646 174.245 174.900 -0.015 0.000 1.245 266 G CA -0.717 44.378 45.100 -0.009 0.000 0.935 266 G HN 0.663 nan 8.290 nan 0.000 0.476 267 K N 1.346 121.744 120.400 -0.004 0.000 2.379 267 K HA 0.353 4.678 4.320 0.008 0.000 0.284 267 K C 0.602 177.192 176.600 -0.018 0.000 1.044 267 K CA -0.097 56.171 56.287 -0.032 0.000 0.974 267 K CB 0.501 32.992 32.500 -0.015 0.000 0.962 267 K HN 0.455 nan 8.250 nan 0.000 0.474 268 G N 6.168 114.949 108.800 -0.031 0.000 4.975 268 G HA2 0.229 4.194 3.960 0.008 0.000 0.312 268 G HA3 0.229 4.194 3.960 0.008 0.000 0.312 268 G C -0.343 174.564 174.900 0.012 0.000 1.425 268 G CA -0.476 44.634 45.100 0.015 0.000 1.076 268 G HN 0.510 nan 8.290 nan 0.000 0.586 269 I N 3.036 123.593 120.570 -0.021 0.000 2.347 269 I HA 0.079 4.254 4.170 0.008 0.000 0.294 269 I C 1.945 178.054 176.117 -0.014 0.000 1.090 269 I CA 0.044 61.328 61.300 -0.028 0.000 1.314 269 I CB 0.214 38.172 38.000 -0.072 0.000 1.423 269 I HN 0.313 nan 8.210 nan 0.000 0.503 270 T N 3.233 117.813 114.554 0.043 0.000 2.915 270 T HA -0.054 4.301 4.350 0.008 0.000 0.269 270 T C 0.339 175.106 174.700 0.113 0.000 1.071 270 T CA 0.798 62.940 62.100 0.070 0.000 1.132 270 T CB 0.039 68.981 68.868 0.123 0.000 0.878 270 T HN 0.283 nan 8.240 nan 0.000 0.479 271 F N 0.870 120.785 119.950 -0.058 0.000 2.604 271 F HA 0.478 5.010 4.527 0.008 0.000 0.316 271 F C -2.128 173.634 175.800 -0.062 0.000 1.136 271 F CA -1.721 56.228 58.000 -0.085 0.000 0.989 271 F CB 2.078 41.027 39.000 -0.085 0.000 1.258 271 F HN -0.127 nan 8.300 nan 0.000 0.451 272 D N 2.947 122.835 120.400 -0.854 0.000 2.472 272 D HA 0.201 4.845 4.640 0.008 0.000 0.234 272 D C 0.911 176.890 176.300 -0.536 0.000 1.088 272 D CA 0.069 53.772 54.000 -0.495 0.000 0.882 272 D CB 1.268 41.858 40.800 -0.350 0.000 1.037 272 D HN 0.614 nan 8.370 nan 0.000 0.520 273 T N 0.298 114.745 114.554 -0.179 0.000 3.085 273 T HA 0.227 4.582 4.350 0.008 0.000 0.263 273 T C 1.561 176.238 174.700 -0.038 0.000 1.127 273 T CA 0.741 62.836 62.100 -0.009 0.000 1.103 273 T CB 0.129 69.077 68.868 0.133 0.000 0.921 273 T HN 0.516 nan 8.240 nan 0.000 0.510 274 G N 0.644 109.403 108.800 -0.067 0.000 2.258 274 G HA2 0.146 4.111 3.960 0.008 0.000 0.233 274 G HA3 0.146 4.111 3.960 0.008 0.000 0.233 274 G C 1.174 176.058 174.900 -0.027 0.000 1.006 274 G CA 0.363 45.435 45.100 -0.047 0.000 0.620 274 G HN 1.748 nan 8.290 nan 0.000 0.511 275 G N 0.288 109.082 108.800 -0.010 0.000 2.512 275 G HA2 -0.141 3.824 3.960 0.008 0.000 0.254 275 G HA3 -0.141 3.824 3.960 0.008 0.000 0.254 275 G C 0.897 175.798 174.900 0.001 0.000 1.199 275 G CA 0.510 45.609 45.100 -0.002 0.000 0.941 275 G HN 0.974 nan 8.290 nan 0.000 0.569 276 I N 1.463 122.033 120.570 0.000 0.000 2.286 276 I HA -0.056 4.119 4.170 0.008 0.000 0.248 276 I C 2.220 178.338 176.117 0.001 0.000 1.115 276 I CA 1.998 63.299 61.300 0.002 0.000 1.392 276 I CB -1.340 36.662 38.000 0.003 0.000 1.065 276 I HN 0.338 nan 8.210 nan 0.000 0.418 277 S N 2.509 118.207 115.700 -0.003 0.000 4.085 277 S HA 0.128 4.603 4.470 0.008 0.000 0.189 277 S C 0.278 174.874 174.600 -0.006 0.000 1.392 277 S CA -0.346 57.851 58.200 -0.005 0.000 0.972 277 S CB -0.943 62.251 63.200 -0.010 0.000 1.482 277 S HN 0.124 nan 8.310 nan 0.000 0.446 278 L N 2.808 124.031 121.223 0.000 0.000 2.490 278 L HA 0.137 4.482 4.340 0.008 0.000 0.274 278 L C 0.485 177.357 176.870 0.002 0.000 1.201 278 L CA 0.553 55.396 54.840 0.004 0.000 0.869 278 L CB 0.352 42.418 42.059 0.012 0.000 1.123 278 L HN 0.268 nan 8.230 nan 0.000 0.484 279 K N 5.071 125.471 120.400 0.000 0.000 2.219 279 K HA 0.260 4.585 4.320 0.008 0.000 0.258 279 K C -2.102 174.506 176.600 0.013 0.000 1.008 279 K CA -1.390 54.897 56.287 -0.001 0.000 0.928 279 K CB -0.056 32.436 32.500 -0.014 0.000 0.983 279 K HN 0.511 nan 8.250 nan 0.000 0.484 280 P HA -0.012 nan 4.420 nan 0.000 0.270 280 P C 0.559 177.876 177.300 0.028 0.000 1.223 280 P CA -0.187 62.925 63.100 0.018 0.000 0.785 280 P CB 0.505 32.215 31.700 0.016 0.000 0.923 281 G N 0.691 109.508 108.800 0.028 0.000 2.408 281 G HA2 -0.026 3.938 3.960 0.008 0.000 0.217 281 G HA3 -0.026 3.938 3.960 0.008 0.000 0.217 281 G C 0.560 175.483 174.900 0.039 0.000 1.150 281 G CA 0.556 45.677 45.100 0.035 0.000 0.776 281 G HN 0.793 nan 8.290 nan 0.000 0.542 282 A N 0.055 122.895 122.820 0.032 0.000 2.522 282 A HA 0.482 4.807 4.320 0.008 0.000 0.256 282 A C 1.688 179.300 177.584 0.048 0.000 1.086 282 A CA 0.873 52.931 52.037 0.035 0.000 0.763 282 A CB -0.563 18.453 19.000 0.028 0.000 1.024 282 A HN 1.756 nan 8.150 nan 0.000 0.502 283 G N 2.116 110.950 108.800 0.057 0.000 2.155 283 G HA2 -0.333 3.632 3.960 0.008 0.000 0.257 283 G HA3 -0.333 3.632 3.960 0.008 0.000 0.257 283 G C 0.865 175.816 174.900 0.085 0.000 0.983 283 G CA 0.708 45.855 45.100 0.079 0.000 0.676 283 G HN 0.850 nan 8.290 nan 0.000 0.528 284 M N 0.801 120.450 119.600 0.082 0.000 2.296 284 M HA -0.060 4.425 4.480 0.008 0.000 0.265 284 M C 2.435 178.841 176.300 0.176 0.000 1.064 284 M CA 2.395 57.757 55.300 0.103 0.000 1.109 284 M CB -0.278 32.408 32.600 0.143 0.000 1.396 284 M HN 0.432 nan 8.290 nan 0.000 0.430 285 D N -0.064 120.425 120.400 0.147 0.000 2.228 285 D HA -0.249 4.396 4.640 0.008 0.000 0.203 285 D C 1.092 177.415 176.300 0.038 0.000 0.988 285 D CA 1.475 55.549 54.000 0.123 0.000 0.864 285 D CB -0.827 39.986 40.800 0.022 0.000 0.928 285 D HN 0.520 nan 8.370 nan 0.000 0.469 286 E N -0.824 119.382 120.200 0.009 0.000 2.482 286 E HA 0.020 4.375 4.350 0.008 0.000 0.196 286 E C 1.498 177.873 176.600 -0.375 0.000 1.047 286 E CA 0.063 56.392 56.400 -0.117 0.000 0.869 286 E CB -0.044 29.743 29.700 0.145 0.000 0.836 286 E HN 0.262 nan 8.360 nan 0.000 0.520 287 M N 0.844 120.271 119.600 -0.288 0.000 2.659 287 M HA -0.068 4.417 4.480 0.008 0.000 0.243 287 M C 1.795 177.800 176.300 -0.491 0.000 1.111 287 M CA 0.983 55.971 55.300 -0.520 0.000 1.070 287 M CB -0.539 31.560 32.600 -0.836 0.000 1.525 287 M HN 0.077 nan 8.290 nan 0.000 0.517 288 K N -0.480 119.765 120.400 -0.259 0.000 2.362 288 K HA -0.151 4.174 4.320 0.008 0.000 0.200 288 K C 0.707 176.992 176.600 -0.524 0.000 1.046 288 K CA 1.260 57.390 56.287 -0.262 0.000 0.952 288 K CB -0.413 31.861 32.500 -0.376 0.000 0.753 288 K HN 0.225 nan 8.250 nan 0.000 0.466 289 Y N 1.300 121.287 120.300 -0.522 0.000 2.471 289 Y HA 0.066 4.620 4.550 0.008 0.000 0.286 289 Y C 0.985 176.654 175.900 -0.386 0.000 1.188 289 Y CA -0.134 57.608 58.100 -0.596 0.000 1.286 289 Y CB -0.044 37.657 38.460 -1.265 0.000 1.072 289 Y HN 0.161 nan 8.280 nan 0.000 0.517 290 D N 0.293 120.565 120.400 -0.212 0.000 2.363 290 D HA -0.049 4.596 4.640 0.008 0.000 0.226 290 D C 1.254 177.535 176.300 -0.032 0.000 1.020 290 D CA 0.586 54.531 54.000 -0.093 0.000 0.892 290 D CB 0.090 40.794 40.800 -0.159 0.000 0.900 290 D HN 0.323 nan 8.370 nan 0.000 0.531 291 M N -2.373 117.213 119.600 -0.024 0.000 2.404 291 M HA 0.291 4.776 4.480 0.008 0.000 0.271 291 M C 1.359 177.688 176.300 0.047 0.000 1.128 291 M CA -0.239 55.072 55.300 0.018 0.000 0.982 291 M CB -0.755 31.864 32.600 0.032 0.000 1.445 291 M HN -0.167 nan 8.290 nan 0.000 0.495 292 C N 1.365 120.708 119.300 0.071 0.000 2.419 292 C HA 0.055 4.520 4.460 0.008 0.000 0.281 292 C C 2.760 177.788 174.990 0.064 0.000 1.336 292 C CA 1.290 60.364 59.018 0.093 0.000 1.770 292 C CB -1.618 26.223 27.740 0.168 0.000 1.929 292 C HN 0.838 nan 8.230 nan 0.000 0.509 293 G N 0.588 109.422 108.800 0.056 0.000 2.453 293 G HA2 -0.070 3.894 3.960 0.008 0.000 0.215 293 G HA3 -0.070 3.894 3.960 0.008 0.000 0.215 293 G C 1.919 176.829 174.900 0.017 0.000 1.201 293 G CA 1.016 46.134 45.100 0.030 0.000 0.784 293 G HN 0.579 nan 8.290 nan 0.000 0.545 294 A N 1.194 124.027 122.820 0.021 0.000 1.908 294 A HA 0.155 4.480 4.320 0.008 0.000 0.218 294 A C 2.823 180.450 177.584 0.072 0.000 1.181 294 A CA 2.556 54.600 52.037 0.012 0.000 0.627 294 A CB -0.871 18.154 19.000 0.041 0.000 0.818 294 A HN 0.894 nan 8.150 nan 0.000 0.445 295 A N 0.230 123.108 122.820 0.095 0.000 1.902 295 A HA -0.109 4.216 4.320 0.008 0.000 0.217 295 A C 2.518 