REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3h8f_1_C DATA FIRST_RESID 1 DATA SEQUENCE MELVVKSVAA ASVKTATLVI PVGENRKLGA VAKAVDLASE GAISAVLKRG DATA SEQUENCE DLAGKPGQTL LLQNLQGLKA ERVLLVGSGK DEALGDRTWR KLVASVAGVL DATA SEQUENCE KGLNGADAVL ALDDVAVNNR DAHYGKYRLL AETLLDGEYV FDRFKSQKVE DATA SEQUENCE PRALKKVTLL ADKAGQAEVE RAVKHASAIA TGMAFTRDLG NLPPNLCHPS DATA SEQUENCE FLAEQAKELG KAHKALKVEV LDEKKIKDLG MGAFYAVGQG SDQPPRLIVL DATA SEQUENCE NYQGGKKADK PFVLVGKGIT FDTGGISLKP GAGMDEMKYD MCGAASVFGT DATA SEQUENCE LRAVLELQLP VNLVCLLACA ENMPSGGATR PGDIVTTMSG QTVEILNTDA DATA SEQUENCE EGRLVLCDTL TYAERFKPQA VIDIATLTGA CIVALGSHTT GLMGNNDDLV DATA SEQUENCE GQLLDAGKRA DDRAWQLPLF DEYQEQLDSP FADMGNIGGP KAGTITAGCF DATA SEQUENCE LSRFAKAYNW AHMDIAGTAW ISGGKDKGAT GRPVPLLTQY LLDRAGA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 E N 2.985 123.186 120.200 0.002 0.000 2.373 2 E HA 0.386 4.736 4.350 0.000 0.000 0.267 2 E C -1.762 174.838 176.600 -0.001 0.000 1.032 2 E CA -0.292 56.108 56.400 0.001 0.000 0.889 2 E CB 1.113 30.812 29.700 -0.002 0.000 0.984 2 E HN 0.537 nan 8.360 nan 0.000 0.425 3 L N 6.421 127.643 121.223 -0.002 0.000 2.406 3 L HA 0.321 4.661 4.340 0.000 0.000 0.270 3 L C -1.095 175.766 176.870 -0.015 0.000 0.982 3 L CA -0.691 54.145 54.840 -0.006 0.000 0.843 3 L CB 1.332 43.390 42.059 -0.001 0.000 1.225 3 L HN 0.334 nan 8.230 nan 0.000 0.412 4 V N 2.782 122.684 119.914 -0.021 0.000 3.046 4 V HA 0.857 4.978 4.120 0.000 0.000 0.316 4 V C -0.897 175.169 176.094 -0.046 0.000 1.104 4 V CA -0.782 61.500 62.300 -0.030 0.000 1.006 4 V CB 2.112 33.922 31.823 -0.023 0.000 1.058 4 V HN 0.344 nan 8.190 nan 0.000 0.440 5 V N 2.068 121.948 119.914 -0.057 0.000 2.495 5 V HA 0.643 4.763 4.120 0.000 0.000 0.298 5 V C -0.043 176.014 176.094 -0.061 0.000 1.031 5 V CA -0.534 61.717 62.300 -0.081 0.000 0.871 5 V CB 1.344 33.104 31.823 -0.106 0.000 0.988 5 V HN 1.029 nan 8.190 nan 0.000 0.432 6 K N 1.615 121.981 120.400 -0.057 0.000 2.444 6 K HA 0.597 4.918 4.320 0.000 0.000 0.252 6 K C 0.056 176.632 176.600 -0.039 0.000 0.993 6 K CA -0.508 55.755 56.287 -0.041 0.000 0.847 6 K CB 2.265 34.749 32.500 -0.026 0.000 1.340 6 K HN 0.699 nan 8.250 nan 0.000 0.446 7 S N -0.807 114.875 115.700 -0.029 0.000 2.651 7 S HA 0.137 4.607 4.470 0.000 0.000 0.246 7 S C 0.393 174.987 174.600 -0.010 0.000 1.039 7 S CA -0.715 57.472 58.200 -0.022 0.000 1.013 7 S CB -0.581 62.601 63.200 -0.029 0.000 0.861 7 S HN 0.343 nan 8.310 nan 0.000 0.485 8 V N -0.970 118.940 119.914 -0.007 0.000 3.214 8 V HA 0.879 4.999 4.120 0.000 0.000 0.306 8 V C 0.646 176.743 176.094 0.005 0.000 1.078 8 V CA -0.899 61.401 62.300 -0.001 0.000 1.077 8 V CB 0.177 31.999 31.823 -0.002 0.000 1.121 8 V HN 0.451 nan 8.190 nan 0.000 0.468 9 A N 1.310 124.134 122.820 0.007 0.000 2.450 9 A HA 0.630 4.950 4.320 0.000 0.000 0.255 9 A C 1.560 179.152 177.584 0.014 0.000 1.096 9 A CA 0.194 52.238 52.037 0.012 0.000 0.778 9 A CB 0.167 19.173 19.000 0.011 0.000 1.031 9 A HN 1.896 nan 8.150 nan 0.000 0.494 10 A N 3.044 125.876 122.820 0.019 0.000 1.927 10 A HA -0.015 4.305 4.320 0.000 0.000 0.220 10 A C 2.344 179.938 177.584 0.017 0.000 1.185 10 A CA 2.578 54.628 52.037 0.021 0.000 0.639 10 A CB -0.902 18.116 19.000 0.029 0.000 0.820 10 A HN 1.744 nan 8.150 nan 0.000 0.451 11 A N -0.221 122.609 122.820 0.015 0.000 2.015 11 A HA -0.017 4.303 4.320 0.000 0.000 0.219 11 A C 2.374 179.963 177.584 0.010 0.000 1.163 11 A CA 2.091 54.135 52.037 0.012 0.000 0.646 11 A CB -0.698 18.309 19.000 0.011 0.000 0.806 11 A HN 1.102 nan 8.150 nan 0.000 0.448 12 S N -0.874 114.831 115.700 0.009 0.000 2.558 12 S HA 0.193 4.663 4.470 0.000 0.000 0.217 12 S C 0.395 174.998 174.600 0.005 0.000 0.975 12 S CA 0.210 58.414 58.200 0.006 0.000 0.912 12 S CB -0.554 62.649 63.200 0.005 0.000 0.776 12 S HN 0.137 nan 8.310 nan 0.000 0.526 13 V N 2.441 122.359 119.914 0.007 0.000 2.583 13 V HA 0.326 4.447 4.120 0.000 0.000 0.287 13 V C 0.260 176.357 176.094 0.005 0.000 1.051 13 V CA -0.674 61.630 62.300 0.005 0.000 1.010 13 V CB 0.979 32.806 31.823 0.006 0.000 0.988 13 V HN 0.364 nan 8.190 nan 0.000 0.478 14 K N 3.066 123.467 120.400 0.003 0.000 2.267 14 K HA 0.532 4.852 4.320 0.000 0.000 0.282 14 K C -0.397 176.204 176.600 0.002 0.000 1.078 14 K CA -0.007 56.281 56.287 0.002 0.000 0.903 14 K CB 0.806 33.306 32.500 0.001 0.000 1.111 14 K HN 0.919 nan 8.250 nan 0.000 0.475 15 T N 1.595 116.151 114.554 0.003 0.000 2.840 15 T HA 0.398 4.748 4.350 0.000 0.000 0.317 15 T C 0.453 175.155 174.700 0.003 0.000 1.401 15 T CA 0.004 62.106 62.100 0.003 0.000 1.028 15 T CB 1.358 70.229 68.868 0.005 0.000 1.317 15 T HN 0.493 nan 8.240 nan 0.000 0.495 16 A N 1.708 124.529 122.820 0.003 0.000 1.930 16 A HA 0.302 4.622 4.320 0.000 0.000 0.217 16 A C 0.914 178.501 177.584 0.004 0.000 1.175 16 A CA 1.405 53.443 52.037 0.003 0.000 0.627 16 A CB -0.364 18.637 19.000 0.001 0.000 0.815 16 A HN 0.829 nan 8.150 nan 0.000 0.443 17 T N -0.460 114.097 114.554 0.006 0.000 3.109 17 T HA 0.479 4.830 4.350 0.000 0.000 0.311 17 T C -1.260 173.446 174.700 0.011 0.000 1.011 17 T CA -0.407 61.697 62.100 0.008 0.000 1.026 17 T CB 1.564 70.436 68.868 0.007 0.000 1.047 17 T HN 0.231 nan 8.240 nan 0.000 0.448 18 L N 4.526 125.757 121.223 0.014 0.000 2.282 18 L HA 0.764 5.104 4.340 0.000 0.000 0.288 18 L C -0.956 175.928 176.870 0.023 0.000 1.033 18 L CA -0.405 54.446 54.840 0.019 0.000 0.807 18 L CB 1.085 43.155 42.059 0.019 0.000 1.209 18 L HN 0.485 nan 8.230 nan 0.000 0.423 19 V N 6.843 126.776 119.914 0.031 0.000 2.384 19 V HA 0.531 4.651 4.120 0.000 0.000 0.287 19 V C 0.078 176.203 176.094 0.051 0.000 1.020 19 V CA -0.443 61.879 62.300 0.036 0.000 0.850 19 V CB 1.191 33.035 31.823 0.035 0.000 0.987 19 V HN 0.748 nan 8.190 nan 0.000 0.436 20 I N 3.423 124.022 120.570 0.048 0.000 2.828 20 I HA 0.792 4.962 4.170 0.000 0.000 0.302 20 I C -2.853 173.299 176.117 0.058 0.000 1.101 20 I CA -2.603 58.731 61.300 0.056 0.000 1.031 20 I CB 2.888 40.915 38.000 0.045 0.000 1.231 20 I HN 0.348 nan 8.210 nan 0.000 0.427 21 P HA 0.416 nan 4.420 nan 0.000 0.284 21 P C -1.029 176.298 177.300 0.045 0.000 1.258 21 P CA -0.513 62.626 63.100 0.066 0.000 0.824 21 P CB 2.265 34.017 31.700 0.086 0.000 1.038 22 V N 1.246 121.183 119.914 0.039 0.000 2.686 22 V HA 0.542 4.662 4.120 0.000 0.000 0.306 22 V C 0.833 176.941 176.094 0.024 0.000 1.065 22 V CA -0.627 61.689 62.300 0.027 0.000 0.894 22 V CB 1.750 33.587 31.823 0.022 0.000 1.004 22 V HN 0.812 nan 8.190 nan 0.000 0.424 23 G N 2.001 110.811 108.800 0.017 0.000 2.634 23 G HA2 0.329 4.289 3.960 0.000 0.000 0.255 23 G HA3 0.329 4.289 3.960 0.000 0.000 0.255 23 G C 0.565 175.472 174.900 0.010 0.000 1.205 23 G CA -0.151 44.957 45.100 0.012 0.000 0.884 23 G HN 0.832 nan 8.290 nan 0.000 0.549 24 E N 0.259 120.464 120.200 0.008 0.000 2.070 24 E HA -0.241 4.110 4.350 0.000 0.000 0.197 24 E C 2.247 178.849 176.600 0.004 0.000 1.004 24 E CA 1.704 58.108 56.400 0.006 0.000 0.805 24 E CB -0.172 29.530 29.700 0.004 0.000 0.744 24 E HN 0.694 nan 8.360 nan 0.000 0.451 25 N N 0.486 119.187 118.700 0.003 0.000 2.314 25 N HA -0.208 4.532 4.740 0.000 0.000 0.191 25 N C 0.338 175.850 175.510 0.003 0.000 1.007 25 N CA 0.993 54.044 53.050 0.002 0.000 0.883 25 N CB -0.117 38.370 38.487 0.001 0.000 0.969 25 N HN 0.108 nan 8.380 nan 0.000 0.441 26 R N -1.137 119.366 120.500 0.005 0.000 3.854 26 R HA -0.136 4.204 4.340 0.000 0.000 0.430 26 R C -0.661 175.643 176.300 0.007 0.000 1.068 26 R CA 0.369 56.473 56.100 0.006 0.000 1.104 26 R CB -1.487 28.816 30.300 0.005 0.000 1.729 26 R HN 0.330 nan 8.270 nan 0.000 0.533 27 K N 1.699 122.103 120.400 0.006 0.000 2.368 27 K HA 0.197 4.518 4.320 0.000 0.000 0.282 27 K C -0.221 176.384 176.600 0.008 0.000 1.035 27 K CA 0.146 56.436 56.287 0.005 0.000 0.973 27 K CB 0.431 32.932 32.500 0.002 0.000 0.957 27 K HN 0.093 nan 8.250 nan 0.000 