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_E 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 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 E N 3.280 123.486 120.200 0.009 0.000 2.313 2 E HA 0.461 4.811 4.350 0.001 0.000 0.276 2 E C -1.851 174.754 176.600 0.009 0.000 1.031 2 E CA -0.487 55.918 56.400 0.008 0.000 0.857 2 E CB 1.235 30.938 29.700 0.004 0.000 1.040 2 E HN 0.537 nan 8.360 nan 0.000 0.408 3 L N 6.615 127.844 121.223 0.009 0.000 2.372 3 L HA 0.347 4.688 4.340 0.001 0.000 0.273 3 L C -1.069 175.799 176.870 -0.002 0.000 0.989 3 L CA -0.715 54.129 54.840 0.008 0.000 0.841 3 L CB 1.344 43.413 42.059 0.016 0.000 1.225 3 L HN 0.380 nan 8.230 nan 0.000 0.414 4 V N 2.881 122.790 119.914 -0.009 0.000 3.074 4 V HA 0.878 4.999 4.120 0.001 0.000 0.314 4 V C -0.961 175.111 176.094 -0.037 0.000 1.117 4 V CA -0.778 61.510 62.300 -0.020 0.000 1.014 4 V CB 2.142 33.956 31.823 -0.015 0.000 1.057 4 V HN 0.350 nan 8.190 nan 0.000 0.438 5 V N 1.898 121.781 119.914 -0.050 0.000 2.540 5 V HA 0.666 4.786 4.120 0.001 0.000 0.302 5 V C -0.132 175.926 176.094 -0.059 0.000 1.035 5 V CA -0.576 61.678 62.300 -0.077 0.000 0.873 5 V CB 1.576 33.335 31.823 -0.107 0.000 0.992 5 V HN 1.054 nan 8.190 nan 0.000 0.428 6 K N 1.511 121.877 120.400 -0.057 0.000 2.466 6 K HA 0.587 4.908 4.320 0.001 0.000 0.260 6 K C 0.101 176.676 176.600 -0.042 0.000 1.011 6 K CA -0.482 55.780 56.287 -0.041 0.000 0.871 6 K CB 2.283 34.768 32.500 -0.025 0.000 1.404 6 K HN 0.676 nan 8.250 nan 0.000 0.450 7 S N -1.271 114.410 115.700 -0.033 0.000 2.730 7 S HA 0.092 4.562 4.470 0.001 0.000 0.244 7 S C 0.531 175.123 174.600 -0.013 0.000 1.022 7 S CA -0.616 57.567 58.200 -0.028 0.000 1.014 7 S CB -0.443 62.736 63.200 -0.036 0.000 0.963 7 S HN 0.374 nan 8.310 nan 0.000 0.540 8 V N 0.128 120.037 119.914 -0.009 0.000 3.051 8 V HA 0.797 4.918 4.120 0.001 0.000 0.306 8 V C 0.706 176.803 176.094 0.004 0.000 1.083 8 V CA -0.739 61.559 62.300 -0.002 0.000 1.104 8 V CB -0.126 31.695 31.823 -0.002 0.000 1.027 8 V HN 0.492 nan 8.190 nan 0.000 0.483 9 A N 2.757 125.581 122.820 0.007 0.000 2.462 9 A HA 0.625 4.945 4.320 0.001 0.000 0.243 9 A C 1.583 179.175 177.584 0.014 0.000 1.076 9 A CA 0.190 52.234 52.037 0.012 0.000 0.773 9 A CB 0.222 19.228 19.000 0.010 0.000 1.010 9 A HN 1.934 nan 8.150 nan 0.000 0.493 10 A N 2.578 125.409 122.820 0.020 0.000 1.908 10 A HA 0.065 4.386 4.320 0.001 0.000 0.218 10 A C 2.279 179.873 177.584 0.018 0.000 1.181 10 A CA 2.347 54.397 52.037 0.022 0.000 0.627 10 A CB -0.904 18.114 19.000 0.029 0.000 0.818 10 A HN 1.765 nan 8.150 nan 0.000 0.445 11 A N -0.115 122.715 122.820 0.016 0.000 2.121 11 A HA 0.026 4.347 4.320 0.001 0.000 0.218 11 A C 2.321 179.911 177.584 0.010 0.000 1.154 11 A CA 1.932 53.976 52.037 0.013 0.000 0.679 11 A CB -0.639 18.368 19.000 0.012 0.000 0.795 11 A HN 1.000 nan 8.150 nan 0.000 0.458 12 S N -0.446 115.260 115.700 0.009 0.000 2.503 12 S HA 0.134 4.605 4.470 0.001 0.000 0.217 12 S C 0.651 175.254 174.600 0.006 0.000 0.999 12 S CA 0.387 58.591 58.200 0.007 0.000 0.914 12 S CB -0.997 62.206 63.200 0.006 0.000 0.782 12 S HN 0.828 nan 8.310 nan 0.000 0.520 13 V N 0.885 120.803 119.914 0.008 0.000 2.488 13 V HA 0.479 4.600 4.120 0.001 0.000 0.277 13 V C -0.050 176.048 176.094 0.006 0.000 1.046 13 V CA -1.038 61.266 62.300 0.007 0.000 0.986 13 V CB 0.532 32.360 31.823 0.008 0.000 0.989 13 V HN 0.336 nan 8.190 nan 0.000 0.475 14 K N 3.562 123.964 120.400 0.005 0.000 2.349 14 K HA 0.486 4.806 4.320 0.001 0.000 0.288 14 K C -0.168 176.435 176.600 0.005 0.000 1.058 14 K CA 0.188 56.478 56.287 0.004 0.000 0.953 14 K CB 0.503 33.004 32.500 0.003 0.000 0.997 14 K HN 1.079 nan 8.250 nan 0.000 0.477 15 T N 1.817 116.374 114.554 0.006 0.000 2.840 15 T HA 0.416 4.767 4.350 0.001 0.000 0.317 15 T C 0.409 175.112 174.700 0.006 0.000 1.401 15 T CA -0.027 62.076 62.100 0.006 0.000 1.028 15 T CB 1.385 70.258 68.868 0.009 0.000 1.317 15 T HN 0.523 nan 8.240 nan 0.000 0.495 16 A N 1.744 124.567 122.820 0.005 0.000 1.930 16 A HA 0.307 4.628 4.320 0.001 0.000 0.217 16 A C 0.890 178.478 177.584 0.006 0.000 1.175 16 A CA 1.301 53.341 52.037 0.005 0.000 0.627 16 A CB -0.284 18.718 19.000 0.004 0.000 0.815 16 A HN 0.794 nan 8.150 nan 0.000 0.443 17 T N -0.402 114.157 114.554 0.008 0.000 3.109 17 T HA 0.472 4.823 4.350 0.001 0.000 0.311 17 T C -1.278 173.430 174.700 0.014 0.000 1.011 17 T CA -0.412 61.694 62.100 0.010 0.000 1.026 17 T CB 1.553 70.426 68.868 0.009 0.000 1.047 17 T HN 0.240 nan 8.240 nan 0.000 0.448 18 L N 4.661 125.894 121.223 0.016 0.000 2.282 18 L HA 0.767 5.108 4.340 0.001 0.000 0.288 18 L C -0.959 175.927 176.870 0.026 0.000 1.033 18 L CA -0.378 54.475 54.840 0.022 0.000 0.807 18 L CB 1.018 43.089 42.059 0.021 0.000 1.209 18 L HN 0.478 nan 8.230 nan 0.000 0.423 19 V N 6.870 126.804 119.914 0.033 0.000 2.417 19 V HA 0.541 4.662 4.120 0.001 0.000 0.291 19 V C 0.072 176.196 176.094 0.051 0.000 1.024 19 V CA -0.449 61.874 62.300 0.038 0.000 0.861 19 V CB 1.251 33.096 31.823 0.037 0.000 0.985 19 V HN 0.765 nan 8.190 nan 0.000 0.436 20 I N 3.240 123.838 120.570 0.048 0.000 2.828 20 I HA 0.798 4.969 4.170 0.001 0.000 0.302 20 I C -2.889 173.261 176.117 0.055 0.000 1.101 20 I CA -2.635 58.698 61.300 0.055 0.000 1.031 20 I CB 2.925 40.952 38.000 0.043 0.000 1.231 20 I HN 0.356 nan 8.210 nan 0.000 0.427 21 P HA 0.394 nan 4.420 nan 0.000 0.286 21 P C -1.007 176.318 177.300 0.042 0.000 1.261 21 P CA -0.488 62.649 63.100 0.061 0.000 0.821 21 P CB 2.164 33.911 31.700 0.079 0.000 1.013 22 V N 1.949 121.884 119.914 0.036 0.000 2.638 22 V HA 0.585 4.706 4.120 0.001 0.000 0.306 22 V C 0.856 176.964 176.094 0.023 0.000 1.052 22 V CA -0.522 61.793 62.300 0.025 0.000 0.885 22 V CB 1.797 33.632 31.823 0.021 0.000 0.999 22 V HN 0.803 nan 8.190 nan 0.000 0.424 23 G N 2.558 111.368 108.800 0.017 0.000 2.588 23 G HA2 0.463 4.424 3.960 0.001 0.000 0.281 23 G HA3 0.463 4.424 3.960 0.001 0.000 0.281 23 G C -0.175 174.731 174.900 0.010 0.000 1.236 23 G CA -0.462 44.646 45.100 0.013 0.000 0.969 23 G HN 0.720 nan 8.290 nan 0.000 0.504 24 E N 0.260 120.465 120.200 0.008 0.000 2.438 24 E HA -0.034 4.317 4.350 0.001 0.000 0.261 24 E C 0.109 176.712 176.600 0.004 0.000 1.103 24 E CA 0.116 56.519 56.400 0.006 0.000 0.959 24 E CB 0.265 29.967 29.700 0.003 0.000 0.958 24 E HN 0.500 nan 8.360 nan 0.000 0.447 25 N N 1.796 120.498 118.700 0.004 0.000 2.714 25 N HA -0.262 4.479 4.740 0.001 0.000 0.250 25 N C -0.708 174.805 175.510 0.004 0.000 1.117 25 N CA 1.337 54.389 53.050 0.003 0.000 0.719 25 N CB -0.884 37.604 38.487 0.002 0.000 1.081 25 N HN 0.626 nan 8.380 nan 0.000 0.557 26 R N -2.053 118.451 120.500 0.006 0.000 3.770 26 R HA -0.208 4.133 4.340 0.001 0.000 0.305 26 R C 0.102 176.407 176.300 0.007 0.000 1.184 26 R CA 1.296 57.400 56.100 0.007 0.000 0.823 26 R CB -1.465 28.839 30.300 0.006 0.000 1.285 26 R HN 0.424 nan 8.270 nan 0.000 0.499 27 K N 1.737 122.141 120.400 0.007 0.000 2.339 27 K HA 0.253 4.574 4.320 0.001 0.000 0.286 27 K C -0.234 176.371 176.600 0.008 0.000 1.050 27 K CA -0.117 56.173 56.287 0.006 0.000 0.956 27 K CB 0.512 33.014 32.500 0.004 0.000 0.990 27 K HN 0.102 nan 8.250 nan 0.000 0.475 28 L N 3.971 125.199 121.223 0.009 0.000 2.296 28 L HA 0.360 4.701 4.340 0.001 0.000 0.286 28 L C 0.974 177.850 176.870 0.010 0.000 1.023 28 L CA -0.949 53.898 54.840 0.012 0.000 0.812 28 L CB 1.587 43.653 42.059 0.012 0.000 1.223 28 L HN 0.789 nan 8.230 nan 0.000 0.421 29 G N 1.263 110.070 108.800 0.012 0.000 2.683 29 G HA2 0.305 4.266 3.960 0.001 0.000 0.260 29 G HA3 0.305 4.266 3.960 0.001 0.000 0.260 29 G C 1.010 175.918 174.900 0.014 0.000 1.238 29 G CA 0.222 45.328 45.100 0.010 0.000 0.934 29 G HN 0.817 nan 8.290 nan 0.000 0.534 30 A N -0.869 121.959 122.820 0.013 0.000 1.908 30 A HA -0.054 4.266 4.320 0.001 0.000 0.218 30 A C 2.552 180.149 177.584 0.021 0.000 1.181 30 A CA 2.157 54.203 52.037 0.016 0.000 0.627 30 A CB -0.680 18.330 19.000 0.016 0.000 0.818 30 A HN 0.526 nan 8.150 nan 0.000 0.445 31 V N -0.406 119.524 119.914 0.027 0.000 2.307 31 V HA -0.199 3.922 4.120 0.001 0.000 0.245 31 V C 3.055 179.167 176.094 0.030 0.000 1.045 31 V CA 1.908 64.227 62.300 0.032 0.000 1.024 31 V CB -1.180 30.670 31.823 0.045 0.000 0.651 31 V HN 0.620 nan 8.190 nan 0.000 0.449 32 A N -0.249 122.589 122.820 0.029 0.000 1.933 32 A HA -0.255 4.066 4.320 0.001 0.000 0.218 32 A C 2.329 179.925 177.584 0.020 0.000 1.175 32 A CA 2.137 54.190 52.037 0.026 0.000 0.628 32 A CB -0.476 18.540 19.000 0.027 0.000 0.814 32 A HN 0.534 nan 8.150 nan 0.000 0.444 33 K N -0.225 120.186 120.400 0.018 0.000 2.057 33 K HA -0.083 4.238 4.320 0.001 0.000 0.207 33 K C 2.114 178.722 176.600 0.014 0.000 1.049 33 K CA 1.235 57.530 56.287 0.014 0.000 0.931 33 K CB -0.334 32.173 32.500 0.012 0.000 0.714 33 K HN 0.351 nan 8.250 nan 0.000 0.440 34 A N 0.619 123.448 122.820 0.015 0.000 1.933 34 A HA -0.095 4.226 4.320 0.001 0.000 0.218 34 A C 2.197 179.790 177.584 0.015 0.000 1.175 34 A CA 1.567 53.613 52.037 0.014 0.000 0.628 34 A CB -0.539 18.471 19.000 0.016 0.000 0.814 34 A HN 0.180 nan 8.150 nan 0.000 0.444 35 V N 0.530 120.454 119.914 0.017 0.000 2.343 35 V HA -0.249 3.872 4.120 0.001 0.000 0.247 35 V C 2.368 178.471 176.094 0.014 0.000 1.051 35 V CA 2.368 64.678 62.300 0.016 0.000 1.036 35 V CB -0.836 30.999 31.823 0.020 0.000 0.654 35 V HN 0.679 nan 8.190 nan 0.000 0.451 36 D N 0.356 120.764 120.400 0.014 0.000 2.092 36 D HA -0.184 4.457 4.640 0.001 0.000 0.193 36 D C 2.055 178.360 176.300 0.010 0.000 0.994 36 D CA 1.668 55.675 54.000 0.011 0.000 0.828 36 D CB -0.246 40.561 40.800 0.011 0.000 0.963 36 D HN 0.367 nan 8.370 nan 0.000 0.450 37 L N 0.041 121.269 121.223 0.010 0.000 2.042 37 L HA -0.165 4.175 4.340 0.001 0.000 0.210 37 L C 2.646 179.521 176.870 0.008 0.000 1.076 37 L CA 1.289 56.134 54.840 0.008 0.000 0.749 37 L CB -0.658 41.406 42.059 0.008 0.000 0.893 37 L HN 0.078 nan 8.230 nan 0.000 0.432 38 A N 0.010 122.835 122.820 0.009 0.000 2.019 38 A HA -0.187 4.134 4.320 0.001 0.000 0.219 38 A C 2.360 179.949 177.584 0.008 0.000 1.164 38 A CA 1.786 53.828 52.037 0.008 0.000 0.644 38 A CB -0.569 18.436 19.000 0.009 0.000 0.805 38 A HN 0.530 nan 8.150 nan 0.000 0.449 39 S N -0.838 114.867 115.700 0.008 0.000 2.650 39 S HA 0.128 4.599 4.470 0.001 0.000 0.219 39 S C 0.289 174.893 174.600 0.007 0.000 0.960 39 S CA 0.693 58.898 58.200 0.008 0.000 0.925 39 S CB -0.572 62.633 63.200 0.009 0.000 0.775 39 S HN 0.598 nan 8.310 nan 0.000 0.525 40 E N -0.245 119.959 120.200 0.006 0.000 2.637 40 E HA -0.181 4.170 4.350 0.001 0.000 0.265 40 E C 0.745 177.348 176.600 0.005 0.000 1.073 40 E CA 0.273 56.676 56.400 0.005 0.000 0.778 40 E CB -2.095 27.608 29.700 0.005 0.000 1.362 40 E HN 1.016 nan 8.360 nan 0.000 0.413 41 G N -1.257 107.547 108.800 0.006 0.000 2.162 41 G HA2 -0.352 3.609 3.960 0.001 0.000 0.260 41 G HA3 -0.352 3.609 3.960 0.001 0.000 0.260 41 G C 1.013 175.917 174.900 0.006 0.000 0.976 41 G CA 0.745 45.849 45.100 0.006 0.000 0.655 41 G HN 0.888 nan 8.290 nan 0.000 0.533 42 A N -0.246 122.578 122.820 0.006 0.000 1.933 42 A HA 0.224 4.544 4.320 0.001 0.000 0.218 42 A C 2.339 179.927 177.584 0.007 0.000 1.175 42 A CA 1.860 53.901 52.037 0.006 0.000 0.628 42 A CB -0.258 18.746 19.000 0.006 0.000 0.814 42 A HN 0.774 nan 8.150 nan 0.000 0.444 43 I N -0.986 119.589 120.570 0.008 0.000 2.286 43 I HA -0.160 4.011 4.170 0.001 0.000 0.245 43 I C 2.677 178.799 176.117 0.009 0.000 1.104 43 I CA 1.173 62.478 61.300 0.009 0.000 1.397 43 I CB -0.228 37.778 38.000 0.011 0.000 1.072 43 I HN 0.198 nan 8.210 nan 0.000 0.417 44 S N 0.619 116.324 115.700 0.008 0.000 2.370 44 S HA -0.191 4.280 4.470 0.001 0.000 0.226 44 S C 2.226 176.829 174.600 0.006 0.000 1.033 44 S CA 1.454 59.658 58.200 0.007 0.000 1.011 44 S CB -0.306 62.898 63.200 0.007 0.000 0.852 44 S HN 0.535 nan 8.310 nan 0.000 0.457 45 A N 1.201 124.024 122.820 0.006 0.000 1.898 45 A HA -0.062 4.259 4.320 0.001 0.000 0.216 45 A C 2.431 180.018 177.584 0.005 0.000 1.181 45 A CA 1.718 53.758 52.037 0.005 0.000 0.620 45 A CB -1.010 17.992 19.000 0.005 0.000 0.819 45 A HN 0.548 nan 8.150 nan 0.000 0.442 46 V N -1.709 118.208 119.914 0.006 0.000 2.358 46 V HA -0.185 3.936 4.120 0.001 0.000 0.246 46 V C 2.271 178.368 176.094 0.006 0.000 1.047 46 V CA 1.920 64.224 62.300 0.006 0.000 1.035 46 V CB -1.079 30.747 31.823 0.006 0.000 0.658 46 V HN 0.428 nan 8.190 nan 0.000 0.452 47 L N 0.073 121.300 121.223 0.007 0.000 2.127 47 L HA -0.183 4.158 4.340 0.001 0.000 0.211 47 L C 2.874 179.748 176.870 0.005 0.000 1.089 47 L CA 2.316 57.160 54.840 0.007 0.000 0.757 47 L CB -0.698 41.365 42.059 0.008 0.000 0.899 47 L HN 0.386 nan 8.230 nan 0.000 0.434 48 K N 0.315 120.718 120.400 0.005 0.000 2.209 48 K HA -0.164 4.157 4.320 0.001 0.000 0.204 48 K C 2.139 178.741 176.600 0.004 0.000 1.048 48 K CA 1.084 57.374 56.287 0.004 0.000 0.940 48 K CB 0.063 32.565 32.500 0.004 0.000 0.729 48 K HN 0.250 nan 8.250 nan 0.000 0.451 49 R N -0.979 119.523 120.500 0.004 0.000 2.280 49 R HA -0.034 4.307 4.340 0.001 0.000 0.207 49 R C 1.094 177.396 176.300 0.003 0.000 1.043 49 R CA 0.793 56.895 56.100 0.003 0.000 1.006 49 R CB 0.084 30.386 30.300 0.003 0.000 0.885 49 R HN 0.497 nan 8.270 nan 0.000 0.467 50 G N 1.143 109.945 108.800 0.004 0.000 2.143 50 G HA2 -0.243 3.718 3.960 0.001 0.000 0.249 50 G HA3 -0.243 3.718 3.960 0.001 0.000 0.249 50 G C 0.283 175.185 174.900 0.004 0.000 0.981 50 G CA 0.435 45.537 45.100 0.004 0.000 0.665 50 G HN 0.289 nan 8.290 nan 0.000 0.528 51 D N -0.716 119.686 120.400 0.004 0.000 2.219 51 D HA 0.056 4.697 4.640 0.001 0.000 0.205 51 D C 1.252 177.555 176.300 0.004 0.000 0.970 51 D CA 0.747 54.749 54.000 0.004 0.000 0.851 51 D CB 0.194 40.996 40.800 0.004 0.000 0.943 51 D HN 0.491 nan 8.370 nan 0.000 0.488 52 L N 0.333 121.560 121.223 0.005 0.000 2.277 52 L HA 0.475 4.816 4.340 0.001 0.000 0.284 52 L C 0.874 177.748 176.870 0.007 0.000 1.028 52 L CA -0.503 54.341 54.840 0.007 0.000 0.835 52 L CB 1.162 43.227 42.059 0.008 0.000 1.215 52 L HN -0.157 nan 8.230 nan 0.000 0.425 53 A N 3.737 126.560 122.820 0.006 0.000 2.119 53 A HA 0.331 4.652 4.320 0.001 0.000 0.217 53 A C 1.600 179.188 177.584 0.007 0.000 1.153 53 A CA 0.783 52.823 52.037 0.005 0.000 0.692 53 A CB -0.769 18.233 19.000 0.004 0.000 0.799 53 A HN 1.658 nan 8.150 nan 0.000 0.458 54 G N -0.832 107.974 108.800 0.009 0.000 2.136 54 G HA2 -0.254 3.707 3.960 0.001 0.000 0.242 54 G HA3 -0.254 3.707 3.960 0.001 0.000 0.242 54 G C 0.126 175.034 174.900 0.013 0.000 0.989 54 G CA 0.408 45.516 45.100 0.012 0.000 0.682 54 G HN 0.604 nan 8.290 nan 0.000 0.522 55 K N 0.881 121.288 120.400 0.011 0.000 2.355 55 K HA 0.345 4.666 4.320 0.001 0.000 0.270 55 K C -2.213 174.397 176.600 0.016 0.000 1.003 55 K CA -1.557 54.736 56.287 0.011 0.000 0.957 55 K CB 0.552 33.056 32.500 0.006 0.000 0.939 55 K HN -0.028 nan 8.250 nan 0.000 0.482 56 P HA -0.118 nan 4.420 nan 0.000 0.261 56 P C 0.639 177.951 177.300 0.020 0.000 1.183 56 P CA 1.188 64.306 63.100 0.031 0.000 0.761 56 P CB 0.381 32.103 31.700 0.036 0.000 0.785 57 G N 2.457 111.269 108.800 0.020 0.000 2.225 57 G HA2 -0.259 3.701 3.960 0.001 0.000 0.254 57 G HA3 -0.259 3.701 3.960 0.001 0.000 0.254 57 G C 0.244 175.145 174.900 0.002 0.000 0.988 57 G CA -0.281 44.821 45.100 0.003 0.000 0.625 57 G HN 0.556 nan 8.290 nan 0.000 0.527 58 Q N 1.158 120.962 119.800 0.007 0.000 2.421 58 Q HA 0.484 4.825 4.340 0.001 0.000 0.255 58 Q C 0.575 176.579 176.000 0.007 0.000 1.013 58 Q CA 1.100 56.907 55.803 0.006 0.000 0.895 58 Q CB 0.675 29.417 28.738 0.007 0.000 1.271 58 Q HN 0.611 nan 8.270 nan 0.000 0.460 59 T N -0.827 113.730 114.554 0.005 0.000 2.906 59 T HA 0.733 5.084 4.350 0.001 0.000 0.295 59 T C -0.961 173.743 174.700 0.006 0.000 1.061 59 T CA -0.936 61.168 62.100 0.006 0.000 1.000 59 T CB 1.173 70.042 68.868 0.003 0.000 1.103 59 T HN 0.512 nan 8.240 nan 0.000 0.486 60 L N 2.177 123.404 121.223 0.008 0.000 2.476 60 L HA 0.694 5.035 4.340 0.001 0.000 0.269 60 L C -1.870 175.005 176.870 0.008 0.000 0.965 60 L CA -1.175 53.670 54.840 0.007 0.000 0.845 60 L CB 1.825 43.889 42.059 0.008 0.000 1.259 60 L HN 0.782 nan 8.230 nan 0.000 0.403 61 L N 5.630 126.856 121.223 0.006 0.000 2.287 61 L HA 0.612 4.953 4.340 0.001 0.000 0.287 61 L C -1.260 175.614 176.870 0.006 0.000 1.022 61 L CA 0.008 54.852 54.840 0.006 0.000 0.814 61 L CB 1.369 43.431 42.059 0.005 0.000 1.217 61 L HN 0.534 nan 8.230 nan 0.000 0.420 62 L N 4.500 125.727 121.223 0.007 0.000 2.331 62 L HA 0.555 4.896 4.340 0.001 0.000 0.275 62 L C 0.013 176.887 176.870 0.006 0.000 1.022 62 L CA -0.881 53.964 54.840 0.007 0.000 0.812 62 L CB 1.638 43.702 42.059 0.008 0.000 1.257 62 L HN 0.588 nan 8.230 nan 0.000 0.435 63 Q N 0.661 120.465 119.800 0.005 0.000 2.162 63 Q HA 0.286 4.627 4.340 0.001 0.000 0.197 63 Q C -0.686 175.317 176.000 0.005 0.000 1.013 63 Q CA -1.042 54.764 55.803 0.005 0.000 1.040 63 Q CB 0.264 29.004 28.738 0.004 0.000 1.114 63 Q HN 0.398 nan 8.270 nan 0.000 0.547 64 N N 0.949 119.652 118.700 0.004 0.000 2.223 64 N HA -0.040 4.701 4.740 0.001 0.000 0.271 64 N C -0.713 174.800 175.510 0.005 0.000 1.315 64 N CA 0.697 53.750 53.050 0.005 0.000 0.835 64 N CB -0.095 38.395 38.487 0.004 0.000 1.066 64 N HN 0.289 