180.119 177.584 0.027 0.000 1.181 295 A CA 2.429 54.508 52.037 0.071 0.000 0.623 295 A CB -0.995 18.008 19.000 0.006 0.000 0.818 295 A HN 1.094 nan 8.150 nan 0.000 0.443 296 S N -0.579 115.131 115.700 0.018 0.000 2.423 296 S HA -0.076 4.398 4.470 0.008 0.000 0.231 296 S C 1.705 176.309 174.600 0.007 0.000 1.014 296 S CA 1.288 59.492 58.200 0.006 0.000 0.965 296 S CB -0.672 62.526 63.200 -0.002 0.000 0.785 296 S HN 0.231 nan 8.310 nan 0.000 0.495 297 V N 0.770 120.678 119.914 -0.011 0.000 2.323 297 V HA -0.040 4.085 4.120 0.008 0.000 0.244 297 V C 2.219 178.295 176.094 -0.031 0.000 1.041 297 V CA 1.646 63.916 62.300 -0.049 0.000 1.025 297 V CB -1.051 30.710 31.823 -0.104 0.000 0.656 297 V HN 0.408 nan 8.190 nan 0.000 0.451 298 F N 1.639 121.526 119.950 -0.105 0.000 2.091 298 F HA -0.155 4.377 4.527 0.008 0.000 0.299 298 F C 2.373 178.164 175.800 -0.016 0.000 1.103 298 F CA 1.877 59.797 58.000 -0.133 0.000 1.228 298 F CB -1.186 37.508 39.000 -0.510 0.000 0.984 298 F HN 0.206 nan 8.300 nan 0.000 0.477 299 G N -1.793 107.092 108.800 0.140 0.000 2.403 299 G HA2 -0.165 3.800 3.960 0.008 0.000 0.216 299 G HA3 -0.165 3.800 3.960 0.008 0.000 0.216 299 G C 1.713 176.692 174.900 0.133 0.000 1.154 299 G CA 1.237 46.450 45.100 0.188 0.000 0.784 299 G HN 0.309 nan 8.290 nan 0.000 0.538 300 T N 1.274 115.867 114.554 0.066 0.000 2.708 300 T HA -0.137 4.218 4.350 0.008 0.000 0.266 300 T C 2.240 176.937 174.700 -0.005 0.000 1.037 300 T CA 1.214 63.326 62.100 0.020 0.000 1.146 300 T CB -0.259 68.609 68.868 0.000 0.000 0.865 300 T HN 0.138 nan 8.240 nan 0.000 0.435 301 L N 1.344 122.570 121.223 0.006 0.000 2.079 301 L HA -0.009 4.336 4.340 0.008 0.000 0.210 301 L C 2.422 179.250 176.870 -0.070 0.000 1.081 301 L CA 1.763 56.569 54.840 -0.056 0.000 0.752 301 L CB -0.486 41.564 42.059 -0.015 0.000 0.896 301 L HN 0.079 nan 8.230 nan 0.000 0.433 302 R N -0.860 119.677 120.500 0.062 0.000 2.090 302 R HA -0.046 4.299 4.340 0.008 0.000 0.228 302 R C 2.174 178.461 176.300 -0.021 0.000 1.110 302 R CA 1.050 57.168 56.100 0.030 0.000 0.973 302 R CB -0.284 30.135 30.300 0.198 0.000 0.869 302 R HN 0.476 nan 8.270 nan 0.000 0.440 303 A N 0.557 123.380 122.820 0.006 0.000 1.902 303 A HA -0.142 4.183 4.320 0.008 0.000 0.217 303 A C 2.197 179.739 177.584 -0.070 0.000 1.181 303 A CA 1.598 53.628 52.037 -0.013 0.000 0.623 303 A CB -0.898 18.104 19.000 0.003 0.000 0.818 303 A HN 0.290 nan 8.150 nan 0.000 0.443 304 V N 0.032 119.864 119.914 -0.138 0.000 2.343 304 V HA -0.220 3.905 4.120 0.008 0.000 0.247 304 V C 2.346 178.252 176.094 -0.313 0.000 1.051 304 V CA 2.243 64.404 62.300 -0.233 0.000 1.036 304 V CB -0.463 31.159 31.823 -0.335 0.000 0.654 304 V HN 0.567 nan 8.190 nan 0.000 0.451 305 L N 0.060 121.064 121.223 -0.366 0.000 2.046 305 L HA -0.196 4.149 4.340 0.008 0.000 0.208 305 L C 2.673 179.495 176.870 -0.081 0.000 1.077 305 L CA 2.356 57.010 54.840 -0.311 0.000 0.747 305 L CB -0.682 41.101 42.059 -0.461 0.000 0.896 305 L HN 0.487 nan 8.230 nan 0.000 0.432 306 E N 0.574 120.745 120.200 -0.049 0.000 2.085 306 E HA -0.228 4.127 4.350 0.008 0.000 0.194 306 E C 2.209 178.833 176.600 0.041 0.000 0.994 306 E CA 1.193 57.607 56.400 0.024 0.000 0.801 306 E CB -0.024 29.694 29.700 0.029 0.000 0.743 306 E HN 0.472 nan 8.360 nan 0.000 0.453 307 L N 0.305 121.543 121.223 0.025 0.000 2.492 307 L HA -0.011 4.334 4.340 0.008 0.000 0.223 307 L C 0.438 177.348 176.870 0.066 0.000 1.132 307 L CA 0.087 54.960 54.840 0.056 0.000 0.850 307 L CB 0.065 42.144 42.059 0.034 0.000 0.966 307 L HN 0.154 nan 8.230 nan 0.000 0.454 308 Q N 0.954 120.792 119.800 0.064 0.000 2.435 308 Q HA -0.193 4.152 4.340 0.008 0.000 0.312 308 Q C -0.223 175.880 176.000 0.171 0.000 1.333 308 Q CA 0.799 56.692 55.803 0.150 0.000 0.883 308 Q CB -1.957 26.866 28.738 0.142 0.000 1.170 308 Q HN 0.482 nan 8.270 nan 0.000 0.443 309 L N 1.351 122.658 121.223 0.140 0.000 2.485 309 L HA 0.069 4.414 4.340 0.008 0.000 0.275 309 L C -1.277 175.718 176.870 0.208 0.000 1.207 309 L CA -1.208 53.707 54.840 0.126 0.000 0.855 309 L CB -0.031 42.056 42.059 0.047 0.000 1.114 309 L HN -0.000 nan 8.230 nan 0.000 0.485 310 P HA 0.142 nan 4.420 nan 0.000 0.214 310 P C -0.802 176.560 177.300 0.105 0.000 1.826 310 P CA -0.077 63.080 63.100 0.096 0.000 0.977 310 P CB 0.116 31.852 31.700 0.059 0.000 1.930 311 V N -1.179 118.836 119.914 0.168 0.000 3.040 311 V HA 0.562 4.687 4.120 0.008 0.000 0.312 311 V C -0.567 175.642 176.094 0.191 0.000 1.115 311 V CA -1.404 61.027 62.300 0.218 0.000 0.998 311 V CB 2.202 34.186 31.823 0.268 0.000 1.042 311 V HN 0.002 nan 8.190 nan 0.000 0.433 312 N N 2.091 120.900 118.700 0.182 0.000 2.419 312 N HA 0.627 5.372 4.740 0.008 0.000 0.264 312 N C -1.156 174.491 175.510 0.228 0.000 1.031 312 N CA -0.410 52.704 53.050 0.106 0.000 0.951 312 N CB 1.613 40.118 38.487 0.029 0.000 1.101 312 N HN 0.701 nan 8.380 nan 0.000 0.488 313 L N 3.776 125.151 121.223 0.253 0.000 2.376 313 L HA 0.496 4.841 4.340 0.008 0.000 0.275 313 L C -1.343 175.581 176.870 0.090 0.000 0.987 313 L CA -0.738 54.241 54.840 0.231 0.000 0.828 313 L CB 1.605 43.824 42.059 0.266 0.000 1.249 313 L HN 0.207 nan 8.230 nan 0.000 0.409 314 V N 4.640 124.530 119.914 -0.039 0.000 2.384 314 V HA 0.412 4.537 4.120 0.008 0.000 0.287 314 V C -0.444 175.548 176.094 -0.169 0.000 1.020 314 V CA -0.472 61.695 62.300 -0.221 0.000 0.850 314 V CB 1.345 32.786 31.823 -0.636 0.000 0.987 314 V HN 0.868 nan 8.190 nan 0.000 0.436 315 C N 6.642 125.862 119.300 -0.134 0.000 2.303 315 C HA 0.670 5.135 4.460 0.008 0.000 0.326 315 C C 0.023 174.945 174.990 -0.113 0.000 1.285 315 C CA -0.827 58.121 59.018 -0.117 0.000 1.675 315 C CB 0.167 27.823 27.740 -0.139 0.000 2.289 315 C HN 0.718 nan 8.230 nan 0.000 0.512 316 L N 4.618 125.797 121.223 -0.073 0.000 2.343 316 L HA 0.540 4.885 4.340 0.008 0.000 0.278 316 L C -0.666 176.181 176.870 -0.038 0.000 0.996 316 L CA -0.264 54.565 54.840 -0.019 0.000 0.831 316 L CB 0.852 42.958 42.059 0.077 0.000 1.232 316 L HN 0.521 nan 8.230 nan 0.000 0.413 317 L N 3.650 124.839 121.223 -0.057 0.000 2.276 317 L HA 0.612 4.957 4.340 0.008 0.000 0.286 317 L C 0.343 177.238 176.870 0.042 0.000 1.024 317 L CA -0.511 54.297 54.840 -0.054 0.000 0.826 317 L CB 1.626 43.599 42.059 -0.143 0.000 1.211 317 L HN 0.650 nan 8.230 nan 0.000 0.422 318 A N 3.474 126.303 122.820 0.015 0.000 2.478 318 A HA 0.530 4.854 4.320 0.008 0.000 0.327 318 A C -0.283 177.274 177.584 -0.044 0.000 1.431 318 A CA -0.313 51.712 52.037 -0.020 0.000 1.014 318 A CB -0.105 18.690 19.000 -0.342 0.000 1.143 318 A HN 0.767 nan 8.150 nan 0.000 0.532 319 C N 2.221 121.652 119.300 0.218 0.000 2.351 319 C HA 0.942 5.406 4.460 0.008 0.000 0.326 319 C C 0.671 175.804 174.990 0.237 0.000 1.272 319 C CA 0.048 59.165 59.018 0.164 0.000 1.650 319 C CB 0.384 28.231 27.740 0.179 0.000 2.257 319 C HN 1.095 nan 8.230 nan 0.000 0.505 320 A N 2.274 125.174 122.820 0.133 0.000 2.599 320 A HA 0.836 5.161 4.320 0.008 0.000 0.290 320 A C -1.583 176.049 177.584 0.081 0.000 1.101 320 A CA -0.473 51.644 52.037 0.133 0.000 0.674 320 A CB 1.218 20.305 19.000 0.145 0.000 1.277 320 A HN 0.804 nan 8.150 nan 0.000 0.419 321 E N 0.639 120.881 120.200 0.070 0.000 2.218 321 E HA 0.393 4.748 4.350 0.008 0.000 0.263 321 E C -1.378 175.251 176.600 0.048 0.000 0.879 321 E CA -0.623 55.822 56.400 0.075 0.000 0.762 321 E CB 1.101 30.857 29.700 0.094 0.000 1.166 321 E HN 0.537 nan 8.360 nan 0.000 0.415 322 N N 5.502 124.223 118.700 0.035 0.000 2.500 322 N HA 0.211 4.956 4.740 0.008 0.000 0.236 322 N C -1.241 174.292 175.510 0.039 0.000 1.022 322 N CA -0.105 52.950 53.050 0.008 0.000 0.935 322 N CB 0.415 38.881 38.487 -0.036 0.000 1.147 322 N HN 0.468 nan 8.380 nan 0.000 0.512 323 M N 3.283 122.902 119.600 0.032 0.000 2.530 323 M HA 0.507 4.992 4.480 0.008 0.000 0.307 323 M C -2.480 173.831 176.300 0.019 0.000 1.161 323 M CA -2.182 53.142 55.300 0.041 0.000 0.903 323 M CB 1.843 34.463 32.600 0.034 0.000 1.711 323 M HN 0.283 nan 8.290 nan 0.000 0.451 324 P HA 0.456 nan 4.420 nan 0.000 0.284 324 P C -0.937 176.367 