0.474 28 L N 4.315 125.542 121.223 0.008 0.000 2.287 28 L HA 0.335 4.676 4.340 0.000 0.000 0.287 28 L C 0.897 177.773 176.870 0.009 0.000 1.022 28 L CA -0.863 53.984 54.840 0.011 0.000 0.814 28 L CB 1.614 43.680 42.059 0.011 0.000 1.217 28 L HN 0.857 nan 8.230 nan 0.000 0.420 29 G N 1.381 110.188 108.800 0.011 0.000 2.683 29 G HA2 0.302 4.262 3.960 0.000 0.000 0.260 29 G HA3 0.302 4.262 3.960 0.000 0.000 0.260 29 G C 1.029 175.937 174.900 0.013 0.000 1.238 29 G CA 0.276 45.382 45.100 0.009 0.000 0.934 29 G HN 0.804 nan 8.290 nan 0.000 0.534 30 A N -0.878 121.949 122.820 0.013 0.000 1.873 30 A HA -0.090 4.231 4.320 0.000 0.000 0.218 30 A C 2.590 180.186 177.584 0.021 0.000 1.193 30 A CA 2.363 54.409 52.037 0.016 0.000 0.629 30 A CB -0.853 18.157 19.000 0.016 0.000 0.826 30 A HN 0.573 nan 8.150 nan 0.000 0.447 31 V N -0.278 119.652 119.914 0.028 0.000 2.261 31 V HA -0.237 3.883 4.120 0.000 0.000 0.246 31 V C 3.089 179.201 176.094 0.029 0.000 1.047 31 V CA 2.036 64.355 62.300 0.033 0.000 1.015 31 V CB -1.399 30.452 31.823 0.046 0.000 0.642 31 V HN 0.653 nan 8.190 nan 0.000 0.446 32 A N -0.157 122.681 122.820 0.030 0.000 1.892 32 A HA -0.301 4.019 4.320 0.000 0.000 0.218 32 A C 2.272 179.868 177.584 0.020 0.000 1.188 32 A CA 2.355 54.408 52.037 0.026 0.000 0.631 32 A CB -0.527 18.489 19.000 0.026 0.000 0.822 32 A HN 0.576 nan 8.150 nan 0.000 0.447 33 K N -0.466 119.944 120.400 0.017 0.000 2.009 33 K HA -0.116 4.204 4.320 0.000 0.000 0.210 33 K C 2.351 178.959 176.600 0.014 0.000 1.049 33 K CA 1.311 57.606 56.287 0.014 0.000 0.929 33 K CB -0.420 32.087 32.500 0.012 0.000 0.714 33 K HN 0.446 nan 8.250 nan 0.000 0.440 34 A N 1.092 123.922 122.820 0.015 0.000 1.940 34 A HA -0.151 4.169 4.320 0.000 0.000 0.219 34 A C 2.397 179.990 177.584 0.015 0.000 1.176 34 A CA 1.632 53.678 52.037 0.015 0.000 0.631 34 A CB -0.745 18.265 19.000 0.016 0.000 0.814 34 A HN 0.097 nan 8.150 nan 0.000 0.446 35 V N 0.402 120.326 119.914 0.017 0.000 2.295 35 V HA -0.267 3.853 4.120 0.000 0.000 0.246 35 V C 2.375 178.477 176.094 0.014 0.000 1.049 35 V CA 2.496 64.806 62.300 0.016 0.000 1.024 35 V CB -0.839 30.996 31.823 0.020 0.000 0.648 35 V HN 0.733 nan 8.190 nan 0.000 0.447 36 D N -0.100 120.308 120.400 0.013 0.000 2.104 36 D HA -0.205 4.435 4.640 0.000 0.000 0.194 36 D C 2.027 178.333 176.300 0.010 0.000 0.994 36 D CA 1.556 55.563 54.000 0.011 0.000 0.830 36 D CB -0.179 40.627 40.800 0.011 0.000 0.959 36 D HN 0.310 nan 8.370 nan 0.000 0.452 37 L N 0.160 121.389 121.223 0.010 0.000 2.042 37 L HA -0.068 4.272 4.340 0.000 0.000 0.210 37 L C 2.223 179.098 176.870 0.008 0.000 1.076 37 L CA 2.126 56.971 54.840 0.008 0.000 0.749 37 L CB -0.662 41.402 42.059 0.008 0.000 0.893 37 L HN 0.098 nan 8.230 nan 0.000 0.432 38 A N -1.029 121.796 122.820 0.009 0.000 1.972 38 A HA -0.202 4.118 4.320 0.000 0.000 0.219 38 A C 2.410 179.999 177.584 0.007 0.000 1.169 38 A CA 1.657 53.699 52.037 0.008 0.000 0.635 38 A CB -1.003 18.002 19.000 0.009 0.000 0.810 38 A HN 0.637 nan 8.150 nan 0.000 0.446 39 S N -0.755 114.950 115.700 0.008 0.000 2.607 39 S HA 0.035 4.506 4.470 0.000 0.000 0.224 39 S C 0.367 174.971 174.600 0.006 0.000 0.969 39 S CA 0.847 59.052 58.200 0.007 0.000 0.927 39 S CB -0.593 62.612 63.200 0.008 0.000 0.772 39 S HN 0.582 nan 8.310 nan 0.000 0.533 40 E N -0.338 119.866 120.200 0.006 0.000 2.513 40 E HA -0.185 4.165 4.350 0.000 0.000 0.257 40 E C 0.743 177.346 176.600 0.006 0.000 1.098 40 E CA 0.263 56.666 56.400 0.006 0.000 0.752 40 E CB -2.004 27.699 29.700 0.005 0.000 1.324 40 E HN 0.993 nan 8.360 nan 0.000 0.403 41 G N -1.394 107.409 108.800 0.006 0.000 2.179 41 G HA2 -0.384 3.576 3.960 0.000 0.000 0.260 41 G HA3 -0.384 3.576 3.960 0.000 0.000 0.260 41 G C 1.022 175.925 174.900 0.006 0.000 0.977 41 G CA 0.773 45.877 45.100 0.006 0.000 0.641 41 G HN 0.869 nan 8.290 nan 0.000 0.533 42 A N -0.040 122.783 122.820 0.006 0.000 1.933 42 A HA 0.223 4.543 4.320 0.000 0.000 0.218 42 A C 2.328 179.916 177.584 0.007 0.000 1.175 42 A CA 1.901 53.941 52.037 0.006 0.000 0.628 42 A CB -0.302 18.702 19.000 0.006 0.000 0.814 42 A HN 0.801 nan 8.150 nan 0.000 0.444 43 I N 0.604 121.179 120.570 0.008 0.000 2.179 43 I HA -0.265 3.905 4.170 0.000 0.000 0.242 43 I C 2.794 178.916 176.117 0.009 0.000 1.088 43 I CA 1.793 63.099 61.300 0.009 0.000 1.357 43 I CB -0.087 37.920 38.000 0.011 0.000 1.051 43 I HN 0.474 nan 8.210 nan 0.000 0.409 44 S N 0.693 116.398 115.700 0.008 0.000 2.461 44 S HA 0.041 4.511 4.470 0.000 0.000 0.228 44 S C 2.166 176.770 174.600 0.006 0.000 1.005 44 S CA 0.494 58.699 58.200 0.007 0.000 0.942 44 S CB -0.438 62.766 63.200 0.007 0.000 0.776 44 S HN 0.393 nan 8.310 nan 0.000 0.514 45 A N 2.698 125.522 122.820 0.006 0.000 1.892 45 A HA -0.066 4.255 4.320 0.000 0.000 0.218 45 A C 2.553 180.140 177.584 0.005 0.000 1.188 45 A CA 2.168 54.208 52.037 0.005 0.000 0.631 45 A CB -1.426 17.577 19.000 0.005 0.000 0.822 45 A HN 0.993 nan 8.150 nan 0.000 0.447 46 V N -1.926 117.992 119.914 0.006 0.000 2.358 46 V HA -0.185 3.935 4.120 0.000 0.000 0.246 46 V C 2.285 178.383 176.094 0.006 0.000 1.047 46 V CA 1.956 64.259 62.300 0.006 0.000 1.035 46 V CB -1.040 30.786 31.823 0.006 0.000 0.658 46 V HN 0.449 nan 8.190 nan 0.000 0.452 47 L N -0.295 120.932 121.223 0.007 0.000 2.131 47 L HA -0.152 4.188 4.340 0.000 0.000 0.210 47 L C 2.845 179.718 176.870 0.006 0.000 1.092 47 L CA 1.974 56.819 54.840 0.007 0.000 0.759 47 L CB -0.594 41.470 42.059 0.008 0.000 0.903 47 L HN 0.334 nan 8.230 nan 0.000 0.435 48 K N -0.247 120.156 120.400 0.005 0.000 2.209 48 K HA -0.138 4.183 4.320 0.000 0.000 0.204 48 K C 2.110 178.712 176.600 0.004 0.000 1.048 48 K CA 0.979 57.269 56.287 0.004 0.000 0.940 48 K CB -0.064 32.439 32.500 0.004 0.000 0.729 48 K HN 0.264 nan 8.250 nan 0.000 0.451 49 R N -0.603 119.900 120.500 0.004 0.000 2.235 49 R HA -0.037 4.304 4.340 0.000 0.000 0.213 49 R C 1.170 177.472 176.300 0.003 0.000 1.059 49 R CA 0.957 57.059 56.100 0.004 0.000 0.997 49 R CB 0.053 30.355 30.300 0.004 0.000 0.884 49 R HN 0.446 nan 8.270 nan 0.000 0.462 50 G N 1.138 109.940 108.800 0.004 0.000 2.157 50 G HA2 -0.225 3.735 3.960 0.000 0.000 0.239 50 G HA3 -0.225 3.735 3.960 0.000 0.000 0.239 50 G C 0.253 175.155 174.900 0.004 0.000 0.982 50 G CA 0.365 45.468 45.100 0.004 0.000 0.650 50 G HN 0.265 nan 8.290 nan 0.000 0.527 51 D N -0.594 119.809 120.400 0.004 0.000 2.178 51 D HA 0.034 4.674 4.640 0.000 0.000 0.202 51 D C 1.354 177.658 176.300 0.005 0.000 0.974 51 D CA 0.914 54.917 54.000 0.004 0.000 0.841 51 D CB 0.134 40.936 40.800 0.004 0.000 0.953 51 D HN 0.524 nan 8.370 nan 0.000 0.478 52 L N 0.331 121.557 121.223 0.006 0.000 2.272 52 L HA 0.494 4.834 4.340 0.000 0.000 0.284 52 L C 0.863 177.737 176.870 0.007 0.000 1.045 52 L CA -0.521 54.324 54.840 0.007 0.000 0.842 52 L CB 1.007 43.072 42.059 0.009 0.000 1.224 52 L HN -0.135 nan 8.230 nan 0.000 0.430 53 A N 3.758 126.582 122.820 0.007 0.000 2.066 53 A HA 0.351 4.672 4.320 0.000 0.000 0.218 53 A C 1.592 179.181 177.584 0.008 0.000 1.157 53 A CA 0.792 52.833 52.037 0.006 0.000 0.670 53 A CB -0.726 18.276 19.000 0.005 0.000 0.804 53 A HN 1.691 nan 8.150 nan 0.000 0.453 54 G N -0.856 107.950 108.800 0.010 0.000 2.132 54 G HA2 -0.229 3.731 3.960 0.000 0.000 0.234 54 G HA3 -0.229 3.731 3.960 0.000 0.000 0.234 54 G C 0.091 175.000 174.900 0.015 0.000 0.989 54 G CA 0.317 45.425 45.100 0.014 0.000 0.676 54 G HN 0.585 nan 8.290 nan 0.000 0.522 55 K N 0.747 121.154 120.400 0.012 0.000 2.258 55 K HA 0.353 4.673 4.320 0.000 0.000 0.264 55 K C -2.241 174.369 176.600 0.018 0.000 1.007 55 K CA -1.569 54.726 56.287 0.012 0.000 0.941 55 K CB 0.486 32.991 32.500 0.008 0.000 0.966 55 K HN 0.007 nan 8.250 nan 0.000 0.480 56 P HA -0.123 nan 4.420 nan 0.000 0.260 56 P C 0.584 177.896 177.300 0.020 0.000 1.172 56 P CA 1.079 64.198 63.100 0.031 0.000 0.760 