nan 8.380 nan 0.000 0.486 65 L N 1.527 122.754 121.223 0.006 0.000 2.313 65 L HA 0.317 4.658 4.340 0.001 0.000 0.283 65 L C 0.801 177.674 176.870 0.005 0.000 1.013 65 L CA -0.811 54.033 54.840 0.006 0.000 0.816 65 L CB 1.592 43.655 42.059 0.007 0.000 1.236 65 L HN 0.432 nan 8.230 nan 0.000 0.419 66 Q N 1.811 121.614 119.800 0.005 0.000 2.283 66 Q HA 0.156 4.497 4.340 0.001 0.000 0.301 66 Q C 1.082 177.085 176.000 0.005 0.000 1.063 66 Q CA 1.433 57.239 55.803 0.004 0.000 0.952 66 Q CB 0.453 29.193 28.738 0.004 0.000 1.166 66 Q HN 0.913 nan 8.270 nan 0.000 0.381 67 G N 2.948 111.751 108.800 0.005 0.000 2.213 67 G HA2 -0.227 3.734 3.960 0.001 0.000 0.236 67 G HA3 -0.227 3.734 3.960 0.001 0.000 0.236 67 G C -0.151 174.753 174.900 0.006 0.000 0.991 67 G CA 0.100 45.203 45.100 0.005 0.000 0.629 67 G HN 0.519 nan 8.290 nan 0.000 0.517 68 L N -0.538 120.689 121.223 0.006 0.000 2.322 68 L HA 0.624 4.965 4.340 0.001 0.000 0.269 68 L C 1.187 178.061 176.870 0.006 0.000 1.012 68 L CA -0.952 53.892 54.840 0.007 0.000 0.815 68 L CB 1.625 43.689 42.059 0.009 0.000 1.295 68 L HN -0.009 nan 8.230 nan 0.000 0.438 69 K N 0.591 120.995 120.400 0.007 0.000 2.358 69 K HA 0.293 4.613 4.320 0.001 0.000 0.197 69 K C 0.248 176.852 176.600 0.006 0.000 1.025 69 K CA -0.168 56.122 56.287 0.006 0.000 1.104 69 K CB 0.890 33.393 32.500 0.005 0.000 0.855 69 K HN 0.632 nan 8.250 nan 0.000 0.531 70 A N 1.426 124.251 122.820 0.008 0.000 2.354 70 A HA 0.109 4.430 4.320 0.001 0.000 0.269 70 A C 0.543 178.131 177.584 0.007 0.000 1.109 70 A CA -0.311 51.731 52.037 0.008 0.000 0.800 70 A CB 0.422 19.428 19.000 0.011 0.000 1.045 70 A HN 0.234 nan 8.150 nan 0.000 0.489 71 E N 0.767 120.971 120.200 0.006 0.000 2.216 71 E HA -0.045 4.305 4.350 0.001 0.000 0.192 71 E C 0.127 176.731 176.600 0.006 0.000 0.988 71 E CA 0.822 57.225 56.400 0.005 0.000 0.834 71 E CB 0.152 29.855 29.700 0.004 0.000 0.772 71 E HN 0.642 nan 8.360 nan 0.000 0.479 72 R N -0.195 120.309 120.500 0.007 0.000 2.740 72 R HA 0.485 4.826 4.340 0.001 0.000 0.273 72 R C -1.473 174.833 176.300 0.010 0.000 0.998 72 R CA -0.634 55.470 56.100 0.007 0.000 0.900 72 R CB 2.628 32.931 30.300 0.006 0.000 1.223 72 R HN -0.183 nan 8.270 nan 0.000 0.466 73 V N 2.944 122.864 119.914 0.010 0.000 2.444 73 V HA 0.336 4.456 4.120 0.001 0.000 0.294 73 V C -1.033 175.069 176.094 0.013 0.000 1.022 73 V CA -0.799 61.509 62.300 0.013 0.000 0.850 73 V CB 1.726 33.557 31.823 0.014 0.000 0.992 73 V HN 0.477 nan 8.190 nan 0.000 0.426 74 L N 6.920 128.152 121.223 0.015 0.000 2.257 74 L HA 0.561 4.902 4.340 0.001 0.000 0.290 74 L C -0.466 176.416 176.870 0.019 0.000 1.044 74 L CA 0.209 55.058 54.840 0.014 0.000 0.810 74 L CB 0.832 42.898 42.059 0.012 0.000 1.193 74 L HN 0.520 nan 8.230 nan 0.000 0.425 75 L N 5.963 127.197 121.223 0.018 0.000 2.305 75 L HA 0.536 4.877 4.340 0.001 0.000 0.281 75 L C -0.260 176.623 176.870 0.021 0.000 1.085 75 L CA -0.610 54.242 54.840 0.021 0.000 0.813 75 L CB 1.468 43.538 42.059 0.018 0.000 1.157 75 L HN 0.434 nan 8.230 nan 0.000 0.436 76 V N 2.684 122.615 119.914 0.028 0.000 2.588 76 V HA 0.670 4.791 4.120 0.001 0.000 0.304 76 V C 0.410 176.525 176.094 0.035 0.000 1.042 76 V CA -0.340 61.977 62.300 0.028 0.000 0.877 76 V CB 1.911 33.751 31.823 0.028 0.000 0.996 76 V HN 0.815 nan 8.190 nan 0.000 0.425 77 G N 3.704 112.521 108.800 0.029 0.000 2.398 77 G HA2 0.374 4.335 3.960 0.001 0.000 0.246 77 G HA3 0.374 4.335 3.960 0.001 0.000 0.246 77 G C 0.690 175.617 174.900 0.045 0.000 1.289 77 G CA 0.350 45.468 45.100 0.030 0.000 0.869 77 G HN 1.431 nan 8.290 nan 0.000 0.543 78 S N 0.904 116.630 115.700 0.044 0.000 2.701 78 S HA 0.530 5.001 4.470 0.001 0.000 0.242 78 S C 1.195 175.816 174.600 0.035 0.000 1.025 78 S CA 0.590 58.823 58.200 0.056 0.000 1.016 78 S CB -0.075 63.160 63.200 0.058 0.000 0.977 78 S HN 2.302 nan 8.310 nan 0.000 0.546 79 G N 1.943 110.757 108.800 0.024 0.000 2.632 79 G HA2 -0.198 3.763 3.960 0.001 0.000 0.224 79 G HA3 -0.198 3.763 3.960 0.001 0.000 0.224 79 G C -0.632 174.272 174.900 0.007 0.000 1.341 79 G CA -0.442 44.666 45.100 0.014 0.000 0.880 79 G HN 0.572 nan 8.290 nan 0.000 0.566 80 K N -0.086 120.315 120.400 0.001 0.000 2.132 80 K HA 0.319 4.640 4.320 0.001 0.000 0.240 80 K C 0.229 176.824 176.600 -0.008 0.000 1.036 80 K CA -0.055 56.230 56.287 -0.004 0.000 0.888 80 K CB 0.337 32.834 32.500 -0.005 0.000 1.071 80 K HN 0.428 nan 8.250 nan 0.000 0.502 81 D N 2.480 122.873 120.400 -0.011 0.000 2.934 81 D HA -0.019 4.622 4.640 0.001 0.000 0.237 81 D C -0.722 175.564 176.300 -0.023 0.000 1.158 81 D CA 0.132 54.122 54.000 -0.016 0.000 0.971 81 D CB -0.380 40.412 40.800 -0.014 0.000 1.123 81 D HN 0.440 nan 8.370 nan 0.000 0.467 82 E N -1.353 118.831 120.200 -0.027 0.000 2.359 82 E HA 0.693 5.044 4.350 0.001 0.000 0.266 82 E C -0.882 175.689 176.600 -0.048 0.000 0.920 82 E CA -1.339 55.040 56.400 -0.034 0.000 0.788 82 E CB 1.214 30.898 29.700 -0.027 0.000 1.279 82 E HN -0.026 nan 8.360 nan 0.000 0.438 83 A N 2.035 124.819 122.820 -0.061 0.000 2.445 83 A HA 0.306 4.626 4.320 0.001 0.000 0.242 83 A C 0.052 177.592 177.584 -0.073 0.000 1.075 83 A CA -0.345 51.638 52.037 -0.089 0.000 0.777 83 A CB 0.025 18.965 19.000 -0.100 0.000 1.013 83 A HN 0.553 nan 8.150 nan 0.000 0.493 84 L N 2.059 123.227 121.223 -0.092 0.000 2.350 84 L HA 0.450 4.791 4.340 0.001 0.000 0.275 84 L C 1.295 178.144 176.870 -0.036 0.000 1.099 84 L CA -0.484 54.333 54.840 -0.039 0.000 0.808 84 L CB 1.003 43.067 42.059 0.009 0.000 1.149 84 L HN 0.892 nan 8.230 nan 0.000 0.442 85 G N 0.526 109.326 108.800 0.000 0.000 2.634 85 G HA2 0.034 3.995 3.960 0.001 0.000 0.255 85 G HA3 0.034 3.995 3.960 0.001 0.000 0.255 85 G C 0.340 175.275 174.900 0.059 0.000 1.205 85 G CA -0.364 44.741 45.100 0.008 0.000 0.884 85 G HN 0.712 nan 8.290 nan 0.000 0.549 86 D N -0.318 120.116 120.400 0.057 0.000 2.123 86 D HA -0.103 4.538 4.640 0.001 0.000 0.196 86 D C 2.461 178.827 176.300 0.110 0.000 0.992 86 D CA 0.886 54.954 54.000 0.112 0.000 0.833 86 D CB 0.026 40.867 40.800 0.068 0.000 0.954 86 D HN 0.313 nan 8.370 nan 0.000 0.455 87 R N 0.246 120.774 120.500 0.045 0.000 2.075 87 R HA -0.026 4.315 4.340 0.001 0.000 0.232 87 R C 2.169 178.486 176.300 0.029 0.000 1.126 87 R CA 1.513 57.621 56.100 0.013 0.000 0.963 87 R CB -0.882 29.401 30.300 -0.028 0.000 0.858 87 R HN 0.077 nan 8.270 nan 0.000 0.435 88 T N -0.074 114.512 114.554 0.053 0.000 2.746 88 T HA -0.175 4.176 4.350 0.001 0.000 0.267 88 T C 1.358 176.138 174.700 0.134 0.000 1.039 88 T CA 1.329 63.469 62.100 0.067 0.000 1.142 88 T CB -0.398 68.506 68.868 0.060 0.000 0.866 88 T HN 0.504 nan 8.240 nan 0.000 0.444 89 W N 2.231 123.499 121.300 -0.053 0.000 2.381 89 W HA -0.123 4.538 4.660 0.001 0.000 0.301 89 W C 2.119 178.604 176.519 -0.057 0.000 1.205 89 W CA 0.658 57.965 57.345 -0.063 0.000 1.285 89 W CB -0.128 29.282 29.460 -0.082 0.000 1.133 89 W HN 0.166 nan 8.180 nan 0.000 0.521 90 R N 0.470 120.892 120.500 -0.129 0.000 2.092 90 R HA -0.121 4.220 4.340 0.001 0.000 0.231 90 R C 2.251 178.424 176.300 -0.212 0.000 1.119 90 R CA 1.522 57.453 56.100 -0.281 0.000 0.970 90 R CB -0.388 29.829 30.300 -0.139 0.000 0.864 90 R HN 0.157 nan 8.270 nan 0.000 0.440 91 K N 0.835 121.170 120.400 -0.109 0.000 2.148 91 K HA -0.100 4.221 4.320 0.001 0.000 0.204 91 K C 2.123 178.663 176.600 -0.100 0.000 1.050 91 K CA 0.833 57.069 56.287 -0.083 0.000 0.942 91 K CB -0.138 32.338 32.500 -0.040 0.000 0.724 91 K HN 0.150 nan 8.250 nan 0.000 0.446 92 L N 0.878 122.037 121.223 -0.106 0.000 2.017 92 L HA -0.202 4.139 4.340 0.001 0.000 0.208 92 L C 2.064 178.815 176.870 -0.198 0.000 1.073 92 L CA 1.206 55.986 54.840 -0.100 0.000 0.745 92 L CB -0.161 41.892 42.059 -0.009 0.000 0.894 92 L HN -0.065 nan 8.230 nan 0.000 0.432 93 V N 0.385 120.068 119.914 -0.385 0.000 2.343 93 V HA -0.301 3.820 4.120 0.001 0.000 0.247 93 V C 2.845 178.811 176.094 -0.214 0.000 1.051 93 V CA 1.749 63.814 62.300 -0.390 0.000 1.036 93 V CB -1.136 30.325 31.823 -0.604 0.000 0.654 93 V HN 0.621 nan 8.190 nan 0.000 0.451 94 A N -0.487 122.227 122.820 -0.177 0.000 1.933 94 A HA -0.199 4.122 4.320 0.001 0.000 0.218 94 A C 2.480 180.020 177.584 -0.073 0.000 1.175 94 A CA 2.143 54.117 52.037 -0.103 0.000 0.628 94 A CB -0.651 18.300 19.000 -0.082 0.000 0.814 94 A HN 0.511 nan 8.150 nan 0.000 0.444 95 S N -0.387 115.270 115.700 -0.073 0.000 2.359 95 S HA -0.147 4.324 4.470 0.001 0.000 0.224 95 S C 1.910 176.486 174.600 -0.041 0.000 1.035 95 S CA 1.484 59.656 58.200 -0.046 0.000 1.018 95 S CB -0.523 62.655 63.200 -0.037 0.000 0.876 95 S HN 0.359 nan 8.310 nan 0.000 0.448 96 V N 2.043 121.923 119.914 -0.056 0.000 2.287 96 V HA -0.232 3.888 4.120 0.001 0.000 0.248 96 V C 2.661 178.734 176.094 -0.034 0.000 1.053 96 V CA 1.797 64.072 62.300 -0.042 0.000 1.027 96 V CB -1.234 30.557 31.823 -0.052 0.000 0.646 96 V HN 0.553 nan 8.190 nan 0.000 0.447 97 A N 0.388 123.180 122.820 -0.047 0.000 1.933 97 A HA -0.102 4.218 4.320 0.001 0.000 0.218 97 A C 2.417 179.990 177.584 -0.019 0.000 1.175 97 A CA 1.961 53.979 52.037 -0.032 0.000 0.628 97 A CB -1.227 17.749 19.000 -0.039 0.000 0.814 97 A HN 0.543 nan 8.150 nan 0.000 0.444 98 G N -0.479 108.309 108.800 -0.020 0.000 2.446 98 G HA2 -0.141 3.820 3.960 0.001 0.000 0.217 98 G HA3 -0.141 3.820 3.960 0.001 0.000 0.217 98 G C 1.520 176.416 174.900 -0.007 0.000 1.168 98 G CA 1.298 46.392 45.100 -0.010 0.000 0.771 98 G HN 0.324 nan 8.290 nan 0.000 0.551 99 V N 1.123 121.031 119.914 -0.009 0.000 2.295 99 V HA -0.143 3.977 4.120 0.001 0.000 0.246 99 V C 2.930 179.022 176.094 -0.003 0.000 1.049 99 V CA 1.582 63.879 62.300 -0.005 0.000 1.024 99 V CB -0.491 31.330 31.823 -0.004 0.000 0.648 99 V HN 0.356 nan 8.190 nan 0.000 0.447 100 L N -0.570 120.650 121.223 -0.005 0.000 2.131 100 L HA -0.194 4.147 4.340 0.001 0.000 0.210 100 L C 2.521 179.390 176.870 -0.001 0.000 1.092 100 L CA 1.593 56.432 54.840 -0.002 0.000 0.759 100 L CB -0.682 41.375 42.059 -0.003 0.000 0.903 100 L HN 0.289 nan 8.230 nan 0.000 0.435 101 K N 0.050 120.449 120.400 -0.002 0.000 2.211 101 K HA -0.074 4.247 4.320 0.001 0.000 0.203 101 K C 1.966 178.566 176.600 0.000 0.000 1.050 101 K CA 1.079 57.366 56.287 0.000 0.000 0.945 101 K CB -0.211 32.290 32.500 0.002 0.000 0.732 101 K HN 0.395 nan 8.250 nan 0.000 0.451 102 G N 0.589 109.389 108.800 0.000 0.000 2.777 102 G HA2 0.065 4.026 3.960 0.001 0.000 0.211 102 G HA3 0.065 4.026 3.960 0.001 0.000 0.211 102 G C 0.545 175.445 174.900 -0.000 0.000 1.149 102 G CA -0.134 44.966 45.100 0.000 0.000 0.785 102 G HN -0.003 nan 8.290 nan 0.000 0.536 103 L N -0.021 121.201 121.223 -0.000 0.000 2.421 103 L HA 0.306 4.646 4.340 0.001 0.000 0.263 103 L C 0.717 177.587 176.870 -0.001 0.000 1.122 103 L CA -0.730 54.110 54.840 -0.000 0.000 0.804 103 L CB 0.982 43.041 42.059 0.001 0.000 1.150 103 L HN -0.066 nan 8.230 nan 0.000 0.457 104 N N 0.446 119.145 118.700 -0.001 0.000 2.455 104 N HA 0.126 4.867 4.740 0.001 0.000 0.258 104 N C -0.105 175.405 175.510 -0.001 0.000 1.158 104 N CA -0.156 52.893 53.050 -0.001 0.000 0.893 104 N CB 0.221 38.707 38.487 -0.002 0.000 1.173 104 N HN 0.695 nan 8.380 nan 0.000 0.503 105 G N -1.172 107.628 108.800 -0.000 0.000 2.332 105 G HA2 0.503 4.464 3.960 0.001 0.000 0.310 105 G HA3 0.503 4.464 3.960 0.001 0.000 0.310 105 G C 0.754 175.655 174.900 0.000 0.000 1.123 105 G CA -0.353 44.747 45.100 0.001 0.000 0.873 105 G HN 0.280 nan 8.290 nan 0.000 0.460 106 A N 1.918 124.739 122.820 0.000 0.000 2.066 106 A HA 0.264 4.584 4.320 0.001 0.000 0.218 106 A C 0.962 178.546 177.584 0.001 0.000 1.157 106 A CA 1.538 53.575 52.037 -0.000 0.000 0.670 106 A CB -0.195 18.804 19.000 -0.001 0.000 0.804 106 A HN 0.749 nan 8.150 nan 0.000 0.453 107 D N -3.559 116.842 120.400 0.002 0.000 2.626 107 D HA 0.694 5.334 4.640 0.001 0.000 0.278 107 D C -0.685 175.618 176.300 0.006 0.000 1.211 107 D CA 0.064 54.066 54.000 0.004 0.000 0.903 107 D CB 1.056 41.858 40.800 0.003 0.000 1.408 107 D HN 0.399 nan 8.370 nan 0.000 0.454 108 A N -0.452 122.372 122.820 0.008 0.000 2.594 108 A HA 0.666 4.987 4.320 0.001 0.000 0.295 108 A C -1.702 175.891 177.584 0.015 0.000 1.071 108 A CA -0.774 51.270 52.037 0.011 0.000 0.685 108 A CB 1.819 20.826 19.000 0.011 0.000 1.285 108 A HN 0.549 nan 8.150 nan 0.000 0.405 109 V N 1.974 121.900 119.914 0.020 0.000 2.444 109 V HA 0.416 4.537 4.120 0.001 0.000 0.294 109 V C -0.526 175.592 176.094 0.040 0.000 1.022 109 V CA -0.301 62.015 62.300 0.026 0.000 0.850 109 V CB 1.348 33.184 31.823 0.022 0.000 0.992 109 V HN 0.703 nan 8.190 nan 0.000 0.426 110 L N 4.440 125.697 121.223 0.057 0.000 2.257 110 L HA 0.684 5.025 4.340 0.001 0.000 0.290 110 L C 0.508 177.445 176.870 0.113 0.000 1.044 110 L CA -0.369 54.525 54.840 0.090 0.000 0.810 110 L CB 1.454 43.583 42.059 0.117 0.000 1.193 110 L HN 0.742 nan 8.230 nan 0.000 0.425 111 A N 5.766 128.651 122.820 0.109 0.000 3.150 111 A HA 0.524 4.845 4.320 0.001 0.000 0.328 111 A C 0.366 178.032 177.584 0.138 0.000 1.104 111 A CA -0.323 51.780 52.037 0.111 0.000 0.937 111 A CB -0.103 18.941 19.000 0.073 0.000 1.073 111 A HN 0.809 nan 8.150 nan 0.000 0.497 112 L N -0.054 121.295 121.223 0.211 0.000 2.965 112 L HA 0.154 4.495 4.340 0.001 0.000 0.254 112 L C 1.302 178.290 176.870 0.196 0.000 1.220 112 L CA -0.018 54.958 54.840 0.227 0.000 1.023 112 L CB 0.232 42.499 42.059 0.346 0.000 1.355 112 L HN 0.593 nan 8.230 nan 0.000 0.545 113 D N 0.959 121.471 120.400 0.187 0.000 2.182 113 D HA -0.238 4.403 4.640 0.001 0.000 0.201 113 D C 1.595 177.921 176.300 0.043 0.000 0.986 113 D CA 1.437 55.528 54.000 0.152 0.000 0.847 113 D CB 0.362 41.248 40.800 0.143 0.000 0.942 113 D HN 0.229 nan 8.370 nan 0.000 0.467 114 D N -0.372 120.049 120.400 0.033 0.000 2.190 114 D HA -0.098 4.543 4.640 0.001 0.000 0.200 114 D C 0.286 176.552 176.300 -0.057 0.000 0.992 114 D CA 0.447 54.445 54.000 -0.003 0.000 0.854 114 D CB -0.056 40.753 40.800 0.015 0.000 0.936 114 D HN 0.126 nan 8.370 nan 0.000 0.462 115 V N 1.349 121.207 119.914 -0.093 0.000 2.455 115 V HA 0.354 4.475 4.120 0.001 0.000 0.273 115 V C 0.516 176.406 176.094 -0.339 0.000 1.045 115 V CA -0.758 61.429 62.300 -0.187 0.000 0.976 115 V CB 0.970 32.685 31.823 -0.179 0.000 0.993 115 V HN 0.065 nan 8.190 nan 0.000 0.475 116 A N 5.495 128.153 122.820 -0.270 0.000 2.309 116 A HA 0.739 5.060 4.320 0.001 0.000 0.298 116 A C -0.463 176.902 177.584 -0.365 0.000 1.165 116 A CA -0.424 51.438 52.037 -0.292 0.000 0.821 116 A CB 0.970 19.863 19.000 -0.179 0.000 1.102 116 A HN 0.663 nan 8.150 nan 0.000 0.500 117 V N 3.252 122.913 119.914 -0.421 0.000 2.409 117 V HA 0.188 4.309 4.120 0.001 0.000 0.291 117 V C 0.203 176.161 176.094 -0.227 0.000 1.020 117 V CA -0.977 61.080 62.300 -0.405 0.000 0.848 117 V CB 1.436 32.858 31.823 -0.668 0.000 0.990 117 V HN 0.968 nan 8.190 nan 0.000 0.430 118 N N 4.221 122.832 118.700 -0.148 0.000 2.359 118 N HA -0.040 4.701 4.740 0.001 0.000 0.261 118 N C 0.760 176.227 175.510 -0.072 0.000 1.267 118 N CA 1.035 54.031 53.050 -0.091 0.000 0.864 118 N CB -0.286 38.166 38.487 -0.059 0.000 1.063 118 N HN 0.771 nan 8.380 nan 0.000 0.474 119 N N 1.249 119.913 118.700 -0.060 0.000 2.747 119 N HA -0.230 4.511 4.740 0.001 0.000 0.249 119 N C -1.429 174.061 175.510 -0.034 0.000 1.107 119 N CA 0.955 53.984 53.050 -0.036 0.000 0.707 119 N CB -0.642 37.836 38.487 -0.016 0.000 1.054 119 N HN 0.688 nan 8.380 nan 0.000 0.555 120 R N 0.008 120.470 120.500 -0.063 0.000 2.535 120 R HA 0.219 4.559 4.340 0.001 0.000 0.274 120 R C -0.979 175.274 176.300 -0.078 0.000 1.090 120 R CA -0.751 55.319 56.100 -0.050 0.000 0.930 120 R CB 1.070 31.328 30.300 -0.071 0.000 1.223 120 R HN 0.237 nan 8.270 nan 0.000 0.441 121 D N 1.640 122.025 120.400 -0.026 0.000 2.361 121 D HA 0.031 4.672 4.640 0.001 0.000 0.239 121 D C 0.842 177.074 176.300 -0.114 0.000 1.200 121 D CA -0.285 53.688 54.000 -0.046 0.000 0.915 121 D CB 0.725 41.544 40.800 0.032 0.000 1.170 121 D HN 0.522 nan 8.370 nan 0.000 0.444 122 A N 0.549 123.231 122.820 -0.230 0.000 2.121 122 A HA -0.149 4.172 4.320 0.001 0.000 0.218 122 A C 1.404 178.817 177.584 -0.285 0.000 1.154 122 A CA 1.043 52.848 52.037 -0.386 0.000 0.679 122 A CB -0.518 18.129 19.000 -0.587 0.000 0.795 122 A HN 0.674 nan 8.150 nan 0.000 0.458 123 H N -4.201 114.984 119.070 0.192 0.000 2.408 123 H HA 0.134 4.691 4.556 0.001 0.000 0.271 123 H C 1.643 177.169 175.328 0.331 0.000 0.957 123 H CA 1.122 57.339 56.048 0.281 0.000 1.170 123 H CB -0.420 29.439 29.762 0.161 0.000 1.458 123 H HN 0.520 nan 8.280 nan 0.000 0.491 124 Y N 1.434 121.884 120.300 0.249 0.000 2.186 124 Y HA 0.166 4.717 4.550 0.001 0.000 0.286 124 Y C 2.629 178.628 175.900 0.165 0.000 1.109 124 Y CA 1.595 59.805 58.100 0.184 0.000 1.099 124 Y CB -0.554 37.980 38.460 0.124 0.000 1.030 124 Y HN 0.126 nan 8.280 nan 0.000 0.495 125 G N 0.489 109.356 108.800 0.112 0.000 2.418 125 G HA2 -0.313 3.648 3.960 0.001 0.000 0.217 125 G HA3 -0.313 3.648 3.960 0.001 0.000 0.217 125 G C 1.701 176.574 174.900 -0.044 0.000 1.158 125 G CA 1.085 46.182 45.100 -0.006 0.000 0.771 125 G HN 0.411 nan 8.290 nan 0.000 0.545 126 K N -0.626 119.731 120.400 -0.071 0.000 2.063 126 K HA -0.130 4.191 4.320 0.001 0.000 0.208 126 K C 2.103 178.672 176.600 -0.051 0.000 1.048 126 K CA 1.309 57.477 56.287 -0.199 0.000 0.928 126 K CB -0.329 31.887 32.500 -0.473 0.000 0.713 126 K HN 0.412 nan 8.250 nan 0.000 0.442 127 Y N 0.387 120.746 120.300 0.099 0.000 2.519 127 Y HA 0.097 4.648 4.550 0.001 0.000 0.287 127 Y C 2.296 178.194 175.900 -0.003 0.000 1.128 127 Y CA 0.176 58.341 58.100 0.108 0.000 1.282 127 Y CB 0.169 38.681 38.460 0.087 0.000 1.027 127 Y HN -0.014 nan 8.280 nan 0.000 0.551 128 R N -0.158 120.320 120.500 -0.036 0.000 2.091 128 R HA -0.164 4.177 4.340 0.001 0.000 0.238 128 R C 1.854 178.156 176.300 0.002 0.000 1.136 128 R CA 1.199 57.237 56.100 -0.104 0.000 0.959 128 R CB -0.805 29.348 30.300 -0.245 0.000 0.856 128 R HN 0.327 nan 8.270 nan 0.000 0.437 129 L N 0.461 121.716 121.223 0.054 0.000 2.072 129 L HA -0.059 4.282 4.340 0.001 0.000 0.205 129 L C 2.475 179.327 176.870 -0.030 0.000 1.079 129 L CA 1.071 55.943 54.840 0.054 0.000 0.752 129 L CB -0.907 41.248 42.059 0.160 0.000 0.906 129 L HN 0.123 nan 8.230 nan 0.000 0.436 130 L N -0.692 120.530 121.223 -0.002 0.000 1.989 130 L HA -0.233 4.108 4.340 0.001 0.000 0.211 130 L C 2.517 179.361 176.870 -0.043 0.000 1.071 130 L CA 1.762 56.509 54.840 -0.155 0.000 0.749 130 L CB -0.352 41.684 42.059 -0.039 0.000 0.890 130 L HN 0.236 nan 8.230 nan 0.000 0.431 131 A N -0.647 122.208 122.820 0.059 0.000 1.898 131 A HA -0.277 4.044 4.320 0.001 0.000 0.216 131 A C 2.235 179.829 177.584 0.017 0.000 1.181 131 A CA 1.788 53.857 52.037 0.052 0.000 0.620 131 A CB -0.726 18.319 19.000 0.076 0.000 0.819 131 A HN 0.646 nan 8.150 nan 0.000 0.442 132 E N -0.768 119.437 120.200 0.009 0.000 2.077 132 E HA -0.170 4.181 4.350 0.001 0.000 0.193 132 E C 1.954 178.544 176.600 -0.016 0.000 0.989 132 E CA 1.679 58.081 56.400 0.003 0.000 0.800 132 E CB -0.167 29.535 29.700 0.004 0.000 0.746 132 E HN 0.532 nan 8.360 nan 0.000 0.452 133 T N 1.351 115.873 114.554 -0.053 0.000 2.746 133 T HA -0.163 4.188 4.350 0.001 0.000 0.267 133 T C 1.740 176.406 174.700 -0.056 0.000 1.039 133 T CA 1.150 63.205 62.100 -0.075 0.000 1.142 133 T CB -0.249 68.531 68.868 -0.147 0.000 0.866 133 T HN 0.118 nan 8.240 nan 0.000 0.444 134 L N 0.752 121.941 121.223 -0.056 0.000 2.017 134 L HA 0.070 4.411 4.340 0.001 0.000 0.208 134 L C 2.121 178.992 176.870 0.002 0.000 1.073 134 L CA 1.644 56.464 54.840 -0.032 0.000 0.745 134 L CB -0.624 41.420 42.059 -0.025 0.000 0.894 134 L HN 0.247 nan 8.230 nan 0.000 0.432 135 L N -0.897 120.335 121.223 0.015 0.000 2.072 135 L HA -0.150 4.191 4.340 0.001 0.000 0.205 135 L C 2.244 179.149 176.870 0.058 0.000 1.079 135 L CA 1.467 56.329 54.840 0.037 0.000 0.752 135 L CB -0.664 41.420 42.059 0.041 0.000 0.906 135 L HN 0.307 nan 8.230 nan 0.000 0.436 136 D N 0.191 120.618 120.400 0.045 0.000 2.178 136 D HA -0.142 4.499 4.640 0.001 0.000 0.201 136 D C 2.115 178.464 176.300 0.083 0.000 0.980 136 D CA 1.196 55.231 54.000 0.057 0.000 0.842 136 D CB 0.021 40.828 40.800 0.011 0.000 0.948 136 D HN 0.211 nan 8.370 nan 0.000 0.472 137 G N -0.250 108.581 108.800 0.051 0.000 2.509 137 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 137 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 137 G C 1.398 176.348 174.900 0.083 0.000 1.124 137 G CA 0.194 45.329 45.100 0.057 0.000 0.776 137 G HN 0.193 nan 8.290 nan 0.000 0.547 138 E N -0.363 119.890 120.200 0.088 0.000 2.418 138 E HA -0.035 4.315 4.350 0.001 0.000 0.197 138 E C 0.257 176.923 176.600 0.110 0.000 1.026 138 E CA -0.374 56.072 56.400 0.077 0.000 0.862 138 E CB -0.213 29.523 29.700 0.060 0.000 0.799 138 E HN 0.537 nan 8.360 nan 0.000 0.518 139 Y N 1.204 121.530 120.300 0.042 0.000 2.810 139 Y HA -0.032 4.519 4.550 0.001 0.000 0.332 139 Y C -0.208 175.741 175.900 0.081 0.000 1.243 139 Y CA 0.236 58.376 58.100 0.067 0.000 1.537 139 Y CB 0.389 38.890 38.460 0.069 0.000 1.265 139 Y HN -0.345 nan 8.280 nan 0.000 0.572 140 V N 8.234 127.804 119.914 -0.572 0.000 2.638 140 V HA 0.275 4.396 4.120 0.001 0.000 0.306 140 V C -1.210 174.580 176.094 -0.507 0.000 1.052 140 V CA -1.010 61.067 62.300 -0.371 0.000 0.885 140 V CB 1.679 33.393 31.823 -0.181 0.000 0.999 140 V HN 0.619 nan 8.190 nan 0.000 0.424 141 F N 5.167 124.907 119.950 -0.351 0.000 2.564 141 F HA 0.474 5.002 4.527 0.001 0.000 0.361 141 F C 0.436 176.217 175.800 -0.032 0.000 1.161 141 F CA -0.916 56.992 58.000 -0.155 0.000 1.198 141 F CB 0.856 39.907 39.000 0.085 0.000 1.424 141 F HN 0.654 nan 8.300 nan 0.000 0.517 142 D N 2.050 122.281 120.400 -0.282 0.000 2.462 142 D HA 0.062 4.703 4.640 0.001 0.000 0.221 142 D C 1.820 177.907 176.300 -0.354 0.000 1.173 142 D CA -0.178 53.691 54.000 -0.219 0.000 0.831 142 D CB -0.268 40.457 40.800 -0.125 0.000 1.001 142 D HN 0.503 nan 8.370 nan 0.000 0.499 143 R N 0.081 120.186 120.500 -0.658 0.000 2.119 143 R HA -0.153 4.188 4.340 0.001 0.000 0.246 143 R C 0.563 176.387 176.300 -0.793 0.000 1.146 143 R CA 1.455 57.069 56.100 -0.811 0.000 0.962 143 R CB -0.316 29.248 30.300 -1.227 0.000 0.863 143 R HN 0.141 nan 8.270 nan 0.000 0.442 144 F N 0.666 120.449 119.950 -0.279 0.000 2.693 144 F HA 0.263 4.791 4.527 0.002 0.000 0.303 144 F C 0.253 175.996 175.800 -0.096 0.000 1.097 144 F CA -0.024 57.889 58.000 -0.146 0.000 1.330 144 F CB 0.364 39.307 39.000 -0.096 0.000 1.067 144 F HN -0.309 nan 8.300 nan 0.000 0.565 145 K N 0.157 120.549 120.400 -0.014 0.000 2.201 145 K HA 0.282 4.602 4.320 0.001 0.000 0.278 145 K C 1.027 177.606 176.600 -0.035 0.000 1.027 145 K CA -0.056 56.229 56.287 -0.004 0.000 0.909 145 K CB 1.694 34.185 32.500 -0.016 0.000 1.062 145 K HN -0.068 nan 8.250 nan 0.000 0.465 146 S N 1.514 117.205 115.700 -0.015 0.000 2.402 146 S HA -0.149 4.322 4.470 0.001 0.000 0.229 146 S C 0.783 175.366 174.600 -0.029 0.000 1.021 146 S CA 0.980 59.165 58.200 -0.025 0.000 0.974 146 S CB 0.034 63.227 63.200 -0.012 0.000 0.800 146 S HN 0.478 nan 8.310 nan 0.000 0.484 147 Q N 2.162 121.948 119.800 -0.023 0.000 2.368 147 Q HA 0.249 4.590 4.340 0.001 0.000 0.256 147 Q C -0.867 175.114 176.000 -0.031 0.000 0.980 147 Q CA -0.345 55.444 55.803 -0.023 0.000 0.887 147 Q CB 0.501 29.231 28.738 -0.013 0.000 1.221 147 Q HN -0.085 nan 8.270 nan 0.000 0.458 148 K N 1.762 122.137 120.400 -0.041 0.000 2.126 148 K HA 0.268 4.589 4.320 0.001 0.000 0.257 148 K C -0.272 176.305 176.600 -0.039 0.000 1.007 148 K CA -0.572 55.683 56.287 -0.053 0.000 0.928 148 K CB 0.754 33.215 32.500 -0.065 0.000 1.013 148 K HN 0.630 nan 8.250 nan 0.000 0.473 149 V N -0.727 119.162 119.914 -0.043 0.000 2.585 149 V HA 0.067 4.188 4.120 0.001 0.000 0.296 149 V C 0.189 176.263 176.094 -0.033 0.000 1.035 149 V CA -0.357 61.924 62.300 -0.031 0.000 1.084 149 V CB -0.070 31.735 31.823 -0.030 0.000 0.953 149 V HN 0.603 nan 8.190 nan 0.000 0.483 150 E N 6.044 126.230 120.200 -0.023 0.000 2.415 150 E HA 0.253 4.604 4.350 0.001 0.000 0.263 150 E C -2.224 174.363 176.600 -0.022 0.000 0.995 150 E CA -0.999 55.388 56.400 -0.021 0.000 0.915 150 E CB 0.274 29.965 29.700 -0.015 0.000 0.951 150 E HN 0.741 nan 8.360 nan 0.000 0.449 151 P HA 0.019 nan 4.420 nan 0.000 0.268 151 P C -0.743 176.548 177.300 -0.016 0.000 1.204 151 P CA 0.219 63.305 63.100 -0.023 0.000 0.768 151 P CB 0.610 32.295 31.700 -0.024 0.000 0.842 152 R N 1.716 122.208 120.500 -0.014 0.000 2.459 152 R HA 0.442 4.783 4.340 0.001 0.000 0.281 152 R C 1.315 177.610 176.300 -0.007 0.000 1.050 152 R CA -0.407 55.687 56.100 -0.009 0.000 1.055 152 R CB 0.745 31.041 30.300 -0.006 0.000 1.045 152 R HN 0.462 nan 8.270 nan 0.000 0.495 153 A N 2.995 125.811 122.820 -0.006 0.000 1.968 153 A HA -0.070 4.251 4.320 0.001 0.000 0.217 153 A C 0.828 178.411 177.584 -0.003 0.000 1.169 153 A CA 0.553 52.587 52.037 -0.005 0.000 0.638 153 A CB -0.189 18.808 19.000 -0.004 0.000 0.812 153 A HN 0.498 nan 8.150 nan 0.000 0.446 154 L N 0.460 121.682 121.223 -0.002 0.000 2.456 154 L HA 0.170 4.511 4.340 0.001 0.000 0.277 154 L C 0.696 177.566 176.870 0.001 0.000 1.124 154 L CA 0.373 55.214 54.840 0.000 0.000 0.880 154 L CB 0.392 42.451 42.059 0.001 0.000 1.192 154 L HN 0.062 nan 8.230 nan 0.000 0.463 155 K N 4.121 124.522 120.400 0.001 0.000 2.425 155 K HA 0.216 4.537 4.320 0.001 0.000 0.201 155 K C -0.117 176.485 176.600 0.003 0.000 1.128 155 K CA 0.121 56.408 56.287 0.001 0.000 1.000 155 K CB 0.667 33.167 32.500 -0.001 0.000 0.961 155 K HN 0.544 nan 8.250 nan 0.000 0.555 156 K N 0.911 121.313 120.400 0.004 0.000 2.543 156 K HA 0.327 4.648 4.320 0.001 0.000 0.255 156 K C -1.658 174.946 176.600 0.006 0.000 0.934 156 K CA -0.422 55.867 56.287 0.004 0.000 0.810 156 K CB 2.232 34.733 32.500 0.002 0.000 1.315 156 K HN -0.263 nan 8.250 nan 0.000 0.433 157 V N 2.486 122.404 119.914 0.008 0.000 2.604 157 V HA 0.445 4.566 4.120 0.001 0.000 0.305 157 V C -0.638 175.462 176.094 0.009 0.000 1.043 157 V CA -0.637 61.669 62.300 0.011 0.000 0.888 157 V CB 2.123 33.956 31.823 0.016 0.000 0.995 157 V HN 0.861 nan 8.190 nan 0.000 0.429 158 T N 6.048 120.608 114.554 0.009 0.000 2.779 158 T HA 0.623 4.974 4.350 0.001 0.000 0.280 158 T C -0.406 174.299 174.700 0.008 0.000 0.987 158 T CA -0.323 61.778 62.100 0.001 0.000 0.966 158 T CB 0.867 69.735 68.868 -0.001 0.000 0.933 158 T HN 0.358 nan 8.240 nan 0.000 0.442 159 L N 4.052 125.266 121.223 -0.016 0.000 2.275 159 L HA 0.529 4.870 4.340 0.001 0.000 0.288 159 L C -0.272 176.564 176.870 -0.057 0.000 1.046 159 L CA -0.851 53.972 54.840 -0.028 0.000 0.805 159 L CB 0.791 42.772 42.059 -0.130 0.000 1.193 159 L HN 0.369 nan 8.230 nan 0.000 0.426 160 L N 3.473 124.691 121.223 -0.008 0.000 2.289 160 L HA 0.824 5.164 4.340 0.001 0.000 0.285 160 L C 0.124 176.991 176.870 -0.005 0.000 1.049 160 L CA -0.256 54.579 54.840 -0.008 0.000 0.804 160 L CB 1.572 43.646 42.059 0.025 0.000 1.195 160 L HN 0.770 nan 8.230 nan 0.000 0.428 161 A N 1.701 124.504 122.820 -0.030 0.000 2.594 161 A HA 0.640 4.961 4.320 0.001 0.000 0.291 161 A C -1.503 176.076 177.584 -0.010 0.000 1.105 161 A CA -0.826 51.211 52.037 0.000 0.000 0.694 161 A CB 1.448 20.399 19.000 -0.081 0.000 1.291 161 A HN 0.736 nan 8.150 nan 0.000 0.410 162 D N 0.593 121.004 120.400 0.018 0.000 2.361 162 D HA 0.216 4.857 4.640 0.001 0.000 0.239 162 D C 0.773 177.027 176.300 -0.076 0.000 1.200 162 D CA -0.309 53.684 54.000 -0.012 0.000 0.915 162 D CB 0.549 41.365 40.800 0.027 0.000 1.170 162 D HN 0.492 nan 8.370 nan 0.000 0.444 163 K N 0.530 120.898 120.400 -0.053 0.000 2.103 163 K HA -0.192 4.129 4.320 0.001 0.000 0.207 163 K C 1.976 178.520 176.600 -0.093 0.000 1.048 163 K CA 1.513 57.762 56.287 -0.064 0.000 0.930 163 K CB -0.410 32.067 32.500 -0.038 0.000 0.716 163 K HN 0.541 nan 8.250 nan 0.000 0.444 164 A N 1.236 124.001 122.820 -0.090 0.000 1.972 164 A HA -0.069 4.252 4.320 0.001 0.000 0.219 164 A C 2.335 179.792 177.584 -0.212 0.000 1.169 164 A CA 1.789 53.767 52.037 -0.098 0.000 0.635 164 A CB -0.732 18.244 19.000 -0.040 0.000 0.810 164 A HN 0.437 nan 8.150 nan 0.000 0.446 165 G N -1.403 107.138 108.800 -0.432 0.000 2.777 165 G HA2 0.013 3.974 3.960 0.001 0.000 0.211 165 G HA3 0.013 3.974 3.960 0.001 0.000 0.211 165 G C 1.364 175.975 174.900 -0.481 0.000 1.149 165 G CA 0.714 45.236 45.100 -0.964 0.000 0.785 165 G HN 0.606 nan 8.290 nan 0.000 0.536 166 Q N 0.468 120.106 119.800 -0.270 0.000 2.077 166 Q HA -0.125 4.215 4.340 0.001 0.000 0.206 166 Q C 2.755 178.684 176.000 -0.119 0.000 0.989 166 Q CA 1.896 57.598 55.803 -0.169 0.000 0.853 166 Q CB -0.306 28.362 28.738 -0.116 0.000 0.907 166 Q HN 0.370 nan 8.270 nan 0.000 0.418 167 A N 0.728 123.491 122.820 -0.095 0.000 1.917 167 A HA -0.232 4.089 4.320 0.001 0.000 0.219 167 A C 1.954 179.523 177.584 -0.026 0.000 1.182 167 A CA 1.788 53.792 52.037 -0.056 0.000 0.633 167 A CB -0.601 18.371 19.000 -0.047 0.000 0.819 167 A HN 0.435 nan 8.150 nan 0.000 0.448 168 E N -0.342 119.853 120.200 -0.009 0.000 2.107 168 E HA -0.062 4.288 4.350 0.001 0.000 0.191 168 E C 2.236 178.937 176.600 0.168 0.000 0.982 168 E CA 1.140 57.605 56.400 0.108 0.000 0.809 168 E CB -0.395 29.404 29.700 0.166 0.000 0.756 168 E HN 0.413 nan 8.360 nan 0.000 0.459 169 V N 1.520 121.465 119.914 0.051 0.000 2.343 169 V HA -0.236 3.884 4.120 0.001 0.000 0.247 169 V C 2.154 178.231 176.094 -0.028 0.000 1.051 169 V CA 1.768 64.056 62.300 -0.020 0.000 1.036 169 V CB -0.470 31.205 31.823 -0.248 0.000 0.654 169 V HN 0.228 nan 8.190 nan 0.000 0.451 170 E N -0.155 120.021 120.200 -0.041 0.000 2.110 170 E HA -0.245 4.106 4.350 0.001 0.000 0.193 170 E C 2.441 179.021 176.600 -0.034 0.000 0.988 170 E CA 1.200 57.576 56.400 -0.040 0.000 0.804 170 E CB -0.181 29.493 29.700 -0.044 0.000 0.745 170 E HN 0.448 nan 8.360 nan 0.000 0.458 171 R N 0.579 121.070 120.500 -0.015 0.000 2.073 171 R HA -0.159 4.182 4.340 0.001 0.000 0.234 171 R C 2.274 178.529 176.300 -0.075 0.000 1.134 171 R CA 1.352 57.400 56.100 -0.086 0.000 0.952 171 R CB -0.208 30.076 30.300 -0.028 0.000 0.850 171 R HN 0.140 nan 8.270 nan 0.000 0.433 172 A N 0.118 122.998 122.820 0.101 0.000 1.883 172 A HA -0.138 4.183 4.320 0.001 0.000 0.217 172 A C 2.266 179.832 177.584 -0.030 0.000 1.186 172 A CA 1.759 53.738 52.037 -0.096 0.000 0.624 172 A CB -0.665 18.253 19.000 -0.137 0.000 0.822 172 A HN 0.237 nan 8.150 nan 0.000 0.444 173 V N 0.342 120.253 119.914 -0.005 0.000 2.343 173 V HA -0.283 3.838 4.120 0.001 0.000 0.247 173 V C 2.563 178.669 176.094 0.020 0.000 1.051 173 V CA 2.413 64.720 62.300 0.012 0.000 1.036 173 V CB -0.656 31.167 31.823 -0.001 0.000 0.654 173 V HN 0.708 nan 8.190 nan 0.000 0.451 174 K N -0.532 119.860 120.400 -0.012 0.000 2.032 174 K HA -0.227 4.094 4.320 0.001 0.000 0.209 174 K C 2.118 178.796 176.600 0.131 0.000 1.048 174 K CA 2.087 58.387 56.287 0.022 0.000 0.927 174 K CB -0.283 32.197 32.500 -0.034 0.000 0.712 174 K HN 0.664 nan 8.250 nan 0.000 0.441 175 H N -0.822 118.300 119.070 0.087 0.000 2.326 175 H HA -0.034 4.523 4.556 0.001 0.000 0.301 175 H C 2.104 177.460 175.328 0.046 0.000 1.081 175 H CA 0.671 56.768 56.048 0.082 0.000 1.334 175 H CB 0.057 29.905 29.762 0.142 0.000 1.385 175 H HN 0.378 nan 8.280 nan 0.000 0.504 176 A N 0.586 123.497 122.820 0.151 0.000 1.933 176 A HA -0.188 4.133 4.320 0.001 0.000 0.218 176 A C 2.450 180.078 177.584 0.073 0.000 1.175 176 A CA 1.795 53.881 52.037 0.081 0.000 0.628 176 A CB -0.543 18.486 19.000 0.049 0.000 0.814 176 A HN 0.286 nan 8.150 nan 0.000 0.444 177 S N -0.238 115.507 115.700 0.075 0.000 2.368 177 S HA 0.001 4.472 4.470 0.001 0.000 0.224 177 S C 2.311 176.951 174.600 0.068 0.000 1.029 177 S CA 1.088 59.326 58.200 0.064 0.000 0.988 177 S CB -0.429 62.804 63.200 0.055 0.000 0.838 177 S HN 0.795 nan 8.310 nan 0.000 0.462 178 A N 1.554 124.423 122.820 0.082 0.000 1.877 178 A HA -0.045 4.276 4.320 0.001 0.000 0.216 178 A C 2.073 179.693 177.584 0.059 0.000 1.186 178 A CA 1.224 53.302 52.037 0.068 0.000 0.620 178 A CB -0.748 18.295 19.000 0.072 0.000 0.822 178 A HN 0.463 nan 8.150 nan 0.000 0.443 179 I N -0.203 120.404 120.570 0.061 0.000 2.163 179 I HA -0.306 3.865 4.170 0.001 0.000 0.243 179 I C 2.970 179.118 176.117 0.052 0.000 1.085 179 I CA 1.196 62.525 61.300 0.049 0.000 1.347 179 I CB -0.308 37.718 38.000 0.043 0.000 1.044 179 I HN 0.362 nan 8.210 nan 0.000 0.408 180 A N 0.009 122.862 122.820 0.055 0.000 1.933 180 A HA -0.190 4.131 4.320 0.001 0.000 0.218 180 A C 2.366 179.999 177.584 0.081 0.000 1.175 180 A CA 2.335 54.407 52.037 0.059 0.000 0.628 180 A CB -1.023 18.011 19.000 0.057 0.000 0.814 180 A HN 0.392 nan 8.150 nan 0.000 0.444 181 T N -0.329 114.274 114.554 0.081 0.000 2.777 181 T HA -0.022 4.329 4.350 0.001 0.000 0.266 181 T C 1.958 176.734 174.700 0.127 0.000 1.040 181 T CA 1.385 63.540 62.100 0.092 0.000 1.141 181 T CB -0.533 68.373 68.868 0.063 0.000 0.868 181 T HN 0.577 nan 8.240 nan 0.000 0.444 182 G N 1.161 110.031 108.800 0.118 0.000 2.402 182 G HA2 -0.163 3.798 3.960 0.001 0.000 0.216 182 G HA3 -0.163 3.798 3.960 0.001 0.000 0.216 182 G C 1.563 176.560 174.900 0.162 0.000 1.162 182 G CA 0.555 45.756 45.100 0.168 0.000 0.777 182 G HN 0.402 nan 8.290 nan 0.000 0.539 183 M N 0.852 120.507 119.600 0.092 0.000 2.159 183 M HA -0.017 4.464 4.480 0.001 0.000 0.263 183 M C 3.007 179.333 176.300 0.042 0.000 1.063 183 M CA 1.360 56.682 55.300 0.037 0.000 1.110 183 M CB -0.201 32.395 32.600 -0.006 0.000 1.374 183 M HN 0.318 nan 8.290 nan 0.000 0.411 184 A N 0.092 122.991 122.820 0.131 0.000 1.930 184 A HA -0.178 4.143 4.320 0.001 0.000 0.217 184 A C 1.974 179.761 177.584 0.338 0.000 1.175 184 A CA 1.250 53.436 52.037 0.248 0.000 0.627 184 A CB -0.868 18.334 19.000 0.336 0.000 0.815 184 A HN 0.482 nan 8.150 nan 0.000 0.443 185 F N 1.643 121.655 119.950 0.103 0.000 2.102 185 F HA -0.125 4.403 4.527 0.002 0.000 0.298 185 F C 2.479 178.310 175.800 0.052 0.000 1.105 185 F CA 2.068 60.111 58.000 0.072 0.000 1.239 185 F CB -1.148 37.875 39.000 0.039 0.000 0.991 185 F HN 0.229 nan 8.300 nan 0.000 0.474 186 T N 0.984 115.563 114.554 0.042 0.000 2.665 186 T HA -0.236 4.115 4.350 0.001 0.000 0.268 186 T C 2.130 176.801 174.700 -0.047 0.000 1.035 186 T CA 1.998 64.054 62.100 -0.074 0.000 1.151 186 T CB -0.271 68.580 68.868 -0.029 0.000 0.862 186 T HN 0.255 nan 8.240 nan 0.000 0.438 187 R N 0.721 121.186 120.500 -0.058 0.000 2.092 187 R HA -0.051 4.290 4.340 0.001 0.000 0.231 187 R C 2.285 178.569 176.300 -0.026 0.000 1.119 187 R CA 1.332 57.342 56.100 -0.151 0.000 0.970 187 R CB -0.244 