177.300 0.006 0.000 1.253 324 P CA -0.124 62.982 63.100 0.011 0.000 0.800 324 P CB 1.320 33.028 31.700 0.014 0.000 0.961 325 S N 0.119 115.820 115.700 0.002 0.000 2.656 325 S HA 0.456 4.931 4.470 0.008 0.000 0.265 325 S C 0.939 175.540 174.600 0.001 0.000 1.132 325 S CA -0.201 57.999 58.200 -0.000 0.000 0.819 325 S CB 0.295 63.493 63.200 -0.004 0.000 1.119 325 S HN 0.403 nan 8.310 nan 0.000 0.476 326 G N -0.460 108.340 108.800 0.001 0.000 2.679 326 G HA2 0.372 4.337 3.960 0.008 0.000 0.212 326 G HA3 0.372 4.337 3.960 0.008 0.000 0.212 326 G C 0.839 175.742 174.900 0.005 0.000 1.137 326 G CA 0.471 45.573 45.100 0.003 0.000 0.787 326 G HN 1.457 nan 8.290 nan 0.000 0.534 327 G N -0.627 108.175 108.800 0.004 0.000 3.596 327 G HA2 0.519 4.484 3.960 0.008 0.000 0.274 327 G HA3 0.519 4.484 3.960 0.008 0.000 0.274 327 G C 0.525 175.426 174.900 0.003 0.000 1.007 327 G CA 0.599 45.704 45.100 0.008 0.000 0.825 327 G HN 0.551 nan 8.290 nan 0.000 0.508 328 A N 0.311 123.130 122.820 -0.001 0.000 2.366 328 A HA 0.596 4.921 4.320 0.008 0.000 0.249 328 A C 0.817 178.403 177.584 0.004 0.000 1.084 328 A CA 0.066 52.100 52.037 -0.006 0.000 0.794 328 A CB 0.110 19.108 19.000 -0.004 0.000 1.034 328 A HN 0.144 nan 8.150 nan 0.000 0.491 329 T N 1.662 116.218 114.554 0.003 0.000 2.946 329 T HA 0.249 4.604 4.350 0.008 0.000 0.311 329 T C 0.454 175.162 174.700 0.012 0.000 1.063 329 T CA 0.708 62.818 62.100 0.016 0.000 1.139 329 T CB -0.034 68.845 68.868 0.018 0.000 0.994 329 T HN 0.598 nan 8.240 nan 0.000 0.547 330 R N 3.183 123.693 120.500 0.016 0.000 2.604 330 R HA 0.401 4.745 4.340 0.008 0.000 0.287 330 R C -2.647 173.662 176.300 0.014 0.000 0.970 330 R CA -2.181 53.926 56.100 0.012 0.000 0.946 330 R CB 0.658 30.963 30.300 0.009 0.000 1.127 330 R HN 0.342 nan 8.270 nan 0.000 0.473 331 P HA -0.024 nan 4.420 nan 0.000 0.262 331 P C 0.490 177.801 177.300 0.018 0.000 1.182 331 P CA 1.058 64.168 63.100 0.017 0.000 0.761 331 P CB 0.623 32.332 31.700 0.015 0.000 0.795 332 G N 2.011 110.829 108.800 0.029 0.000 2.213 332 G HA2 -0.191 3.773 3.960 0.008 0.000 0.236 332 G HA3 -0.191 3.773 3.960 0.008 0.000 0.236 332 G C 0.019 174.926 174.900 0.012 0.000 0.991 332 G CA -0.341 44.771 45.100 0.020 0.000 0.629 332 G HN 0.491 nan 8.290 nan 0.000 0.517 333 D N 0.497 120.910 120.400 0.023 0.000 2.423 333 D HA 0.471 5.116 4.640 0.008 0.000 0.238 333 D C 0.812 177.142 176.300 0.050 0.000 1.142 333 D CA 0.516 54.533 54.000 0.029 0.000 0.884 333 D CB 0.748 41.572 40.800 0.041 0.000 1.199 333 D HN 0.392 nan 8.370 nan 0.000 0.438 334 I N 1.501 122.100 120.570 0.049 0.000 2.465 334 I HA 0.313 4.488 4.170 0.008 0.000 0.291 334 I C -0.138 176.026 176.117 0.078 0.000 1.014 334 I CA -0.993 60.352 61.300 0.074 0.000 1.093 334 I CB 1.756 39.797 38.000 0.067 0.000 1.267 334 I HN 0.077 nan 8.210 nan 0.000 0.431 335 V N 1.358 121.332 119.914 0.101 0.000 3.001 335 V HA 0.651 4.775 4.120 0.008 0.000 0.314 335 V C -0.260 175.899 176.094 0.108 0.000 1.099 335 V CA -0.460 61.902 62.300 0.103 0.000 0.989 335 V CB 1.829 33.727 31.823 0.125 0.000 1.040 335 V HN 0.663 nan 8.190 nan 0.000 0.434 336 T N 2.946 117.556 114.554 0.092 0.000 2.749 336 T HA 0.546 4.901 4.350 0.008 0.000 0.287 336 T C 0.433 175.199 174.700 0.111 0.000 0.970 336 T CA 0.179 62.333 62.100 0.090 0.000 0.980 336 T CB 0.855 69.759 68.868 0.060 0.000 0.924 336 T HN 1.230 nan 8.240 nan 0.000 0.456 337 T N 1.192 115.833 114.554 0.145 0.000 2.816 337 T HA 0.289 4.644 4.350 0.008 0.000 0.282 337 T C 1.607 176.396 174.700 0.148 0.000 0.993 337 T CA -0.844 61.361 62.100 0.175 0.000 0.994 337 T CB 0.635 69.677 68.868 0.289 0.000 1.025 337 T HN 0.576 nan 8.240 nan 0.000 0.529 338 M N 1.299 120.992 119.600 0.156 0.000 2.213 338 M HA -0.121 4.364 4.480 0.008 0.000 0.263 338 M C 2.214 178.582 176.300 0.114 0.000 1.062 338 M CA 2.152 57.529 55.300 0.130 0.000 1.105 338 M CB -0.487 32.206 32.600 0.155 0.000 1.385 338 M HN 0.900 nan 8.290 nan 0.000 0.417 339 S N -0.916 114.874 115.700 0.151 0.000 2.474 339 S HA 0.070 4.545 4.470 0.008 0.000 0.235 339 S C 1.595 176.213 174.600 0.029 0.000 0.997 339 S CA 1.015 59.266 58.200 0.085 0.000 0.949 339 S CB -0.423 62.829 63.200 0.087 0.000 0.766 339 S HN 0.803 nan 8.310 nan 0.000 0.517 340 G N 0.167 108.999 108.800 0.053 0.000 2.234 340 G HA2 -0.244 3.721 3.960 0.008 0.000 0.235 340 G HA3 -0.244 3.721 3.960 0.008 0.000 0.235 340 G C -0.077 174.833 174.900 0.017 0.000 0.997 340 G CA 0.022 45.137 45.100 0.025 0.000 0.623 340 G HN 0.608 nan 8.290 nan 0.000 0.514 341 Q N 1.852 121.653 119.800 0.003 0.000 2.337 341 Q HA 0.450 4.794 4.340 0.008 0.000 0.270 341 Q C 0.760 176.800 176.000 0.067 0.000 1.002 341 Q CA 0.841 56.630 55.803 -0.023 0.000 0.888 341 Q CB 0.663 29.303 28.738 -0.164 0.000 1.222 341 Q HN 0.557 nan 8.270 nan 0.000 0.400 342 T N -1.600 112.986 114.554 0.055 0.000 2.907 342 T HA 0.595 4.950 4.350 0.008 0.000 0.284 342 T C -0.223 174.557 174.700 0.133 0.000 1.004 342 T CA -0.830 61.328 62.100 0.096 0.000 1.063 342 T CB 1.138 70.055 68.868 0.080 0.000 0.992 342 T HN 0.268 nan 8.240 nan 0.000 0.483 343 V N 2.151 122.168 119.914 0.172 0.000 2.577 343 V HA 0.407 4.531 4.120 0.008 0.000 0.303 343 V C -0.063 176.142 176.094 0.185 0.000 1.042 343 V CA -0.916 61.520 62.300 0.227 0.000 0.872 343 V CB 1.600 33.620 31.823 0.327 0.000 0.998 343 V HN 1.061 nan 8.190 nan 0.000 0.423 344 E N 4.685 124.996 120.200 0.185 0.000 2.152 344 E HA 0.367 4.721 4.350 0.008 0.000 0.285 344 E C -0.641 176.039 176.600 0.133 0.000 1.043 344 E CA -0.475 56.019 56.400 0.157 0.000 0.839 344 E CB 0.791 30.604 29.700 0.187 0.000 1.069 344 E HN 0.644 nan 8.360 nan 0.000 0.399 345 I N 7.241 127.869 120.570 0.098 0.000 2.243 345 I HA -0.006 4.169 4.170 0.008 0.000 0.297 345 I C 1.055 177.200 176.117 0.046 0.000 1.161 345 I CA -0.040 61.296 61.300 0.059 0.000 1.298 345 I CB 0.313 38.342 38.000 0.048 0.000 1.475 345 I HN 0.655 nan 8.210 nan 0.000 0.561 346 L N 4.122 125.372 121.223 0.046 0.000 2.240 346 L HA 0.033 4.377 4.340 0.008 0.000 0.211 346 L C 0.924 177.805 176.870 0.019 0.000 1.106 346 L CA 0.847 55.712 54.840 0.043 0.000 0.793 346 L CB -0.222 41.869 42.059 0.053 0.000 0.927 346 L HN 0.617 nan 8.230 nan 0.000 0.446 347 N N -0.955 117.744 118.700 -0.002 0.000 2.454 347 N HA 0.051 4.796 4.740 0.008 0.000 0.291 347 N C 0.547 176.039 175.510 -0.030 0.000 1.079 347 N CA 0.111 53.153 53.050 -0.014 0.000 0.893 347 N CB 1.755 40.230 38.487 -0.020 0.000 1.512 347 N HN -0.078 nan 8.380 nan 0.000 0.497 348 T N -0.871 113.670 114.554 -0.022 0.000 3.118 348 T HA -0.032 4.322 4.350 0.008 0.000 0.260 348 T C 0.888 175.562 174.700 -0.044 0.000 1.139 348 T CA 0.712 62.795 62.100 -0.028 0.000 1.085 348 T CB 0.089 68.948 68.868 -0.015 0.000 0.934 348 T HN 0.332 nan 8.240 nan 0.000 0.518 349 D N 1.566 121.938 120.400 -0.046 0.000 2.340 349 D HA 0.249 4.894 4.640 0.008 0.000 0.220 349 D C 1.026 177.282 176.300 -0.074 0.000 1.039 349 D CA 0.031 53.997 54.000 -0.057 0.000 0.866 349 D CB -0.239 40.534 40.800 -0.045 0.000 0.913 349 D HN 0.540 nan 8.370 nan 0.000 0.523 350 A N 1.102 123.868 122.820 -0.090 0.000 3.215 350 A HA 0.166 4.491 4.320 0.008 0.000 0.269 350 A C 1.328 178.813 177.584 -0.166 0.000 1.517 350 A CA -0.364 51.593 52.037 -0.135 0.000 1.221 350 A CB -0.201 18.701 19.000 -0.162 0.000 1.160 350 A HN 0.172 nan 8.150 nan 0.000 0.620 351 E N 0.320 120.443 120.200 -0.129 0.000 2.276 351 E HA -0.005 4.350 4.350 0.008 0.000 0.193 351 E C 1.496 178.009 176.600 -0.146 0.000 0.983 351 E CA 1.155 57.481 56.400 -0.124 0.000 0.861 351 E CB -0.864 28.781 29.700 -0.092 0.000 0.817 351 E HN 0.370 nan 8.360 nan 0.000 0.485 352 G N 2.926 111.646 108.800 -0.134 0.000 2.418 352 G HA2 -0.342 3.623 3.960 0.008 0.000 0.217 352 G HA3 -0.342 3.623 3.960 0.008 0.000 0.217 352 G C 1.878 176.691 174.900 -0.145 0.000 1.158 352 G CA 1.361 46.385 45.100 -0.127 0.000 0.771 352 G HN 0.447 nan 8.290 nan 0.000 0.545 353 R N 0.282 120.678 120.500 -0.173 0.000 2.193 353 R HA 0.126 4.471 4.340 0.008 0.000 0.229 353 R C 2.229 178.449 176.300 -0.133 0.000 