56 P CB 0.277 31.996 31.700 0.033 0.000 0.773 57 G N 1.947 110.760 108.800 0.021 0.000 2.212 57 G HA2 -0.295 3.665 3.960 0.000 0.000 0.266 57 G HA3 -0.295 3.665 3.960 0.000 0.000 0.266 57 G C 0.254 175.158 174.900 0.006 0.000 0.978 57 G CA -0.172 44.932 45.100 0.007 0.000 0.632 57 G HN 0.574 nan 8.290 nan 0.000 0.537 58 Q N 0.977 120.783 119.800 0.010 0.000 2.421 58 Q HA 0.489 4.830 4.340 0.000 0.000 0.255 58 Q C 0.600 176.606 176.000 0.010 0.000 1.013 58 Q CA 1.109 56.917 55.803 0.008 0.000 0.895 58 Q CB 0.632 29.376 28.738 0.009 0.000 1.271 58 Q HN 0.606 nan 8.270 nan 0.000 0.460 59 T N -0.822 113.737 114.554 0.008 0.000 2.903 59 T HA 0.726 5.076 4.350 0.000 0.000 0.299 59 T C -1.009 173.696 174.700 0.008 0.000 1.093 59 T CA -0.932 61.173 62.100 0.009 0.000 1.002 59 T CB 1.153 70.024 68.868 0.006 0.000 1.127 59 T HN 0.520 nan 8.240 nan 0.000 0.488 60 L N 2.033 123.261 121.223 0.009 0.000 2.470 60 L HA 0.704 5.045 4.340 0.000 0.000 0.268 60 L C -1.908 174.967 176.870 0.009 0.000 0.964 60 L CA -1.249 53.596 54.840 0.008 0.000 0.839 60 L CB 1.866 43.931 42.059 0.009 0.000 1.276 60 L HN 0.759 nan 8.230 nan 0.000 0.403 61 L N 5.593 126.820 121.223 0.007 0.000 2.280 61 L HA 0.600 4.940 4.340 0.000 0.000 0.287 61 L C -1.128 175.746 176.870 0.007 0.000 1.023 61 L CA 0.047 54.891 54.840 0.007 0.000 0.819 61 L CB 1.261 43.323 42.059 0.005 0.000 1.212 61 L HN 0.551 nan 8.230 nan 0.000 0.420 62 L N 4.200 125.427 121.223 0.007 0.000 2.331 62 L HA 0.645 4.985 4.340 0.000 0.000 0.268 62 L C -0.144 176.730 176.870 0.006 0.000 1.015 62 L CA -0.665 54.179 54.840 0.007 0.000 0.807 62 L CB 1.560 43.623 42.059 0.008 0.000 1.293 62 L HN 0.582 nan 8.230 nan 0.000 0.451 63 Q N -0.339 119.464 119.800 0.005 0.000 2.528 63 Q HA 0.337 4.678 4.340 0.000 0.000 0.289 63 Q C -1.074 174.929 176.000 0.005 0.000 1.091 63 Q CA -1.107 54.699 55.803 0.005 0.000 0.797 63 Q CB 1.743 30.483 28.738 0.004 0.000 1.466 63 Q HN 0.446 nan 8.270 nan 0.000 0.436 64 N N 1.133 119.835 118.700 0.004 0.000 2.225 64 N HA -0.055 4.685 4.740 0.000 0.000 0.257 64 N C -1.141 174.372 175.510 0.005 0.000 1.252 64 N CA 0.946 53.998 53.050 0.004 0.000 0.833 64 N CB 0.323 38.812 38.487 0.003 0.000 1.068 64 N HN 0.284 nan 8.380 nan 0.000 0.468 65 L N 2.748 123.974 121.223 0.005 0.000 2.341 65 L HA 0.275 4.616 4.340 0.000 0.000 0.278 65 L C 0.477 177.350 176.870 0.005 0.000 1.005 65 L CA -0.760 54.083 54.840 0.005 0.000 0.818 65 L CB 1.827 43.890 42.059 0.007 0.000 1.259 65 L HN 0.334 nan 8.230 nan 0.000 0.418 66 Q N 1.914 121.717 119.800 0.005 0.000 2.308 66 Q HA 0.101 4.441 4.340 0.000 0.000 0.313 66 Q C 1.099 177.102 176.000 0.005 0.000 1.075 66 Q CA 1.282 57.088 55.803 0.004 0.000 0.995 66 Q CB 0.275 29.015 28.738 0.004 0.000 1.107 66 Q HN 0.992 nan 8.270 nan 0.000 0.380 67 G N 2.025 110.828 108.800 0.005 0.000 2.194 67 G HA2 -0.236 3.725 3.960 0.000 0.000 0.236 67 G HA3 -0.236 3.725 3.960 0.000 0.000 0.236 67 G C -0.072 174.832 174.900 0.006 0.000 0.987 67 G CA -0.330 44.773 45.100 0.005 0.000 0.635 67 G HN 0.446 nan 8.290 nan 0.000 0.520 68 L N -0.316 120.910 121.223 0.006 0.000 2.330 68 L HA 0.579 4.919 4.340 0.000 0.000 0.271 68 L C 1.064 177.938 176.870 0.006 0.000 1.013 68 L CA -1.070 53.775 54.840 0.007 0.000 0.816 68 L CB 1.663 43.727 42.059 0.008 0.000 1.287 68 L HN -0.037 nan 8.230 nan 0.000 0.435 69 K N 0.849 121.252 120.400 0.006 0.000 2.372 69 K HA 0.326 4.646 4.320 0.000 0.000 0.200 69 K C 0.109 176.712 176.600 0.005 0.000 1.022 69 K CA -0.137 56.153 56.287 0.005 0.000 1.125 69 K CB 0.890 33.393 32.500 0.004 0.000 0.855 69 K HN 0.600 nan 8.250 nan 0.000 0.524 70 A N 1.424 124.248 122.820 0.006 0.000 2.309 70 A HA 0.178 4.498 4.320 0.000 0.000 0.298 70 A C 0.618 178.205 177.584 0.006 0.000 1.165 70 A CA -0.505 51.536 52.037 0.007 0.000 0.821 70 A CB 0.659 19.665 19.000 0.009 0.000 1.102 70 A HN 0.204 nan 8.150 nan 0.000 0.500 71 E N 0.891 121.093 120.200 0.005 0.000 2.152 71 E HA -0.072 4.278 4.350 0.000 0.000 0.192 71 E C 0.221 176.824 176.600 0.005 0.000 0.983 71 E CA 0.894 57.297 56.400 0.004 0.000 0.818 71 E CB 0.140 29.842 29.700 0.003 0.000 0.758 71 E HN 0.641 nan 8.360 nan 0.000 0.467 72 R N -0.229 120.275 120.500 0.006 0.000 2.795 72 R HA 0.496 4.836 4.340 0.000 0.000 0.275 72 R C -1.398 174.907 176.300 0.009 0.000 0.981 72 R CA -0.668 55.436 56.100 0.007 0.000 0.917 72 R CB 2.619 32.922 30.300 0.006 0.000 1.202 72 R HN -0.183 nan 8.270 nan 0.000 0.469 73 V N 2.877 122.796 119.914 0.010 0.000 2.407 73 V HA 0.296 4.416 4.120 0.000 0.000 0.291 73 V C -1.027 175.075 176.094 0.013 0.000 1.018 73 V CA -0.768 61.539 62.300 0.013 0.000 0.842 73 V CB 1.610 33.441 31.823 0.013 0.000 0.996 73 V HN 0.460 nan 8.190 nan 0.000 0.426 74 L N 7.013 128.245 121.223 0.015 0.000 2.260 74 L HA 0.535 4.875 4.340 0.000 0.000 0.289 74 L C -0.416 176.466 176.870 0.020 0.000 1.057 74 L CA 0.257 55.106 54.840 0.015 0.000 0.811 74 L CB 0.733 42.799 42.059 0.013 0.000 1.184 74 L HN 0.518 nan 8.230 nan 0.000 0.429 75 L N 6.067 127.301 121.223 0.018 0.000 2.276 75 L HA 0.531 4.872 4.340 0.000 0.000 0.286 75 L C -0.253 176.631 176.870 0.023 0.000 1.061 75 L CA -0.554 54.300 54.840 0.022 0.000 0.807 75 L CB 1.447 43.518 42.059 0.019 0.000 1.177 75 L HN 0.397 nan 8.230 nan 0.000 0.429 76 V N 2.756 122.688 119.914 0.030 0.000 2.540 76 V HA 0.706 4.826 4.120 0.000 0.000 0.302 76 V C 0.376 176.493 176.094 0.038 0.000 1.035 76 V CA -0.314 62.004 62.300 0.031 0.000 0.873 76 V CB 1.955 33.796 31.823 0.030 0.000 0.992 76 V HN 0.798 nan 8.190 nan 0.000 0.428 77 G N 3.460 112.280 108.800 0.032 0.000 2.403 77 G HA2 0.387 4.348 3.960 0.000 0.000 0.259 77 G HA3 0.387 4.348 3.960 0.000 0.000 0.259 77 G C 0.759 175.688 174.900 0.048 0.000 1.244 77 G CA 0.294 45.414 45.100 0.033 0.000 0.849 77 G HN 1.257 nan 8.290 nan 0.000 0.532 78 S N 1.021 116.751 115.700 0.050 0.000 2.524 78 S HA 0.497 4.967 4.470 0.000 0.000 0.215 78 S C 1.351 175.976 174.600 0.041 0.000 0.986 78 S CA 0.555 58.793 58.200 0.063 0.000 0.911 78 S CB -0.080 63.158 63.200 0.063 0.000 0.805 78 S HN 2.203 nan 8.310 nan 0.000 0.501 79 G N 1.704 110.520 108.800 0.027 0.000 2.615 79 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 79 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 79 G C -0.597 174.308 174.900 0.008 0.000 1.339 79 G CA -0.567 44.543 45.100 0.016 0.000 0.884 79 G HN 0.516 nan 8.290 nan 0.000 0.559 80 K N -0.293 120.108 120.400 0.003 0.000 2.508 80 K HA 0.133 4.454 4.320 0.000 0.000 0.273 80 K C 1.044 177.639 176.600 -0.008 0.000 0.964 80 K CA 0.858 57.143 56.287 -0.004 0.000 0.948 80 K CB 0.162 32.658 32.500 -0.006 0.000 0.917 80 K HN 0.540 nan 8.250 nan 0.000 0.512 81 D N 1.388 121.781 120.400 -0.011 0.000 2.378 81 D HA -0.085 4.555 4.640 0.000 0.000 0.227 81 D C 0.015 176.299 176.300 -0.026 0.000 1.012 81 D CA 0.420 54.410 54.000 -0.017 0.000 0.905 81 D CB 0.181 40.973 40.800 -0.014 0.000 0.895 81 D HN 0.491 nan 8.370 nan 0.000 0.532 82 E N -0.643 119.541 120.200 -0.027 0.000 2.312 82 E HA 0.474 4.824 4.350 0.000 0.000 0.259 82 E C -0.377 176.193 176.600 -0.050 0.000 1.122 82 E CA -1.047 55.333 56.400 -0.035 0.000 0.922 82 E CB 1.028 30.711 29.700 -0.028 0.000 1.109 82 E HN -0.048 nan 8.360 nan 0.000 0.442 83 A N 2.157 124.939 122.820 -0.063 0.000 2.511 83 A HA 0.214 4.534 4.320 0.000 0.000 0.242 83 A C 0.392 177.928 177.584 -0.080 0.000 1.069 83 A CA -0.376 51.605 52.037 -0.094 0.000 0.763 83 A CB -0.131 18.808 19.000 -0.101 0.000 1.001 83 A HN 0.563 nan 8.150 nan 0.000 0.498 84 L N 2.321 123.484 121.223 -0.099 0.000 2.452 84 L HA 0.318 4.658 4.340 0.000 0.000 0.267 84 L C 1.381 178.230 176.870 -0.035 0.000 1.188 84 L CA -0.165 54.649 54.840 -0.042 0.000 0.821 84 L CB 0.359 42.419 42.059 0.002 0.000 1.102 84 L HN 0.868 nan 8.230 nan 0.000 0.470 85 G N 0.380 109.181 108.800 0.002 0.000 2.572 85 G HA2 0.056 4.016 