29.717 30.300 -0.565 0.000 0.864 187 R HN 0.335 nan 8.270 nan 0.000 0.440 188 D N 0.847 121.356 120.400 0.182 0.000 2.097 188 D HA -0.140 4.501 4.640 0.001 0.000 0.195 188 D C 1.962 178.328 176.300 0.109 0.000 0.989 188 D CA 1.126 55.279 54.000 0.255 0.000 0.827 188 D CB -0.160 40.904 40.800 0.441 0.000 0.966 188 D HN 0.154 nan 8.370 nan 0.000 0.456 189 L N 0.363 121.624 121.223 0.063 0.000 2.046 189 L HA -0.059 4.282 4.340 0.001 0.000 0.208 189 L C 2.579 179.441 176.870 -0.012 0.000 1.077 189 L CA 1.379 56.237 54.840 0.029 0.000 0.747 189 L CB -0.737 41.251 42.059 -0.119 0.000 0.896 189 L HN 0.088 nan 8.230 nan 0.000 0.432 190 G N -0.129 108.663 108.800 -0.013 0.000 2.418 190 G HA2 -0.248 3.712 3.960 0.001 0.000 0.217 190 G HA3 -0.248 3.712 3.960 0.001 0.000 0.217 190 G C 1.383 176.223 174.900 -0.101 0.000 1.158 190 G CA 0.633 45.759 45.100 0.044 0.000 0.771 190 G HN 0.309 nan 8.290 nan 0.000 0.545 191 N N 0.308 118.908 118.700 -0.167 0.000 2.396 191 N HA 0.040 4.781 4.740 0.001 0.000 0.180 191 N C 1.019 176.317 175.510 -0.352 0.000 1.028 191 N CA -0.006 52.801 53.050 -0.405 0.000 0.893 191 N CB -0.163 37.710 38.487 -1.024 0.000 0.967 191 N HN 0.265 nan 8.380 nan 0.000 0.440 192 L N 2.763 123.915 121.223 -0.119 0.000 2.559 192 L HA 0.035 4.375 4.340 0.001 0.000 0.282 192 L C -1.871 174.895 176.870 -0.173 0.000 1.232 192 L CA -1.166 53.705 54.840 0.050 0.000 0.885 192 L CB -0.160 41.906 42.059 0.013 0.000 1.131 192 L HN 0.004 nan 8.230 nan 0.000 0.498 193 P HA 0.145 nan 4.420 nan 0.000 0.274 193 P C -2.264 174.881 177.300 -0.259 0.000 1.237 193 P CA -1.693 61.222 63.100 -0.308 0.000 0.793 193 P CB 0.179 31.620 31.700 -0.432 0.000 0.977 194 P HA -0.097 nan 4.420 nan 0.000 0.229 194 P C 0.771 177.985 177.300 -0.144 0.000 1.160 194 P CA 1.024 64.027 63.100 -0.161 0.000 0.777 194 P CB -0.221 31.398 31.700 -0.135 0.000 0.814 195 N N 0.360 118.951 118.700 -0.182 0.000 2.459 195 N HA -0.074 4.667 4.740 0.001 0.000 0.181 195 N C 1.582 177.042 175.510 -0.083 0.000 1.046 195 N CA 0.896 53.883 53.050 -0.105 0.000 0.904 195 N CB -0.993 37.418 38.487 -0.128 0.000 0.964 195 N HN 0.271 nan 8.380 nan 0.000 0.444 196 L N -0.483 120.607 121.223 -0.222 0.000 2.445 196 L HA 0.223 4.564 4.340 0.001 0.000 0.207 196 L C 0.685 177.099 176.870 -0.760 0.000 1.053 196 L CA -0.016 54.584 54.840 -0.400 0.000 0.841 196 L CB 0.181 42.044 42.059 -0.327 0.000 1.074 196 L HN 0.115 nan 8.230 nan 0.000 0.479 197 C N 2.271 121.245 119.300 -0.542 0.000 2.145 197 C HA 0.373 4.834 4.460 0.001 0.000 0.374 197 C C 0.387 175.311 174.990 -0.110 0.000 1.035 197 C CA -0.671 58.093 59.018 -0.424 0.000 1.431 197 C CB -2.173 25.424 27.740 -0.238 0.000 1.789 197 C HN 0.419 nan 8.230 nan 0.000 0.483 198 H N 3.552 122.697 119.070 0.125 0.000 2.771 198 H HA 0.618 5.174 4.556 0.001 0.000 0.344 198 H C -2.448 172.997 175.328 0.196 0.000 1.260 198 H CA -2.668 53.459 56.048 0.132 0.000 1.276 198 H CB -0.411 29.401 29.762 0.082 0.000 1.881 198 H HN -0.056 nan 8.280 nan 0.000 0.615 199 P HA -0.089 nan 4.420 nan 0.000 0.217 199 P C 1.184 178.661 177.300 0.294 0.000 1.150 199 P CA 1.763 65.026 63.100 0.272 0.000 0.832 199 P CB 0.081 31.894 31.700 0.189 0.000 0.787 200 S N -0.954 114.958 115.700 0.353 0.000 2.382 200 S HA -0.152 4.319 4.470 0.001 0.000 0.228 200 S C 1.637 176.446 174.600 0.348 0.000 1.027 200 S CA 0.841 59.215 58.200 0.291 0.000 0.991 200 S CB -1.106 62.204 63.200 0.184 0.000 0.823 200 S HN 0.128 nan 8.310 nan 0.000 0.469 201 F N 2.528 122.677 119.950 0.331 0.000 2.102 201 F HA -0.081 4.447 4.527 0.001 0.000 0.298 201 F C 1.749 177.612 175.800 0.105 0.000 1.105 201 F CA 1.298 59.350 58.000 0.087 0.000 1.239 201 F CB -0.440 38.422 39.000 -0.230 0.000 0.991 201 F HN 0.086 nan 8.300 nan 0.000 0.474 202 L N 0.016 121.289 121.223 0.084 0.000 2.083 202 L HA -0.195 4.146 4.340 0.001 0.000 0.209 202 L C 2.798 179.737 176.870 0.114 0.000 1.083 202 L CA 1.088 55.964 54.840 0.060 0.000 0.752 202 L CB -1.245 40.977 42.059 0.270 0.000 0.899 202 L HN 0.291 nan 8.230 nan 0.000 0.433 203 A N -0.401 122.487 122.820 0.113 0.000 1.933 203 A HA -0.170 4.151 4.320 0.001 0.000 0.218 203 A C 2.214 179.834 177.584 0.060 0.000 1.175 203 A CA 1.304 53.403 52.037 0.104 0.000 0.628 203 A CB -0.264 18.794 19.000 0.097 0.000 0.814 203 A HN 0.316 nan 8.150 nan 0.000 0.444 204 E N 0.004 120.199 120.200 -0.010 0.000 2.072 204 E HA -0.171 4.180 4.350 0.001 0.000 0.191 204 E C 2.203 178.752 176.600 -0.085 0.000 0.985 204 E CA 1.022 57.396 56.400 -0.043 0.000 0.801 204 E CB -0.403 29.268 29.700 -0.048 0.000 0.750 204 E HN 0.594 nan 8.360 nan 0.000 0.452 205 Q N 0.204 119.865 119.800 -0.233 0.000 2.096 205 Q HA -0.117 4.224 4.340 0.001 0.000 0.204 205 Q C 2.104 178.169 176.000 0.109 0.000 0.982 205 Q CA 1.551 57.241 55.803 -0.188 0.000 0.850 205 Q CB -0.399 28.064 28.738 -0.459 0.000 0.901 205 Q HN 0.256 nan 8.270 nan 0.000 0.422 206 A N 1.133 124.115 122.820 0.270 0.000 1.897 206 A HA -0.149 4.172 4.320 0.001 0.000 0.215 206 A C 2.083 179.788 177.584 0.201 0.000 1.181 206 A CA 1.300 53.561 52.037 0.374 0.000 0.620 206 A CB -0.275 18.893 19.000 0.280 0.000 0.821 206 A HN 0.236 nan 8.150 nan 0.000 0.443 207 K N -0.200 120.276 120.400 0.127 0.000 2.097 207 K HA -0.158 4.163 4.320 0.001 0.000 0.206 207 K C 1.913 178.566 176.600 0.087 0.000 1.049 207 K CA 1.618 57.961 56.287 0.094 0.000 0.933 207 K CB -0.156 32.384 32.500 0.068 0.000 0.717 207 K HN 0.627 nan 8.250 nan 0.000 0.442 208 E N 0.703 120.947 120.200 0.074 0.000 2.072 208 E HA -0.177 4.174 4.350 0.001 0.000 0.191 208 E C 1.981 178.631 176.600 0.083 0.000 0.985 208 E CA 0.629 57.061 56.400 0.054 0.000 0.801 208 E CB -0.047 29.664 29.700 0.019 0.000 0.750 208 E HN 0.084 nan 8.360 nan 0.000 0.452 209 L N 0.897 122.203 121.223 0.138 0.000 2.042 209 L HA -0.097 4.244 4.340 0.001 0.000 0.210 209 L C 2.216 179.238 176.870 0.255 0.000 1.076 209 L CA 2.139 57.107 54.840 0.215 0.000 0.749 209 L CB -0.836 41.393 42.059 0.284 0.000 0.893 209 L HN 0.119 nan 8.230 nan 0.000 0.432 210 G N -0.994 107.920 108.800 0.190 0.000 2.440 210 G HA2 -0.290 3.670 3.960 0.001 0.000 0.218 210 G HA3 -0.290 3.670 3.960 0.001 0.000 0.218 210 G C 1.697 176.676 174.900 0.131 0.000 1.154 210 G CA 0.871 46.071 45.100 0.166 0.000 0.767 210 G HN 0.408 nan 8.290 nan 0.000 0.552 211 K N 0.410 120.865 120.400 0.091 0.000 2.211 211 K HA 0.113 4.434 4.320 0.001 0.000 0.203 211 K C 2.549 179.154 176.600 0.008 0.000 1.050 211 K CA 0.814 57.130 56.287 0.047 0.000 0.945 211 K CB -0.051 32.468 32.500 0.032 0.000 0.732 211 K HN 0.297 nan 8.250 nan 0.000 0.451 212 A N 0.500 123.309 122.820 -0.017 0.000 2.251 212 A HA 0.010 4.331 4.320 0.001 0.000 0.209 212 A C -0.098 177.197 177.584 -0.481 0.000 1.187 212 A CA 0.239 52.144 52.037 -0.221 0.000 0.823 212 A CB 0.051 18.890 19.000 -0.268 0.000 0.846 212 A HN 0.170 nan 8.150 nan 0.000 0.486 213 H N -1.057 118.046 119.070 0.054 0.000 2.840 213 H HA 0.215 4.772 4.556 0.001 0.000 0.340 213 H C 0.292 175.671 175.328 0.085 0.000 1.004 213 H CA -0.501 55.591 56.048 0.075 0.000 1.288 213 H CB 2.024 31.842 29.762 0.094 0.000 1.607 213 H HN 0.160 nan 8.280 nan 0.000 0.522 214 K N 3.020 123.516 120.400 0.160 0.000 2.063 214 K HA -0.064 4.257 4.320 0.001 0.000 0.208 214 K C 1.561 178.234 176.600 0.122 0.000 1.048 214 K CA 1.585 57.940 56.287 0.114 0.000 0.928 214 K CB 0.054 32.602 32.500 0.081 0.000 0.713 214 K HN 0.616 nan 8.250 nan 0.000 0.442 215 A N -0.185 122.735 122.820 0.166 0.000 2.337 215 A HA 0.210 4.530 4.320 0.001 0.000 0.227 215 A C -0.108 177.565 177.584 0.148 0.000 1.259 215 A CA -0.238 51.857 52.037 0.098 0.000 0.870 215 A CB -0.145 18.870 19.000 0.025 0.000 0.927 215 A HN 0.221 nan 8.150 nan 0.000 0.497 216 L N 0.162 121.507 121.223 0.204 0.000 2.333 216 L HA 0.563 4.904 4.340 0.001 0.000 0.280 216 L C -1.081 175.874 176.870 0.142 0.000 1.004 216 L CA -0.291 54.671 54.840 0.204 0.000 0.820 216 L CB 1.470 43.671 42.059 0.237 0.000 1.247 216 L HN -0.079 nan 8.230 nan 0.000 0.416 217 K N 4.520 124.991 120.400 0.117 0.000 2.345 217 K HA 0.656 4.977 4.320 0.001 0.000 0.255 217 K C -1.445 175.214 176.600 0.099 0.000 0.934 217 K CA -0.618 55.729 56.287 0.100 0.000 0.801 217 K CB 2.444 34.997 32.500 0.088 0.000 1.137 217 K HN 0.397 nan 8.250 nan 0.000 0.424 218 V N 1.901 121.873 119.914 0.095 0.000 2.540 218 V HA 0.370 4.490 4.120 0.001 0.000 0.302 218 V C -0.293 175.852 176.094 0.085 0.000 1.035 218 V CA -0.774 61.580 62.300 0.089 0.000 0.873 218 V CB 1.947 33.827 31.823 0.096 0.000 0.992 218 V HN 0.729 nan 8.190 nan 0.000 0.428 219 E N 2.980 123.231 120.200 0.086 0.000 2.266 219 E HA 0.736 5.087 4.350 0.001 0.000 0.268 219 E C -1.926 174.710 176.600 0.061 0.000 0.879 219 E CA -0.531 55.918 56.400 0.082 0.000 0.762 219 E CB 2.448 32.216 29.700 0.114 0.000 1.199 219 E HN 0.446 nan 8.360 nan 0.000 0.422 220 V N 4.619 124.562 119.914 0.047 0.000 2.487 220 V HA 0.356 4.477 4.120 0.001 0.000 0.298 220 V C -0.907 175.191 176.094 0.007 0.000 1.028 220 V CA -0.838 61.479 62.300 0.027 0.000 0.860 220 V CB 1.355 33.201 31.823 0.039 0.000 0.991 220 V HN 0.566 nan 8.190 nan 0.000 0.427 221 L N 5.590 126.793 121.223 -0.033 0.000 2.272 221 L HA 0.537 4.877 4.340 0.001 0.000 0.289 221 L C 0.233 177.053 176.870 -0.083 0.000 1.032 221 L CA -0.167 54.633 54.840 -0.067 0.000 0.810 221 L CB 1.186 43.163 42.059 -0.137 0.000 1.205 221 L HN 0.812 nan 8.230 nan 0.000 0.422 222 D N 0.958 121.324 120.400 -0.056 0.000 2.506 222 D HA 0.066 4.706 4.640 0.001 0.000 0.272 222 D C 0.816 177.075 176.300 -0.068 0.000 1.214 222 D CA -0.511 53.461 54.000 -0.046 0.000 1.067 222 D CB 0.528 41.321 40.800 -0.012 0.000 1.117 222 D HN 0.588 nan 8.370 nan 0.000 0.578 223 E N -0.580 119.602 120.200 -0.030 0.000 2.110 223 E HA -0.243 4.108 4.350 0.001 0.000 0.193 223 E C 1.766 178.397 176.600 0.053 0.000 0.988 223 E CA 1.017 57.423 56.400 0.010 0.000 0.804 223 E CB 0.051 29.781 29.700 0.050 0.000 0.745 223 E HN 0.472 nan 8.360 nan 0.000 0.458 224 K N 0.647 121.063 120.400 0.026 0.000 2.057 224 K HA -0.213 4.108 4.320 0.001 0.000 0.206 224 K C 2.185 178.769 176.600 -0.027 0.000 1.050 224 K CA 1.500 57.790 56.287 0.006 0.000 0.935 224 K CB -0.014 32.488 32.500 0.003 0.000 0.715 224 K HN -0.137 nan 8.250 nan 0.000 0.439 225 K N 1.349 121.729 120.400 -0.034 0.000 2.057 225 K HA -0.079 4.242 4.320 0.001 0.000 0.207 225 K C 1.815 178.374 176.600 -0.069 0.000 1.049 225 K CA 1.485 57.747 56.287 -0.042 0.000 0.931 225 K CB -0.305 32.173 32.500 -0.038 0.000 0.714 225 K HN 0.222 nan 8.250 nan 0.000 0.440 226 I N 0.766 121.262 120.570 -0.123 0.000 2.127 226 I HA -0.336 3.835 4.170 0.001 0.000 0.241 226 I C 2.533 178.603 176.117 -0.078 0.000 1.075 226 I CA 1.591 62.781 61.300 -0.183 0.000 1.334 226 I CB -0.325 37.446 38.000 -0.382 0.000 1.040 226 I HN 0.265 nan 8.210 nan 0.000 0.405 227 K N 0.785 121.148 120.400 -0.061 0.000 2.032 227 K HA -0.246 4.075 4.320 0.001 0.000 0.209 227 K C 1.639 178.166 176.600 -0.121 0.000 1.048 227 K CA 2.114 58.296 56.287 -0.176 0.000 0.927 227 K CB -0.080 32.199 32.500 -0.369 0.000 0.712 227 K HN 0.220 nan 8.250 nan 0.000 0.441 228 D N 0.672 121.024 120.400 -0.081 0.000 2.219 228 D HA -0.100 4.541 4.640 0.001 0.000 0.205 228 D C 1.690 177.978 176.300 -0.020 0.000 0.970 228 D CA 0.737 54.707 54.000 -0.050 0.000 0.851 228 D CB 0.039 40.818 40.800 -0.034 0.000 0.943 228 D HN 0.251 nan 8.370 nan 0.000 0.488 229 L N -0.612 120.609 121.223 -0.004 0.000 2.552 229 L HA 0.102 4.443 4.340 0.001 0.000 0.227 229 L C 1.426 178.319 176.870 0.038 0.000 1.146 229 L CA 0.540 55.401 54.840 0.036 0.000 0.858 229 L CB -0.103 42.004 42.059 0.080 0.000 0.969 229 L HN 0.141 nan 8.230 nan 0.000 0.451 230 G N -0.130 108.678 108.800 0.013 0.000 2.132 230 G HA2 -0.295 3.665 3.960 0.001 0.000 0.228 230 G HA3 -0.295 3.665 3.960 0.001 0.000 0.228 230 G C 0.323 175.260 174.900 0.061 0.000 1.000 230 G CA -0.240 44.874 45.100 0.023 0.000 0.693 230 G HN 0.256 nan 8.290 nan 0.000 0.515 231 M N 1.956 121.598 119.600 0.070 0.000 3.436 231 M HA 0.328 4.809 4.480 0.001 0.000 0.240 231 M C 1.851 178.254 176.300 0.173 0.000 1.469 231 M CA 0.617 55.998 55.300 0.135 0.000 1.622 231 M CB 0.248 32.927 32.600 0.132 0.000 1.098 231 M HN 0.239 nan 8.290 nan 0.000 0.568 232 G N 0.507 109.395 108.800 0.147 0.000 2.448 232 G HA2 -0.077 3.884 3.960 0.001 0.000 0.218 232 G HA3 -0.077 3.884 3.960 0.001 0.000 0.218 232 G C 1.455 176.483 174.900 0.214 0.000 1.135 232 G CA 0.941 46.140 45.100 0.164 0.000 0.784 232 G HN 0.679 nan 8.290 nan 0.000 0.543 233 A N 0.404 123.341 122.820 0.195 0.000 1.898 233 A HA 0.211 4.532 4.320 0.001 0.000 0.214 233 A C 2.085 179.792 177.584 0.204 0.000 1.183 233 A CA 1.081 53.218 52.037 0.167 0.000 0.622 233 A CB -0.472 18.597 19.000 0.116 0.000 0.824 233 A HN 0.265 nan 8.150 nan 0.000 0.444 234 F N -0.552 119.435 119.950 0.062 0.000 2.102 234 F HA -0.161 4.367 4.527 0.001 0.000 0.298 234 F C 2.128 177.966 175.800 0.062 0.000 1.105 234 F CA 1.233 59.260 58.000 0.045 0.000 1.239 234 F CB -1.016 38.011 39.000 0.044 0.000 0.991 234 F HN 0.413 nan 8.300 nan 0.000 0.474 235 Y N 0.609 121.058 120.300 0.249 0.000 2.165 235 Y HA -0.167 4.383 4.550 0.001 0.000 0.286 235 Y C 2.411 178.378 175.900 0.112 0.000 1.155 235 Y CA 1.939 60.109 58.100 0.117 0.000 1.164 235 Y CB -0.797 37.690 38.460 0.046 0.000 0.978 235 Y HN 0.061 nan 8.280 nan 0.000 0.513 236 A N -0.727 122.206 122.820 0.189 0.000 1.940 236 A HA -0.176 4.145 4.320 0.001 0.000 0.219 236 A C 2.318 179.895 177.584 -0.011 0.000 1.176 236 A CA 2.023 54.107 52.037 0.079 0.000 0.631 236 A CB -1.306 17.767 19.000 0.122 0.000 0.814 236 A HN 0.351 nan 8.150 nan 0.000 0.446 237 V N -0.412 119.515 119.914 0.022 0.000 2.307 237 V HA -0.150 3.971 4.120 0.001 0.000 0.245 237 V C 2.671 178.747 176.094 -0.031 0.000 1.045 237 V CA 2.004 64.300 62.300 -0.007 0.000 1.024 237 V CB -1.185 30.630 31.823 -0.012 0.000 0.651 237 V HN 0.615 nan 8.190 nan 0.000 0.449 238 G N -0.257 108.520 108.800 -0.038 0.000 2.712 238 G HA2 -0.146 3.815 3.960 0.001 0.000 0.212 238 G HA3 -0.146 3.815 3.960 0.001 0.000 0.212 238 G C 1.396 176.202 174.900 -0.157 0.000 1.142 238 G CA 0.599 45.666 45.100 -0.056 0.000 0.789 238 G HN 0.684 nan 8.290 nan 0.000 0.535 239 Q N -0.184 119.455 119.800 -0.269 0.000 2.297 239 Q HA 0.135 4.476 4.340 0.001 0.000 0.204 239 Q C 2.277 178.197 176.000 -0.134 0.000 0.962 239 Q CA 1.194 56.809 55.803 -0.314 0.000 0.879 239 Q CB -0.419 28.056 28.738 -0.438 0.000 0.947 239 Q HN 0.188 nan 8.270 nan 0.000 0.462 240 G N 0.799 109.547 108.800 -0.086 0.000 2.509 240 G HA2 -0.129 3.832 3.960 0.001 0.000 0.218 240 G HA3 -0.129 3.832 3.960 0.001 0.000 0.218 240 G C 0.493 175.375 174.900 -0.030 0.000 1.124 240 G CA 0.430 45.505 45.100 -0.042 0.000 0.776 240 G HN 0.346 nan 8.290 nan 0.000 0.547 241 S N -0.648 115.031 115.700 -0.035 0.000 2.617 241 S HA 0.340 4.811 4.470 0.001 0.000 0.283 241 S C 0.724 175.307 174.600 -0.029 0.000 1.189 241 S CA -0.614 57.574 58.200 -0.020 0.000 1.036 241 S CB 1.321 64.518 63.200 -0.005 0.000 1.014 241 S HN 0.067 nan 8.310 nan 0.000 0.522 242 D N 1.157 121.540 120.400 -0.027 0.000 2.269 242 D HA 0.033 4.673 4.640 0.001 0.000 0.208 242 D C 0.170 176.440 176.300 -0.051 0.000 0.963 242 D CA 0.937 54.916 54.000 -0.035 0.000 0.864 242 D CB 0.093 40.872 40.800 -0.034 0.000 0.936 242 D HN 0.450 nan 8.370 nan 0.000 0.505 243 Q N 1.652 121.418 119.800 -0.057 0.000 2.295 243 Q HA 0.236 4.577 4.340 0.001 0.000 0.259 243 Q C -2.141 173.837 176.000 -0.037 0.000 0.976 243 Q CA -1.700 54.055 55.803 -0.080 0.000 0.923 243 Q CB 1.231 29.922 28.738 -0.079 0.000 1.185 243 Q HN 0.201 nan 8.270 nan 0.000 0.410 244 P HA 0.307 nan 4.420 nan 0.000 0.279 244 P C -2.566 174.745 177.300 0.018 0.000 1.252 244 P CA -1.628 61.461 63.100 -0.018 0.000 0.811 244 P CB 0.541 32.231 31.700 -0.016 0.000 1.035 245 P HA 0.251 nan 4.420 nan 0.000 0.274 245 P C -0.444 176.880 177.300 0.040 0.000 1.246 245 P CA -0.053 63.102 63.100 0.092 0.000 0.795 245 P CB 0.817 32.597 31.700 0.132 0.000 1.006 246 R N 0.662 121.222 120.500 0.100 0.000 2.604 246 R HA 0.478 4.819 4.340 0.001 0.000 0.281 246 R C -1.089 175.268 176.300 0.094 0.000 1.020 246 R CA -1.027 55.100 56.100 0.044 0.000 0.899 246 R CB 1.552 31.904 30.300 0.087 0.000 1.205 246 R HN 0.408 nan 8.270 nan 0.000 0.450 247 L N 4.194 125.390 121.223 -0.045 0.000 2.280 247 L HA 0.544 4.885 4.340 0.001 0.000 0.287 247 L C -0.832 176.023 176.870 -0.024 0.000 1.023 247 L CA -0.269 54.576 54.840 0.009 0.000 0.819 247 L CB 0.826 42.780 42.059 -0.175 0.000 1.212 247 L HN 0.555 nan 8.230 nan 0.000 0.420 248 I N 5.784 126.361 120.570 0.011 0.000 2.336 248 I HA 0.418 4.589 4.170 0.001 0.000 0.292 248 I C -0.612 175.491 176.117 -0.024 0.000 0.991 248 I CA -0.814 60.482 61.300 -0.007 0.000 1.227 248 I CB 1.744 39.735 38.000 -0.015 0.000 1.366 248 I HN 0.249 nan 8.210 nan 0.000 0.466 249 V N 7.669 127.590 119.914 0.011 0.000 2.384 249 V HA 0.420 4.541 4.120 0.001 0.000 0.287 249 V C -0.334 175.772 176.094 0.021 0.000 1.020 249 V CA -0.528 61.796 62.300 0.041 0.000 0.850 249 V CB 1.484 33.403 31.823 0.161 0.000 0.987 249 V HN 0.413 nan 8.190 nan 0.000 0.436 250 L N 4.799 126.006 121.223 -0.027 0.000 2.342 250 L HA 0.554 4.895 4.340 0.001 0.000 0.276 250 L C -0.089 