1.110 353 R CA 0.994 56.989 56.100 -0.175 0.000 0.988 353 R CB -0.576 29.500 30.300 -0.374 0.000 0.871 353 R HN 0.396 nan 8.270 nan 0.000 0.458 354 L N 1.570 122.687 121.223 -0.178 0.000 2.044 354 L HA -0.090 4.255 4.340 0.008 0.000 0.205 354 L C 2.742 179.521 176.870 -0.151 0.000 1.075 354 L CA 1.081 55.864 54.840 -0.095 0.000 0.747 354 L CB -0.531 41.487 42.059 -0.068 0.000 0.903 354 L HN 0.150 nan 8.230 nan 0.000 0.435 355 V N -2.364 117.377 119.914 -0.288 0.000 2.515 355 V HA -0.188 3.937 4.120 0.008 0.000 0.250 355 V C 2.211 178.027 176.094 -0.464 0.000 1.058 355 V CA 1.235 63.149 62.300 -0.644 0.000 1.064 355 V CB -0.615 30.582 31.823 -1.044 0.000 0.675 355 V HN 0.329 nan 8.190 nan 0.000 0.461 356 L N 0.915 121.981 121.223 -0.262 0.000 2.093 356 L HA -0.143 4.201 4.340 0.008 0.000 0.208 356 L C 3.066 179.857 176.870 -0.131 0.000 1.085 356 L CA 1.812 56.571 54.840 -0.135 0.000 0.755 356 L CB -0.819 41.212 42.059 -0.048 0.000 0.904 356 L HN 0.709 nan 8.230 nan 0.000 0.435 357 C N -1.394 117.750 119.300 -0.260 0.000 2.429 357 C HA -0.124 4.340 4.460 0.008 0.000 0.277 357 C C 2.235 176.996 174.990 -0.381 0.000 1.262 357 C CA 0.421 59.040 59.018 -0.665 0.000 1.733 357 C CB -0.837 25.939 27.740 -1.606 0.000 2.010 357 C HN 0.472 nan 8.230 nan 0.000 0.483 358 D N 0.843 121.160 120.400 -0.138 0.000 2.183 358 D HA -0.040 4.605 4.640 0.008 0.000 0.203 358 D C 2.351 178.771 176.300 0.201 0.000 0.969 358 D CA 1.852 55.909 54.000 0.095 0.000 0.842 358 D CB -0.384 40.553 40.800 0.227 0.000 0.957 358 D HN 0.580 nan 8.370 nan 0.000 0.484 359 T N 1.007 115.663 114.554 0.170 0.000 2.904 359 T HA 0.009 4.364 4.350 0.008 0.000 0.267 359 T C 2.246 177.108 174.700 0.269 0.000 1.059 359 T CA 0.258 62.500 62.100 0.237 0.000 1.137 359 T CB -0.034 68.923 68.868 0.149 0.000 0.879 359 T HN 0.108 nan 8.240 nan 0.000 0.467 360 L N 0.921 122.261 121.223 0.194 0.000 2.042 360 L HA -0.142 4.203 4.340 0.008 0.000 0.210 360 L C 2.876 179.944 176.870 0.330 0.000 1.076 360 L CA 1.235 56.238 54.840 0.271 0.000 0.749 360 L CB -1.088 41.073 42.059 0.170 0.000 0.893 360 L HN 0.276 nan 8.230 nan 0.000 0.432 361 T N -1.585 113.125 114.554 0.260 0.000 2.777 361 T HA -0.244 4.111 4.350 0.008 0.000 0.266 361 T C 1.704 176.553 174.700 0.248 0.000 1.040 361 T CA 1.235 63.474 62.100 0.232 0.000 1.141 361 T CB -0.393 68.604 68.868 0.215 0.000 0.868 361 T HN 0.286 nan 8.240 nan 0.000 0.444 362 Y N 2.088 122.492 120.300 0.174 0.000 2.207 362 Y HA -0.104 4.450 4.550 0.008 0.000 0.287 362 Y C 2.488 178.514 175.900 0.210 0.000 1.156 362 Y CA 0.922 59.120 58.100 0.163 0.000 1.182 362 Y CB -0.535 38.038 38.460 0.189 0.000 0.979 362 Y HN 0.202 nan 8.280 nan 0.000 0.521 363 A N 0.012 123.073 122.820 0.403 0.000 2.125 363 A HA -0.187 4.138 4.320 0.008 0.000 0.219 363 A C 1.987 179.760 177.584 0.314 0.000 1.156 363 A CA 1.602 53.893 52.037 0.423 0.000 0.671 363 A CB -0.645 18.515 19.000 0.267 0.000 0.794 363 A HN 0.662 nan 8.150 nan 0.000 0.459 364 E N -0.054 120.310 120.200 0.274 0.000 2.160 364 E HA -0.257 4.098 4.350 0.008 0.000 0.195 364 E C 2.172 178.780 176.600 0.013 0.000 0.991 364 E CA 1.327 57.866 56.400 0.231 0.000 0.810 364 E CB -0.260 29.517 29.700 0.129 0.000 0.742 364 E HN 0.839 nan 8.360 nan 0.000 0.466 365 R N 0.446 120.806 120.500 -0.234 0.000 2.159 365 R HA -0.140 4.205 4.340 0.008 0.000 0.237 365 R C 1.498 177.518 176.300 -0.467 0.000 1.131 365 R CA 1.376 57.207 56.100 -0.448 0.000 0.982 365 R CB -0.516 29.344 30.300 -0.733 0.000 0.868 365 R HN 0.126 nan 8.270 nan 0.000 0.453 366 F N 1.216 121.136 119.950 -0.050 0.000 2.710 366 F HA 0.226 4.758 4.527 0.008 0.000 0.298 366 F C 0.314 176.097 175.800 -0.030 0.000 1.137 366 F CA 0.210 58.188 58.000 -0.037 0.000 1.444 366 F CB -0.040 38.943 39.000 -0.029 0.000 1.111 366 F HN -0.097 nan 8.300 nan 0.000 0.580 367 K N 0.134 120.599 120.400 0.108 0.000 3.419 367 K HA -0.169 4.156 4.320 0.008 0.000 0.272 367 K C -2.701 173.936 176.600 0.062 0.000 0.973 367 K CA -0.065 56.269 56.287 0.078 0.000 0.749 367 K CB -1.582 30.938 32.500 0.033 0.000 1.403 367 K HN 0.192 nan 8.250 nan 0.000 0.456 368 P HA -0.038 nan 4.420 nan 0.000 0.279 368 P C 0.232 177.499 177.300 -0.055 0.000 1.252 368 P CA -0.258 62.819 63.100 -0.038 0.000 0.811 368 P CB 0.872 32.509 31.700 -0.105 0.000 1.035 369 Q N 1.082 120.780 119.800 -0.170 0.000 2.389 369 Q HA 0.288 4.633 4.340 0.008 0.000 0.204 369 Q C 0.041 176.024 176.000 -0.029 0.000 0.944 369 Q CA 0.281 56.001 55.803 -0.139 0.000 0.908 369 Q CB 0.165 28.745 28.738 -0.264 0.000 1.002 369 Q HN 0.439 nan 8.270 nan 0.000 0.493 370 A N 0.264 123.068 122.820 -0.027 0.000 2.566 370 A HA 0.588 4.912 4.320 0.008 0.000 0.297 370 A C -1.510 176.103 177.584 0.049 0.000 1.059 370 A CA -0.656 51.456 52.037 0.125 0.000 0.691 370 A CB 2.183 21.397 19.000 0.356 0.000 1.282 370 A HN 0.054 nan 8.150 nan 0.000 0.401 371 V N 2.809 122.739 119.914 0.027 0.000 2.483 371 V HA 0.535 4.659 4.120 0.008 0.000 0.297 371 V C -0.685 175.476 176.094 0.112 0.000 1.027 371 V CA -0.168 62.122 62.300 -0.016 0.000 0.855 371 V CB 1.440 33.066 31.823 -0.329 0.000 0.995 371 V HN 0.712 nan 8.190 nan 0.000 0.424 372 I N 4.890 125.491 120.570 0.051 0.000 2.418 372 I HA 0.435 4.610 4.170 0.008 0.000 0.287 372 I C -0.905 175.243 176.117 0.050 0.000 1.008 372 I CA -0.597 60.682 61.300 -0.035 0.000 1.104 372 I CB 2.049 39.960 38.000 -0.148 0.000 1.264 372 I HN 0.683 nan 8.210 nan 0.000 0.438 373 D N 7.353 127.821 120.400 0.113 0.000 2.177 373 D HA 0.581 5.226 4.640 0.008 0.000 0.247 373 D C -0.682 175.686 176.300 0.113 0.000 1.063 373 D CA -0.328 53.783 54.000 0.185 0.000 0.867 373 D CB 1.919 42.943 40.800 0.373 0.000 1.168 373 D HN 0.197 nan 8.370 nan 0.000 0.445 374 I N 1.029 121.643 120.570 0.074 0.000 2.466 374 I HA 0.669 4.844 4.170 0.008 0.000 0.289 374 I C -0.464 175.682 176.117 0.048 0.000 1.026 374 I CA -0.528 60.782 61.300 0.017 0.000 1.078 374 I CB 1.947 39.936 38.000 -0.018 0.000 1.249 374 I HN 0.701 nan 8.210 nan 0.000 0.429 375 A N 2.646 125.494 122.820 0.046 0.000 2.566 375 A HA 0.666 4.991 4.320 0.008 0.000 0.297 375 A C -0.284 177.336 177.584 0.060 0.000 1.059 375 A CA -0.683 51.398 52.037 0.074 0.000 0.691 375 A CB 1.190 20.276 19.000 0.143 0.000 1.282 375 A HN 0.668 nan 8.150 nan 0.000 0.401 376 T N 1.215 115.818 114.554 0.081 0.000 4.104 376 T HA 0.317 4.672 4.350 0.008 0.000 0.285 376 T C 0.674 175.423 174.700 0.082 0.000 1.346 376 T CA 0.002 62.169 62.100 0.112 0.000 1.158 376 T CB -0.322 68.696 68.868 0.249 0.000 1.290 376 T HN 0.536 nan 8.240 nan 0.000 0.975 377 L N 2.558 123.817 121.223 0.061 0.000 2.253 377 L HA 0.319 4.663 4.340 0.008 0.000 0.205 377 L C 1.090 177.979 176.870 0.031 0.000 1.078 377 L CA 1.050 55.927 54.840 0.062 0.000 0.805 377 L CB 0.246 42.391 42.059 0.143 0.000 0.963 377 L HN 0.827 nan 8.230 nan 0.000 0.459 378 T N -4.840 109.725 114.554 0.017 0.000 2.921 378 T HA 0.485 4.840 4.350 0.008 0.000 0.297 378 T C 0.909 175.595 174.700 -0.024 0.000 1.013 378 T CA -0.316 61.783 62.100 -0.002 0.000 0.990 378 T CB 1.332 70.202 68.868 0.002 0.000 1.023 378 T HN 0.084 nan 8.240 nan 0.000 0.447 379 G N 1.383 110.170 108.800 -0.022 0.000 2.450 379 G HA2 -0.009 3.956 3.960 0.008 0.000 0.220 379 G HA3 -0.009 3.956 3.960 0.008 0.000 0.220 379 G C 1.638 176.511 174.900 -0.046 0.000 1.130 379 G CA 0.764 45.843 45.100 -0.036 0.000 0.760 379 G HN 1.201 nan 8.290 nan 0.000 0.557 380 A N -0.145 122.654 122.820 -0.034 0.000 1.978 380 A HA -0.157 4.168 4.320 0.008 0.000 0.220 380 A C 2.537 180.091 177.584 -0.049 0.000 1.170 380 A CA 1.773 53.789 52.037 -0.035 0.000 0.636 380 A CB -1.126 17.860 19.000 -0.024 0.000 0.810 380 A HN 0.486 nan 8.150 nan 0.000 0.448 381 C N -0.592 118.675 119.300 -0.055 0.000 2.435 381 C HA -0.008 4.457 4.460 0.008 0.000 0.279 381 C C 2.532 177.464 174.990 -0.097 0.000 1.321 381 C CA 0.918 59.894 59.018 -0.071 0.000 1.752 381 C CB -1.405 26.289 27.740 -0.076 0.000 1.959 381 C HN 0.610 nan 8.230 nan 0.000 0.500 382 I N 0.012 120.515 120.570 -0.112 0.000 2.353 382 I HA -0.115 4.060 4.170 0.008 