3.960 0.000 0.000 0.261 85 G HA3 0.056 4.016 3.960 0.000 0.000 0.261 85 G C 0.383 175.320 174.900 0.061 0.000 1.197 85 G CA -0.411 44.696 45.100 0.011 0.000 0.870 85 G HN 0.724 nan 8.290 nan 0.000 0.548 86 D N -0.069 120.367 120.400 0.059 0.000 2.116 86 D HA -0.135 4.505 4.640 0.000 0.000 0.193 86 D C 2.419 178.787 176.300 0.114 0.000 0.998 86 D CA 1.053 55.119 54.000 0.110 0.000 0.836 86 D CB 0.041 40.883 40.800 0.070 0.000 0.951 86 D HN 0.423 nan 8.370 nan 0.000 0.449 87 R N -0.049 120.484 120.500 0.055 0.000 2.075 87 R HA -0.053 4.287 4.340 0.000 0.000 0.232 87 R C 2.201 178.526 176.300 0.041 0.000 1.126 87 R CA 1.564 57.680 56.100 0.027 0.000 0.963 87 R CB -0.504 29.789 30.300 -0.011 0.000 0.858 87 R HN 0.094 nan 8.270 nan 0.000 0.435 88 T N -0.315 114.278 114.554 0.066 0.000 2.708 88 T HA -0.199 4.152 4.350 0.000 0.000 0.266 88 T C 1.332 176.123 174.700 0.151 0.000 1.037 88 T CA 1.327 63.475 62.100 0.081 0.000 1.146 88 T CB -0.487 68.422 68.868 0.070 0.000 0.865 88 T HN 0.491 nan 8.240 nan 0.000 0.435 89 W N 2.382 123.656 121.300 -0.042 0.000 2.335 89 W HA -0.201 4.460 4.660 0.000 0.000 0.311 89 W C 2.234 178.729 176.519 -0.040 0.000 1.213 89 W CA 0.993 58.308 57.345 -0.050 0.000 1.274 89 W CB -0.136 29.283 29.460 -0.069 0.000 1.148 89 W HN 0.187 nan 8.180 nan 0.000 0.498 90 R N 0.238 120.697 120.500 -0.070 0.000 2.115 90 R HA -0.122 4.218 4.340 0.000 0.000 0.230 90 R C 2.254 178.457 176.300 -0.162 0.000 1.111 90 R CA 1.456 57.428 56.100 -0.214 0.000 0.976 90 R CB -0.313 29.927 30.300 -0.100 0.000 0.870 90 R HN 0.205 nan 8.270 nan 0.000 0.445 91 K N 0.734 121.088 120.400 -0.076 0.000 2.025 91 K HA -0.061 4.259 4.320 0.000 0.000 0.207 91 K C 2.083 178.639 176.600 -0.073 0.000 1.049 91 K CA 0.737 56.989 56.287 -0.058 0.000 0.933 91 K CB -0.257 32.230 32.500 -0.021 0.000 0.714 91 K HN 0.090 nan 8.250 nan 0.000 0.438 92 L N 1.664 122.851 121.223 -0.059 0.000 2.043 92 L HA -0.187 4.153 4.340 0.000 0.000 0.212 92 L C 2.013 178.793 176.870 -0.150 0.000 1.075 92 L CA 1.820 56.626 54.840 -0.056 0.000 0.752 92 L CB -0.712 41.369 42.059 0.038 0.000 0.891 92 L HN -0.017 nan 8.230 nan 0.000 0.432 93 V N 0.722 120.452 119.914 -0.305 0.000 2.343 93 V HA -0.222 3.898 4.120 0.000 0.000 0.247 93 V C 3.020 179.002 176.094 -0.186 0.000 1.051 93 V CA 1.587 63.682 62.300 -0.341 0.000 1.036 93 V CB -1.128 30.363 31.823 -0.552 0.000 0.654 93 V HN 0.615 nan 8.190 nan 0.000 0.451 94 A N -0.629 122.103 122.820 -0.147 0.000 1.968 94 A HA -0.128 4.192 4.320 0.000 0.000 0.217 94 A C 2.449 179.999 177.584 -0.057 0.000 1.169 94 A CA 1.787 53.772 52.037 -0.086 0.000 0.638 94 A CB -0.468 18.492 19.000 -0.067 0.000 0.812 94 A HN 0.504 nan 8.150 nan 0.000 0.446 95 S N -0.294 115.373 115.700 -0.055 0.000 2.368 95 S HA -0.119 4.351 4.470 0.000 0.000 0.224 95 S C 1.890 176.472 174.600 -0.030 0.000 1.029 95 S CA 1.338 59.518 58.200 -0.033 0.000 0.988 95 S CB -0.451 62.735 63.200 -0.024 0.000 0.838 95 S HN 0.332 nan 8.310 nan 0.000 0.462 96 V N 2.157 122.046 119.914 -0.042 0.000 2.287 96 V HA -0.249 3.871 4.120 0.000 0.000 0.248 96 V C 2.692 178.768 176.094 -0.029 0.000 1.053 96 V CA 1.854 64.135 62.300 -0.032 0.000 1.027 96 V CB -1.224 30.573 31.823 -0.043 0.000 0.646 96 V HN 0.548 nan 8.190 nan 0.000 0.447 97 A N 0.327 123.122 122.820 -0.041 0.000 1.883 97 A HA -0.133 4.188 4.320 0.000 0.000 0.217 97 A C 2.446 180.019 177.584 -0.017 0.000 1.186 97 A CA 2.078 54.098 52.037 -0.029 0.000 0.624 97 A CB -1.384 17.594 19.000 -0.036 0.000 0.822 97 A HN 0.551 nan 8.150 nan 0.000 0.444 98 G N -0.630 108.159 108.800 -0.017 0.000 2.440 98 G HA2 -0.154 3.807 3.960 0.000 0.000 0.218 98 G HA3 -0.154 3.807 3.960 0.000 0.000 0.218 98 G C 1.511 176.407 174.900 -0.006 0.000 1.154 98 G CA 1.365 46.460 45.100 -0.009 0.000 0.767 98 G HN 0.343 nan 8.290 nan 0.000 0.552 99 V N 1.016 120.925 119.914 -0.008 0.000 2.307 99 V HA -0.104 4.017 4.120 0.000 0.000 0.245 99 V C 2.901 178.993 176.094 -0.004 0.000 1.045 99 V CA 1.540 63.838 62.300 -0.004 0.000 1.024 99 V CB -0.442 31.379 31.823 -0.003 0.000 0.651 99 V HN 0.365 nan 8.190 nan 0.000 0.449 100 L N -0.442 120.778 121.223 -0.005 0.000 2.131 100 L HA -0.160 4.180 4.340 0.000 0.000 0.210 100 L C 2.511 179.379 176.870 -0.004 0.000 1.092 100 L CA 1.473 56.311 54.840 -0.004 0.000 0.759 100 L CB -0.752 41.305 42.059 -0.004 0.000 0.903 100 L HN 0.298 nan 8.230 nan 0.000 0.435 101 K N 0.347 120.744 120.400 -0.004 0.000 2.148 101 K HA -0.068 4.253 4.320 0.000 0.000 0.204 101 K C 1.950 178.548 176.600 -0.003 0.000 1.050 101 K CA 1.286 57.571 56.287 -0.003 0.000 0.942 101 K CB -0.318 32.180 32.500 -0.002 0.000 0.724 101 K HN 0.400 nan 8.250 nan 0.000 0.446 102 G N 0.943 109.742 108.800 -0.002 0.000 2.985 102 G HA2 0.104 4.064 3.960 0.000 0.000 0.209 102 G HA3 0.104 4.064 3.960 0.000 0.000 0.209 102 G C 0.464 175.363 174.900 -0.002 0.000 1.165 102 G CA -0.141 44.958 45.100 -0.002 0.000 0.776 102 G HN -0.018 nan 8.290 nan 0.000 0.541 103 L N -0.432 120.789 121.223 -0.002 0.000 2.387 103 L HA 0.365 4.705 4.340 0.000 0.000 0.266 103 L C 0.451 177.320 176.870 -0.002 0.000 1.059 103 L CA -0.958 53.881 54.840 -0.001 0.000 0.801 103 L CB 1.240 43.299 42.059 -0.000 0.000 1.223 103 L HN -0.108 nan 8.230 nan 0.000 0.456 104 N N 0.536 119.235 118.700 -0.002 0.000 3.052 104 N HA 0.214 4.954 4.740 0.000 0.000 0.302 104 N C -0.411 175.097 175.510 -0.002 0.000 1.332 104 N CA -0.126 52.922 53.050 -0.003 0.000 1.129 104 N CB 0.194 38.680 38.487 -0.003 0.000 1.436 104 N HN 0.704 nan 8.380 nan 0.000 0.536 105 G N -1.307 107.492 108.800 -0.002 0.000 2.452 105 G HA2 0.582 4.542 3.960 0.000 0.000 0.324 105 G HA3 0.582 4.542 3.960 0.000 0.000 0.324 105 G C 0.452 175.351 174.900 -0.002 0.000 1.214 105 G CA -0.515 44.584 45.100 -0.001 0.000 0.947 105 G HN 0.289 nan 8.290 nan 0.000 0.478 106 A N 1.354 124.172 122.820 -0.002 0.000 2.021 106 A HA 0.312 4.632 4.320 0.000 0.000 0.216 106 A C 0.917 178.500 177.584 -0.003 0.000 1.163 106 A CA 1.492 53.527 52.037 -0.003 0.000 0.676 106 A CB -0.102 18.896 19.000 -0.004 0.000 0.818 106 A HN 0.721 nan 8.150 nan 0.000 0.453 107 D N -2.481 117.918 120.400 -0.002 0.000 2.552 107 D HA 0.682 5.322 4.640 0.000 0.000 0.239 107 D C -0.700 175.600 176.300 0.001 0.000 1.139 107 D CA -0.069 53.931 54.000 -0.001 0.000 0.914 107 D CB 1.339 42.138 40.800 -0.001 0.000 1.461 107 D HN 0.283 nan 8.370 nan 0.000 0.462 108 A N 0.027 122.848 122.820 0.002 0.000 2.539 108 A HA 0.665 4.986 4.320 0.000 0.000 0.296 108 A C -1.440 176.148 177.584 0.008 0.000 1.073 108 A CA -0.771 51.269 52.037 0.005 0.000 0.700 108 A CB 1.907 20.910 19.000 0.005 0.000 1.296 108 A HN 0.426 nan 8.150 nan 0.000 0.405 109 V N 1.902 121.824 119.914 0.012 0.000 2.417 109 V HA 0.400 4.520 4.120 0.000 0.000 0.291 109 V C -1.039 175.073 176.094 0.030 0.000 1.024 109 V CA -0.440 61.870 62.300 0.017 0.000 0.861 109 V CB 1.327 33.159 31.823 0.015 0.000 0.985 109 V HN 0.684 nan 8.190 nan 0.000 0.436 110 L N 4.783 126.030 121.223 0.040 0.000 2.264 110 L HA 0.598 4.938 4.340 0.000 0.000 0.287 110 L C 0.672 177.599 176.870 0.096 0.000 1.039 110 L CA 0.002 54.885 54.840 0.071 0.000 0.829 110 L CB 1.154 43.265 42.059 0.087 0.000 1.211 110 L HN 0.745 nan 8.230 nan 0.000 0.427 111 A N 5.548 128.425 122.820 0.095 0.000 3.173 111 A HA 0.507 4.828 4.320 0.000 0.000 0.304 111 A C 0.564 178.229 177.584 0.135 0.000 1.318 111 A CA -0.202 51.895 52.037 0.101 0.000 1.069 111 A CB -0.456 18.584 19.000 0.067 0.000 1.147 111 A HN 0.710 nan 8.150 nan 0.000 0.547 112 L N -0.215 121.134 121.223 0.210 0.000 2.872 112 L HA 0.133 4.473 4.340 0.000 0.000 0.245 112 L C 1.296 178.294 176.870 0.214 0.000 1.211 112 L CA -0.061 54.923 54.840 0.240 0.000 1.013 112 L CB 0.153 42.431 42.059 0.365 0.000 1.326 112 L HN 0.534 nan 8.230 nan 0.000 0.525 113 D N 1.104 121.625 120.400 0.201 0.000 2.172 113 D HA -0.250 4.390 4.640 0.000 0.000 0.196 113 D C 1.546 177.873 176.300 0.044 0.000 0.999 113 D CA 1.566 55.660 54.000 0.158 0.000 0.856 113 D CB 0.314 41.199 40.800 0.142 0.000 0.934 113 D HN 0.268 nan 8.370 nan 0.000 0.453 114 D N -0.420 119.999 120.400 0.033 0.000 2.264 114 D HA -0.062 4.578 4.640 0.000 0.000 0.208 114 D C 0.280 176.540 176.300 -0.066 0.000 0.966 114 D CA 0.210 54.204 54.000 -0.010 0.000 0.864 114 D CB 0.045 40.850 40.800 0.008 0.000 0.933 114 D HN 0.123 nan 8.370 nan 0.000 0.499 115 V N 1.376 121.231 119.914 -0.098 0.000 2.521 115 V HA 0.294 4.414 4.120 0.000 0.000 0.286 115 V C 0.572 176.442 176.094 -0.374 0.000 1.034 115 V CA -0.601 61.570 62.300 -0.215 0.000 1.045 115 V CB 0.953 32.629 31.823 -0.244 0.000 0.974 115 V HN 0.066 nan 8.190 nan 0.000 0.480 116 A N 5.364 127.995 122.820 -0.315 0.000 2.292 116 A HA 0.767 5.088 4.320 0.000 0.000 0.319 116 A C -0.588 176.760 177.584 -0.392 0.000 1.206 116 A CA -0.505 51.337 52.037 -0.324 0.000 0.835 116 A CB 1.216 20.099 19.000 -0.196 0.000 1.164 116 A HN 0.655 nan 8.150 nan 0.000 0.505 117 V N 3.048 122.690 119.914 -0.453 0.000 2.417 117 V HA 0.195 4.315 4.120 0.000 0.000 0.291 117 V C 0.374 176.330 176.094 -0.231 0.000 1.024 117 V CA -0.964 61.087 62.300 -0.416 0.000 0.861 117 V CB 1.441 32.871 31.823 -0.655 0.000 0.985 117 V HN 0.983 nan 8.190 nan 0.000 0.436 118 N N 4.411 123.021 118.700 -0.151 0.000 2.301 118 N HA -0.092 4.648 4.740 0.000 0.000 0.267 118 N C 0.825 176.289 175.510 -0.076 0.000 1.304 118 N CA 1.092 54.086 53.050 -0.093 0.000 0.851 118 N CB -0.347 38.105 38.487 -0.059 0.000 1.070 118 N HN 0.801 nan 8.380 nan 0.000 0.483 119 N N 1.302 119.963 118.700 -0.065 0.000 2.708 119 N HA -0.252 4.488 4.740 0.000 0.000 0.251 119 N C -1.377 174.108 175.510 -0.042 0.000 1.123 119 N CA 1.073 54.097 53.050 -0.042 0.000 0.739 119 N CB -0.622 37.852 38.487 -0.020 0.000 1.113 119 N HN 0.671 nan 8.380 nan 0.000 0.561 120 R N 0.362 120.816 120.500 -0.077 0.000 2.621 120 R HA 0.274 4.614 4.340 0.000 0.000 0.292 120 R C -0.678 175.567 176.300 -0.092 0.000 0.969 120 R CA -0.654 55.405 56.100 -0.068 0.000 0.887 120 R CB 1.072 31.319 30.300 -0.089 0.000 1.180 120 R HN 0.286 nan 8.270 nan 0.000 0.450 121 D N 1.468 121.847 120.400 -0.035 0.000 2.382 121 D HA 0.024 4.664 4.640 0.000 0.000 0.240 121 D C 0.733 176.957 176.300 -0.127 0.000 1.146 121 D CA -0.369 53.597 54.000 -0.056 0.000 0.897 121 D CB 0.924 41.738 40.800 0.025 0.000 1.197 121 D HN 0.529 nan 8.370 nan 0.000 0.432 122 A N 1.529 124.186 122.820 -0.271 0.000 2.209 122 A HA -0.117 4.203 4.320 0.000 0.000 0.212 122 A C 1.173 178.606 177.584 -0.252 0.000 1.158 122 A CA 0.812 52.623 52.037 -0.377 0.000 0.742 122 A CB -0.547 18.173 19.000 -0.468 0.000 0.790 122 A HN 0.682 nan 8.150 nan 0.000 0.472 123 H N -3.869 115.305 119.070 0.174 0.000 2.408 123 H HA 0.116 4.672 4.556 0.000 0.000 0.271 123 H C 1.643 177.169 175.328 0.331 0.000 0.957 123 H CA 1.185 57.405 56.048 0.287 0.000 1.170 123 H CB -0.464 29.409 29.762 0.185 0.000 1.458 123 H HN 0.523 nan 8.280 nan 0.000 0.491 124 Y N 1.579 122.027 120.300 0.245 0.000 2.190 124 Y HA 0.144 4.695 4.550 0.000 0.000 0.290 124 Y C 2.646 178.641 175.900 0.158 0.000 1.115 124 Y CA 1.521 59.734 58.100 0.187 0.000 1.107 124 Y CB -0.535 38.007 38.460 0.137 0.000 1.033 124 Y HN 0.146 nan 8.280 nan 0.000 0.502 125 G N 0.487 109.388 108.800 0.169 0.000 2.480 125 G HA2 -0.356 3.605 3.960 0.000 0.000 0.216 125 G HA3 -0.356 3.605 3.960 0.000 0.000 0.216 125 G C 1.691 176.583 174.900 -0.014 0.000 1.200 125 G CA 1.216 46.351 45.100 0.059 0.000 0.782 125 G HN 0.407 nan 8.290 nan 0.000 0.554 126 K N -0.629 119.727 120.400 -0.074 0.000 2.034 126 K HA -0.207 4.113 4.320 0.000 0.000 0.214 126 K C 2.241 178.839 176.600 -0.002 0.000 1.051 126 K CA 1.778 57.953 56.287 -0.187 0.000 0.931 126 K CB -0.409 31.790 32.500 -0.503 0.000 0.715 126 K HN 0.395 nan 8.250 nan 0.000 0.446 127 Y N 0.439 120.818 120.300 0.130 0.000 2.516 127 Y HA 0.045 4.595 4.550 0.000 0.000 0.291 127 Y C 2.336 178.241 175.900 0.009 0.000 1.131 127 Y CA 0.416 58.590 58.100 0.123 0.000 1.281 127 Y CB 0.072 38.585 38.460 0.088 0.000 1.013 127 Y HN 0.038 nan 8.280 nan 0.000 0.554 128 R N -0.217 120.281 120.500 -0.003 0.000 2.081 128 R HA -0.145 4.195 4.340 0.000 0.000 0.235 128 R C 1.930 178.237 176.300 0.011 0.000 1.131 128 R CA 1.120 57.163 56.100 -0.096 0.000 0.960 128 R CB -0.808 29.353 30.300 -0.233 0.000 0.856 128 R HN 0.333 nan 8.270 nan 0.000 0.436 129 L N 0.505 121.770 121.223 0.070 0.000 2.044 129 L HA -0.088 4.252 4.340 0.000 0.000 0.205 129 L C 2.513 179.364 176.870 -0.032 0.000 1.075 129 L CA 1.126 56.005 54.840 0.064 0.000 0.747 129 L CB -0.875 41.289 42.059 0.175 0.000 0.903 129 L HN 0.122 nan 8.230 nan 0.000 0.435 130 L N -0.712 120.501 121.223 -0.016 0.000 2.012 130 L HA -0.248 4.092 4.340 0.000 0.000 0.210 130 L C 2.463 179.301 176.870 -0.054 0.000 1.073 130 L CA 1.808 56.540 54.840 -0.180 0.000 0.748 130 L CB -0.330 41.704 42.059 -0.041 0.000 0.891 130 L HN 0.248 nan 8.230 nan 0.000 0.431 131 A N -0.922 121.925 122.820 0.046 0.000 1.968 131 A HA -0.228 4.092 4.320 0.000 0.000 0.217 131 A C 2.225 179.813 177.584 0.007 0.000 1.169 131 A CA 1.500 53.558 52.037 0.035 0.000 0.638 131 A CB -0.579 18.453 19.000 0.053 0.000 0.812 131 A HN 0.636 nan 8.150 nan 0.000 0.446 132 E N -0.594 119.606 120.200 0.001 0.000 2.072 132 E HA -0.153 4.198 4.350 0.000 0.000 0.191 132 E C 1.858 178.447 176.600 -0.019 0.000 0.985 132 E CA 1.600 57.999 56.400 -0.001 0.000 0.801 132 E CB -0.117 29.583 29.700 0.001 0.000 0.750 132 E HN 0.509 nan 8.360 nan 0.000 0.452 133 T N 1.251 115.772 114.554 -0.054 0.000 2.821 133 T HA -0.089 4.261 4.350 0.000 0.000 0.267 133 T C 1.840 176.507 174.700 -0.055 0.000 1.046 133 T CA 0.940 62.996 62.100 -0.073 0.000 1.139 133 T CB -0.096 68.684 68.868 -0.146 0.000 0.871 133 T HN 0.145 nan 8.240 nan 0.000 0.454 134 L N 0.155 121.344 121.223 -0.056 0.000 2.027 134 L HA -0.012 4.328 4.340 0.000 0.000 0.206 134 L C 2.407 179.276 176.870 -0.003 0.000 1.074 134 L CA 1.186 56.004 54.840 -0.036 0.000 0.745 134 L CB -0.485 41.556 42.059 -0.031 0.000 0.898 134 L HN 0.245 nan 8.230 nan 0.000 0.433 135 L N -0.671 120.558 121.223 0.009 0.000 2.095 135 L HA -0.155 4.185 4.340 0.000 0.000 0.204 135 L C 2.121 179.024 176.870 0.055 0.000 1.080 135 L CA 1.086 55.945 54.840 0.031 0.000 0.759 135 L CB -0.408 41.671 42.059 0.033 0.000 0.914 135 L HN 0.217 nan 8.230 nan 0.000 0.439 136 D N 0.012 120.440 120.400 0.047 0.000 2.264 136 D HA -0.128 4.513 4.640 0.000 0.000 0.208 136 D C 2.087 178.440 176.300 0.088 0.000 0.966 136 D CA 1.062 55.101 54.000 0.066 0.000 0.864 136 D CB 0.112 40.924 40.800 0.021 0.000 0.933 136 D HN 0.219 nan 8.370 nan 0.000 0.499 137 G N -0.230 108.602 108.800 0.053 0.000 2.484 137 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 137 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 137 G C 1.415 176.359 174.900 0.073 0.000 1.130 137 G CA 0.118 45.249 45.100 0.052 0.000 0.784 137 G HN 0.182 nan 8.290 nan 0.000 0.543 138 E N -0.351 119.895 120.200 0.076 0.000 2.418 138 E HA -0.030 4.320 4.350 0.000 0.000 0.197 138 E C 0.171 176.826 176.600 0.093 0.000 1.026 138 E CA -0.354 56.086 56.400 0.066 0.000 0.862 138 E CB -0.199 29.532 29.700 0.051 0.000 0.799 138 E HN 0.573 nan 8.360 nan 0.000 0.518 139 Y N 1.029 121.352 120.300 0.038 0.000 2.620 139 Y HA 0.031 4.582 4.550 0.000 0.000 0.330 139 Y C -0.280 175.664 175.900 0.072 0.000 1.186 139 Y CA 0.163 58.299 58.100 0.061 0.000 1.467 139 Y CB 0.458 38.957 38.460 0.066 0.000 1.262 139 Y HN -0.345 nan 8.280 nan 0.000 0.550 140 V N 8.168 127.710 119.914 -0.621 0.000 2.711 140 V HA 0.203 4.323 4.120 0.000 0.000 0.304 140 V C -1.265 174.494 176.094 -0.558 0.000 1.097 140 V CA -1.126 60.944 62.300 -0.383 0.000 0.906 140 V CB 1.654 33.370 31.823 -0.178 0.000 1.015 