176.781 176.870 0.002 0.000 0.997 250 L CA -0.132 54.706 54.840 -0.002 0.000 0.838 250 L CB 1.465 43.503 42.059 -0.034 0.000 1.224 250 L HN 0.492 nan 8.230 nan 0.000 0.416 251 N N 2.404 121.131 118.700 0.046 0.000 2.511 251 N HA 0.158 4.899 4.740 0.001 0.000 0.249 251 N C -1.616 173.961 175.510 0.112 0.000 0.971 251 N CA -0.449 52.625 53.050 0.040 0.000 0.938 251 N CB 0.885 39.398 38.487 0.044 0.000 1.131 251 N HN 0.476 nan 8.380 nan 0.000 0.505 252 Y N 3.264 123.561 120.300 -0.004 0.000 2.404 252 Y HA 0.319 4.870 4.550 0.001 0.000 0.344 252 Y C -0.384 175.533 175.900 0.028 0.000 0.970 252 Y CA -0.430 57.680 58.100 0.016 0.000 1.180 252 Y CB 0.794 39.258 38.460 0.006 0.000 1.138 252 Y HN 0.343 nan 8.280 nan 0.000 0.510 253 Q N 5.524 125.064 119.800 -0.434 0.000 2.771 253 Q HA 0.272 4.613 4.340 0.001 0.000 0.239 253 Q C 0.609 176.272 176.000 -0.562 0.000 1.231 253 Q CA 0.113 55.699 55.803 -0.362 0.000 1.056 253 Q CB 1.235 29.883 28.738 -0.150 0.000 1.284 253 Q HN 1.122 nan 8.270 nan 0.000 0.558 254 G N 0.420 108.737 108.800 -0.804 0.000 2.887 254 G HA2 0.157 4.118 3.960 0.001 0.000 0.211 254 G HA3 0.157 4.118 3.960 0.001 0.000 0.211 254 G C 0.646 175.455 174.900 -0.152 0.000 1.152 254 G CA 0.310 45.082 45.100 -0.547 0.000 0.769 254 G HN 0.484 nan 8.290 nan 0.000 0.541 255 G N -0.036 108.704 108.800 -0.100 0.000 2.568 255 G HA2 0.483 4.444 3.960 0.001 0.000 0.293 255 G HA3 0.483 4.444 3.960 0.001 0.000 0.293 255 G C -0.208 174.678 174.900 -0.022 0.000 1.347 255 G CA -0.796 44.297 45.100 -0.012 0.000 1.039 255 G HN 0.210 nan 8.290 nan 0.000 0.523 256 K N -0.491 119.909 120.400 -0.001 0.000 2.276 256 K HA 0.086 4.407 4.320 0.001 0.000 0.259 256 K C 1.143 177.738 176.600 -0.008 0.000 1.001 256 K CA -0.312 55.973 56.287 -0.004 0.000 0.927 256 K CB 1.118 33.620 32.500 0.004 0.000 0.969 256 K HN 0.404 nan 8.250 nan 0.000 0.490 257 K N 1.740 122.136 120.400 -0.008 0.000 2.103 257 K HA -0.146 4.175 4.320 0.001 0.000 0.207 257 K C 1.345 177.944 176.600 -0.001 0.000 1.048 257 K CA 1.881 58.164 56.287 -0.006 0.000 0.930 257 K CB -0.123 32.375 32.500 -0.003 0.000 0.716 257 K HN 0.648 nan 8.250 nan 0.000 0.444 258 A N 0.360 123.180 122.820 -0.001 0.000 2.345 258 A HA 0.136 4.457 4.320 0.001 0.000 0.225 258 A C -0.516 177.064 177.584 -0.006 0.000 1.243 258 A CA -0.262 51.773 52.037 -0.002 0.000 0.875 258 A CB -0.132 18.868 19.000 -0.001 0.000 0.929 258 A HN 0.219 nan 8.150 nan 0.000 0.502 259 D N 1.684 122.079 120.400 -0.007 0.000 2.390 259 D HA 0.182 4.823 4.640 0.001 0.000 0.249 259 D C -0.012 176.262 176.300 -0.043 0.000 1.144 259 D CA 0.403 54.393 54.000 -0.018 0.000 0.880 259 D CB 0.757 41.558 40.800 0.003 0.000 1.182 259 D HN 0.242 nan 8.370 nan 0.000 0.451 260 K N 3.371 123.722 120.400 -0.082 0.000 2.382 260 K HA 0.165 4.486 4.320 0.001 0.000 0.275 260 K C -2.048 174.416 176.600 -0.226 0.000 1.009 260 K CA -1.050 55.165 56.287 -0.120 0.000 0.970 260 K CB 0.427 32.847 32.500 -0.133 0.000 0.934 260 K HN 0.286 nan 8.250 nan 0.000 0.479 261 P HA 0.125 nan 4.420 nan 0.000 0.278 261 P C -0.897 176.179 177.300 -0.374 0.000 1.258 261 P CA -0.291 62.704 63.100 -0.175 0.000 0.811 261 P CB 0.497 32.170 31.700 -0.044 0.000 1.063 262 F N -0.210 119.761 119.950 0.035 0.000 2.404 262 F HA 0.290 4.818 4.527 0.001 0.000 0.345 262 F C 0.572 176.371 175.800 -0.002 0.000 1.110 262 F CA -0.486 57.547 58.000 0.055 0.000 1.130 262 F CB 1.047 40.118 39.000 0.117 0.000 1.129 262 F HN -0.077 nan 8.300 nan 0.000 0.500 263 V N 5.336 125.310 119.914 0.100 0.000 2.417 263 V HA 0.398 4.519 4.120 0.001 0.000 0.291 263 V C -0.186 175.930 176.094 0.037 0.000 1.024 263 V CA -0.786 61.513 62.300 -0.002 0.000 0.861 263 V CB 1.593 33.367 31.823 -0.082 0.000 0.985 263 V HN 0.529 nan 8.190 nan 0.000 0.436 264 L N 5.539 126.773 121.223 0.018 0.000 2.296 264 L HA 0.649 4.990 4.340 0.001 0.000 0.286 264 L C -0.644 176.229 176.870 0.006 0.000 1.023 264 L CA -0.748 54.101 54.840 0.015 0.000 0.812 264 L CB 1.897 43.957 42.059 0.001 0.000 1.223 264 L HN 0.330 nan 8.230 nan 0.000 0.421 265 V N 2.113 122.050 119.914 0.039 0.000 2.378 265 V HA 0.627 4.748 4.120 0.001 0.000 0.288 265 V C 0.435 176.552 176.094 0.038 0.000 1.016 265 V CA -0.455 61.877 62.300 0.054 0.000 0.840 265 V CB 1.551 33.445 31.823 0.117 0.000 0.994 265 V HN 0.874 nan 8.190 nan 0.000 0.431 266 G N 3.207 112.009 108.800 0.003 0.000 2.470 266 G HA2 0.500 4.461 3.960 0.001 0.000 0.320 266 G HA3 0.500 4.461 3.960 0.001 0.000 0.320 266 G C -0.633 174.262 174.900 -0.008 0.000 1.245 266 G CA -0.733 44.367 45.100 -0.001 0.000 0.935 266 G HN 0.669 nan 8.290 nan 0.000 0.476 267 K N 1.343 121.743 120.400 0.000 0.000 2.383 267 K HA 0.353 4.674 4.320 0.001 0.000 0.286 267 K C 0.586 177.178 176.600 -0.014 0.000 1.051 267 K CA -0.083 56.188 56.287 -0.028 0.000 0.974 267 K CB 0.458 32.953 32.500 -0.009 0.000 0.968 267 K HN 0.450 nan 8.250 nan 0.000 0.475 268 G N 6.282 115.065 108.800 -0.028 0.000 4.975 268 G HA2 0.236 4.197 3.960 0.001 0.000 0.312 268 G HA3 0.236 4.197 3.960 0.001 0.000 0.312 268 G C -0.362 174.546 174.900 0.014 0.000 1.425 268 G CA -0.493 44.617 45.100 0.018 0.000 1.076 268 G HN 0.517 nan 8.290 nan 0.000 0.586 269 I N 2.979 123.538 120.570 -0.018 0.000 2.347 269 I HA 0.088 4.259 4.170 0.001 0.000 0.294 269 I C 1.878 177.989 176.117 -0.011 0.000 1.090 269 I CA 0.048 61.334 61.300 -0.024 0.000 1.314 269 I CB 0.354 38.313 38.000 -0.067 0.000 1.423 269 I HN 0.318 nan 8.210 nan 0.000 0.503 270 T N 3.177 117.759 114.554 0.047 0.000 2.985 270 T HA -0.007 4.344 4.350 0.001 0.000 0.266 270 T C 0.306 175.076 174.700 0.117 0.000 1.076 270 T CA 0.648 62.791 62.100 0.072 0.000 1.135 270 T CB 0.062 69.004 68.868 0.124 0.000 0.890 270 T HN 0.286 nan 8.240 nan 0.000 0.480 271 F N 0.861 120.778 119.950 -0.055 0.000 2.615 271 F HA 0.498 5.026 4.527 0.001 0.000 0.312 271 F C -2.153 173.611 175.800 -0.060 0.000 1.119 271 F CA -1.624 56.327 58.000 -0.083 0.000 0.979 271 F CB 2.133 41.083 39.000 -0.084 0.000 1.266 271 F HN -0.141 nan 8.300 nan 0.000 0.444 272 D N 2.728 122.634 120.400 -0.822 0.000 2.464 272 D HA 0.202 4.843 4.640 0.001 0.000 0.243 272 D C 0.805 176.803 176.300 -0.504 0.000 1.104 272 D CA 0.031 53.751 54.000 -0.467 0.000 0.883 272 D CB 1.283 41.877 40.800 -0.344 0.000 1.050 272 D HN 0.611 nan 8.370 nan 0.000 0.524 273 T N 0.260 114.729 114.554 -0.142 0.000 3.088 273 T HA 0.239 4.590 4.350 0.001 0.000 0.259 273 T C 1.573 176.259 174.700 -0.024 0.000 1.122 273 T CA 0.692 62.805 62.100 0.022 0.000 1.095 273 T CB 0.107 69.068 68.868 0.155 0.000 0.930 273 T HN 0.519 nan 8.240 nan 0.000 0.508 274 G N 0.714 109.479 108.800 -0.060 0.000 2.241 274 G HA2 0.108 4.069 3.960 0.001 0.000 0.244 274 G HA3 0.108 4.069 3.960 0.001 0.000 0.244 274 G C 1.186 176.072 174.900 -0.023 0.000 0.998 274 G CA 0.385 45.460 45.100 -0.042 0.000 0.621 274 G HN 1.757 nan 8.290 nan 0.000 0.519 275 G N 0.252 109.049 108.800 -0.005 0.000 2.539 275 G HA2 -0.153 3.808 3.960 0.001 0.000 0.256 275 G HA3 -0.153 3.808 3.960 0.001 0.000 0.256 275 G C 0.917 175.818 174.900 0.003 0.000 1.233 275 G CA 0.530 45.630 45.100 0.000 0.000 0.936 275 G HN 0.971 nan 8.290 nan 0.000 0.571 276 I N 1.423 121.993 120.570 0.000 0.000 2.264 276 I HA -0.078 4.093 4.170 0.001 0.000 0.248 276 I C 2.249 178.367 176.117 0.002 0.000 1.111 276 I CA 2.047 63.348 61.300 0.002 0.000 1.382 276 I CB -1.429 36.573 38.000 0.002 0.000 1.060 276 I HN 0.353 nan 8.210 nan 0.000 0.418 277 S N 2.585 118.283 115.700 -0.003 0.000 4.117 277 S HA 0.115 4.586 4.470 0.001 0.000 0.191 277 S C 0.276 174.873 174.600 -0.005 0.000 1.308 277 S CA -0.308 57.889 58.200 -0.005 0.000 0.906 277 S CB -1.016 62.178 63.200 -0.010 0.000 1.565 277 S HN 0.139 nan 8.310 nan 0.000 0.439 278 L N 2.752 123.976 121.223 0.001 0.000 2.456 278 L HA 0.173 4.514 4.340 0.001 0.000 0.272 278 L C 0.453 177.325 176.870 0.004 0.000 1.189 278 L CA 0.424 55.268 54.840 0.006 0.000 0.846 278 L CB 0.405 42.472 42.059 0.014 0.000 1.111 278 L HN 0.259 nan 8.230 nan 0.000 0.475 279 K N 4.981 125.383 120.400 0.003 0.000 2.219 279 K HA 0.260 4.580 4.320 0.001 0.000 0.258 279 K C -2.117 174.492 176.600 0.015 0.000 1.008 279 K CA -1.396 54.892 56.287 0.002 0.000 0.928 279 K CB -0.057 32.437 32.500 -0.011 0.000 0.983 279 K HN 0.517 nan 8.250 nan 0.000 0.484 280 P HA -0.009 nan 4.420 nan 0.000 0.270 280 P C 0.535 177.853 177.300 0.029 0.000 1.223 280 P CA -0.177 62.935 63.100 0.019 0.000 0.785 280 P CB 0.515 32.225 31.700 0.016 0.000 0.923 281 G N 0.749 109.567 108.800 0.029 0.000 2.422 281 G HA2 -0.006 3.955 3.960 0.001 0.000 0.218 281 G HA3 -0.006 3.955 3.960 0.001 0.000 0.218 281 G C 0.586 175.511 174.900 0.041 0.000 1.140 281 G CA 0.528 45.650 45.100 0.037 0.000 0.775 281 G HN 0.794 nan 8.290 nan 0.000 0.545 282 A N -0.025 122.815 122.820 0.034 0.000 2.491 282 A HA 0.492 4.813 4.320 0.001 0.000 0.261 282 A C 1.685 179.298 177.584 0.048 0.000 1.101 282 A CA 0.826 52.884 52.037 0.036 0.000 0.772 282 A CB -0.466 18.551 19.000 0.028 0.000 1.043 282 A HN 1.693 nan 8.150 nan 0.000 0.501 283 G N 2.085 110.920 108.800 0.058 0.000 2.168 283 G HA2 -0.337 3.624 3.960 0.001 0.000 0.263 283 G HA3 -0.337 3.624 3.960 0.001 0.000 0.263 283 G C 0.900 175.852 174.900 0.086 0.000 0.977 283 G CA 0.722 45.870 45.100 0.080 0.000 0.659 283 G HN 0.860 nan 8.290 nan 0.000 0.533 284 M N 0.891 120.541 119.600 0.083 0.000 2.358 284 M HA -0.064 4.417 4.480 0.001 0.000 0.264 284 M C 2.399 178.801 176.300 0.170 0.000 1.064 284 M CA 2.441 57.803 55.300 0.102 0.000 1.093 284 M CB -0.279 32.406 32.600 0.141 0.000 1.401 284 M HN 0.428 nan 8.290 nan 0.000 0.440 285 D N -0.171 120.316 120.400 0.144 0.000 2.265 285 D HA -0.238 4.403 4.640 0.001 0.000 0.208 285 D C 1.127 177.450 176.300 0.038 0.000 0.977 285 D CA 1.392 55.470 54.000 0.130 0.000 0.871 285 D CB -0.808 40.012 40.800 0.034 0.000 0.925 285 D HN 0.522 nan 8.370 nan 0.000 0.485 286 E N -0.748 119.455 120.200 0.005 0.000 2.478 286 E HA 0.009 4.360 4.350 0.001 0.000 0.198 286 E C 1.499 177.878 176.600 -0.369 0.000 1.046 286 E CA 0.142 56.471 56.400 -0.117 0.000 0.870 286 E CB -0.053 29.738 29.700 0.152 0.000 0.818 286 E HN 0.262 nan 8.360 nan 0.000 0.527 287 M N 0.878 120.293 119.600 -0.308 0.000 2.659 287 M HA -0.063 4.417 4.480 0.001 0.000 0.243 287 M C 1.752 177.735 176.300 -0.528 0.000 1.111 287 M CA 0.969 55.939 55.300 -0.550 0.000 1.070 287 M CB -0.544 31.524 32.600 -0.886 0.000 1.525 287 M HN 0.073 nan 8.290 nan 0.000 0.517 288 K N -0.592 119.630 120.400 -0.297 0.000 2.362 288 K HA -0.139 4.182 4.320 0.001 0.000 0.200 288 K C 0.718 176.983 176.600 -0.559 0.000 1.046 288 K CA 1.180 57.290 56.287 -0.294 0.000 0.952 288 K CB -0.372 31.897 32.500 -0.385 0.000 0.753 288 K HN 0.211 nan 8.250 nan 0.000 0.466 289 Y N 1.326 121.307 120.300 -0.532 0.000 2.471 289 Y HA 0.061 4.612 4.550 0.001 0.000 0.286 289 Y C 0.980 176.648 175.900 -0.387 0.000 1.188 289 Y CA -0.122 57.613 58.100 -0.608 0.000 1.286 289 Y CB -0.063 37.617 38.460 -1.300 0.000 1.072 289 Y HN 0.167 nan 8.280 nan 0.000 0.517 290 D N 0.306 120.577 120.400 -0.215 0.000 2.363 290 D HA -0.048 4.593 4.640 0.001 0.000 0.226 290 D C 1.181 177.465 176.300 -0.027 0.000 1.020 290 D CA 0.562 54.510 54.000 -0.088 0.000 0.892 290 D CB 0.065 40.771 40.800 -0.157 0.000 0.900 290 D HN 0.310 nan 8.370 nan 0.000 0.531 291 M N -2.420 117.168 119.600 -0.020 0.000 2.404 291 M HA 0.304 4.785 4.480 0.001 0.000 0.271 291 M C 1.236 177.566 176.300 0.050 0.000 1.128 291 M CA -0.305 55.008 55.300 0.021 0.000 0.982 291 M CB -0.717 31.904 32.600 0.035 0.000 1.445 291 M HN -0.167 nan 8.290 nan 0.000 0.495 292 C N 1.257 120.602 119.300 0.076 0.000 2.432 292 C HA 0.102 4.563 4.460 0.001 0.000 0.282 292 C C 2.745 177.776 174.990 0.068 0.000 1.388 292 C CA 1.198 60.274 59.018 0.097 0.000 1.777 292 C CB -1.584 26.257 27.740 0.169 0.000 1.882 292 C HN 0.838 nan 8.230 nan 0.000 0.520 293 G N 0.803 109.639 108.800 0.060 0.000 2.480 293 G HA2 -0.120 3.841 3.960 0.001 0.000 0.216 293 G HA3 -0.120 3.841 3.960 0.001 0.000 0.216 293 G C 1.917 176.830 174.900 0.022 0.000 1.200 293 G CA 1.088 46.209 45.100 0.035 0.000 0.782 293 G HN 0.581 nan 8.290 nan 0.000 0.554 294 A N 1.093 123.928 122.820 0.026 0.000 1.940 294 A HA 0.190 4.511 4.320 0.001 0.000 0.219 294 A C 2.818 180.447 177.584 0.076 0.000 1.176 294 A CA 2.485 54.533 52.037 0.018 0.000 0.631 294 A CB -0.820 18.204 19.000 0.039 0.000 0.814 294 A HN 0.898 nan 8.150 nan 0.000 0.446 295 A N 0.248 123.124 122.820 0.094 0.000 1.902 295 A HA -0.097 4.224 4.320 0.001 0.000 0.217 295 A C 2.517 180.116 177.584 0.026 0.000 1.181 295 A CA 2.354 54.431 52.037 0.066 0.000 0.623 295 A CB -0.964 18.041 19.000 0.008 0.000 0.818 295 A HN 1.065 nan 8.150 nan 0.000 0.443 296 S N -0.517 115.196 115.700 0.022 0.000 2.423 296 S HA -0.082 4.388 4.470 0.001 0.000 0.231 296 S C 1.714 176.323 174.600 0.015 0.000 1.014 296 S CA 1.308 59.515 58.200 0.012 0.000 0.965 296 S CB -0.704 62.498 63.200 0.003 0.000 0.785 296 S HN 0.234 nan 8.310 nan 0.000 0.495 297 V N 0.739 120.651 119.914 -0.002 0.000 2.358 297 V HA -0.043 4.078 4.120 0.001 0.000 0.246 297 V C 2.233 178.321 176.094 -0.011 0.000 1.047 297 V CA 1.667 63.946 62.300 -0.036 0.000 1.035 297 V CB -1.057 30.709 31.823 -0.095 0.000 0.658 297 V HN 0.408 nan 8.190 nan 0.000 0.452 298 F N 1.658 121.549 119.950 -0.097 0.000 2.126 298 F HA -0.117 4.411 4.527 0.001 0.000 0.299 298 F C 2.393 178.199 175.800 0.010 0.000 1.096 298 F CA 1.772 59.705 58.000 -0.111 0.000 1.255 298 F CB -1.206 37.504 39.000 -0.483 0.000 0.997 298 F HN 0.197 nan 8.300 nan 0.000 0.479 299 G N -1.572 107.324 108.800 0.161 0.000 2.402 299 G HA2 -0.200 3.760 3.960 0.001 0.000 0.216 299 G HA3 -0.200 3.760 3.960 0.001 0.000 0.216 299 G C 1.724 176.709 174.900 0.142 0.000 1.162 299 G CA 1.389 46.608 45.100 0.197 0.000 0.777 299 G HN 0.316 nan 8.290 nan 0.000 0.539 300 T N 1.122 115.721 114.554 0.075 0.000 2.777 300 T HA -0.112 4.238 4.350 0.001 0.000 0.266 300 T C 2.249 176.951 174.700 0.002 0.000 1.040 300 T CA 1.161 63.277 62.100 0.027 0.000 1.141 300 T CB -0.244 68.629 68.868 0.007 0.000 0.868 300 T HN 0.141 nan 8.240 nan 0.000 0.444 301 L N 1.654 122.887 121.223 0.017 0.000 2.042 301 L HA -0.041 4.300 4.340 0.001 0.000 0.210 301 L C 2.492 179.322 176.870 -0.066 0.000 1.076 301 L CA 1.863 56.676 54.840 -0.046 0.000 0.749 301 L CB -0.567 41.489 42.059 -0.004 0.000 0.893 301 L HN 0.094 nan 8.230 nan 0.000 0.432 302 R N -0.449 120.099 120.500 0.079 0.000 2.091 302 R HA -0.164 4.177 4.340 0.001 0.000 0.238 302 R C 2.159 178.443 176.300 -0.028 0.000 1.136 302 R CA 1.558 57.680 56.100 0.037 0.000 0.959 302 R CB -0.488 29.928 30.300 0.194 0.000 0.856 302 R HN 0.506 nan 8.270 nan 0.000 0.437 303 A N 0.273 123.093 122.820 0.001 0.000 1.877 303 A HA -0.100 4.221 4.320 0.001 0.000 0.216 303 A C 2.297 179.836 177.584 -0.076 0.000 1.186 303 A CA 1.658 53.685 52.037 -0.016 0.000 0.620 303 A CB -0.641 18.360 19.000 0.002 0.000 0.822 303 A HN 0.233 nan 8.150 nan 0.000 0.443 304 V N 0.104 119.934 119.914 -0.141 0.000 2.332 304 V HA -0.269 3.852 4.120 0.001 0.000 0.248 304 V C 2.568 178.467 176.094 -0.324 0.000 1.055 304 V CA 1.999 64.157 62.300 -0.236 0.000 1.038 304 V CB -0.766 30.865 31.823 -0.320 0.000 0.651 304 V HN 0.562 nan 8.190 nan 0.000 0.450 305 L N -0.249 120.753 121.223 -0.368 0.000 2.046 305 L HA -0.205 4.136 4.340 0.001 0.000 0.208 305 L C 2.590 179.398 176.870 -0.103 0.000 1.077 305 L CA 2.023 56.666 54.840 -0.329 0.000 0.747 305 L CB -0.565 41.209 42.059 -0.476 0.000 0.896 305 L HN 0.411 nan 8.230 nan 0.000 0.432 306 E N 0.652 120.814 120.200 -0.063 0.000 2.077 306 E HA -0.223 4.128 4.350 0.001 0.000 0.193 306 E C 2.198 178.818 176.600 0.033 0.000 0.989 306 E CA 1.161 57.569 56.400 0.014 0.000 0.800 306 E CB -0.027 29.687 29.700 0.023 0.000 0.746 306 E HN 0.467 nan 8.360 nan 0.000 0.452 307 L N 0.328 121.560 121.223 0.015 0.000 2.492 307 L HA -0.009 4.331 4.340 0.001 0.000 0.223 307 L C 0.407 177.312 176.870 0.057 0.000 1.132 307 L CA 0.091 54.959 54.840 0.047 0.000 0.850 307 L CB 0.030 42.105 42.059 0.026 0.000 0.966 307 L HN 0.163 nan 8.230 nan 0.000 0.454 308 Q N 0.897 120.729 119.800 0.053 0.000 2.435 308 Q HA -0.193 4.148 4.340 0.001 0.000 0.312 308 Q C -0.227 175.872 176.000 0.164 0.000 1.333 308 Q CA 0.800 56.687 55.803 0.139 0.000 0.883 308 Q CB -2.007 26.813 28.738 0.136 0.000 1.170 308 Q HN 0.485 nan 8.270 nan 0.000 0.443 309 L N 1.324 122.623 121.223 0.128 0.000 2.485 309 L HA 0.079 4.420 4.340 0.001 0.000 0.275 309 L C -1.256 175.738 176.870 0.206 0.000 1.207 309 L CA -1.260 53.651 54.840 0.118 0.000 0.855 309 L CB -0.030 42.049 42.059 0.034 0.000 1.114 309 L HN -0.004 nan 8.230 nan 0.000 0.485 310 P HA 0.134 nan 4.420 nan 0.000 0.214 310 P C -0.781 176.580 177.300 0.101 0.000 1.826 310 P CA -0.060 63.097 63.100 0.094 0.000 0.977 310 P CB 0.080 31.814 31.700 0.057 0.000 1.930 311 V N -1.346 118.667 119.914 0.165 0.000 3.040 311 V HA 0.565 4.686 4.120 0.001 0.000 0.312 311 V C -0.625 175.583 176.094 0.190 0.000 1.115 311 V CA -1.410 61.017 62.300 0.212 0.000 0.998 311 V CB 2.208 34.169 31.823 0.230 0.000 1.042 311 V HN -0.005 nan 8.190 nan 0.000 0.433 312 N N 2.118 120.930 118.700 0.187 0.000 2.419 312 N HA 0.640 5.381 4.740 0.001 0.000 0.264 312 N C -1.193 174.459 175.510 0.236 0.000 1.031 312 N CA -0.428 52.688 53.050 0.111 0.000 0.951 312 N CB 1.648 40.156 38.487 0.036 0.000 1.101 312 N HN 0.695 nan 8.380 nan 0.000 0.488 313 L N 3.713 125.085 121.223 0.249 0.000 2.372 313 L HA 0.487 4.828 4.340 0.001 0.000 0.274 313 L C -1.388 175.536 176.870 0.089 0.000 0.988 313 L CA -0.742 54.235 54.840 0.229 0.000 0.833 313 L CB 1.637 43.858 42.059 0.270 0.000 1.236 313 L HN 0.215 nan 8.230 nan 0.000 0.410 314 V N 4.550 124.438 119.914 -0.043 0.000 2.384 314 V HA 0.417 4.538 4.120 0.001 0.000 0.287 314 V C -0.396 175.597 176.094 -0.169 0.000 1.020 314 V CA -0.492 61.673 62.300 -0.225 0.000 0.850 314 V CB 1.360 32.791 31.823 -0.653 0.000 0.987 314 V HN 0.864 nan 8.190 nan 0.000 0.436 315 C N 6.644 125.865 119.300 -0.131 0.000 2.295 315 C HA 0.670 5.131 4.460 0.001 0.000 0.331 315 C C 0.044 174.969 174.990 -0.109 0.000 1.280 315 C CA -0.812 58.138 59.018 -0.113 0.000 1.746 315 C CB 0.065 27.724 27.740 -0.135 0.000 2.328 315 C HN 0.719 nan 8.230 nan 0.000 0.521 316 L N 4.628 125.812 121.223 -0.066 0.000 2.342 316 L HA 0.525 4.866 4.340 0.001 0.000 0.276 316 L C -0.657 176.196 176.870 -0.028 0.000 0.997 316 L CA -0.274 54.559 54.840 -0.012 0.000 0.838 316 L CB 0.778 42.890 42.059 0.088 0.000 1.224 316 L HN 0.518 nan 8.230 nan 0.000 0.416 317 L N 3.592 124.785 121.223 -0.051 0.000 2.276 317 L HA 0.612 4.953 4.340 0.001 0.000 0.286 317 L C 0.390 177.291 176.870 0.052 0.000 1.024 317 L CA -0.483 54.329 54.840 -0.047 0.000 0.826 317 L CB 1.594 43.573 42.059 -0.133 0.000 1.211 317 L HN 0.660 nan 8.230 nan 0.000 0.422 318 A N 3.553 126.391 122.820 0.029 0.000 2.478 318 A HA 0.523 4.844 4.320 0.001 0.000 0.327 318 A C -0.300 177.275 177.584 -0.016 0.000 1.431 318 A CA -0.324 51.718 52.037 0.009 0.000 1.014 318 A CB -0.057 18.751 19.000 -0.320 0.000 1.143 318 A HN 0.770 nan 8.150 nan 0.000 0.532 319 C N 2.349 121.793 119.300 0.240 0.000 2.351 319 C HA 0.932 5.393 4.460 0.001 0.000 0.326 319 C C 0.681 175.823 174.990 0.254 0.000 1.272 319 C CA 0.063 59.189 59.018 0.180 0.000 1.650 319 C CB 0.238 28.088 27.740 0.183 0.000 2.257 319 C HN 1.097 nan 8.230 nan 0.000 0.505 320 A N 2.439 125.344 122.820 0.142 0.000 2.581 320 A HA 0.846 5.167 4.320 0.001 0.000 0.290 320 A C -1.582 176.051 177.584 0.082 0.000 1.119 320 A CA -0.477 51.643 52.037 0.138 0.000 0.670 320 A CB 1.231 20.315 19.000 0.140 0.000 1.280 320 A HN 0.794 nan 8.150 nan 0.000 0.425 321 E N 0.658 120.901 120.200 0.071 0.000 2.218 321 E HA 0.381 4.732 4.350 0.001 0.000 0.263 321 E C -1.416 175.215 176.600 0.051 0.000 0.879 321 E CA -0.610 55.836 56.400 0.077 0.000 0.762 321 E CB 1.098 30.857 29.700 0.098 0.000 1.166 321 E HN 0.542 nan 8.360 nan 0.000 0.415 322 N N 5.562 124.287 118.700 0.041 0.000 2.500 322 N HA 0.206 4.947 4.740 0.001 0.000 0.236 322 N C -1.197 174.340 175.510 0.045 0.000 1.022 322 N CA -0.068 52.990 53.050 0.013 0.000 0.935 322 N CB 0.409 38.878 38.487 -0.030 0.000 1.147 322 N HN 0.470 nan 8.380 nan 0.000 0.512 323 M N 3.314 122.935 119.600 0.035 0.000 2.535 323 M HA 0.510 4.991 4.480 0.001 0.000 0.314 323 M C -2.471 173.841 176.300 0.020 0.000 1.153 323 M CA -2.172 53.154 55.300 0.043 0.000 0.924 323 M CB 1.826 34.446 32.600 0.033 0.000 1.710 323 M HN 0.289 nan 8.290 nan 0.000 0.451 324 P HA 0.467 nan 4.420 nan 0.000 0.286 324 P C -0.940 176.363 177.300 0.005 0.000 1.261 324 P CA -0.138 62.968 63.100 0.011 0.000 0.821 324 P CB 1.391 33.099 31.700 0.014 0.000 1.013 325 S N 0.119 115.819 115.700 0.001 0.000 2.656 325 S HA 0.462 4.933 4.470 0.001 0.000 0.265 325 S C 0.885 175.485 174.600 -0.000 0.000 1.132 325 S CA -0.184 58.015 58.200 -0.001 0.000 0.819 325 S CB 0.294 63.491 63.200 -0.005 0.000 1.119 325 S HN 0.403 nan 8.310 nan 0.000 0.476 326 G N -0.504 108.297 108.800 0.000 0.000 2.744 326 G HA2 0.388 4.349 3.960 0.001 0.000 0.211 326 G HA3 0.388 4.349 3.960 0.001 0.000 0.211 326 G C 0.830 175.733 174.900 0.005 0.000 1.143 326 G CA 0.415 45.517 45.100 0.003 0.000 0.788 326 G HN 1.445 nan 8.290 nan 0.000 0.534 327 G N -0.534 108.268 108.800 0.003 0.000 3.735 327 G HA2 0.528 4.489 3.960 0.001 0.000 0.283 327 G HA3 0.528 4.489 3.960 0.001 0.000 0.283 327 G C 0.471 175.371 174.900 0.000 0.000 1.007 327 G CA 0.599 45.703 45.100 0.007 0.000 0.821 327 G HN 0.548 nan 8.290 nan 0.000 0.505 328 A N 0.146 122.965 122.820 -0.003 0.000 2.304 328 A HA 0.657 4.978 4.320 0.001 0.000 0.271 328 A C 0.740 178.324 177.584 0.001 0.000 1.091 328 A CA -0.069 51.963 52.037 -0.009 0.000 0.812 328 A CB 0.237 19.233 19.000 -0.006 0.000 1.056 328 A HN 0.126 nan 8.150 nan 0.000 0.489 329 T N 1.498 116.051 114.554 -0.001 0.000 2.946 329 T HA 0.257 4.608 4.350 0.001 0.000 0.311 329 T C 0.426 175.132 174.700 0.010 0.000 1.063 329 T CA 0.700 62.808 62.100 0.013 0.000 1.139 329 T CB -0.034 68.842 68.868 0.013 0.000 0.994 329 T HN 0.593 nan 8.240 nan 0.000 0.547 330 R N 3.089 123.598 120.500 0.015 0.000 2.604 330 R HA 0.408 4.749 4.340 0.001 0.000 0.287 330 R C -2.584 173.723 176.300 0.012 0.000 0.970 330 R CA -2.138 53.968 56.100 0.010 0.000 0.946 330 R CB 0.652 30.957 30.300 0.008 0.000 1.127 330 R HN 0.339 nan 8.270 nan 0.000 0.473 331 P HA -0.046 nan 4.420 nan 0.000 0.262 331 P C 0.566 177.876 177.300 0.017 0.000 1.182 331 P CA 1.184 64.293 63.100 0.015 0.000 0.761 331 P CB 0.696 32.404 31.700 0.014 0.000 0.795 332 G N 2.351 111.167 108.800 0.027 0.000 2.217 332 G HA2 -0.195 3.765 3.960 0.001 0.000 0.246 332 G HA3 -0.195 3.765 3.960 0.001 0.000 0.246 332 G C -0.005 174.900 174.900 0.009 0.000 0.990 332 G CA -0.272 44.838 45.100 0.018 0.000 0.627 332 G HN 0.479 nan 8.290 nan 0.000 0.522 333 D N 0.524 120.936 120.400 0.021 0.000 2.472 333 D HA 0.454 5.095 4.640 0.001 0.000 0.237 333 D C 0.781 177.110 176.300 0.048 0.000 1.141 333 D CA 0.556 54.573 54.000 0.028 0.000 0.875 333 D CB 0.748 41.572 40.800 0.040 0.000 1.192 333 D HN 0.401 nan 8.370 nan 0.000 0.450 334 I N 1.668 122.266 120.570 0.046 0.000 2.436 334 I HA 0.293 4.464 4.170 0.001 0.000 0.289 334 I C -0.114 176.049 176.117 0.077 0.000 1.010 334 I CA -0.997 60.346 61.300 0.071 0.000 1.098 334 I CB 1.760 39.799 38.000 0.065 0.000 1.266 334 I HN 0.083 nan 8.210 nan 0.000 0.434 335 V N 1.432 121.406 119.914 0.100 0.000 2.864 335 V HA 0.647 4.767 4.120 0.001 0.000 0.314 335 V C -0.235 175.924 176.094 0.109 0.000 1.073 335 V CA -0.429 61.934 62.300 0.104 0.000 0.956 335 V CB 1.846 33.745 31.823 0.127 0.000 1.023 335 V HN 0.657 nan 8.190 nan 0.000 0.435 336 T N 3.071 117.681 114.554 0.094 0.000 2.743 336 T HA 0.510 4.860 4.350 0.001 0.000 0.292 336 T C 0.455 175.222 174.700 0.113 0.000 0.972 336 T CA 0.221 62.376 62.100 0.092 0.000 0.967 336 T CB 0.686 69.591 68.868 0.061 0.000 0.926 336 T HN 1.242 nan 8.240 nan 0.000 0.459 337 T N 1.537 116.180 114.554 0.149 0.000 2.766 337 T HA 0.207 4.558 4.350 0.001 0.000 0.295 337 T C 1.683 176.473 174.700 0.151 0.000 1.024 337 T CA -0.736 61.471 62.100 0.178 0.000 1.018 337 T CB 0.512 69.554 68.868 0.290 0.000 1.002 337 T HN 0.590 nan 8.240 nan 0.000 0.532 338 M N 1.445 121.139 119.600 0.157 0.000 2.144 338 M HA -0.165 4.316 4.480 0.001 0.000 0.260 338 M C 2.254 178.623 176.300 0.115 0.000 1.067 338 M CA 2.372 57.753 55.300 0.134 0.000 1.095 338 M CB -0.525 32.172 32.600 0.161 0.000 1.365 338 M HN 0.921 nan 8.290 nan 0.000 0.406 339 S N -1.077 114.714 115.700 0.151 0.000 2.474 339 S HA 0.082 4.553 4.470 0.001 0.000 0.235 339 S C 1.606 176.226 174.600 0.033 0.000 0.997 339 S CA 0.994 59.246 58.200 0.087 0.000 0.949 339 S CB -0.400 62.855 63.200 0.091 0.000 0.766 339 S HN 0.822 nan 8.310 nan 0.000 0.517 340 G N 0.277 109.110 108.800 0.056 0.000 2.258 340 G HA2 -0.260 3.701 3.960 0.001 0.000 0.233 340 G HA3 -0.260 3.701 3.960 0.001 0.000 0.233 340 G C -0.054 174.857 174.900 0.019 0.000 1.006 340 G CA 0.056 45.173 45.100 0.027 0.000 0.620 340 G HN 0.614 nan 8.290 nan 0.000 0.511 341 Q N 1.936 121.739 119.800 0.003 0.000 2.330 341 Q HA 0.430 4.771 4.340 0.001 0.000 0.279 341 Q C 0.748 176.793 176.000 0.075 0.000 1.024 341 Q CA 0.944 56.737 55.803 -0.017 0.000 0.900 341 Q CB 0.553 29.200 28.738 -0.152 0.000 1.221 341 Q HN 0.578 nan 8.270 nan 0.000 0.396 342 T N -1.496 113.096 114.554 0.062 0.000 2.907 342 T HA 0.618 4.969 4.350 0.001 0.000 0.284 342 T C -0.225 174.560 174.700 0.141 0.000 1.004 342 T CA -0.849 61.313 62.100 0.103 0.000 1.063 342 T CB 1.214 70.133 68.868 0.084 0.000 0.992 342 T HN 0.269 nan 8.240 nan 0.000 0.483 343 V N 2.000 122.020 119.914 0.178 0.000 2.577 343 V HA 0.426 4.547 4.120 0.001 0.000 0.303 343 V C -0.106 176.099 176.094 0.185 0.000 1.042 343 V CA -0.932 61.507 62.300 0.232 0.000 0.872 343 V CB 1.683 33.704 31.823 0.330 0.000 0.998 343 V HN 1.059 nan 8.190 nan 0.000 0.423 344 E N 4.439 124.750 120.200 0.185 0.000 2.130 344 E HA 0.399 4.750 4.350 0.001 0.000 0.284 344 E C -0.760 175.917 176.600 0.128 0.000 1.018 344 E CA -0.494 55.998 56.400 0.154 0.000 0.817 344 E CB 0.882 30.692 29.700 0.184 0.000 1.078 344 E HN 0.642 nan 8.360 nan 0.000 0.396 345 I N 7.201 127.825 120.570 0.091 0.000 2.243 345 I HA 0.013 4.184 4.170 0.001 0.000 0.297 345 I C 1.075 177.216 176.117 0.041 0.000 1.161 345 I CA -0.081 61.250 61.300 0.052 0.000 1.298 345 I CB 0.374 38.398 38.000 0.041 0.000 1.475 345 I HN 0.659 nan 8.210 nan 0.000 0.561 346 L N 4.028 125.275 121.223 0.041 0.000 2.217 346 L HA -0.003 4.337 4.340 0.001 0.000 0.211 346 L C 0.967 177.846 176.870 0.016 0.000 1.107 346 L CA 0.965 55.829 54.840 0.040 0.000 0.783 346 L CB -0.212 41.876 42.059 0.050 0.000 0.919 346 L HN 0.617 nan 8.230 nan 0.000 0.442 347 N N -1.024 117.672 118.700 -0.006 0.000 2.454 347 N HA 0.051 4.792 4.740 0.001 0.000 0.291 347 N C 0.508 175.998 175.510 -0.033 0.000 1.079 347 N CA 0.106 53.145 53.050 -0.017 0.000 0.893 347 N CB 1.742 40.216 38.487 -0.022 0.000 1.512 347 N HN -0.079 nan 8.380 nan 0.000 0.497 348 T N -0.914 113.625 114.554 -0.025 0.000 3.160 348 T HA -0.017 4.334 4.350 0.001 0.000 0.257 348 T C 0.825 175.497 174.700 -0.046 0.000 1.147 348 T CA 0.639 62.721 62.100 -0.031 0.000 1.064 348 T CB 0.093 68.950 68.868 -0.018 0.000 0.949 348 T HN 0.330 nan 8.240 nan 0.000 0.526 349 D N 1.427 121.798 120.400 -0.048 0.000 2.339 349 D HA 0.278 4.919 4.640 0.001 0.000 0.217 349 D C 0.961 177.216 176.300 -0.076 0.000 1.050 349 D CA -0.068 53.897 54.000 -0.058 0.000 0.856 349 D CB -0.181 40.592 40.800 -0.045 0.000 0.922 349 D HN 0.523 nan 8.370 nan 0.000 0.518 350 A N 1.165 123.929 122.820 -0.093 0.000 3.215 350 A HA 0.179 4.500 4.320 0.001 0.000 0.269 350 A C 1.310 178.793 177.584 -0.169 0.000 1.517 350 A CA -0.369 51.585 52.037 -0.139 0.000 1.221 350 A CB -0.183 18.713 19.000 -0.173 0.000 1.160 350 A HN 0.178 nan 8.150 nan 0.000 0.620 351 E N 0.393 120.514 120.200 -0.132 0.000 2.307 351 E HA 0.000 4.351 4.350 0.001 0.000 0.195 351 E C 1.491 178.001 176.600 -0.150 0.000 0.975 351 E CA 1.158 57.481 56.400 -0.127 0.000 0.878 351 E CB -0.851 28.791 29.700 -0.095 0.000 0.845 351 E HN 0.373 nan 8.360 nan 0.000 0.488 352 G N 2.887 111.605 108.800 -0.135 0.000 2.418 352 G HA2 -0.326 3.634 3.960 0.001 0.000 0.217 352 G HA3 -0.326 3.634 3.960 0.001 0.000 0.217 352 G C 1.880 176.692 174.900 -0.146 0.000 1.158 352 G CA 1.248 46.270 45.100 -0.129 0.000 0.771 352 G HN 0.431 nan 8.290 nan 0.000 0.545 353 R N 0.319 120.718 120.500 -0.170 0.000 2.152 353 R HA 0.113 4.454 4.340 0.001 0.000 0.232 353 R C 2.226 178.447 176.300 -0.131 0.000 1.117 353 R CA 0.999 56.999 56.100 -0.166 0.000 0.981 353 R CB -0.613 29.483 30.300 -0.341 0.000 0.870 353 R HN 0.392 nan 8.270 nan 0.000 0.451 354 L N 1.632 122.745 121.223 -0.184 0.000 2.044 354 L HA -0.100 4.241 4.340 0.001 0.000 0.205 354 L C 2.756 179.528 176.870 -0.163 0.000 1.075 354 L CA 1.151 55.927 54.840 -0.108 0.000 0.747 354 L CB -0.600 41.411 42.059 -0.079 0.000 0.903 354 L HN 0.146 nan 8.230 nan 0.000 0.435 355 V N -2.387 117.345 119.914 -0.303 0.000 2.515 355 V HA -0.180 3.941 4.120 0.001 0.000 0.250 355 V C 2.217 178.031 176.094 -0.468 0.000 1.058 355 V CA 1.216 63.112 62.300 -0.672 0.000 1.064 355 V CB -0.619 30.571 31.823 -1.055 0.000 0.675 355 V HN 0.329 nan 8.190 nan 0.000 0.461 356 L N 0.948 122.014 121.223 -0.262 0.000 2.093 356 L HA -0.138 4.203 4.340 0.001 0.000 0.208 356 L C 3.069 179.861 176.870 -0.131 0.000 1.085 356 L CA 1.784 56.546 54.840 -0.131 0.000 0.755 356 L CB -0.844 41.189 42.059 -0.043 0.000 0.904 356 L HN 0.701 nan 8.230 nan 0.000 0.435 357 C N -1.227 117.915 119.300 -0.263 0.000 2.429 357 C HA -0.133 4.328 4.460 0.001 0.000 0.277 357 C C 2.256 177.024 174.990 -0.370 0.000 1.262 357 C CA 0.500 59.117 59.018 -0.668 0.000 1.733 357 C CB -0.832 25.966 27.740 -1.569 0.000 2.010 357 C HN 0.472 nan 8.230 nan 0.000 0.483 358 D N 0.867 121.185 120.400 -0.138 0.000 2.178 358 D HA -0.043 4.598 4.640 0.001 0.000 0.202 358 D C 2.387 178.812 176.300 0.208 0.000 0.974 358 D CA 1.935 55.996 54.000 0.101 0.000 0.841 358 D CB -0.438 40.500 40.800 0.229 0.000 0.953 358 D HN 0.589 nan 8.370 nan 0.000 0.478 359 T N 0.913 115.575 114.554 0.179 0.000 2.904 359 T HA 0.004 4.355 4.350 0.001 0.000 0.267 359 T C 2.221 177.088 174.700 0.278 0.000 1.059 359 T CA 0.287 62.534 62.100 0.245 0.000 1.137 359 T CB -0.047 68.920 68.868 0.165 0.000 0.879 359 T HN 0.116 nan 8.240 nan 0.000 0.467 360 L N 0.846 122.192 121.223 0.205 0.000 2.083 360 L HA -0.124 4.217 4.340 0.001 0.000 0.209 360 L C 2.873 179.943 176.870 0.334 0.000 1.083 360 L CA 1.177 56.184 54.840 0.278 0.000 0.752 360 L CB -0.981 41.183 42.059 0.174 0.000 0.899 360 L HN 0.280 nan 8.230 nan 0.000 0.433 361 T N -1.544 113.169 114.554 0.266 0.000 2.777 361 T HA -0.242 4.109 4.350 0.001 0.000 0.266 361 T C 1.701 176.552 174.700 0.251 0.000 1.040 361 T CA 1.199 63.441 62.100 0.236 0.000 1.141 361 T CB -0.387 68.613 68.868 0.219 0.000 0.868 361 T HN 0.285 nan 8.240 nan 0.000 0.444 362 Y N 2.106 122.509 120.300 0.172 0.000 2.207 362 Y HA -0.123 4.428 4.550 0.001 0.000 0.287 362 Y C 2.465 178.483 175.900 0.197 0.000 1.156 362 Y CA 0.930 59.123 58.100 0.155 0.000 1.182 362 Y CB -0.519 38.050 38.460 0.183 0.000 0.979 362 Y HN 0.202 nan 8.280 nan 0.000 0.521 363 A N 0.018 123.083 122.820 0.407 0.000 2.125 363 A HA -0.185 4.136 4.320 0.001 0.000 0.219 363 A C 1.994 179.768 177.584 0.317 0.000 1.156 363 A CA 1.587 53.885 52.037 0.435 0.000 0.671 363 A CB -0.639 18.536 19.000 0.292 0.000 0.794 363 A HN 0.662 nan 8.150 nan 0.000 0.459 364 E N -0.071 120.293 120.200 0.273 0.000 2.160 364 E HA -0.256 4.095 4.350 0.001 0.000 0.195 364 E C 2.153 178.756 176.600 0.005 0.000 0.991 364 E CA 1.325 57.859 56.400 0.225 0.000 0.810 364 E CB -0.256 29.514 29.700 0.117 0.000 0.742 364 E HN 0.841 nan 8.360 nan 0.000 0.466 365 R N 0.430 120.781 120.500 -0.249 0.000 2.193 365 R HA -0.128 4.213 4.340 0.001 0.000 0.229 365 R C 1.390 177.409 176.300 -0.469 0.000 1.110 365 R CA 1.274 57.102 56.100 -0.454 0.000 0.988 365 R CB -0.449 29.406 30.300 -0.741 0.000 0.871 365 R HN 0.123 nan 8.270 nan 0.000 0.458 366 F N 1.442 121.365 119.950 -0.046 0.000 2.780 366 F HA 0.214 4.742 4.527 0.001 0.000 0.299 366 F C 0.298 176.083 175.800 -0.026 0.000 1.146 366 F CA -0.028 57.952 58.000 -0.032 0.000 1.428 366 F CB 0.165 39.151 39.000 -0.023 0.000 1.115 366 F HN -0.163 nan 8.300 nan 0.000 0.583 367 K N 0.007 120.470 120.400 0.105 0.000 3.451 367 K HA -0.174 4.147 4.320 0.001 0.000 0.273 367 K C -2.712 173.928 176.600 0.066 0.000 0.944 367 K CA 0.161 56.497 56.287 0.081 0.000 0.734 367 K CB -2.121 30.401 32.500 0.036 0.000 1.437 367 K HN 0.241 nan 8.250 nan 0.000 0.454 368 P HA 0.039 nan 4.420 nan 0.000 0.276 368 P C 0.692 177.958 177.300 -0.058 0.000 1.244 368 P CA -0.246 62.832 63.100 -0.037 0.000 0.801 368 P CB 0.594 32.231 31.700 -0.104 0.000 1.006 369 Q N 0.861 120.553 119.800 -0.181 0.000 2.398 369 Q HA 0.374 4.715 4.340 0.001 0.000 0.204 369 Q C 0.089 176.059 176.000 -0.051 0.000 0.932 369 Q CA 0.110 55.822 55.803 -0.151 0.000 0.916 369 Q CB 0.254 28.824 28.738 -0.280 0.000 1.024 369 Q HN 0.438 nan 8.270 nan 0.000 0.504 370 A N 0.324 123.113 122.820 -0.053 0.000 2.577 370 A HA 0.578 4.899 4.320 0.001 0.000 0.297 370 A C -1.524 176.082 177.584 0.036 0.000 1.060 370 A CA -0.632 51.467 52.037 0.103 0.000 0.697 370 A CB 2.105 21.308 19.000 0.339 0.000 1.281 370 A HN 0.043 nan 8.150 nan 0.000 0.402 371 V N 2.942 122.869 119.914 0.022 0.000 2.483 371 V HA 0.512 4.633 4.120 0.001 0.000 0.297 371 V C -0.683 175.477 176.094 0.109 0.000 1.027 371 V CA -0.138 62.152 62.300 -0.017 0.000 0.855 371 V CB 1.354 32.975 31.823 -0.337 0.000 0.995 371 V HN 0.704 nan 8.190 nan 0.000 0.424 372 I N 4.525 125.125 120.570 0.049 0.000 2.389 372 I HA 0.430 4.600 4.170 0.001 0.000 0.288 372 I C -0.554 175.597 176.117 0.055 0.000 0.999 372 I CA -0.516 60.765 61.300 -0.031 0.000 1.129 372 I CB 1.951 39.867 38.000 -0.141 0.000 1.288 372 I HN 0.776 nan 8.210 nan 0.000 0.444 373 D N 6.799 127.275 120.400 0.126 0.000 2.175 373 D HA 0.665 5.306 4.640 0.001 0.000 0.248 373 D C -0.811 175.555 176.300 0.110 0.000 1.047 373 D CA -0.323 53.786 54.000 0.183 0.000 0.883 373 D CB 1.661 42.670 40.800 0.348 0.000 1.180 373 D HN 0.263 nan 8.370 nan 0.000 0.438 374 I N 1.461 122.076 120.570 0.075 0.000 2.466 374 I HA 0.680 4.851 4.170 0.001 0.000 0.289 374 I C -0.623 175.526 176.117 0.053 