0.000 0.248 382 I C 2.417 178.469 176.117 -0.108 0.000 1.119 382 I CA 1.124 62.341 61.300 -0.139 0.000 1.417 382 I CB -0.525 37.376 38.000 -0.164 0.000 1.078 382 I HN 0.119 nan 8.210 nan 0.000 0.421 383 V N 1.195 121.060 119.914 -0.081 0.000 2.407 383 V HA -0.260 3.865 4.120 0.008 0.000 0.248 383 V C 2.692 178.748 176.094 -0.064 0.000 1.055 383 V CA 2.069 64.330 62.300 -0.064 0.000 1.049 383 V CB -0.867 30.929 31.823 -0.046 0.000 0.662 383 V HN 0.491 nan 8.190 nan 0.000 0.455 384 A N -1.080 121.701 122.820 -0.065 0.000 1.898 384 A HA 0.081 4.406 4.320 0.008 0.000 0.214 384 A C 1.979 179.511 177.584 -0.086 0.000 1.183 384 A CA 1.391 53.390 52.037 -0.063 0.000 0.622 384 A CB -0.117 18.854 19.000 -0.049 0.000 0.824 384 A HN 0.501 nan 8.150 nan 0.000 0.444 385 L N -2.443 118.723 121.223 -0.095 0.000 3.217 385 L HA 0.366 4.710 4.340 0.008 0.000 0.288 385 L C 1.255 178.057 176.870 -0.114 0.000 1.202 385 L CA 0.146 54.921 54.840 -0.109 0.000 1.027 385 L CB 0.344 42.354 42.059 -0.082 0.000 1.427 385 L HN 0.606 nan 8.230 nan 0.000 0.600 386 G N 0.696 109.419 108.800 -0.130 0.000 2.569 386 G HA2 -0.328 3.637 3.960 0.008 0.000 0.259 386 G HA3 -0.328 3.637 3.960 0.008 0.000 0.259 386 G C 0.578 175.329 174.900 -0.250 0.000 1.263 386 G CA 0.206 45.205 45.100 -0.168 0.000 0.928 386 G HN 0.111 nan 8.290 nan 0.000 0.572 387 S N 0.113 115.581 115.700 -0.387 0.000 2.558 387 S HA 0.123 4.598 4.470 0.008 0.000 0.217 387 S C 1.462 175.753 174.600 -0.514 0.000 0.975 387 S CA 1.091 58.983 58.200 -0.514 0.000 0.912 387 S CB -0.115 62.692 63.200 -0.654 0.000 0.776 387 S HN 0.583 nan 8.310 nan 0.000 0.526 388 H N 0.780 119.775 119.070 -0.126 0.000 2.639 388 H HA 0.267 4.828 4.556 0.008 0.000 0.267 388 H C 0.007 175.284 175.328 -0.086 0.000 0.958 388 H CA 0.668 56.654 56.048 -0.103 0.000 1.221 388 H CB 0.522 30.226 29.762 -0.097 0.000 1.446 388 H HN 0.206 nan 8.280 nan 0.000 0.512 389 T N 1.097 115.648 114.554 -0.006 0.000 2.928 389 T HA 0.237 4.592 4.350 0.008 0.000 0.296 389 T C -0.012 174.671 174.700 -0.029 0.000 1.000 389 T CA -0.604 61.499 62.100 0.005 0.000 0.989 389 T CB 2.653 71.529 68.868 0.014 0.000 1.005 389 T HN -0.087 nan 8.240 nan 0.000 0.442 390 T N 2.617 117.154 114.554 -0.028 0.000 2.907 390 T HA 0.473 4.828 4.350 0.008 0.000 0.298 390 T C 0.990 175.661 174.700 -0.047 0.000 1.017 390 T CA -0.363 61.697 62.100 -0.066 0.000 1.118 390 T CB 0.691 69.510 68.868 -0.081 0.000 0.948 390 T HN 0.747 nan 8.240 nan 0.000 0.531 391 G N 1.697 110.444 108.800 -0.088 0.000 2.432 391 G HA2 0.507 4.472 3.960 0.008 0.000 0.257 391 G HA3 0.507 4.472 3.960 0.008 0.000 0.257 391 G C -1.061 173.742 174.900 -0.162 0.000 1.238 391 G CA -0.331 44.720 45.100 -0.082 0.000 0.838 391 G HN 0.584 nan 8.290 nan 0.000 0.547 392 L N 1.968 123.107 121.223 -0.139 0.000 2.410 392 L HA 0.837 5.182 4.340 0.008 0.000 0.270 392 L C -0.457 176.297 176.870 -0.194 0.000 0.983 392 L CA -0.682 54.033 54.840 -0.208 0.000 0.822 392 L CB 2.002 43.949 42.059 -0.186 0.000 1.285 392 L HN 0.588 nan 8.230 nan 0.000 0.409 393 M N 3.113 122.577 119.600 -0.226 0.000 2.658 393 M HA 0.932 5.417 4.480 0.008 0.000 0.295 393 M C -0.134 175.956 176.300 -0.351 0.000 1.248 393 M CA -0.316 54.871 55.300 -0.189 0.000 0.843 393 M CB 2.581 35.159 32.600 -0.036 0.000 1.749 393 M HN 0.744 nan 8.290 nan 0.000 0.464 394 G N 0.350 108.992 108.800 -0.263 0.000 2.430 394 G HA2 0.325 4.289 3.960 0.008 0.000 0.300 394 G HA3 0.325 4.289 3.960 0.008 0.000 0.300 394 G C -1.326 173.602 174.900 0.046 0.000 1.330 394 G CA -0.610 44.275 45.100 -0.358 0.000 0.813 394 G HN 0.781 nan 8.290 nan 0.000 0.487 395 N N -0.736 118.105 118.700 0.234 0.000 2.187 395 N HA 0.177 4.922 4.740 0.008 0.000 0.212 395 N C -0.122 175.497 175.510 0.181 0.000 1.152 395 N CA -0.382 52.843 53.050 0.292 0.000 0.872 395 N CB 0.714 39.448 38.487 0.411 0.000 1.025 395 N HN 0.378 nan 8.380 nan 0.000 0.514 396 N N 0.267 119.039 118.700 0.120 0.000 2.519 396 N HA 0.105 4.850 4.740 0.008 0.000 0.291 396 N C -0.782 174.753 175.510 0.043 0.000 1.107 396 N CA -0.252 52.853 53.050 0.091 0.000 0.904 396 N CB 1.885 40.443 38.487 0.118 0.000 1.500 396 N HN -0.120 nan 8.380 nan 0.000 0.510 397 D N 1.709 122.133 120.400 0.040 0.000 2.224 397 D HA -0.048 4.597 4.640 0.008 0.000 0.205 397 D C 0.619 176.926 176.300 0.011 0.000 0.965 397 D CA 1.060 55.068 54.000 0.012 0.000 0.852 397 D CB 0.511 41.322 40.800 0.017 0.000 0.947 397 D HN 0.530 nan 8.370 nan 0.000 0.494 398 D N -0.175 120.246 120.400 0.034 0.000 2.117 398 D HA -0.129 4.516 4.640 0.008 0.000 0.198 398 D C 2.106 178.440 176.300 0.057 0.000 0.982 398 D CA 0.366 54.392 54.000 0.044 0.000 0.828 398 D CB -0.225 40.611 40.800 0.059 0.000 0.967 398 D HN 0.235 nan 8.370 nan 0.000 0.464 399 L N 0.985 122.247 121.223 0.064 0.000 2.017 399 L HA -0.128 4.217 4.340 0.008 0.000 0.208 399 L C 2.252 179.110 176.870 -0.020 0.000 1.073 399 L CA 1.341 56.219 54.840 0.063 0.000 0.745 399 L CB -0.605 41.489 42.059 0.057 0.000 0.894 399 L HN -0.156 nan 8.230 nan 0.000 0.432 400 V N 0.308 120.189 119.914 -0.056 0.000 2.332 400 V HA -0.245 3.880 4.120 0.008 0.000 0.248 400 V C 2.625 178.666 176.094 -0.089 0.000 1.055 400 V CA 1.865 64.100 62.300 -0.108 0.000 1.038 400 V CB -1.645 30.108 31.823 -0.118 0.000 0.651 400 V HN 0.652 nan 8.190 nan 0.000 0.450 401 G N -1.387 107.382 108.800 -0.051 0.000 2.422 401 G HA2 -0.267 3.697 3.960 0.008 0.000 0.218 401 G HA3 -0.267 3.697 3.960 0.008 0.000 0.218 401 G C 1.498 176.393 174.900 -0.008 0.000 1.146 401 G CA 0.740 45.815 45.100 -0.042 0.000 0.769 401 G HN 0.545 nan 8.290 nan 0.000 0.547 402 Q N -0.394 119.430 119.800 0.040 0.000 2.124 402 Q HA 0.058 4.403 4.340 0.008 0.000 0.202 402 Q C 2.629 178.696 176.000 0.113 0.000 0.977 402 Q CA 0.796 56.666 55.803 0.111 0.000 0.850 402 Q CB -0.195 28.686 28.738 0.238 0.000 0.901 402 Q HN 0.453 nan 8.270 nan 0.000 0.429 403 L N 0.057 121.284 121.223 0.006 0.000 2.056 403 L HA -0.177 4.168 4.340 0.008 0.000 0.207 403 L C 2.231 179.071 176.870 -0.049 0.000 1.078 403 L CA 0.799 55.594 54.840 -0.075 0.000 0.749 403 L CB -0.348 41.579 42.059 -0.220 0.000 0.901 403 L HN 0.237 nan 8.230 nan 0.000 0.433 404 L N -0.328 120.856 121.223 -0.065 0.000 2.046 404 L HA -0.257 4.087 4.340 0.008 0.000 0.208 404 L C 2.230 179.087 176.870 -0.021 0.000 1.077 404 L CA 1.487 56.289 54.840 -0.064 0.000 0.747 404 L CB -0.524 41.463 42.059 -0.119 0.000 0.896 404 L HN 0.280 nan 8.230 nan 0.000 0.432 405 D N -0.197 120.200 120.400 -0.005 0.000 2.117 405 D HA -0.162 4.483 4.640 0.008 0.000 0.197 405 D C 2.169 178.489 176.300 0.034 0.000 0.987 405 D CA 1.287 55.297 54.000 0.015 0.000 0.829 405 D CB 0.113 40.926 40.800 0.021 0.000 0.961 405 D HN 0.253 nan 8.370 nan 0.000 0.460 406 A N 0.009 122.858 122.820 0.049 0.000 1.908 406 A HA -0.035 4.290 4.320 0.008 0.000 0.218 406 A C 2.364 179.973 177.584 0.042 0.000 1.181 406 A CA 2.065 54.137 52.037 0.059 0.000 0.627 406 A CB -1.314 17.747 19.000 0.102 0.000 0.818 406 A HN 0.364 nan 8.150 nan 0.000 0.445 407 G N -0.644 108.171 108.800 0.024 0.000 2.422 407 G HA2 -0.182 3.782 3.960 0.008 0.000 0.218 407 G HA3 -0.182 3.782 3.960 0.008 0.000 0.218 407 G C 1.669 176.588 174.900 0.033 0.000 1.140 407 G CA 1.045 46.157 45.100 0.020 0.000 0.775 407 G HN 0.583 nan 8.290 nan 0.000 0.545 408 K N -0.029 120.393 120.400 0.037 0.000 2.025 408 K HA 0.025 4.350 4.320 0.008 0.000 0.207 408 K C 2.684 179.312 176.600 0.046 0.000 1.049 408 K CA 0.786 57.099 56.287 0.044 0.000 0.933 408 K CB -0.140 32.385 32.500 0.042 0.000 0.714 408 K HN 0.107 nan 8.250 nan 0.000 0.438 409 R N 0.133 120.664 120.500 0.052 0.000 2.148 409 R HA -0.021 4.324 4.340 0.008 0.000 0.227 409 R C 2.018 178.358 176.300 0.067 0.000 1.103 409 R CA 1.042 57.183 56.100 0.068 0.000 0.983 409 R CB -0.069 30.282 30.300 0.086 0.000 0.874 409 R HN 0.157 nan 8.270 nan 0.000 0.451 410 A N 0.790 123.642 122.820 0.053 0.000 2.218 410 A HA -0.056 4.268 4.320 0.008 0.000 0.209 410 A C 0.305 177.908 177.584 0.032 0.000 1.168 410 A CA 0.435 52.497 52.037 0.042 0.000 0.804 410 A CB 0.089 