140 V HN 0.661 nan 8.190 nan 0.000 0.427 141 F N 5.252 124.966 119.950 -0.394 0.000 2.310 141 F HA 0.509 5.036 4.527 0.000 0.000 0.365 141 F C 0.499 176.261 175.800 -0.064 0.000 1.080 141 F CA -0.500 57.385 58.000 -0.192 0.000 1.187 141 F CB 0.780 39.834 39.000 0.089 0.000 1.465 141 F HN 0.700 nan 8.300 nan 0.000 0.496 142 D N 3.097 123.283 120.400 -0.357 0.000 2.479 142 D HA 0.011 4.651 4.640 0.000 0.000 0.218 142 D C 1.797 177.861 176.300 -0.394 0.000 1.177 142 D CA -0.221 53.617 54.000 -0.269 0.000 0.830 142 D CB -0.282 40.423 40.800 -0.157 0.000 1.014 142 D HN 0.551 nan 8.370 nan 0.000 0.503 143 R N 0.729 120.808 120.500 -0.703 0.000 2.249 143 R HA -0.086 4.254 4.340 0.000 0.000 0.230 143 R C 0.242 176.033 176.300 -0.849 0.000 1.121 143 R CA 0.836 56.461 56.100 -0.792 0.000 0.997 143 R CB -0.625 29.099 30.300 -0.961 0.000 0.867 143 R HN 0.176 nan 8.270 nan 0.000 0.465 144 F N 0.822 120.593 119.950 -0.297 0.000 2.695 144 F HA 0.323 4.850 4.527 0.000 0.000 0.303 144 F C 0.546 176.284 175.800 -0.103 0.000 1.091 144 F CA -0.364 57.542 58.000 -0.157 0.000 1.300 144 F CB 0.401 39.340 39.000 -0.102 0.000 1.071 144 F HN -0.298 nan 8.300 nan 0.000 0.578 145 K N 0.614 121.008 120.400 -0.011 0.000 2.276 145 K HA 0.191 4.511 4.320 0.000 0.000 0.283 145 K C 1.011 177.594 176.600 -0.028 0.000 1.044 145 K CA 0.043 56.327 56.287 -0.005 0.000 0.944 145 K CB 1.606 34.092 32.500 -0.024 0.000 1.012 145 K HN -0.054 nan 8.250 nan 0.000 0.472 146 S N 1.871 117.565 115.700 -0.009 0.000 2.414 146 S HA -0.102 4.369 4.470 0.000 0.000 0.227 146 S C 0.557 175.142 174.600 -0.026 0.000 1.022 146 S CA 0.569 58.759 58.200 -0.017 0.000 0.958 146 S CB 0.076 63.273 63.200 -0.005 0.000 0.797 146 S HN 0.634 nan 8.310 nan 0.000 0.493 147 Q N 1.963 121.750 119.800 -0.022 0.000 2.349 147 Q HA 0.079 4.420 4.340 0.000 0.000 0.287 147 Q C -0.278 175.702 176.000 -0.033 0.000 1.044 147 Q CA 0.204 55.993 55.803 -0.023 0.000 0.918 147 Q CB 0.207 28.935 28.738 -0.017 0.000 1.242 147 Q HN 0.067 nan 8.270 nan 0.000 0.405 148 K N 2.279 122.661 120.400 -0.030 0.000 2.491 148 K HA 0.005 4.326 4.320 0.000 0.000 0.279 148 K C -0.207 176.371 176.600 -0.037 0.000 1.026 148 K CA -0.203 56.064 56.287 -0.034 0.000 1.070 148 K CB 0.569 33.053 32.500 -0.027 0.000 0.887 148 K HN 0.581 nan 8.250 nan 0.000 0.481 149 V N 4.846 124.732 119.914 -0.046 0.000 2.752 149 V HA -0.100 4.020 4.120 0.000 0.000 0.306 149 V C 0.061 176.134 176.094 -0.035 0.000 1.099 149 V CA 0.593 62.864 62.300 -0.047 0.000 1.240 149 V CB 0.441 32.228 31.823 -0.060 0.000 0.887 149 V HN 0.773 nan 8.190 nan 0.000 0.499 150 E N 7.890 128.072 120.200 -0.031 0.000 2.259 150 E HA 0.275 4.625 4.350 0.000 0.000 0.281 150 E C -2.146 174.440 176.600 -0.023 0.000 1.037 150 E CA -1.517 54.870 56.400 -0.023 0.000 0.854 150 E CB 0.660 30.349 29.700 -0.018 0.000 1.051 150 E HN 0.606 nan 8.360 nan 0.000 0.409 151 P HA 0.098 nan 4.420 nan 0.000 0.266 151 P C -0.527 176.763 177.300 -0.016 0.000 1.215 151 P CA 0.250 63.338 63.100 -0.019 0.000 0.763 151 P CB 0.528 32.218 31.700 -0.016 0.000 0.806 152 R N 2.058 122.549 120.500 -0.016 0.000 2.393 152 R HA 0.501 4.841 4.340 0.000 0.000 0.310 152 R C 1.295 177.589 176.300 -0.010 0.000 0.968 152 R CA -0.532 55.560 56.100 -0.012 0.000 0.867 152 R CB 1.663 31.956 30.300 -0.012 0.000 1.124 152 R HN 0.426 nan 8.270 nan 0.000 0.450 153 A N 3.755 126.570 122.820 -0.008 0.000 1.898 153 A HA -0.073 4.247 4.320 0.000 0.000 0.216 153 A C 0.756 178.336 177.584 -0.006 0.000 1.181 153 A CA 0.683 52.716 52.037 -0.007 0.000 0.620 153 A CB -0.235 18.762 19.000 -0.006 0.000 0.819 153 A HN 0.505 nan 8.150 nan 0.000 0.442 154 L N 0.341 121.560 121.223 -0.006 0.000 2.534 154 L HA 0.120 4.460 4.340 0.000 0.000 0.271 154 L C 0.751 177.618 176.870 -0.005 0.000 1.178 154 L CA 0.500 55.338 54.840 -0.004 0.000 0.907 154 L CB 0.379 42.435 42.059 -0.004 0.000 1.164 154 L HN 0.104 nan 8.230 nan 0.000 0.482 155 K N 3.903 124.301 120.400 -0.004 0.000 2.435 155 K HA 0.229 4.549 4.320 0.000 0.000 0.199 155 K C -0.151 176.448 176.600 -0.003 0.000 1.153 155 K CA 0.189 56.474 56.287 -0.004 0.000 0.974 155 K CB 0.524 33.021 32.500 -0.005 0.000 0.997 155 K HN 0.580 nan 8.250 nan 0.000 0.547 156 K N 0.685 121.084 120.400 -0.003 0.000 2.561 156 K HA 0.308 4.629 4.320 0.000 0.000 0.254 156 K C -1.757 174.842 176.600 -0.002 0.000 0.942 156 K CA -0.387 55.899 56.287 -0.003 0.000 0.818 156 K CB 2.058 34.556 32.500 -0.004 0.000 1.306 156 K HN -0.257 nan 8.250 nan 0.000 0.435 157 V N 2.681 122.594 119.914 -0.002 0.000 2.540 157 V HA 0.472 4.592 4.120 0.000 0.000 0.302 157 V C -0.674 175.418 176.094 -0.004 0.000 1.035 157 V CA -0.629 61.671 62.300 -0.001 0.000 0.873 157 V CB 2.153 33.977 31.823 0.001 0.000 0.992 157 V HN 0.871 nan 8.190 nan 0.000 0.428 158 T N 6.058 120.610 114.554 -0.004 0.000 2.794 158 T HA 0.626 4.976 4.350 0.000 0.000 0.280 158 T C -0.374 174.320 174.700 -0.011 0.000 0.987 158 T CA -0.357 61.736 62.100 -0.012 0.000 0.993 158 T CB 0.927 69.789 68.868 -0.011 0.000 0.939 158 T HN 0.363 nan 8.240 nan 0.000 0.449 159 L N 3.886 125.086 121.223 -0.039 0.000 2.264 159 L HA 0.476 4.816 4.340 0.000 0.000 0.289 159 L C -0.129 176.695 176.870 -0.078 0.000 1.044 159 L CA -0.818 53.984 54.840 -0.063 0.000 0.807 159 L CB 0.644 42.603 42.059 -0.167 0.000 1.192 159 L HN 0.384 nan 8.230 nan 0.000 0.425 160 L N 3.680 124.888 121.223 -0.026 0.000 2.305 160 L HA 0.706 5.046 4.340 0.000 0.000 0.281 160 L C 0.318 177.183 176.870 -0.009 0.000 1.085 160 L CA -0.109 54.722 54.840 -0.014 0.000 0.813 160 L CB 1.337 43.409 42.059 0.021 0.000 1.157 160 L HN 0.768 nan 8.230 nan 0.000 0.436 161 A N 2.278 125.083 122.820 -0.025 0.000 2.486 161 A HA 0.652 4.972 4.320 0.000 0.000 0.289 161 A C -1.383 176.212 177.584 0.018 0.000 1.176 161 A CA -0.768 51.278 52.037 0.016 0.000 0.757 161 A CB 1.389 20.359 19.000 -0.051 0.000 1.337 161 A HN 0.700 nan 8.150 nan 0.000 0.423 162 D N 0.155 120.580 120.400 0.043 0.000 2.339 162 D HA 0.200 4.841 4.640 0.000 0.000 0.245 162 D C 0.622 176.895 176.300 -0.044 0.000 1.115 162 D CA -0.389 53.620 54.000 0.013 0.000 0.917 162 D CB 0.673 41.502 40.800 0.049 0.000 1.192 162 D HN 0.541 nan 8.370 nan 0.000 0.428 163 K N 1.090 121.469 120.400 -0.034 0.000 2.089 163 K HA -0.220 4.100 4.320 0.000 0.000 0.210 163 K C 1.789 178.344 176.600 -0.074 0.000 1.048 163 K CA 1.880 58.139 56.287 -0.047 0.000 0.926 163 K CB -0.392 32.092 32.500 -0.028 0.000 0.714 163 K HN 0.548 nan 8.250 nan 0.000 0.448 164 A N 0.844 123.617 122.820 -0.079 0.000 2.119 164 A HA 0.026 4.346 4.320 0.000 0.000 0.216 164 A C 2.135 179.597 177.584 -0.203 0.000 1.152 164 A CA 1.341 53.321 52.037 -0.094 0.000 0.708 164 A CB -0.260 18.713 19.000 -0.045 0.000 0.805 164 A HN 0.429 nan 8.150 nan 0.000 0.460 165 G N -1.542 107.035 108.800 -0.372 0.000 3.159 165 G HA2 0.115 4.075 3.960 0.000 0.000 0.232 165 G HA3 0.115 4.075 3.960 0.000 0.000 0.232 165 G C 1.205 175.872 174.900 -0.389 0.000 1.116 165 G CA 0.603 45.236 45.100 -0.777 0.000 0.767 165 G HN 0.522 nan 8.290 nan 0.000 0.547 166 Q N 0.542 120.215 119.800 -0.212 0.000 2.030 166 Q HA -0.114 4.226 4.340 0.000 0.000 0.204 166 Q C 2.763 178.708 176.000 -0.092 0.000 0.986 166 Q CA 1.839 57.564 55.803 -0.130 0.000 0.843 166 Q CB -0.238 28.445 28.738 -0.093 0.000 0.904 166 Q HN 0.370 nan 8.270 nan 0.000 0.420 167 A N 0.703 123.477 122.820 -0.077 0.000 1.948 167 A HA -0.232 4.089 4.320 0.000 0.000 0.220 167 A C 1.911 179.488 177.584 -0.012 0.000 1.177 167 A CA 1.749 53.760 52.037 -0.043 0.000 0.636 167 A CB -0.536 18.442 19.000 -0.037 0.000 0.815 167 A HN 0.418 nan 8.150 nan 0.000 0.449 168 E N -0.378 119.823 120.200 0.002 0.000 2.112 168 E HA -0.061 4.289 4.350 0.000 0.000 0.190 168 E C 2.196 178.895 176.600 0.164 0.000 0.979 168 E CA 1.178 57.645 56.400 0.111 0.000 0.814 168 E CB -0.310 29.483 29.700 0.154 