0.000 1.026 374 I CA -0.563 60.749 61.300 0.019 0.000 1.078 374 I CB 1.986 39.976 38.000 -0.015 0.000 1.249 374 I HN 0.718 nan 8.210 nan 0.000 0.429 375 A N 2.626 125.477 122.820 0.052 0.000 2.540 375 A HA 0.664 4.985 4.320 0.001 0.000 0.297 375 A C -0.275 177.349 177.584 0.066 0.000 1.056 375 A CA -0.681 51.405 52.037 0.081 0.000 0.700 375 A CB 1.188 20.281 19.000 0.154 0.000 1.280 375 A HN 0.677 nan 8.150 nan 0.000 0.398 376 T N 1.242 115.848 114.554 0.086 0.000 4.104 376 T HA 0.316 4.666 4.350 0.001 0.000 0.285 376 T C 0.663 175.414 174.700 0.086 0.000 1.346 376 T CA 0.000 62.170 62.100 0.117 0.000 1.158 376 T CB -0.309 68.713 68.868 0.257 0.000 1.290 376 T HN 0.535 nan 8.240 nan 0.000 0.975 377 L N 2.599 123.861 121.223 0.065 0.000 2.221 377 L HA 0.328 4.669 4.340 0.001 0.000 0.202 377 L C 1.092 177.981 176.870 0.032 0.000 1.074 377 L CA 1.069 55.948 54.840 0.066 0.000 0.795 377 L CB 0.221 42.373 42.059 0.156 0.000 0.960 377 L HN 0.823 nan 8.230 nan 0.000 0.458 378 T N -4.681 109.884 114.554 0.017 0.000 2.921 378 T HA 0.495 4.846 4.350 0.001 0.000 0.297 378 T C 0.931 175.615 174.700 -0.026 0.000 1.013 378 T CA -0.312 61.786 62.100 -0.003 0.000 0.990 378 T CB 1.363 70.232 68.868 0.002 0.000 1.023 378 T HN 0.099 nan 8.240 nan 0.000 0.447 379 G N 1.350 110.136 108.800 -0.024 0.000 2.450 379 G HA2 -0.014 3.947 3.960 0.001 0.000 0.220 379 G HA3 -0.014 3.947 3.960 0.001 0.000 0.220 379 G C 1.612 176.482 174.900 -0.049 0.000 1.130 379 G CA 0.729 45.805 45.100 -0.040 0.000 0.760 379 G HN 1.179 nan 8.290 nan 0.000 0.557 380 A N -0.238 122.561 122.820 -0.036 0.000 2.024 380 A HA -0.120 4.201 4.320 0.001 0.000 0.220 380 A C 2.511 180.064 177.584 -0.051 0.000 1.164 380 A CA 1.695 53.709 52.037 -0.037 0.000 0.643 380 A CB -1.047 17.938 19.000 -0.026 0.000 0.806 380 A HN 0.479 nan 8.150 nan 0.000 0.451 381 C N -0.538 118.728 119.300 -0.058 0.000 2.435 381 C HA 0.013 4.474 4.460 0.001 0.000 0.279 381 C C 2.519 177.449 174.990 -0.100 0.000 1.321 381 C CA 0.868 59.842 59.018 -0.073 0.000 1.752 381 C CB -1.375 26.318 27.740 -0.077 0.000 1.959 381 C HN 0.613 nan 8.230 nan 0.000 0.500 382 I N 0.098 120.598 120.570 -0.116 0.000 2.315 382 I HA -0.118 4.052 4.170 0.001 0.000 0.248 382 I C 2.425 178.475 176.117 -0.113 0.000 1.117 382 I CA 1.139 62.352 61.300 -0.144 0.000 1.404 382 I CB -0.584 37.314 38.000 -0.170 0.000 1.071 382 I HN 0.120 nan 8.210 nan 0.000 0.419 383 V N 1.256 121.119 119.914 -0.085 0.000 2.407 383 V HA -0.273 3.848 4.120 0.001 0.000 0.248 383 V C 2.701 178.754 176.094 -0.068 0.000 1.055 383 V CA 2.099 64.358 62.300 -0.068 0.000 1.049 383 V CB -0.884 30.910 31.823 -0.048 0.000 0.662 383 V HN 0.496 nan 8.190 nan 0.000 0.455 384 A N -0.948 121.831 122.820 -0.069 0.000 1.874 384 A HA 0.085 4.406 4.320 0.001 0.000 0.214 384 A C 1.946 179.476 177.584 -0.090 0.000 1.189 384 A CA 1.376 53.373 52.037 -0.067 0.000 0.615 384 A CB -0.137 18.831 19.000 -0.052 0.000 0.830 384 A HN 0.498 nan 8.150 nan 0.000 0.443 385 L N -2.095 119.068 121.223 -0.099 0.000 3.086 385 L HA 0.373 4.714 4.340 0.001 0.000 0.274 385 L C 1.264 178.059 176.870 -0.125 0.000 1.184 385 L CA 0.133 54.904 54.840 -0.115 0.000 1.002 385 L CB 0.280 42.286 42.059 -0.089 0.000 1.383 385 L HN 0.617 nan 8.230 nan 0.000 0.582 386 G N 1.497 110.212 108.800 -0.142 0.000 2.564 386 G HA2 -0.390 3.571 3.960 0.001 0.000 0.273 386 G HA3 -0.390 3.571 3.960 0.001 0.000 0.273 386 G C 0.751 175.488 174.900 -0.272 0.000 1.242 386 G CA 0.410 45.398 45.100 -0.188 0.000 0.951 386 G HN 0.388 nan 8.290 nan 0.000 0.564 387 S N -1.215 114.232 115.700 -0.421 0.000 2.548 387 S HA 0.159 4.630 4.470 0.001 0.000 0.215 387 S C 1.459 175.745 174.600 -0.524 0.000 0.976 387 S CA 1.266 59.153 58.200 -0.522 0.000 0.908 387 S CB -0.057 62.779 63.200 -0.607 0.000 0.781 387 S HN 0.724 nan 8.310 nan 0.000 0.519 388 H N 1.085 120.079 119.070 -0.127 0.000 2.582 388 H HA 0.315 4.872 4.556 0.001 0.000 0.269 388 H C -0.128 175.148 175.328 -0.087 0.000 0.962 388 H CA 0.695 56.681 56.048 -0.103 0.000 1.230 388 H CB 0.418 30.122 29.762 -0.098 0.000 1.445 388 H HN 0.358 nan 8.280 nan 0.000 0.528 389 T N 1.243 115.790 114.554 -0.012 0.000 2.928 389 T HA 0.234 4.585 4.350 0.001 0.000 0.296 389 T C -0.012 174.670 174.700 -0.031 0.000 1.000 389 T CA -0.588 61.513 62.100 0.002 0.000 0.989 389 T CB 2.567 71.439 68.868 0.007 0.000 1.005 389 T HN -0.072 nan 8.240 nan 0.000 0.442 390 T N 2.670 117.207 114.554 -0.028 0.000 2.919 390 T HA 0.451 4.801 4.350 0.001 0.000 0.302 390 T C 1.009 175.681 174.700 -0.046 0.000 1.031 390 T CA -0.351 61.709 62.100 -0.065 0.000 1.127 390 T CB 0.658 69.478 68.868 -0.080 0.000 0.952 390 T HN 0.735 nan 8.240 nan 0.000 0.540 391 G N 1.762 110.510 108.800 -0.086 0.000 2.403 391 G HA2 0.497 4.458 3.960 0.001 0.000 0.259 391 G HA3 0.497 4.458 3.960 0.001 0.000 0.259 391 G C -1.013 173.788 174.900 -0.165 0.000 1.244 391 G CA -0.331 44.719 45.100 -0.083 0.000 0.849 391 G HN 0.586 nan 8.290 nan 0.000 0.532 392 L N 2.308 123.445 121.223 -0.142 0.000 2.410 392 L HA 0.840 5.181 4.340 0.001 0.000 0.270 392 L C -0.438 176.315 176.870 -0.194 0.000 0.983 392 L CA -0.672 54.043 54.840 -0.209 0.000 0.822 392 L CB 1.944 43.892 42.059 -0.185 0.000 1.285 392 L HN 0.584 nan 8.230 nan 0.000 0.409 393 M N 3.221 122.684 119.600 -0.228 0.000 2.631 393 M HA 0.930 5.411 4.480 0.001 0.000 0.288 393 M C -0.139 175.953 176.300 -0.347 0.000 1.260 393 M CA -0.336 54.854 55.300 -0.184 0.000 0.842 393 M CB 2.582 35.163 32.600 -0.031 0.000 1.743 393 M HN 0.734 nan 8.290 nan 0.000 0.461 394 G N 0.307 108.953 108.800 -0.255 0.000 2.488 394 G HA2 0.350 4.311 3.960 0.001 0.000 0.301 394 G HA3 0.350 4.311 3.960 0.001 0.000 0.301 394 G C -1.261 173.676 174.900 0.061 0.000 1.339 394 G CA -0.593 44.303 45.100 -0.340 0.000 0.803 394 G HN 0.783 nan 8.290 nan 0.000 0.482 395 N N -1.036 117.812 118.700 0.247 0.000 2.184 395 N HA 0.173 4.914 4.740 0.001 0.000 0.206 395 N C -0.137 175.482 175.510 0.183 0.000 1.151 395 N CA -0.342 52.885 53.050 0.294 0.000 0.878 395 N CB 0.709 39.449 38.487 0.420 0.000 1.014 395 N HN 0.329 nan 8.380 nan 0.000 0.512 396 N N 0.128 118.905 118.700 0.128 0.000 2.410 396 N HA 0.251 4.992 4.740 0.001 0.000 0.287 396 N C -0.469 175.070 175.510 0.048 0.000 1.044 396 N CA -0.370 52.737 53.050 0.096 0.000 0.881 396 N CB 1.703 40.261 38.487 0.119 0.000 1.405 396 N HN -0.167 nan 8.380 nan 0.000 0.490 397 D N 1.545 121.970 120.400 0.043 0.000 2.144 397 D HA -0.109 4.531 4.640 0.001 0.000 0.200 397 D C 0.553 176.862 176.300 0.014 0.000 0.978 397 D CA 1.136 55.146 54.000 0.017 0.000 0.833 397 D CB 0.267 41.080 40.800 0.021 0.000 0.961 397 D HN 0.604 nan 8.370 nan 0.000 0.470 398 D N 0.226 120.648 120.400 0.037 0.000 2.097 398 D HA -0.121 4.519 4.640 0.001 0.000 0.195 398 D C 2.102 178.437 176.300 0.059 0.000 0.989 398 D CA 0.342 54.370 54.000 0.047 0.000 0.827 398 D CB -0.308 40.531 40.800 0.064 0.000 0.966 398 D HN 0.116 nan 8.370 nan 0.000 0.456 399 L N 0.496 121.758 121.223 0.065 0.000 2.017 399 L HA -0.126 4.215 4.340 0.001 0.000 0.208 399 L C 2.206 179.063 176.870 -0.022 0.000 1.073 399 L CA 1.347 56.224 54.840 0.063 0.000 0.745 399 L CB -0.617 41.476 42.059 0.056 0.000 0.894 399 L HN -0.105 nan 8.230 nan 0.000 0.432 400 V N 0.327 120.206 119.914 -0.057 0.000 2.332 400 V HA -0.264 3.857 4.120 0.001 0.000 0.248 400 V C 2.612 178.653 176.094 -0.087 0.000 1.055 400 V CA 1.931 64.166 62.300 -0.108 0.000 1.038 400 V CB -1.639 30.114 31.823 -0.116 0.000 0.651 400 V HN 0.656 nan 8.190 nan 0.000 0.450 401 G N -1.555 107.215 108.800 -0.049 0.000 2.408 401 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 401 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 401 G C 1.496 176.393 174.900 -0.005 0.000 1.150 401 G CA 0.672 45.748 45.100 -0.040 0.000 0.776 401 G HN 0.543 nan 8.290 nan 0.000 0.542 402 Q N -0.413 119.413 119.800 0.043 0.000 2.119 402 Q HA 0.066 4.407 4.340 0.001 0.000 0.201 402 Q C 2.609 178.678 176.000 0.115 0.000 0.972 402 Q CA 0.787 56.660 55.803 0.117 0.000 0.847 402 Q CB -0.184 28.703 28.738 0.248 0.000 0.903 402 Q HN 0.446 nan 8.270 nan 0.000 0.433 403 L N 0.024 121.249 121.223 0.004 0.000 2.072 403 L HA -0.170 4.170 4.340 0.001 0.000 0.205 403 L C 2.212 179.053 176.870 -0.048 0.000 1.079 403 L CA 0.747 55.542 54.840 -0.076 0.000 0.752 403 L CB -0.322 41.604 42.059 -0.221 0.000 0.906 403 L HN 0.231 nan 8.230 nan 0.000 0.436 404 L N -0.305 120.880 121.223 -0.064 0.000 2.012 404 L HA -0.264 4.077 4.340 0.001 0.000 0.210 404 L C 2.213 179.072 176.870 -0.019 0.000 1.073 404 L CA 1.546 56.349 54.840 -0.062 0.000 0.748 404 L CB -0.514 41.475 42.059 -0.116 0.000 0.891 404 L HN 0.272 nan 8.230 nan 0.000 0.431 405 D N -0.330 120.068 120.400 -0.003 0.000 2.117 405 D HA -0.150 4.491 4.640 0.001 0.000 0.198 405 D C 2.174 178.495 176.300 0.036 0.000 0.982 405 D CA 1.212 55.222 54.000 0.017 0.000 0.828 405 D CB 0.108 40.921 40.800 0.022 0.000 0.967 405 D HN 0.257 nan 8.370 nan 0.000 0.464 406 A N 0.143 122.995 122.820 0.053 0.000 1.892 406 A HA -0.080 4.241 4.320 0.001 0.000 0.218 406 A C 2.392 180.002 177.584 0.044 0.000 1.188 406 A CA 2.201 54.276 52.037 0.063 0.000 0.631 406 A CB -1.453 17.616 19.000 0.113 0.000 0.822 406 A HN 0.368 nan 8.150 nan 0.000 0.447 407 G N -0.505 108.311 108.800 0.026 0.000 2.440 407 G HA2 -0.247 3.713 3.960 0.001 0.000 0.218 407 G HA3 -0.247 3.713 3.960 0.001 0.000 0.218 407 G C 1.683 176.603 174.900 0.034 0.000 1.154 407 G CA 1.183 46.296 45.100 0.021 0.000 0.767 407 G HN 0.604 nan 8.290 nan 0.000 0.552 408 K N -0.058 120.365 120.400 0.038 0.000 2.026 408 K HA -0.004 4.317 4.320 0.001 0.000 0.208 408 K C 2.691 179.319 176.600 0.046 0.000 1.048 408 K CA 0.948 57.261 56.287 0.045 0.000 0.929 408 K CB -0.158 32.368 32.500 0.043 0.000 0.713 408 K HN 0.129 nan 8.250 nan 0.000 0.439 409 R N 0.111 120.642 120.500 0.051 0.000 2.148 409 R HA 0.008 4.348 4.340 0.001 0.000 0.223 409 R C 1.962 178.301 176.300 0.064 0.000 1.088 409 R CA 0.924 57.064 56.100 0.066 0.000 0.985 409 R CB -0.014 30.336 30.300 0.084 0.000 0.880 409 R HN 0.155 nan 8.270 nan 0.000 0.451 410 A N 0.805 123.656 122.820 0.052 0.000 2.218 410 A HA -0.038 4.283 4.320 0.001 0.000 0.209 410 A C 0.250 177.853 177.584 0.032 0.000 1.168 410 A CA 0.335 52.396 52.037 0.041 0.000 0.804 410 A CB 0.119 19.140 19.000 0.035 0.000 0.834 410 A HN 0.349 nan 8.150 nan 0.000 0.482 411 D N -0.573 119.847 120.400 0.034 0.000 2.697 411 D HA -0.173 4.467 4.640 0.001 0.000 0.238 411 D C -0.572 175.739 176.300 0.019 0.000 1.152 411 D CA 1.262 55.279 54.000 0.029 0.000 0.666 411 D CB -1.162 39.657 40.800 0.031 0.000 1.037 411 D HN 0.402 nan 8.370 nan 0.000 0.423 412 D N 0.351 120.762 120.400 0.019 0.000 2.621 412 D HA 0.228 4.869 4.640 0.001 0.000 0.274 412 D C -0.252 176.056 176.300 0.012 0.000 1.215 412 D CA -0.450 53.555 54.000 0.008 0.000 0.810 412 D CB 0.137 40.938 40.800 0.000 0.000 1.248 412 D HN 0.250 nan 8.370 nan 0.000 0.517 413 R N 0.553 121.069 120.500 0.027 0.000 2.582 413 R HA 0.736 5.077 4.340 0.001 0.000 0.271 413 R C 0.105 176.434 176.300 0.048 0.000 1.078 413 R CA -0.322 55.808 56.100 0.049 0.000 1.127 413 R CB 1.405 31.754 30.300 0.081 0.000 1.038 413 R HN 0.295 nan 8.270 nan 0.000 0.500 414 A N 2.063 124.919 122.820 0.059 0.000 2.347 414 A HA 0.657 4.978 4.320 0.001 0.000 0.301 414 A C -1.726 175.970 177.584 0.187 0.000 1.163 414 A CA -0.577 51.497 52.037 0.061 0.000 0.860 414 A CB 1.563 20.546 19.000 -0.028 0.000 1.367 414 A HN 0.740 nan 8.150 nan 0.000 0.461 415 W N 0.780 122.028 121.300 -0.086 0.000 3.439 415 W HA 0.325 4.985 4.660 0.001 0.000 0.323 415 W C -1.157 175.306 176.519 -0.092 0.000 1.174 415 W CA -0.191 57.109 57.345 -0.075 0.000 1.224 415 W CB 1.425 30.847 29.460 -0.064 0.000 1.348 415 W HN 0.935 nan 8.180 nan 0.000 0.498 416 Q N 4.031 123.548 119.800 -0.472 0.000 2.327 416 Q HA 0.430 4.771 4.340 0.001 0.000 0.254 416 Q C -1.038 174.872 176.000 -0.150 0.000 0.952 416 Q CA 0.214 55.840 55.803 -0.294 0.000 0.884 416 Q CB 1.044 29.576 28.738 -0.342 0.000 1.224 416 Q HN 0.556 nan 8.270 nan 0.000 0.422 417 L N 5.350 126.510 121.223 -0.104 0.000 2.333 417 L HA 0.633 4.974 4.340 0.001 0.000 0.269 417 L C -2.193 174.557 176.870 -0.201 0.000 1.010 417 L CA -2.330 52.445 54.840 -0.107 0.000 0.818 417 L CB 2.007 44.016 42.059 -0.084 0.000 1.306 417 L HN 0.653 nan 8.230 nan 0.000 0.430 418 P HA 0.239 nan 4.420 nan 0.000 0.288 418 P C -0.756 176.310 177.300 -0.390 0.000 1.267 418 P CA -0.356 62.431 63.100 -0.522 0.000 0.815 418 P CB 1.317 32.257 31.700 -1.266 0.000 0.989 419 L N 2.863 123.993 121.223 -0.156 0.000 2.956 419 L HA 0.287 4.628 4.340 0.001 0.000 0.232 419 L C 0.174 177.213 176.870 0.281 0.000 1.291 419 L CA -0.729 54.146 54.840 0.060 0.000 1.122 419 L CB -0.705 41.442 42.059 0.145 0.000 1.461 419 L HN 0.175 nan 8.230 nan 0.000 0.470 420 F N 0.376 120.534 119.950 0.347 0.000 2.595 420 F HA -0.076 4.452 4.527 0.001 0.000 0.359 420 F C 1.686 177.612 175.800 0.210 0.000 1.147 420 F CA -0.232 57.923 58.000 0.258 0.000 1.341 420 F CB 0.206 39.331 39.000 0.209 0.000 1.104 420 F HN 0.219 nan 8.300 nan 0.000 0.603 421 D N 1.074 121.651 120.400 0.294 0.000 2.221 421 D HA -0.186 4.455 4.640 0.001 0.000 0.204 421 D C 1.629 177.991 176.300 0.103 0.000 0.982 421 D CA 1.436 55.531 54.000 0.159 0.000 0.857 421 D CB 0.190 41.038 40.800 0.079 0.000 0.934 421 D HN 0.561 nan 8.370 nan 0.000 0.475 422 E N -1.027 119.190 120.200 0.030 0.000 2.209 422 E HA -0.182 4.169 4.350 0.001 0.000 0.196 422 E C 1.463 178.005 176.600 -0.098 0.000 0.993 422 E CA 0.894 57.236 56.400 -0.098 0.000 0.819 422 E CB -0.303 29.259 29.700 -0.230 0.000 0.745 422 E HN 0.574 nan 8.360 nan 0.000 0.477 423 Y N 0.546 120.922 120.300 0.126 0.000 2.395 423 Y HA -0.066 4.485 4.550 0.001 0.000 0.293 423 Y C 2.181 178.133 175.900 0.087 0.000 1.123 423 Y CA 0.602 58.763 58.100 0.103 0.000 1.227 423 Y CB -0.055 38.468 38.460 0.105 0.000 1.012 423 Y HN -0.024 nan 8.280 nan 0.000 0.552 424 Q N 0.979 120.910 119.800 0.219 0.000 2.133 424 Q HA -0.261 4.080 4.340 0.001 0.000 0.208 424 Q C 1.900 177.963 176.000 0.104 0.000 0.991 424 Q CA 2.046 57.934 55.803 0.142 0.000 0.867 424 Q CB -0.635 28.159 28.738 0.094 0.000 0.911 424 Q HN 0.782 nan 8.270 nan 0.000 0.417 425 E N 0.287 120.532 120.200 0.077 0.000 2.401 425 E HA -0.188 4.163 4.350 0.001 0.000 0.199 425 E C 1.552 178.191 176.600 0.066 0.000 1.023 425 E CA 0.625 57.056 56.400 0.052 0.000 0.859 425 E CB -0.234 29.481 29.700 0.026 0.000 0.780 425 E HN 0.436 nan 8.360 nan 0.000 0.523 426 Q N 0.433 120.291 119.800 0.097 0.000 2.364 426 Q HA -0.015 4.326 4.340 0.001 0.000 0.207 426 Q C 1.819 177.879 176.000 0.099 0.000 0.970 426 Q CA 0.806 56.669 55.803 0.099 0.000 0.888 426 Q CB -0.016 28.802 28.738 0.132 0.000 0.951 426 Q HN 0.429 nan 8.270 nan 0.000 0.469 427 L N 0.538 121.830 121.223 0.115 0.000 2.592 427 L HA 0.077 4.418 4.340 0.001 0.000 0.227 427 L C -0.085 176.847 176.870 0.103 0.000 1.127 427 L CA -0.396 54.526 54.840 0.136 0.000 0.884 427 L CB 0.109 42.282 42.059 0.191 0.000 1.065 427 L HN 0.023 nan 8.230 nan 0.000 0.457 428 D N 0.683 121.121 120.400 0.064 0.000 2.443 428 D HA 0.071 4.712 4.640 0.001 0.000 0.239 428 D C 0.228 176.543 176.300 0.025 0.000 1.136 428 D CA 0.513 54.533 54.000 0.033 0.000 0.879 428 D CB 1.219 42.024 40.800 0.008 0.000 1.195 428 D HN -0.082 nan 8.370 nan 0.000 0.443 429 S N 1.139 116.844 115.700 0.009 0.000 2.521 429 S HA 0.486 4.957 4.470 0.001 0.000 0.295 429 S C -2.060 172.463 174.600 -0.129 0.000 1.098 429 S CA -1.456 56.735 58.200 -0.014 0.000 0.999 429 S CB 1.618 64.865 63.200 0.079 0.000 1.034 429 S HN 0.054 nan 8.310 nan 0.000 0.483 430 P HA 0.116 nan 4.420 nan 0.000 0.226 430 P C 0.233 177.207 177.300 -0.544 0.000 1.153 430 P CA 0.877 63.641 63.100 -0.560 0.000 0.777 430 P CB -0.009 31.094 31.700 -0.994 0.000 0.794 431 F N -0.854 119.112 119.950 0.027 0.000 2.532 431 F HA 0.420 4.947 4.527 0.001 0.000 0.278 431 F C 1.594 177.411 175.800 0.028 0.000 0.975 431 F CA -0.189 57.827 58.000 0.026 0.000 1.292 431 F CB -1.040 37.977 39.000 0.030 0.000 1.112 431 F HN -0.223 nan 8.300 nan 0.000 0.703 432 A N 0.020 122.968 122.820 0.213 0.000 2.263 432 A HA 0.394 4.714 4.320 0.001 0.000 0.318 432 A C 0.705 178.339 177.584 0.083 0.000 1.111 432 A CA -0.279 51.843 52.037 0.142 0.000 0.901 432 A CB 0.056 19.151 19.000 0.158 0.000 1.280 432 A HN 0.141 nan 8.150 nan 0.000 0.503 433 D N -0.322 120.115 120.400 0.061 0.000 2.178 433 D HA -0.014 4.627 4.640 0.001 0.000 0.201 433 D C 0.714 177.029 176.300 0.025 0.000 0.980 433 D CA 2.051 56.061 54.000 0.018 0.000 0.842 433 D CB -0.139 40.650 40.800 -0.018 0.000 0.948 433 D HN 0.621 nan 8.370 nan 0.000 0.472 434 M N -2.493 117.155 119.600 0.079 0.000 2.682 434 M HA 0.572 5.053 4.480 0.001 0.000 0.272 434 M C -0.512 175.905 176.300 0.195 0.000 1.232 434 M CA -0.976 54.396 55.300 0.119 0.000 0.849 434 M CB 2.010 34.677 32.600 0.112 0.000 1.695 434 M HN -0.180 nan 8.290 nan 0.000 0.481 435 G N 0.626 109.548 108.800 0.203 0.000 2.488 435 G HA2 0.420 4.381 3.960 0.001 0.000 0.318 435 G HA3 0.420 4.381 3.960 0.001 0.000 0.318 435 G C 0.114 175.179 174.900 0.275 0.000 1.188 435 G CA -0.431 44.792 45.100 0.205 0.000 0.944 435 G HN 0.943 nan 8.290 nan 0.000 0.495 436 N N -0.905 