19.109 19.000 0.034 0.000 0.834 410 A HN 0.366 nan 8.150 nan 0.000 0.482 411 D N -0.620 119.801 120.400 0.035 0.000 2.697 411 D HA -0.174 4.470 4.640 0.008 0.000 0.238 411 D C -0.576 175.736 176.300 0.020 0.000 1.152 411 D CA 1.258 55.276 54.000 0.030 0.000 0.666 411 D CB -1.197 39.623 40.800 0.033 0.000 1.037 411 D HN 0.412 nan 8.370 nan 0.000 0.423 412 D N 0.361 120.773 120.400 0.019 0.000 2.621 412 D HA 0.229 4.874 4.640 0.008 0.000 0.274 412 D C -0.231 176.076 176.300 0.010 0.000 1.215 412 D CA -0.453 53.551 54.000 0.007 0.000 0.810 412 D CB 0.152 40.951 40.800 -0.002 0.000 1.248 412 D HN 0.246 nan 8.370 nan 0.000 0.517 413 R N 0.589 121.104 120.500 0.026 0.000 2.582 413 R HA 0.734 5.078 4.340 0.008 0.000 0.271 413 R C 0.047 176.375 176.300 0.046 0.000 1.078 413 R CA -0.314 55.815 56.100 0.048 0.000 1.127 413 R CB 1.389 31.738 30.300 0.080 0.000 1.038 413 R HN 0.307 nan 8.270 nan 0.000 0.500 414 A N 2.035 124.891 122.820 0.059 0.000 2.387 414 A HA 0.659 4.984 4.320 0.008 0.000 0.298 414 A C -1.775 175.917 177.584 0.179 0.000 1.165 414 A CA -0.590 51.483 52.037 0.060 0.000 0.814 414 A CB 1.662 20.643 19.000 -0.032 0.000 1.357 414 A HN 0.741 nan 8.150 nan 0.000 0.443 415 W N 0.824 122.072 121.300 -0.086 0.000 3.439 415 W HA 0.337 5.002 4.660 0.008 0.000 0.323 415 W C -1.170 175.294 176.519 -0.092 0.000 1.174 415 W CA -0.183 57.117 57.345 -0.075 0.000 1.224 415 W CB 1.486 30.908 29.460 -0.063 0.000 1.348 415 W HN 0.931 nan 8.180 nan 0.000 0.498 416 Q N 3.906 123.410 119.800 -0.494 0.000 2.327 416 Q HA 0.434 4.779 4.340 0.008 0.000 0.254 416 Q C -1.022 174.884 176.000 -0.155 0.000 0.952 416 Q CA 0.209 55.829 55.803 -0.305 0.000 0.884 416 Q CB 1.049 29.576 28.738 -0.352 0.000 1.224 416 Q HN 0.548 nan 8.270 nan 0.000 0.422 417 L N 5.306 126.464 121.223 -0.109 0.000 2.341 417 L HA 0.635 4.980 4.340 0.008 0.000 0.267 417 L C -2.201 174.549 176.870 -0.200 0.000 1.009 417 L CA -2.315 52.461 54.840 -0.106 0.000 0.819 417 L CB 2.056 44.065 42.059 -0.084 0.000 1.323 417 L HN 0.649 nan 8.230 nan 0.000 0.425 418 P HA 0.237 nan 4.420 nan 0.000 0.286 418 P C -0.746 176.313 177.300 -0.402 0.000 1.261 418 P CA -0.359 62.429 63.100 -0.520 0.000 0.821 418 P CB 1.332 32.310 31.700 -1.202 0.000 1.013 419 L N 2.612 123.724 121.223 -0.185 0.000 3.048 419 L HA 0.289 4.634 4.340 0.008 0.000 0.234 419 L C 0.162 177.180 176.870 0.248 0.000 1.318 419 L CA -0.714 54.148 54.840 0.037 0.000 1.109 419 L CB -0.675 41.462 42.059 0.130 0.000 1.480 419 L HN 0.172 nan 8.230 nan 0.000 0.495 420 F N 0.360 120.520 119.950 0.350 0.000 2.595 420 F HA -0.074 4.458 4.527 0.008 0.000 0.359 420 F C 1.675 177.609 175.800 0.222 0.000 1.147 420 F CA -0.236 57.923 58.000 0.264 0.000 1.341 420 F CB 0.240 39.366 39.000 0.209 0.000 1.104 420 F HN 0.199 nan 8.300 nan 0.000 0.603 421 D N 0.959 121.540 120.400 0.303 0.000 2.218 421 D HA -0.167 4.478 4.640 0.008 0.000 0.204 421 D C 1.623 177.992 176.300 0.114 0.000 0.976 421 D CA 1.340 55.441 54.000 0.169 0.000 0.853 421 D CB 0.193 41.046 40.800 0.088 0.000 0.939 421 D HN 0.566 nan 8.370 nan 0.000 0.481 422 E N -0.944 119.281 120.200 0.043 0.000 2.209 422 E HA -0.182 4.173 4.350 0.008 0.000 0.196 422 E C 1.388 177.936 176.600 -0.086 0.000 0.993 422 E CA 0.868 57.217 56.400 -0.086 0.000 0.819 422 E CB -0.311 29.257 29.700 -0.220 0.000 0.745 422 E HN 0.562 nan 8.360 nan 0.000 0.477 423 Y N 0.629 121.006 120.300 0.128 0.000 2.509 423 Y HA -0.063 4.491 4.550 0.008 0.000 0.293 423 Y C 2.124 178.075 175.900 0.086 0.000 1.133 423 Y CA 0.630 58.792 58.100 0.102 0.000 1.283 423 Y CB 0.016 38.538 38.460 0.104 0.000 1.001 423 Y HN 0.022 nan 8.280 nan 0.000 0.555 424 Q N 0.326 120.255 119.800 0.215 0.000 2.124 424 Q HA -0.211 4.134 4.340 0.008 0.000 0.202 424 Q C 2.109 178.173 176.000 0.106 0.000 0.977 424 Q CA 1.138 57.029 55.803 0.146 0.000 0.850 424 Q CB -0.266 28.532 28.738 0.099 0.000 0.901 424 Q HN 0.505 nan 8.270 nan 0.000 0.429 425 E N 1.331 121.580 120.200 0.081 0.000 2.267 425 E HA -0.195 4.160 4.350 0.008 0.000 0.197 425 E C 1.579 178.219 176.600 0.067 0.000 0.998 425 E CA 0.873 57.305 56.400 0.054 0.000 0.830 425 E CB 0.131 29.848 29.700 0.029 0.000 0.751 425 E HN 0.470 nan 8.360 nan 0.000 0.491 426 Q N -0.288 119.570 119.800 0.097 0.000 2.291 426 Q HA -0.084 4.260 4.340 0.008 0.000 0.206 426 Q C 2.113 178.172 176.000 0.099 0.000 0.976 426 Q CA 0.873 56.736 55.803 0.100 0.000 0.875 426 Q CB -0.013 28.805 28.738 0.132 0.000 0.927 426 Q HN 0.330 nan 8.270 nan 0.000 0.450 427 L N 0.608 121.900 121.223 0.115 0.000 2.591 427 L HA 0.036 4.380 4.340 0.008 0.000 0.228 427 L C -0.043 176.888 176.870 0.102 0.000 1.133 427 L CA -0.364 54.557 54.840 0.135 0.000 0.880 427 L CB -0.052 42.121 42.059 0.189 0.000 1.033 427 L HN 0.037 nan 8.230 nan 0.000 0.450 428 D N 0.802 121.240 120.400 0.064 0.000 2.488 428 D HA 0.034 4.679 4.640 0.008 0.000 0.238 428 D C 0.250 176.565 176.300 0.024 0.000 1.138 428 D CA 0.530 54.549 54.000 0.032 0.000 0.873 428 D CB 1.109 41.913 40.800 0.007 0.000 1.183 428 D HN -0.083 nan 8.370 nan 0.000 0.458 429 S N 1.495 117.201 115.700 0.009 0.000 2.500 429 S HA 0.475 4.950 4.470 0.008 0.000 0.301 429 S C -1.931 172.588 174.600 -0.134 0.000 1.092 429 S CA -1.500 56.691 58.200 -0.015 0.000 1.030 429 S CB 1.537 64.781 63.200 0.073 0.000 1.031 429 S HN 0.101 nan 8.310 nan 0.000 0.483 430 P HA 0.111 nan 4.420 nan 0.000 0.230 430 P C 0.291 177.224 177.300 -0.610 0.000 1.158 430 P CA 0.845 63.601 63.100 -0.573 0.000 0.769 430 P CB -0.022 31.131 31.700 -0.911 0.000 0.807 431 F N -0.635 119.331 119.950 0.027 0.000 2.537 431 F HA 0.426 4.956 4.527 0.005 0.000 0.277 431 F C 1.581 177.398 175.800 0.027 0.000 1.013 431 F CA -0.163 57.852 58.000 0.026 0.000 1.332 431 F CB -0.905 38.112 39.000 0.029 0.000 1.108 431 F HN -0.188 nan 8.300 nan 0.000 0.679 432 A N -0.123 122.813 122.820 0.194 0.000 2.312 432 A HA 0.436 4.760 4.320 0.008 0.000 0.310 432 A C 0.564 178.193 177.584 0.075 0.000 1.139 432 A CA -0.346 51.772 52.037 0.135 0.000 0.886 432 A CB 0.188 19.281 19.000 0.155 0.000 1.350 432 A HN 0.089 nan 8.150 nan 0.000 0.479 433 D N -0.225 120.208 120.400 0.055 0.000 2.218 433 D HA -0.005 4.640 4.640 0.008 0.000 0.204 433 D C 0.694 177.002 176.300 0.014 0.000 0.976 433 D CA 2.044 56.050 54.000 0.010 0.000 0.853 433 D CB -0.135 40.650 40.800 -0.025 0.000 0.939 433 D HN 0.621 nan 8.370 nan 0.000 0.481 434 M N -2.534 117.107 119.600 0.069 0.000 2.682 434 M HA 0.570 5.055 4.480 0.008 0.000 0.272 434 M C -0.531 175.880 176.300 0.185 0.000 1.232 434 M CA -0.978 54.387 55.300 0.108 0.000 0.849 434 M CB 1.990 34.644 32.600 0.090 0.000 1.695 434 M HN -0.185 nan 8.290 nan 0.000 0.481 435 G N 0.630 109.548 108.800 0.197 0.000 2.488 435 G HA2 0.423 4.388 3.960 0.008 0.000 0.318 435 G HA3 0.423 4.388 3.960 0.008 0.000 0.318 435 G C 0.102 175.173 174.900 0.284 0.000 1.188 435 G CA -0.440 44.785 45.100 0.208 0.000 0.944 435 G HN 0.942 nan 8.290 nan 0.000 0.495 436 N N -0.906 117.879 118.700 0.142 0.000 2.280 436 N HA 0.036 4.780 4.740 0.008 0.000 0.192 436 N C 0.424 175.841 175.510 -0.154 0.000 1.109 436 N CA -0.024 52.956 53.050 -0.117 0.000 0.855 436 N CB -0.037 38.286 38.487 -0.272 0.000 0.974 436 N HN 0.628 nan 8.380 nan 0.000 0.482 437 I N -5.691 114.874 120.570 -0.009 0.000 2.828 437 I HA 0.724 4.899 4.170 0.008 0.000 0.302 437 I C 0.342 176.488 176.117 0.049 0.000 1.101 437 I CA -1.346 59.951 61.300 -0.006 0.000 1.031 437 I CB 2.250 40.245 38.000 -0.010 0.000 1.231 437 I HN -0.211 nan 8.210 nan 0.000 0.427 438 G N 2.083 110.912 108.800 0.049 0.000 3.377 438 G HA2 0.600 4.564 3.960 0.008 0.000 0.257 438 G HA3 0.600 4.564 3.960 0.008 0.000 0.257 438 G C 0.531 175.469 174.900 0.063 0.000 1.038 438 G CA -0.064 45.081 45.100 0.074 0.000 0.809 438 G HN 1.486 nan 8.290 nan 0.000 0.526 439 G N 0.728 109.554 108.800 0.044 0.000 2.660 439 G HA2 -0.088 3.877 3.960 0.008 0.000 0.247 439 G HA3 -0.088 3.877 3.960 0.008 0.000 0.247 439 G C -1.292 173.630 174.900 0.036 0.000 1.328 439 G CA -0.104 45.019 45.100 0.040 0.000 0.884 439 G HN 0.126 nan 8.290 