0.000 0.762 168 E HN 0.427 nan 8.360 nan 0.000 0.460 169 V N 1.280 121.236 119.914 0.069 0.000 2.427 169 V HA -0.211 3.909 4.120 0.000 0.000 0.248 169 V C 2.074 178.149 176.094 -0.031 0.000 1.051 169 V CA 1.627 63.929 62.300 0.004 0.000 1.048 169 V CB -0.443 31.260 31.823 -0.199 0.000 0.666 169 V HN 0.194 nan 8.190 nan 0.000 0.456 170 E N -0.109 120.070 120.200 -0.035 0.000 2.106 170 E HA -0.197 4.153 4.350 0.000 0.000 0.192 170 E C 2.451 179.025 176.600 -0.043 0.000 0.984 170 E CA 0.936 57.310 56.400 -0.043 0.000 0.806 170 E CB -0.151 29.523 29.700 -0.044 0.000 0.750 170 E HN 0.436 nan 8.360 nan 0.000 0.458 171 R N 0.435 120.926 120.500 -0.015 0.000 2.092 171 R HA -0.104 4.236 4.340 0.000 0.000 0.231 171 R C 2.209 178.465 176.300 -0.073 0.000 1.119 171 R CA 1.162 57.217 56.100 -0.075 0.000 0.970 171 R CB -0.144 30.165 30.300 0.014 0.000 0.864 171 R HN 0.139 nan 8.270 nan 0.000 0.440 172 A N 0.192 123.037 122.820 0.042 0.000 1.883 172 A HA -0.129 4.192 4.320 0.000 0.000 0.217 172 A C 2.225 179.763 177.584 -0.075 0.000 1.186 172 A CA 1.660 53.595 52.037 -0.169 0.000 0.624 172 A CB -0.610 18.303 19.000 -0.146 0.000 0.822 172 A HN 0.230 nan 8.150 nan 0.000 0.444 173 V N 0.097 119.990 119.914 -0.036 0.000 2.427 173 V HA -0.235 3.885 4.120 0.000 0.000 0.248 173 V C 2.528 178.615 176.094 -0.010 0.000 1.051 173 V CA 2.321 64.612 62.300 -0.015 0.000 1.048 173 V CB -0.579 31.229 31.823 -0.026 0.000 0.666 173 V HN 0.694 nan 8.190 nan 0.000 0.456 174 K N -0.425 119.944 120.400 -0.050 0.000 2.026 174 K HA -0.203 4.117 4.320 0.000 0.000 0.208 174 K C 2.122 178.767 176.600 0.074 0.000 1.048 174 K CA 1.931 58.200 56.287 -0.030 0.000 0.929 174 K CB -0.266 32.173 32.500 -0.102 0.000 0.713 174 K HN 0.648 nan 8.250 nan 0.000 0.439 175 H N -0.718 118.395 119.070 0.071 0.000 2.326 175 H HA -0.049 4.507 4.556 0.000 0.000 0.301 175 H C 2.060 177.408 175.328 0.033 0.000 1.081 175 H CA 0.708 56.797 56.048 0.069 0.000 1.334 175 H CB 0.009 29.851 29.762 0.132 0.000 1.385 175 H HN 0.375 nan 8.280 nan 0.000 0.504 176 A N 0.537 123.434 122.820 0.129 0.000 1.978 176 A HA -0.193 4.127 4.320 0.000 0.000 0.220 176 A C 2.395 180.016 177.584 0.061 0.000 1.170 176 A CA 1.845 53.921 52.037 0.066 0.000 0.636 176 A CB -0.459 18.560 19.000 0.032 0.000 0.810 176 A HN 0.302 nan 8.150 nan 0.000 0.448 177 S N -0.480 115.258 115.700 0.063 0.000 2.395 177 S HA 0.113 4.583 4.470 0.000 0.000 0.225 177 S C 2.300 176.937 174.600 0.060 0.000 1.027 177 S CA 0.858 59.090 58.200 0.053 0.000 0.965 177 S CB -0.333 62.893 63.200 0.043 0.000 0.812 177 S HN 0.784 nan 8.310 nan 0.000 0.482 178 A N 1.606 124.471 122.820 0.076 0.000 1.902 178 A HA -0.020 4.300 4.320 0.000 0.000 0.217 178 A C 2.037 179.653 177.584 0.054 0.000 1.181 178 A CA 1.122 53.198 52.037 0.064 0.000 0.623 178 A CB -0.690 18.355 19.000 0.075 0.000 0.818 178 A HN 0.463 nan 8.150 nan 0.000 0.443 179 I N -0.208 120.397 120.570 0.057 0.000 2.179 179 I HA -0.269 3.901 4.170 0.000 0.000 0.242 179 I C 2.999 179.145 176.117 0.049 0.000 1.088 179 I CA 1.081 62.408 61.300 0.046 0.000 1.357 179 I CB -0.391 37.633 38.000 0.040 0.000 1.051 179 I HN 0.343 nan 8.210 nan 0.000 0.409 180 A N 0.432 123.282 122.820 0.050 0.000 1.883 180 A HA -0.240 4.080 4.320 0.000 0.000 0.217 180 A C 2.397 180.028 177.584 0.079 0.000 1.186 180 A CA 2.645 54.715 52.037 0.056 0.000 0.624 180 A CB -1.258 17.775 19.000 0.054 0.000 0.822 180 A HN 0.407 nan 8.150 nan 0.000 0.444 181 T N -0.199 114.400 114.554 0.076 0.000 2.665 181 T HA -0.114 4.237 4.350 0.000 0.000 0.268 181 T C 1.965 176.737 174.700 0.119 0.000 1.035 181 T CA 1.741 63.892 62.100 0.086 0.000 1.151 181 T CB -0.792 68.110 68.868 0.057 0.000 0.862 181 T HN 0.623 nan 8.240 nan 0.000 0.438 182 G N 1.039 109.903 108.800 0.107 0.000 2.418 182 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 182 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 182 G C 1.580 176.573 174.900 0.155 0.000 1.158 182 G CA 0.772 45.964 45.100 0.153 0.000 0.771 182 G HN 0.424 nan 8.290 nan 0.000 0.545 183 M N 0.793 120.444 119.600 0.085 0.000 2.159 183 M HA 0.002 4.482 4.480 0.000 0.000 0.263 183 M C 3.022 179.329 176.300 0.011 0.000 1.063 183 M CA 1.360 56.675 55.300 0.024 0.000 1.110 183 M CB -0.215 32.376 32.600 -0.014 0.000 1.374 183 M HN 0.314 nan 8.290 nan 0.000 0.411 184 A N 0.028 122.909 122.820 0.102 0.000 1.930 184 A HA -0.170 4.151 4.320 0.000 0.000 0.217 184 A C 1.969 179.732 177.584 0.298 0.000 1.175 184 A CA 1.197 53.359 52.037 0.208 0.000 0.627 184 A CB -0.854 18.350 19.000 0.340 0.000 0.815 184 A HN 0.485 nan 8.150 nan 0.000 0.443 185 F N 1.470 121.474 119.950 0.091 0.000 2.102 185 F HA -0.115 4.412 4.527 0.000 0.000 0.298 185 F C 2.447 178.271 175.800 0.040 0.000 1.105 185 F CA 2.114 60.152 58.000 0.064 0.000 1.239 185 F CB -0.981 38.043 39.000 0.039 0.000 0.991 185 F HN 0.204 nan 8.300 nan 0.000 0.474 186 T N 0.773 115.310 114.554 -0.028 0.000 2.746 186 T HA -0.169 4.182 4.350 0.000 0.000 0.267 186 T C 2.104 176.734 174.700 -0.116 0.000 1.039 186 T CA 1.660 63.685 62.100 -0.125 0.000 1.142 186 T CB -0.192 68.651 68.868 -0.041 0.000 0.866 186 T HN 0.242 nan 8.240 nan 0.000 0.444 187 R N 0.805 121.227 120.500 -0.129 0.000 2.092 187 R HA -0.041 4.299 4.340 0.000 0.000 0.231 187 R C 2.219 178.471 176.300 -0.080 0.000 1.119 187 R CA 1.260 57.227 56.100 -0.222 0.000 0.970 187 R CB -0.220 29.674 30.300 -0.678 0.000 0.864 187 R HN 0.310 nan 8.270 nan 0.000 0.440 188 D N 0.914 121.376 120.400 0.103 0.000 2.092 188 D HA -0.144 4.496 4.640 0.000 0.000 0.193 188 D C 1.974 178.290 176.300 0.026 0.000 0.994 188 D CA 1.166 55.284 54.000 0.197 0.000 0.828 188 D CB -0.179 40.838 40.800 0.361 0.000 0.963 188 D HN 0.143 nan 8.370 nan 0.000 0.450 189 L N 0.341 121.534 121.223 -0.050 0.000 2.046 189 L HA -0.066 4.274 4.340 0.000 0.000 0.208 189 L C 2.585 179.420 176.870 -0.059 0.000 1.077 189 L CA 1.412 56.212 54.840 -0.067 0.000 0.747 189 L CB -0.759 41.160 42.059 -0.233 0.000 0.896 189 L HN 0.089 nan 8.230 nan 0.000 0.432 190 G N -0.162 108.606 108.800 -0.053 0.000 2.418 190 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 190 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 190 G C 1.392 176.284 174.900 -0.013 0.000 1.158 190 G CA 0.617 45.741 45.100 0.040 0.000 0.771 190 G HN 0.304 nan 8.290 nan 0.000 0.545 191 N N 0.207 118.820 118.700 -0.146 0.000 2.331 191 N HA 0.038 4.778 4.740 0.000 0.000 0.180 191 N C 1.008 176.241 175.510 -0.461 0.000 1.019 191 N CA -0.010 52.791 53.050 -0.416 0.000 0.881 191 N CB -0.173 37.703 38.487 -1.018 0.000 0.972 191 N HN 0.250 nan 8.380 nan 0.000 0.435 192 L N 2.898 123.968 121.223 -0.256 0.000 2.525 192 L HA 0.042 4.382 4.340 0.000 0.000 0.278 192 L C -1.885 174.913 176.870 -0.119 0.000 1.218 192 L CA -1.264 53.606 54.840 0.050 0.000 0.878 192 L CB 0.149 42.225 42.059 0.027 0.000 1.127 192 L HN 0.027 nan 8.230 nan 0.000 0.492 193 P HA 0.104 nan 4.420 nan 0.000 0.271 193 P C -2.279 174.887 177.300 -0.223 0.000 1.218 193 P CA -1.576 61.377 63.100 -0.245 0.000 0.780 193 P CB 0.167 31.657 31.700 -0.350 0.000 0.901 194 P HA -0.110 nan 4.420 nan 0.000 0.233 194 P C 0.805 178.026 177.300 -0.131 0.000 1.167 194 P CA 1.036 64.049 63.100 -0.145 0.000 0.770 194 P CB -0.248 31.376 31.700 -0.127 0.000 0.837 195 N N 0.177 118.772 118.700 -0.175 0.000 2.459 195 N HA -0.067 4.673 4.740 0.000 0.000 0.181 195 N C 1.513 176.990 175.510 -0.055 0.000 1.046 195 N CA 0.844 53.831 53.050 -0.105 0.000 0.904 195 N CB -0.859 37.546 38.487 -0.137 0.000 0.964 195 N HN 0.271 nan 8.380 nan 0.000 0.444 196 L N -0.399 120.724 121.223 -0.167 0.000 2.433 196 L HA 0.223 4.564 4.340 0.000 0.000 0.200 196 L C 0.724 177.215 176.870 -0.631 0.000 1.059 196 L CA -0.037 54.619 54.840 -0.307 0.000 0.835 196 L CB 0.110 42.004 42.059 -0.275 0.000 1.076 196 L HN 0.097 nan 8.230 nan 0.000 0.481 197 C N 