117.868 118.700 0.123 0.000 2.280 436 N HA 0.033 4.774 4.740 0.001 0.000 0.192 436 N C 0.445 175.848 175.510 -0.180 0.000 1.109 436 N CA -0.018 52.940 53.050 -0.153 0.000 0.855 436 N CB -0.018 38.283 38.487 -0.309 0.000 0.974 436 N HN 0.625 nan 8.380 nan 0.000 0.482 437 I N -5.521 115.036 120.570 -0.022 0.000 2.828 437 I HA 0.723 4.894 4.170 0.001 0.000 0.302 437 I C 0.386 176.531 176.117 0.046 0.000 1.101 437 I CA -1.365 59.928 61.300 -0.013 0.000 1.031 437 I CB 2.255 40.246 38.000 -0.014 0.000 1.231 437 I HN -0.208 nan 8.210 nan 0.000 0.427 438 G N 2.092 110.921 108.800 0.047 0.000 3.324 438 G HA2 0.589 4.550 3.960 0.001 0.000 0.251 438 G HA3 0.589 4.550 3.960 0.001 0.000 0.251 438 G C 0.542 175.479 174.900 0.062 0.000 1.072 438 G CA -0.072 45.072 45.100 0.074 0.000 0.787 438 G HN 1.472 nan 8.290 nan 0.000 0.537 439 G N 0.784 109.609 108.800 0.043 0.000 2.698 439 G HA2 -0.106 3.855 3.960 0.001 0.000 0.225 439 G HA3 -0.106 3.855 3.960 0.001 0.000 0.225 439 G C -1.152 173.769 174.900 0.035 0.000 1.345 439 G CA -0.120 45.003 45.100 0.038 0.000 0.871 439 G HN 0.134 nan 8.290 nan 0.000 0.540 440 P HA 0.147 nan 4.420 nan 0.000 0.241 440 P C 0.368 177.688 177.300 0.033 0.000 1.191 440 P CA 0.818 63.934 63.100 0.026 0.000 0.771 440 P CB 0.190 31.903 31.700 0.022 0.000 0.929 441 K N 0.632 121.063 120.400 0.051 0.000 2.183 441 K HA 0.520 4.841 4.320 0.001 0.000 0.274 441 K C 0.274 176.920 176.600 0.076 0.000 1.009 441 K CA -0.294 56.035 56.287 0.069 0.000 0.888 441 K CB 1.008 33.564 32.500 0.095 0.000 1.078 441 K HN -0.073 nan 8.250 nan 0.000 0.459 442 A N 2.458 125.307 122.820 0.049 0.000 2.739 442 A HA -0.182 4.139 4.320 0.001 0.000 0.296 442 A C 1.293 178.855 177.584 -0.038 0.000 1.488 442 A CA 0.826 52.852 52.037 -0.018 0.000 0.746 442 A CB -2.215 16.763 19.000 -0.037 0.000 1.047 442 A HN 1.101 nan 8.150 nan 0.000 0.477 443 G N -0.871 107.921 108.800 -0.014 0.000 2.442 443 G HA2 -0.108 3.853 3.960 0.001 0.000 0.219 443 G HA3 -0.108 3.853 3.960 0.001 0.000 0.219 443 G C 1.388 176.280 174.900 -0.012 0.000 1.141 443 G CA 1.999 47.094 45.100 -0.008 0.000 0.763 443 G HN 0.828 nan 8.290 nan 0.000 0.554 444 T N 1.138 115.676 114.554 -0.026 0.000 2.777 444 T HA -0.001 4.350 4.350 0.001 0.000 0.266 444 T C 2.389 177.089 174.700 -0.000 0.000 1.040 444 T CA 0.855 62.954 62.100 -0.003 0.000 1.141 444 T CB -0.109 68.744 68.868 -0.026 0.000 0.868 444 T HN 0.247 nan 8.240 nan 0.000 0.444 445 I N 1.810 122.323 120.570 -0.096 0.000 2.252 445 I HA -0.175 3.995 4.170 0.001 0.000 0.245 445 I C 2.948 179.025 176.117 -0.066 0.000 1.102 445 I CA 1.539 62.736 61.300 -0.171 0.000 1.385 445 I CB -0.634 37.055 38.000 -0.517 0.000 1.064 445 I HN 0.402 nan 8.210 nan 0.000 0.414 446 T N -0.893 113.643 114.554 -0.030 0.000 2.867 446 T HA -0.046 4.305 4.350 0.001 0.000 0.268 446 T C 1.977 176.747 174.700 0.118 0.000 1.057 446 T CA 0.883 63.026 62.100 0.072 0.000 1.136 446 T CB -0.409 68.514 68.868 0.092 0.000 0.874 446 T HN 0.322 nan 8.240 nan 0.000 0.466 447 A N 1.920 124.787 122.820 0.078 0.000 1.902 447 A HA 0.252 4.573 4.320 0.001 0.000 0.217 447 A C 2.739 180.393 177.584 0.116 0.000 1.181 447 A CA 1.627 53.711 52.037 0.078 0.000 0.623 447 A CB -1.620 17.403 19.000 0.038 0.000 0.818 447 A HN 0.603 nan 8.150 nan 0.000 0.443 448 G N -0.960 107.918 108.800 0.130 0.000 2.418 448 G HA2 -0.265 3.696 3.960 0.001 0.000 0.217 448 G HA3 -0.265 3.696 3.960 0.001 0.000 0.217 448 G C 1.585 176.651 174.900 0.277 0.000 1.158 448 G CA 1.284 46.505 45.100 0.202 0.000 0.771 448 G HN 0.515 nan 8.290 nan 0.000 0.545 449 C N -0.262 119.165 119.300 0.212 0.000 2.413 449 C HA -0.017 4.443 4.460 0.001 0.000 0.276 449 C C 2.414 177.513 174.990 0.182 0.000 1.248 449 C CA 0.740 59.874 59.018 0.194 0.000 1.742 449 C CB -1.190 26.659 27.740 0.182 0.000 2.017 449 C HN 0.484 nan 8.230 nan 0.000 0.481 450 F N 1.396 121.398 119.950 0.086 0.000 2.069 450 F HA -0.165 4.363 4.527 0.001 0.000 0.298 450 F C 2.121 178.023 175.800 0.171 0.000 1.113 450 F CA 1.724 59.796 58.000 0.119 0.000 1.214 450 F CB -0.452 38.600 39.000 0.087 0.000 0.978 450 F HN 0.113 nan 8.300 nan 0.000 0.474 451 L N 0.064 121.461 121.223 0.289 0.000 2.083 451 L HA -0.227 4.114 4.340 0.001 0.000 0.209 451 L C 2.721 179.441 176.870 -0.251 0.000 1.083 451 L CA 1.430 56.330 54.840 0.100 0.000 0.752 451 L CB -1.061 41.074 42.059 0.127 0.000 0.899 451 L HN 0.353 nan 8.230 nan 0.000 0.433 452 S N -0.041 115.482 115.700 -0.296 0.000 2.419 452 S HA -0.186 4.285 4.470 0.001 0.000 0.233 452 S C 1.952 176.301 174.600 -0.418 0.000 1.016 452 S CA 0.706 58.564 58.200 -0.570 0.000 0.974 452 S CB -0.417 62.754 63.200 -0.048 0.000 0.786 452 S HN 0.418 nan 8.310 nan 0.000 0.492 453 R N -0.359 119.938 120.500 -0.337 0.000 2.285 453 R HA 0.107 4.447 4.340 0.001 0.000 0.213 453 R C 0.540 176.368 176.300 -0.788 0.000 1.068 453 R CA 1.024 56.800 56.100 -0.540 0.000 1.004 453 R CB -0.315 29.581 30.300 -0.672 0.000 0.873 453 R HN 0.545 nan 8.270 nan 0.000 0.467 454 F N -1.417 118.276 119.950 -0.428 0.000 2.682 454 F HA 0.315 4.843 4.527 0.001 0.000 0.308 454 F C 1.456 176.992 175.800 -0.440 0.000 1.093 454 F CA -0.250 57.536 58.000 -0.356 0.000 1.244 454 F CB 0.732 39.568 39.000 -0.273 0.000 1.052 454 F HN -0.111 nan 8.300 nan 0.000 0.573 455 A N -0.498 122.026 122.820 -0.493 0.000 2.503 455 A HA 0.214 4.535 4.320 0.001 0.000 0.263 455 A C 1.676 178.885 177.584 -0.625 0.000 1.258 455 A CA -0.181 51.443 52.037 -0.689 0.000 0.936 455 A CB -0.308 18.020 19.000 -1.119 0.000 1.070 455 A HN 0.172 nan 8.150 nan 0.000 0.522 456 K N 0.051 120.168 120.400 -0.471 0.000 2.362 456 K HA 0.020 4.341 4.320 0.001 0.000 0.200 456 K C 1.715 178.132 176.600 -0.305 0.000 1.046 456 K CA 0.910 57.013 56.287 -0.306 0.000 0.952 456 K CB -0.045 32.313 32.500 -0.236 0.000 0.753 456 K HN 0.435 nan 8.250 nan 0.000 0.466 457 A N 0.829 123.349 122.820 -0.499 0.000 2.206 457 A HA -0.006 4.315 4.320 0.001 0.000 0.211 457 A C 0.095 177.577 177.584 -0.170 0.000 1.158 457 A CA 0.564 52.401 52.037 -0.333 0.000 0.761 457 A CB -0.351 18.470 19.000 -0.299 0.000 0.801 457 A HN 0.357 nan 8.150 nan 0.000 0.473 458 Y N -4.081 116.251 120.300 0.054 0.000 2.689 458 Y HA 0.521 5.072 4.550 0.001 0.000 0.333 458 Y C -1.155 174.832 175.900 0.145 0.000 1.208 458 Y CA -3.029 55.124 58.100 0.089 0.000 1.055 458 Y CB -0.147 38.373 38.460 0.100 0.000 1.304 458 Y HN -0.094 nan 8.280 nan 0.000 0.455 459 N N 1.123 120.073 118.700 0.415 0.000 2.452 459 N HA 0.192 4.933 4.740 0.001 0.000 0.266 459 N C -1.477 174.305 175.510 0.453 0.000 1.175 459 N CA 0.249 53.505 53.050 0.343 0.000 0.945 459 N CB 0.685 39.300 38.487 0.213 0.000 1.063 459 N HN 0.864 nan 8.380 nan 0.000 0.472 460 W N 2.237 123.669 121.300 0.219 0.000 3.032 460 W HA 0.674 5.335 4.660 0.001 0.000 0.335 460 W C -1.619 174.976 176.519 0.127 0.000 1.154 460 W CA -0.690 56.783 57.345 0.213 0.000 1.204 460 W CB 1.134 30.806 29.460 0.353 0.000 1.416 460 W HN 0.525 nan 8.180 nan 0.000 0.521 461 A N 4.154 126.520 122.820 -0.757 0.000 2.515 461 A HA 0.626 4.947 4.320 0.001 0.000 0.296 461 A C -2.082 174.876 177.584 -1.043 0.000 1.094 461 A CA -0.668 50.789 52.037 -0.967 0.000 0.718 461 A CB 1.735 20.450 19.000 -0.474 0.000 1.307 461 A HN 0.871 nan 8.150 nan 0.000 0.408 462 H N 1.869 120.404 119.070 -0.891 0.000 2.689 462 H HA 0.647 5.204 4.556 0.001 0.000 0.346 462 H C -1.675 173.503 175.328 -0.249 0.000 1.037 462 H CA -0.756 55.036 56.048 -0.426 0.000 1.234 462 H CB 1.146 30.754 29.762 -0.257 0.000 1.572 462 H HN 0.633 nan 8.280 nan 0.000 0.524 463 M N 4.419 123.703 119.600 -0.527 0.000 2.114 463 M HA 0.113 4.594 4.480 0.001 0.000 0.332 463 M C -0.854 175.148 176.300 -0.497 0.000 1.014 463 M CA -0.711 54.316 55.300 -0.455 0.000 0.956 463 M CB 1.636 34.089 32.600 -0.244 0.000 1.551 463 M HN 0.474 nan 8.290 nan 0.000 0.427 464 D N 4.786 124.901 120.400 -0.476 0.000 2.412 464 D HA 0.296 4.937 4.640 0.001 0.000 0.224 464 D C 0.227 176.432 176.300 -0.158 0.000 1.093 464 D CA -0.316 53.527 54.000 -0.261 0.000 0.850 464 D CB 0.745 41.432 40.800 -0.190 0.000 1.046 464 D HN 0.703 nan 8.370 nan 0.000 0.507 465 I N 0.783 121.291 120.570 -0.104 0.000 3.884 465 I HA 0.355 4.525 4.170 0.001 0.000 0.330 465 I C 1.521 177.572 176.117 -0.110 0.000 1.451 465 I CA -0.572 60.670 61.300 -0.096 0.000 1.165 465 I CB 0.549 38.514 38.000 -0.057 0.000 1.097 465 I HN 0.180 nan 8.210 nan 0.000 0.404 466 A N 1.789 124.542 122.820 -0.111 0.000 1.978 466 A HA -0.054 4.266 4.320 0.001 0.000 0.220 466 A C 2.236 179.564 177.584 -0.427 0.000 1.170 466 A CA 1.991 53.924 52.037 -0.174 0.000 0.636 466 A CB -1.004 17.933 19.000 -0.106 0.000 0.810 466 A HN 0.596 nan 8.150 nan 0.000 0.448 467 G N -1.787 106.805 108.800 -0.346 0.000 2.719 467 G HA2 0.120 4.080 3.960 0.001 0.000 0.211 467 G HA3 0.120 4.080 3.960 0.001 0.000 0.211 467 G C 1.394 176.044 174.900 -0.416 0.000 1.140 467 G CA 1.408 46.261 45.100 -0.411 0.000 0.790 467 G HN 0.674 nan 8.290 nan 0.000 0.529 468 T N -2.789 111.579 114.554 -0.310 0.000 3.001 468 T HA 0.481 4.832 4.350 0.001 0.000 0.251 468 T C 2.202 176.787 174.700 -0.192 0.000 1.040 468 T CA 0.993 62.954 62.100 -0.232 0.000 0.985 468 T CB 0.644 69.424 68.868 -0.148 0.000 1.011 468 T HN 0.154 nan 8.240 nan 0.000 0.509 469 A N 0.876 123.588 122.820 -0.180 0.000 2.072 469 A HA 0.514 4.835 4.320 0.001 0.000 0.216 469 A C 0.556 178.172 177.584 0.054 0.000 1.156 469 A CA 0.002 52.039 52.037 -0.001 0.000 0.701 469 A CB -0.510 18.600 19.000 0.183 0.000 0.816 469 A HN 0.877 nan 8.150 nan 0.000 0.458 470 W N -2.614 118.507 121.300 -0.299 0.000 3.074 470 W HA 0.691 5.351 4.660 0.001 0.000 0.332 470 W C -1.639 174.687 176.519 -0.321 0.000 1.253 470 W CA -1.217 55.855 57.345 -0.455 0.000 1.180 470 W CB 0.329 29.231 29.460 -0.929 0.000 1.445 470 W HN -0.126 nan 8.180 nan 0.000 0.573 471 I N 2.858 123.377 120.570 -0.085 0.000 2.359 471 I HA 0.198 4.368 4.170 0.001 0.000 0.294 471 I C 0.821 176.989 176.117 0.085 0.000 0.987 471 I CA -0.476 60.772 61.300 -0.088 0.000 1.225 471 I CB 1.891 39.854 38.000 -0.061 0.000 1.366 471 I HN 0.694 nan 8.210 nan 0.000 0.466 472 S N 3.258 118.981 115.700 0.039 0.000 2.414 472 S HA 0.140 4.611 4.470 0.001 0.000 0.227 472 S C 0.661 175.345 174.600 0.141 0.000 1.022 472 S CA 0.810 59.117 58.200 0.179 0.000 0.958 472 S CB 0.191 63.444 63.200 0.089 0.000 0.797 472 S HN 0.903 nan 8.310 nan 0.000 0.493 473 G N -1.484 107.360 108.800 0.073 0.000 2.721 473 G HA2 0.559 4.520 3.960 0.001 0.000 0.296 473 G HA3 0.559 4.520 3.960 0.001 0.000 0.296 473 G C -0.234 174.691 174.900 0.042 0.000 1.383 473 G CA -0.071 45.066 45.100 0.061 0.000 0.788 473 G HN 0.716 nan 8.290 nan 0.000 0.500 474 G N -0.662 108.161 108.800 0.039 0.000 2.750 474 G HA2 -0.185 3.775 3.960 0.001 0.000 0.228 474 G HA3 -0.185 3.775 3.960 0.001 0.000 0.228 474 G C 0.848 175.772 174.900 0.041 0.000 1.367 474 G CA 0.481 45.600 45.100 0.032 0.000 0.871 474 G HN 0.907 nan 8.290 nan 0.000 0.560 475 K N 0.001 120.422 120.400 0.036 0.000 2.211 475 K HA -0.065 4.256 4.320 0.001 0.000 0.204 475 K C 1.186 177.818 176.600 0.054 0.000 1.047 475 K CA 1.759 58.072 56.287 0.043 0.000 0.935 475 K CB -0.052 32.468 32.500 0.035 0.000 0.728 475 K HN 0.485 nan 8.250 nan 0.000 0.452 476 D N 0.883 121.309 120.400 0.044 0.000 2.342 476 D HA -0.019 4.622 4.640 0.001 0.000 0.221 476 D C 0.007 176.333 176.300 0.044 0.000 1.101 476 D CA 0.034 54.059 54.000 0.043 0.000 0.837 476 D CB 0.074 40.886 40.800 0.021 0.000 0.938 476 D HN 0.091 nan 8.370 nan 0.000 0.508 477 K N 1.336 121.773 120.400 0.060 0.000 2.511 477 K HA 0.192 4.513 4.320 0.001 0.000 0.277 477 K C 0.434 177.083 176.600 0.081 0.000 1.025 477 K CA 0.632 56.968 56.287 0.081 0.000 1.112 477 K CB 0.102 32.667 32.500 0.108 0.000 0.859 477 K HN 0.218 nan 8.250 nan 0.000 0.485 478 G N 1.761 110.574 108.800 0.022 0.000 2.369 478 G HA2 0.288 4.248 3.960 0.001 0.000 0.307 478 G HA3 0.288 4.248 3.960 0.001 0.000 0.307 478 G C -1.273 173.466 174.900 -0.269 0.000 1.327 478 G CA -0.554 44.520 45.100 -0.045 0.000 0.963 478 G HN 0.780 nan 8.290 nan 0.000 0.590 479 A N -0.679 121.959 122.820 -0.304 0.000 2.483 479 A HA 0.588 4.909 4.320 0.001 0.000 0.238 479 A C 1.688 179.157 177.584 -0.191 0.000 1.070 479 A CA 1.466 53.340 52.037 -0.273 0.000 0.770 479 A CB 0.190 19.127 19.000 -0.106 0.000 1.008 479 A HN 2.210 nan 8.150 nan 0.000 0.497 480 T N -1.334 113.134 114.554 -0.144 0.000 3.037 480 T HA 0.402 4.753 4.350 0.001 0.000 0.252 480 T C 1.449 176.070 174.700 -0.131 0.000 1.073 480 T CA 1.096 63.117 62.100 -0.132 0.000 1.091 480 T CB 0.009 68.813 68.868 -0.106 0.000 0.935 480 T HN 2.414 nan 8.240 nan 0.000 0.488 481 G N 1.924 110.658 108.800 -0.110 0.000 2.179 481 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 481 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 481 G C 0.217 175.088 174.900 -0.048 0.000 0.977 481 G CA -0.028 45.023 45.100 -0.080 0.000 0.641 481 G HN 0.694 nan 8.290 nan 0.000 0.533 482 R N 0.904 121.374 120.500 -0.051 0.000 2.539 482 R HA 0.419 4.760 4.340 0.001 0.000 0.275 482 R C -1.944 174.337 176.300 -0.033 0.000 1.077 482 R CA -0.912 55.163 56.100 -0.042 0.000 1.097 482 R CB 0.981 31.249 30.300 -0.053 0.000 1.018 482 R HN 0.133 nan 8.270 nan 0.000 0.483 483 P HA 0.091 nan 4.420 nan 0.000 0.240 483 P C 0.512 177.799 177.300 -0.021 0.000 1.854 483 P CA -0.051 63.029 63.100 -0.034 0.000 1.081 483 P CB 0.425 32.096 31.700 -0.049 0.000 1.646 484 V N 1.327 121.233 119.914 -0.012 0.000 2.392 484 V HA -0.153 3.968 4.120 0.001 0.000 0.249 484 V C -0.360 175.736 176.094 0.003 0.000 1.059 484 V CA 2.317 64.617 62.300 0.001 0.000 1.051 484 V CB -2.067 29.764 31.823 0.013 0.000 0.658 484 V HN 0.268 nan 8.190 nan 0.000 0.455 485 P HA -0.154 nan 4.420 nan 0.000 0.215 485 P C 2.025 179.332 177.300 0.011 0.000 1.157 485 P CA 1.358 64.462 63.100 0.008 0.000 0.863 485 P CB -0.035 31.669 31.700 0.006 0.000 0.787 486 L N -1.109 120.116 121.223 0.004 0.000 2.017 486 L HA -0.168 4.173 4.340 0.001 0.000 0.208 486 L C 2.215 179.100 176.870 0.024 0.000 1.073 486 L CA 1.670 56.515 54.840 0.008 0.000 0.745 486 L CB -0.727 41.321 42.059 -0.017 0.000 0.894 486 L HN -0.110 nan 8.230 nan 0.000 0.432 487 L N -0.837 120.390 121.223 0.007 0.000 2.056 487 L HA -0.187 4.154 4.340 0.001 0.000 0.207 487 L C 2.490 179.394 176.870 0.057 0.000 1.078 487 L CA 1.692 56.548 54.840 0.027 0.000 0.749 487 L CB -0.909 41.147 42.059 -0.004 0.000 0.901 487 L HN 0.277 nan 8.230 nan 0.000 0.433 488 T N -1.339 113.224 114.554 0.015 0.000 2.777 488 T HA -0.250 4.101 4.350 0.001 0.000 0.266 488 T C 1.811 176.490 174.700 -0.036 0.000 1.040 488 T CA 1.382 63.471 62.100 -0.019 0.000 1.141 488 T CB -0.151 68.704 68.868 -0.021 0.000 0.868 488 T HN 0.195 nan 8.240 nan 0.000 0.444 489 Q N 0.399 120.199 119.800 -0.001 0.000 2.084 489 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 489 Q C 1.935 177.930 176.000 -0.008 0.000 0.978 489 Q CA 1.573 57.375 55.803 -0.002 0.000 0.844 489 Q CB -0.685 28.075 28.738 0.037 0.000 0.898 489 Q HN 0.706 nan 8.270 nan 0.000 0.426 490 Y N 0.057 120.300 120.300 -0.095 0.000 2.165 490 Y HA -0.206 4.345 4.550 0.002 0.000 0.286 490 Y C 1.569 177.347 175.900 -0.202 0.000 1.155 490 Y CA 1.907 59.933 58.100 -0.124 0.000 1.164 490 Y CB -0.200 38.193 38.460 -0.112 0.000 0.978 490 Y HN 0.173 nan 8.280 nan 0.000 0.513 491 L N -0.579 120.470 121.223 -0.289 0.000 2.093 491 L HA -0.201 4.140 4.340 0.001 0.000 0.208 491 L C 2.475 179.124 176.870 -0.367 0.000 1.085 491 L CA 0.950 55.512 54.840 -0.464 0.000 0.755 491 L CB -0.599 41.302 42.059 -0.263 0.000 0.904 491 L HN 0.289 nan 8.230 nan 0.000 0.435 492 L N -0.314 120.758 121.223 -0.252 0.000 2.042 492 L HA -0.264 4.077 4.340 0.001 0.000 0.210 492 L C 2.263 179.008 176.870 -0.208 0.000 1.076 492 L CA 1.226 55.930 54.840 -0.225 0.000 0.749 492 L CB -0.619 41.297 42.059 -0.238 0.000 0.893 492 L HN 0.292 nan 8.230 nan 0.000 0.432 493 D N -0.412 119.854 120.400 -0.223 0.000 2.117 493 D HA -0.142 4.499 4.640 0.001 0.000 0.197 493 D C 2.380 178.535 176.300 -0.241 0.000 0.987 493 D CA 0.948 54.831 54.000 -0.195 0.000 0.829 493 D CB -0.144 40.555 40.800 -0.168 0.000 0.961 493 D HN 0.161 nan 8.370 nan 0.000 0.460 494 R N 0.622 120.871 120.500 -0.419 0.000 2.115 494 R HA 0.089 4.430 4.340 0.001 0.000 0.226 494 R C 2.045 178.230 176.300 -0.192 0.000 1.100 494 R CA 0.821 56.702 56.100 -0.365 0.000 0.980 494 R CB -0.662 29.176 30.300 -0.770 0.000 0.875 494 R HN 0.125 nan 8.270 nan 0.000 0.445 495 A N 0.215 122.913 122.820 -0.204 0.000 2.119 495 A HA 0.155 4.476 4.320 0.001 0.000 0.217 495 A C 1.298 178.847 177.584 -0.058 0.000 1.153 495 A CA 1.057 53.038 52.037 -0.093 0.000 0.692 495 A CB -0.274 18.673 19.000 -0.089 0.000 0.799 495 A HN 0.419 nan 8.150 nan 0.000 0.458 496 G N -1.780 106.974 108.800 -0.076 0.000 2.248 496 G HA2 0.168 4.129 3.960 0.001 0.000 0.263 496 G HA3 0.168 4.129 3.960 0.001 0.000 0.263 496 G C 0.235 175.112 174.900 -0.038 0.000 1.082 496 G CA 0.509 45.579 45.100 -0.049 0.000 0.863 496 G HN 1.495 nan 8.290 nan 0.000 0.495 497 A N 0.000 122.789 122.820 -0.051 0.000 2.254 497 A HA 0.000 4.321 4.320 0.001 0.000 0.244 497 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 497 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486