nan 0.000 0.531 440 P HA 0.156 nan 4.420 nan 0.000 0.245 440 P C 0.346 177.667 177.300 0.035 0.000 1.206 440 P CA 0.744 63.861 63.100 0.028 0.000 0.781 440 P CB 0.193 31.907 31.700 0.024 0.000 0.994 441 K N 0.653 121.085 120.400 0.053 0.000 2.183 441 K HA 0.524 4.849 4.320 0.008 0.000 0.274 441 K C 0.281 176.929 176.600 0.080 0.000 1.009 441 K CA -0.278 56.052 56.287 0.072 0.000 0.888 441 K CB 0.964 33.522 32.500 0.097 0.000 1.078 441 K HN -0.071 nan 8.250 nan 0.000 0.459 442 A N 2.347 125.200 122.820 0.054 0.000 2.739 442 A HA -0.176 4.149 4.320 0.008 0.000 0.296 442 A C 1.262 178.822 177.584 -0.039 0.000 1.488 442 A CA 0.808 52.837 52.037 -0.012 0.000 0.746 442 A CB -2.221 16.772 19.000 -0.012 0.000 1.047 442 A HN 1.098 nan 8.150 nan 0.000 0.477 443 G N -0.937 107.855 108.800 -0.015 0.000 2.422 443 G HA2 -0.062 3.903 3.960 0.008 0.000 0.218 443 G HA3 -0.062 3.903 3.960 0.008 0.000 0.218 443 G C 1.369 176.262 174.900 -0.012 0.000 1.146 443 G CA 1.977 47.073 45.100 -0.008 0.000 0.769 443 G HN 0.798 nan 8.290 nan 0.000 0.547 444 T N 1.189 115.727 114.554 -0.026 0.000 2.777 444 T HA -0.002 4.352 4.350 0.008 0.000 0.266 444 T C 2.397 177.095 174.700 -0.003 0.000 1.040 444 T CA 0.842 62.940 62.100 -0.004 0.000 1.141 444 T CB -0.121 68.732 68.868 -0.026 0.000 0.868 444 T HN 0.235 nan 8.240 nan 0.000 0.444 445 I N 1.836 122.346 120.570 -0.099 0.000 2.226 445 I HA -0.188 3.987 4.170 0.008 0.000 0.245 445 I C 2.939 179.012 176.117 -0.072 0.000 1.100 445 I CA 1.576 62.770 61.300 -0.177 0.000 1.374 445 I CB -0.642 37.046 38.000 -0.520 0.000 1.057 445 I HN 0.405 nan 8.210 nan 0.000 0.413 446 T N -0.985 113.549 114.554 -0.034 0.000 2.867 446 T HA -0.033 4.322 4.350 0.008 0.000 0.268 446 T C 1.962 176.730 174.700 0.113 0.000 1.057 446 T CA 0.860 63.001 62.100 0.069 0.000 1.136 446 T CB -0.395 68.528 68.868 0.091 0.000 0.874 446 T HN 0.326 nan 8.240 nan 0.000 0.466 447 A N 1.878 124.743 122.820 0.074 0.000 1.898 447 A HA 0.269 4.594 4.320 0.008 0.000 0.216 447 A C 2.731 180.384 177.584 0.116 0.000 1.181 447 A CA 1.555 53.637 52.037 0.074 0.000 0.620 447 A CB -1.598 17.425 19.000 0.038 0.000 0.819 447 A HN 0.600 nan 8.150 nan 0.000 0.442 448 G N -0.976 107.900 108.800 0.126 0.000 2.422 448 G HA2 -0.263 3.702 3.960 0.008 0.000 0.218 448 G HA3 -0.263 3.702 3.960 0.008 0.000 0.218 448 G C 1.570 176.633 174.900 0.271 0.000 1.146 448 G CA 1.292 46.506 45.100 0.191 0.000 0.769 448 G HN 0.513 nan 8.290 nan 0.000 0.547 449 C N -0.323 119.100 119.300 0.206 0.000 2.429 449 C HA 0.021 4.486 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 0.708 59.840 59.018 0.191 0.000 1.733 449 C CB -1.153 26.694 27.740 0.177 0.000 2.010 449 C HN 0.494 nan 8.230 nan 0.000 0.483 450 F N 1.406 121.406 119.950 0.084 0.000 2.095 450 F HA -0.134 4.397 4.527 0.007 0.000 0.298 450 F C 2.098 177.998 175.800 0.167 0.000 1.104 450 F CA 1.666 59.736 58.000 0.118 0.000 1.232 450 F CB -0.436 38.617 39.000 0.089 0.000 0.987 450 F HN 0.106 nan 8.300 nan 0.000 0.475 451 L N 0.126 121.534 121.223 0.309 0.000 2.131 451 L HA -0.220 4.125 4.340 0.008 0.000 0.210 451 L C 2.741 179.458 176.870 -0.254 0.000 1.092 451 L CA 1.402 56.308 54.840 0.111 0.000 0.759 451 L CB -1.065 41.072 42.059 0.130 0.000 0.903 451 L HN 0.361 nan 8.230 nan 0.000 0.435 452 S N 0.050 115.575 115.700 -0.292 0.000 2.419 452 S HA -0.194 4.281 4.470 0.008 0.000 0.233 452 S C 1.953 176.304 174.600 -0.415 0.000 1.016 452 S CA 0.764 58.631 58.200 -0.554 0.000 0.974 452 S CB -0.399 62.778 63.200 -0.038 0.000 0.786 452 S HN 0.426 nan 8.310 nan 0.000 0.492 453 R N -0.420 119.881 120.500 -0.331 0.000 2.316 453 R HA 0.136 4.481 4.340 0.008 0.000 0.202 453 R C 0.504 176.341 176.300 -0.772 0.000 1.029 453 R CA 0.936 56.715 56.100 -0.534 0.000 1.018 453 R CB -0.287 29.610 30.300 -0.671 0.000 0.888 453 R HN 0.542 nan 8.270 nan 0.000 0.471 454 F N -1.372 118.321 119.950 -0.428 0.000 2.682 454 F HA 0.321 4.853 4.527 0.007 0.000 0.308 454 F C 1.426 176.959 175.800 -0.446 0.000 1.093 454 F CA -0.270 57.514 58.000 -0.361 0.000 1.244 454 F CB 0.762 39.598 39.000 -0.274 0.000 1.052 454 F HN -0.109 nan 8.300 nan 0.000 0.573 455 A N -0.498 122.020 122.820 -0.504 0.000 2.564 455 A HA 0.222 4.547 4.320 0.008 0.000 0.279 455 A C 1.651 178.852 177.584 -0.638 0.000 1.232 455 A CA -0.199 51.409 52.037 -0.715 0.000 0.950 455 A CB -0.299 18.019 19.000 -1.136 0.000 1.138 455 A HN 0.175 nan 8.150 nan 0.000 0.526 456 K N 0.057 120.172 120.400 -0.475 0.000 2.362 456 K HA 0.023 4.348 4.320 0.008 0.000 0.200 456 K C 1.703 178.115 176.600 -0.314 0.000 1.046 456 K CA 0.921 57.022 56.287 -0.310 0.000 0.952 456 K CB -0.039 32.318 32.500 -0.237 0.000 0.753 456 K HN 0.434 nan 8.250 nan 0.000 0.466 457 A N 0.785 123.299 122.820 -0.509 0.000 2.206 457 A HA 0.006 4.330 4.320 0.008 0.000 0.211 457 A C 0.105 177.586 177.584 -0.173 0.000 1.158 457 A CA 0.522 52.357 52.037 -0.337 0.000 0.761 457 A CB -0.322 18.501 19.000 -0.295 0.000 0.801 457 A HN 0.355 nan 8.150 nan 0.000 0.473 458 Y N -3.859 116.473 120.300 0.053 0.000 2.689 458 Y HA 0.472 5.027 4.550 0.008 0.000 0.333 458 Y C -0.907 175.081 175.900 0.146 0.000 1.208 458 Y CA -2.785 55.369 58.100 0.090 0.000 1.055 458 Y CB -0.254 38.266 38.460 0.100 0.000 1.304 458 Y HN 0.026 nan 8.280 nan 0.000 0.455 459 N N 0.769 119.721 118.700 0.420 0.000 2.452 459 N HA 0.292 5.037 4.740 0.008 0.000 0.266 459 N C -1.680 174.109 175.510 0.465 0.000 1.175 459 N CA 0.035 53.293 53.050 0.347 0.000 0.945 459 N CB 0.690 39.310 38.487 0.221 0.000 1.063 459 N HN 0.692 nan 8.380 nan 0.000 0.472 460 W N 3.035 124.469 121.300 0.223 0.000 3.022 460 W HA 0.675 5.340 4.660 0.008 0.000 0.335 460 W C -1.778 174.818 176.519 0.129 0.000 1.133 460 W CA -0.573 56.903 57.345 0.218 0.000 1.219 460 W CB 1.050 30.720 29.460 0.349 0.000 1.409 460 W HN 0.448 nan 8.180 nan 0.000 0.507 461 A N 3.448 125.825 122.820 -0.738 0.000 2.515 461 A HA 0.672 4.997 4.320 0.008 0.000 0.296 461 A C -2.238 174.738 177.584 -1.014 0.000 1.094 461 A CA -0.644 50.826 52.037 -0.946 0.000 0.718 461 A CB 1.669 20.393 19.000 -0.460 0.000 1.307 461 A HN 0.903 nan 8.150 nan 0.000 0.408 462 H N 0.830 119.370 119.070 -0.885 0.000 2.689 462 H HA 0.721 5.282 4.556 0.008 0.000 0.346 462 H C -1.300 173.876 175.328 -0.253 0.000 1.037 462 H CA -0.657 55.136 56.048 -0.427 0.000 1.234 462 H CB 1.033 30.621 29.762 -0.291 0.000 1.572 462 H HN 0.540 nan 8.280 nan 0.000 0.524 463 M N 4.144 123.441 119.600 -0.505 0.000 2.125 463 M HA 0.193 4.678 4.480 0.008 0.000 0.321 463 M C -0.940 175.061 176.300 -0.499 0.000 0.983 463 M CA -0.749 54.280 55.300 -0.451 0.000 0.934 463 M CB 1.534 33.988 32.600 -0.244 0.000 1.542 463 M HN 0.569 nan 8.290 nan 0.000 0.424 464 D N 4.725 124.834 120.400 -0.484 0.000 2.412 464 D HA 0.302 4.947 4.640 0.008 0.000 0.224 464 D C 0.248 176.450 176.300 -0.163 0.000 1.093 464 D CA -0.315 53.519 54.000 -0.276 0.000 0.850 464 D CB 0.787 41.465 40.800 -0.204 0.000 1.046 464 D HN 0.713 nan 8.370 nan 0.000 0.507 465 I N 0.814 121.320 120.570 -0.108 0.000 3.914 465 I HA 0.354 4.529 4.170 0.008 0.000 0.333 465 I C 1.521 177.573 176.117 -0.109 0.000 1.449 465 I CA -0.547 60.695 61.300 -0.097 0.000 1.135 465 I CB 0.568 38.531 38.000 -0.061 0.000 1.073 465 I HN 0.188 nan 8.210 nan 0.000 0.401 466 A N 1.756 124.510 122.820 -0.110 0.000 2.024 466 A HA -0.037 4.288 4.320 0.008 0.000 0.220 466 A C 2.225 179.558 177.584 -0.420 0.000 1.164 466 A CA 1.952 53.889 52.037 -0.167 0.000 0.643 466 A CB -0.980 17.962 19.000 -0.097 0.000 0.806 466 A HN 0.596 nan 8.150 nan 0.000 0.451 467 G N -1.769 106.827 108.800 -0.339 0.000 2.719 467 G HA2 0.121 4.085 3.960 0.008 0.000 0.211 467 G HA3 0.121 4.085 3.960 0.008 0.000 0.211 467 G C 1.392 176.043 174.900 -0.415 0.000 1.140 467 G CA 1.356 46.212 45.100 -0.407 0.000 0.790 467 G HN 0.661 nan 8.290 nan 0.000 0.529 468 T N -2.598 111.772 114.554 -0.306 0.000 3.022 468 T HA 0.479 4.834 4.350 0.008 0.000 0.250 468 T C 2.213 176.794 174.700 -0.197 0.000 1.060 468 T CA 0.989 62.947 62.100 -0.236 0.000 1.013 468 T CB 0.657 69.433 68.868 -0.152 0.000 0.982 468 T HN 0.157 nan 8.240 nan 0.000 0.508 469 A N 0.899 123.611 122.820 -0.180 0.000 2.072 469 A HA 0.501 4.825 4.320 0.008 0.000 0.216 469 A C 0.586 178.199 177.584 0.048 0.000 1.156 469 A CA 0.028 52.062 52.037 -0.005 0.000 0.701 469 A CB -0.511 18.599 19.000 0.182 0.000 0.816 469 A HN 0.878 nan 8.150 nan 0.000 0.458 470 W N -2.670 118.451 121.300 -0.298 0.000 3.074 470 W HA 0.702 5.366 4.660 0.008 0.000 0.332 470 W C -1.621 174.705 176.519 -0.321 0.000 1.253 470 W CA -1.211 55.861 57.345 -0.454 0.000 1.180 470 W CB 0.367 29.267 29.460 -0.932 0.000 1.445 470 W HN -0.131 nan 8.180 nan 0.000 0.573 471 I N 2.848 123.359 120.570 -0.099 0.000 2.359 471 I HA 0.191 4.366 4.170 0.008 0.000 0.294 471 I C 0.842 177.005 176.117 0.076 0.000 0.987 471 I CA -0.439 60.797 61.300 -0.105 0.000 1.225 471 I CB 1.958 39.916 38.000 -0.070 0.000 1.366 471 I HN 0.700 nan 8.210 nan 0.000 0.466 472 S N 3.258 118.975 115.700 0.028 0.000 2.395 472 S HA 0.114 4.589 4.470 0.008 0.000 0.225 472 S C 0.679 175.363 174.600 0.139 0.000 1.027 472 S CA 0.892 59.199 58.200 0.178 0.000 0.965 472 S CB 0.159 63.413 63.200 0.090 0.000 0.812 472 S HN 0.888 nan 8.310 nan 0.000 0.482 473 G N -1.458 107.383 108.800 0.069 0.000 2.827 473 G HA2 0.571 4.535 3.960 0.008 0.000 0.296 473 G HA3 0.571 4.535 3.960 0.008 0.000 0.296 473 G C -0.212 174.711 174.900 0.039 0.000 1.362 473 G CA -0.111 45.024 45.100 0.058 0.000 0.809 473 G HN 0.739 nan 8.290 nan 0.000 0.522 474 G N -0.767 108.054 108.800 0.035 0.000 2.782 474 G HA2 -0.187 3.777 3.960 0.008 0.000 0.228 474 G HA3 -0.187 3.777 3.960 0.008 0.000 0.228 474 G C 0.789 175.712 174.900 0.039 0.000 1.372 474 G CA 0.421 45.539 45.100 0.029 0.000 0.862 474 G HN 0.852 nan 8.290 nan 0.000 0.547 475 K N -0.253 120.168 120.400 0.035 0.000 2.211 475 K HA -0.059 4.265 4.320 0.008 0.000 0.204 475 K C 1.081 177.714 176.600 0.054 0.000 1.047 475 K CA 1.644 57.957 56.287 0.043 0.000 0.935 475 K CB -0.011 32.510 32.500 0.036 0.000 0.728 475 K HN 0.418 nan 8.250 nan 0.000 0.452 476 D N 0.727 121.154 120.400 0.045 0.000 2.368 476 D HA -0.007 4.638 4.640 0.008 0.000 0.218 476 D C -0.102 176.226 176.300 0.047 0.000 1.112 476 D CA 0.059 54.087 54.000 0.046 0.000 0.834 476 D CB 0.139 40.954 40.800 0.024 0.000 0.953 476 D HN 0.074 nan 8.370 nan 0.000 0.505 477 K N 1.089 121.526 120.400 0.062 0.000 2.543 477 K HA 0.200 4.525 4.320 0.008 0.000 0.279 477 K C 0.386 177.036 176.600 0.085 0.000 1.001 477 K CA 0.618 56.954 56.287 0.082 0.000 1.088 477 K CB 0.131 32.697 32.500 0.109 0.000 0.863 477 K HN 0.191 nan 8.250 nan 0.000 0.488 478 G N 1.647 110.466 108.800 0.032 0.000 2.361 478 G HA2 0.304 4.269 3.960 0.008 0.000 0.305 478 G HA3 0.304 4.269 3.960 0.008 0.000 0.305 478 G C -1.284 173.468 174.900 -0.246 0.000 1.367 478 G CA -0.558 44.526 45.100 -0.027 0.000 0.951 478 G HN 0.780 nan 8.290 nan 0.000 0.615 479 A N -0.524 122.124 122.820 -0.287 0.000 2.498 479 A HA 0.571 4.896 4.320 0.008 0.000 0.239 479 A C 1.704 179.174 177.584 -0.189 0.000 1.068 479 A CA 1.461 53.340 52.037 -0.263 0.000 0.766 479 A CB 0.176 19.113 19.000 -0.105 0.000 1.003 479 A HN 2.210 nan 8.150 nan 0.000 0.497 480 T N -0.967 113.500 114.554 -0.145 0.000 3.051 480 T HA 0.392 4.747 4.350 0.008 0.000 0.255 480 T C 1.467 176.086 174.700 -0.135 0.000 1.085 480 T CA 1.103 63.122 62.100 -0.135 0.000 1.109 480 T CB -0.030 68.771 68.868 -0.111 0.000 0.921 480 T HN 2.411 nan 8.240 nan 0.000 0.488 481 G N 1.857 110.588 108.800 -0.115 0.000 2.176 481 G HA2 -0.265 3.700 3.960 0.008 0.000 0.253 481 G HA3 -0.265 3.700 3.960 0.008 0.000 0.253 481 G C 0.240 175.108 174.900 -0.053 0.000 0.979 481 G CA -0.008 45.040 45.100 -0.087 0.000 0.641 481 G HN 0.699 nan 8.290 nan 0.000 0.530 482 R N 0.722 121.189 120.500 -0.056 0.000 2.582 482 R HA 0.430 4.775 4.340 0.008 0.000 0.271 482 R C -2.030 174.248 176.300 -0.037 0.000 1.078 482 R CA -0.964 55.109 56.100 -0.046 0.000 1.127 482 R CB 0.741 31.006 30.300 -0.058 0.000 1.038 482 R HN 0.109 nan 8.270 nan 0.000 0.500 483 P HA 0.092 nan 4.420 nan 0.000 0.231 483 P C 0.538 177.823 177.300 -0.026 0.000 1.833 483 P CA -0.087 62.991 63.100 -0.038 0.000 1.023 483 P CB 0.266 31.934 31.700 -0.053 0.000 1.643 484 V N 1.110 121.014 119.914 -0.017 0.000 2.324 484 V HA -0.181 3.944 4.120 0.008 0.000 0.250 484 V C -0.363 175.730 176.094 -0.001 0.000 1.060 484 V CA 2.449 64.747 62.300 -0.004 0.000 1.042 484 V CB -2.131 29.697 31.823 0.008 0.000 0.650 484 V HN 0.280 nan 8.190 nan 0.000 0.450 485 P HA -0.143 nan 4.420 nan 0.000 0.215 485 P C 2.032 179.336 177.300 0.008 0.000 1.157 485 P CA 1.321 64.424 63.100 0.005 0.000 0.863 485 P CB -0.045 31.657 31.700 0.003 0.000 0.787 486 L N -1.045 120.178 121.223 0.000 0.000 2.012 486 L HA -0.182 4.163 4.340 0.008 0.000 0.210 486 L C 2.246 179.127 176.870 0.018 0.000 1.073 486 L CA 1.706 56.548 54.840 0.004 0.000 0.748 486 L CB -0.753 41.293 42.059 -0.022 0.000 0.891 486 L HN -0.108 nan 8.230 nan 0.000 0.431 487 L N -0.948 120.275 121.223 0.001 0.000 2.093 487 L HA -0.192 4.152 4.340 0.008 0.000 0.208 487 L C 2.469 179.368 176.870 0.048 0.000 1.085 487 L CA 1.670 56.520 54.840 0.018 0.000 0.755 487 L CB -0.801 41.252 42.059 -0.011 0.000 0.904 487 L HN 0.295 nan 8.230 nan 0.000 0.435 488 T N -1.435 113.125 114.554 0.010 0.000 2.777 488 T HA -0.234 4.121 4.350 0.008 0.000 0.266 488 T C 1.786 176.464 174.700 -0.038 0.000 1.040 488 T CA 1.242 63.330 62.100 -0.021 0.000 1.141 488 T CB -0.114 68.741 68.868 -0.022 0.000 0.868 488 T HN 0.185 nan 8.240 nan 0.000 0.444 489 Q N 0.516 120.314 119.800 -0.003 0.000 2.061 489 Q HA -0.164 4.181 4.340 0.008 0.000 0.204 489 Q C 1.940 177.935 176.000 -0.009 0.000 0.984 489 Q CA 1.719 57.521 55.803 -0.001 0.000 0.846 489 Q CB -0.720 28.040 28.738 0.036 0.000 0.902 489 Q HN 0.710 nan 8.270 nan 0.000 0.421 490 Y N -0.028 120.213 120.300 -0.098 0.000 2.165 490 Y HA -0.198 4.357 4.550 0.008 0.000 0.286 490 Y C 1.585 177.361 175.900 -0.206 0.000 1.155 490 Y CA 1.860 59.884 58.100 -0.128 0.000 1.164 490 Y CB -0.172 38.216 38.460 -0.119 0.000 0.978 490 Y HN 0.176 nan 8.280 nan 0.000 0.513 491 L N -0.608 120.446 121.223 -0.281 0.000 2.109 491 L HA -0.188 4.157 4.340 0.008 0.000 0.207 491 L C 2.461 179.116 176.870 -0.357 0.000 1.086 491 L CA 0.890 55.457 54.840 -0.454 0.000 0.760 491 L CB -0.564 41.340 42.059 -0.257 0.000 0.910 491 L HN 0.285 nan 8.230 nan 0.000 0.437 492 L N -0.300 120.776 121.223 -0.244 0.000 2.042 492 L HA -0.262 4.083 4.340 0.008 0.000 0.210 492 L C 2.248 178.997 176.870 -0.201 0.000 1.076 492 L CA 1.210 55.919 54.840 -0.218 0.000 0.749 492 L CB -0.585 41.335 42.059 -0.231 0.000 0.893 492 L HN 0.292 nan 8.230 nan 0.000 0.432 493 D N -0.407 119.863 120.400 -0.217 0.000 2.117 493 D HA -0.140 4.505 4.640 0.008 0.000 0.197 493 D C 2.358 178.516 176.300 -0.235 0.000 0.987 493 D CA 0.924 54.809 54.000 -0.190 0.000 0.829 493 D CB -0.151 40.551 40.800 -0.163 0.000 0.961 493 D HN 0.161 nan 8.370 nan 0.000 0.460 494 R N 0.648 120.902 120.500 -0.410 0.000 2.115 494 R HA 0.068 4.413 4.340 0.008 0.000 0.230 494 R C 1.994 178.188 176.300 -0.177 0.000 1.111 494 R CA 0.810 56.696 56.100 -0.357 0.000 0.976 494 R CB -0.606 29.246 30.300 -0.747 0.000 0.870 494 R HN 0.127 nan 8.270 nan 0.000 0.445 495 A N 0.152 122.862 122.820 -0.184 0.000 2.119 495 A HA 0.190 4.515 4.320 0.008 0.000 0.216 495 A C 1.360 178.914 177.584 -0.050 0.000 1.152 495 A CA 0.966 52.955 52.037 -0.080 0.000 0.708 495 A CB -0.205 18.749 19.000 -0.077 0.000 0.805 495 A HN 0.406 nan 8.150 nan 0.000 0.460 496 G N -1.757 107.000 108.800 -0.071 0.000 2.198 496 G HA2 0.133 4.098 3.960 0.008 0.000 0.257 496 G HA3 0.133 4.098 3.960 0.008 0.000 0.257 496 G C 0.295 175.173 174.900 -0.037 0.000 1.042 496 G CA 0.576 45.647 45.100 -0.048 0.000 0.791 496 G HN 1.499 nan 8.290 nan 0.000 0.502 497 A N 0.000 122.792 122.820 -0.047 0.000 2.254 497 A HA 0.000 4.325 4.320 0.008 0.000 0.244 497 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 497 A CB 0.000 19.004 19.000 0.006 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486