2.262 121.263 119.300 -0.498 0.000 2.210 197 C HA 0.339 4.799 4.460 0.000 0.000 0.377 197 C C 0.439 175.374 174.990 -0.092 0.000 1.037 197 C CA -0.629 58.136 59.018 -0.421 0.000 1.405 197 C CB -2.221 25.382 27.740 -0.228 0.000 1.802 197 C HN 0.417 nan 8.230 nan 0.000 0.495 198 H N 3.406 122.546 119.070 0.117 0.000 2.771 198 H HA 0.609 5.165 4.556 0.000 0.000 0.344 198 H C -2.496 172.948 175.328 0.192 0.000 1.260 198 H CA -2.466 53.656 56.048 0.124 0.000 1.276 198 H CB -0.346 29.464 29.762 0.080 0.000 1.881 198 H HN -0.010 nan 8.280 nan 0.000 0.615 199 P HA -0.054 nan 4.420 nan 0.000 0.219 199 P C 1.137 178.626 177.300 0.315 0.000 1.150 199 P CA 1.610 64.883 63.100 0.289 0.000 0.814 199 P CB 0.149 31.973 31.700 0.206 0.000 0.787 200 S N -1.169 114.797 115.700 0.445 0.000 2.402 200 S HA -0.133 4.337 4.470 0.000 0.000 0.229 200 S C 1.545 176.353 174.600 0.347 0.000 1.021 200 S CA 0.820 59.232 58.200 0.353 0.000 0.974 200 S CB -1.047 62.316 63.200 0.271 0.000 0.800 200 S HN 0.179 nan 8.310 nan 0.000 0.484 201 F N 2.206 122.253 119.950 0.163 0.000 2.163 201 F HA 0.047 4.574 4.527 0.000 0.000 0.297 201 F C 1.675 177.486 175.800 0.019 0.000 1.094 201 F CA 1.076 59.025 58.000 -0.084 0.000 1.290 201 F CB -0.319 38.398 39.000 -0.470 0.000 1.017 201 F HN 0.069 nan 8.300 nan 0.000 0.483 202 L N 0.280 121.525 121.223 0.037 0.000 2.083 202 L HA -0.169 4.171 4.340 0.000 0.000 0.209 202 L C 2.876 179.795 176.870 0.083 0.000 1.083 202 L CA 1.057 55.907 54.840 0.017 0.000 0.752 202 L CB -1.272 40.930 42.059 0.237 0.000 0.899 202 L HN 0.289 nan 8.230 nan 0.000 0.433 203 A N -0.203 122.679 122.820 0.102 0.000 1.917 203 A HA -0.220 4.100 4.320 0.000 0.000 0.219 203 A C 2.211 179.830 177.584 0.059 0.000 1.182 203 A CA 1.689 53.785 52.037 0.099 0.000 0.633 203 A CB -0.327 18.732 19.000 0.099 0.000 0.819 203 A HN 0.355 nan 8.150 nan 0.000 0.448 204 E N -0.279 119.908 120.200 -0.020 0.000 2.107 204 E HA -0.123 4.227 4.350 0.000 0.000 0.191 204 E C 2.246 178.792 176.600 -0.090 0.000 0.982 204 E CA 0.817 57.188 56.400 -0.048 0.000 0.809 204 E CB -0.362 29.302 29.700 -0.061 0.000 0.756 204 E HN 0.648 nan 8.360 nan 0.000 0.459 205 Q N 0.357 120.026 119.800 -0.219 0.000 2.084 205 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 205 Q C 2.141 178.218 176.000 0.128 0.000 0.978 205 Q CA 1.351 57.058 55.803 -0.160 0.000 0.844 205 Q CB -0.364 28.125 28.738 -0.415 0.000 0.898 205 Q HN 0.219 nan 8.270 nan 0.000 0.426 206 A N 1.589 124.580 122.820 0.286 0.000 1.877 206 A HA -0.212 4.108 4.320 0.000 0.000 0.216 206 A C 2.132 179.822 177.584 0.177 0.000 1.186 206 A CA 1.697 53.933 52.037 0.332 0.000 0.620 206 A CB -0.373 18.775 19.000 0.247 0.000 0.822 206 A HN 0.266 nan 8.150 nan 0.000 0.443 207 K N -0.550 119.918 120.400 0.114 0.000 2.032 207 K HA -0.204 4.116 4.320 0.000 0.000 0.209 207 K C 2.168 178.813 176.600 0.076 0.000 1.048 207 K CA 1.649 57.986 56.287 0.083 0.000 0.927 207 K CB -0.199 32.337 32.500 0.060 0.000 0.712 207 K HN 0.696 nan 8.250 nan 0.000 0.441 208 E N 0.849 121.084 120.200 0.059 0.000 2.085 208 E HA -0.237 4.113 4.350 0.000 0.000 0.194 208 E C 2.021 178.662 176.600 0.068 0.000 0.994 208 E CA 0.979 57.404 56.400 0.042 0.000 0.801 208 E CB 0.004 29.710 29.700 0.010 0.000 0.743 208 E HN 0.094 nan 8.360 nan 0.000 0.453 209 L N 0.382 121.676 121.223 0.118 0.000 2.042 209 L HA -0.070 4.270 4.340 0.000 0.000 0.210 209 L C 2.298 179.305 176.870 0.227 0.000 1.076 209 L CA 2.279 57.230 54.840 0.186 0.000 0.749 209 L CB -0.877 41.325 42.059 0.239 0.000 0.893 209 L HN 0.258 nan 8.230 nan 0.000 0.432 210 G N -1.424 107.476 108.800 0.167 0.000 2.443 210 G HA2 -0.201 3.759 3.960 0.000 0.000 0.219 210 G HA3 -0.201 3.759 3.960 0.000 0.000 0.219 210 G C 1.644 176.612 174.900 0.113 0.000 1.131 210 G CA 0.420 45.610 45.100 0.149 0.000 0.775 210 G HN 0.333 nan 8.290 nan 0.000 0.547 211 K N 0.607 121.055 120.400 0.079 0.000 2.063 211 K HA -0.047 4.273 4.320 0.000 0.000 0.208 211 K C 2.651 179.257 176.600 0.010 0.000 1.048 211 K CA 1.294 57.605 56.287 0.041 0.000 0.928 211 K CB -0.181 32.332 32.500 0.023 0.000 0.713 211 K HN 0.298 nan 8.250 nan 0.000 0.442 212 A N 1.020 123.828 122.820 -0.020 0.000 2.238 212 A HA 0.005 4.325 4.320 0.000 0.000 0.210 212 A C 0.134 177.470 177.584 -0.414 0.000 1.179 212 A CA 0.131 52.044 52.037 -0.207 0.000 0.827 212 A CB -0.024 18.811 19.000 -0.275 0.000 0.856 212 A HN 0.222 nan 8.150 nan 0.000 0.488 213 H N -0.690 118.405 119.070 0.041 0.000 2.609 213 H HA 0.259 4.815 4.556 0.000 0.000 0.344 213 H C 0.003 175.377 175.328 0.078 0.000 1.040 213 H CA -0.609 55.477 56.048 0.063 0.000 1.216 213 H CB 1.613 31.423 29.762 0.079 0.000 1.529 213 H HN 0.161 nan 8.280 nan 0.000 0.519 214 K N 1.855 122.356 120.400 0.169 0.000 2.063 214 K HA -0.098 4.223 4.320 0.000 0.000 0.208 214 K C 1.540 178.208 176.600 0.114 0.000 1.048 214 K CA 1.650 58.004 56.287 0.112 0.000 0.928 214 K CB 0.186 32.737 32.500 0.085 0.000 0.713 214 K HN 0.517 nan 8.250 nan 0.000 0.442 215 A N 0.548 123.462 122.820 0.156 0.000 2.345 215 A HA 0.124 4.444 4.320 0.000 0.000 0.225 215 A C 0.221 177.879 177.584 0.125 0.000 1.243 215 A CA -0.237 51.846 52.037 0.078 0.000 0.875 215 A CB 0.180 19.154 19.000 -0.044 0.000 0.929 215 A HN 0.138 nan 8.150 nan 0.000 0.502 216 L N 0.562 121.908 121.223 0.204 0.000 2.262 216 L HA 0.598 4.938 4.340 0.000 0.000 0.288 216 L C -0.440 176.510 176.870 0.134 0.000 1.035 216 L CA -0.509 54.450 54.840 0.198 0.000 0.820 216 L CB 1.106 43.294 42.059 0.214 0.000 1.204 216 L HN 0.023 nan 8.230 nan 0.000 0.424 217 K N 4.127 124.591 120.400 0.106 0.000 2.206 217 K HA 0.661 4.981 4.320 0.000 0.000 0.264 217 K C -1.659 174.996 176.600 0.091 0.000 0.967 217 K CA -0.502 55.840 56.287 0.092 0.000 0.844 217 K CB 1.593 34.142 32.500 0.080 0.000 1.099 217 K HN 0.354 nan 8.250 nan 0.000 0.441 218 V N 4.060 124.027 119.914 0.088 0.000 2.448 218 V HA 0.460 4.581 4.120 0.000 0.000 0.295 218 V C -0.587 175.556 176.094 0.081 0.000 1.025 218 V CA -0.765 61.584 62.300 0.083 0.000 0.859 218 V CB 1.474 33.349 31.823 0.088 0.000 0.988 218 V HN 0.853 nan 8.190 nan 0.000 0.431 219 E N 3.401 123.652 120.200 0.084 0.000 2.248 219 E HA 0.687 5.037 4.350 0.000 0.000 0.267 219 E C -1.953 174.686 176.600 0.065 0.000 0.877 219 E CA -0.535 55.915 56.400 0.083 0.000 0.759 219 E CB 2.504 32.272 29.700 0.112 0.000 1.182 219 E HN 0.437 nan 8.360 nan 0.000 0.418 220 V N 5.167 125.112 119.914 0.053 0.000 2.409 220 V HA 0.330 4.450 4.120 0.000 0.000 0.291 220 V C -0.686 175.419 176.094 0.018 0.000 1.020 220 V CA -0.743 61.578 62.300 0.035 0.000 0.848 220 V CB 1.276 33.126 31.823 0.044 0.000 0.990 220 V HN 0.587 nan 8.190 nan 0.000 0.430 221 L N 5.793 127.007 121.223 -0.015 0.000 2.264 221 L HA 0.499 4.839 4.340 0.000 0.000 0.289 221 L C 0.285 177.119 176.870 -0.059 0.000 1.044 221 L CA -0.175 54.640 54.840 -0.042 0.000 0.807 221 L CB 1.147 43.150 42.059 -0.094 0.000 1.192 221 L HN 0.787 nan 8.230 nan 0.000 0.425 222 D N 0.808 121.187 120.400 -0.036 0.000 2.478 222 D HA 0.056 4.696 4.640 0.000 0.000 0.269 222 D C 0.938 177.209 176.300 -0.048 0.000 1.232 222 D CA -0.520 53.462 54.000 -0.030 0.000 1.059 222 D CB 0.479 41.280 40.800 0.000 0.000 1.104 222 D HN 0.587 nan 8.370 nan 0.000 0.566 223 E N -0.279 119.912 120.200 -0.014 0.000 2.065 223 E HA -0.333 4.018 4.350 0.000 0.000 0.201 223 E C 1.768 178.428 176.600 0.100 0.000 1.016 223 E CA 1.506 57.933 56.400 0.044 0.000 0.818 223 E CB 0.009 29.747 29.700 0.063 0.000 0.749 223 E HN 0.469 nan 8.360 nan 0.000 0.453 224 K N 0.299 120.734 120.400 0.059 0.000 2.032 224 K HA -0.236 4.084 4.320 0.000 0.000 0.209 224 K C 2.254 178.845 176.600 -0.016 0.000 1.048 224 K CA 1.739 58.040 56.287 0.023 0.000 0.927 224 K CB -0.081 32.428 32.500 0.015 0.000 0.712 224 K HN -0.110 nan 8.250 nan 0.000 0.441 225 K N 1.248 121.638 120.400 -0.017 0.000 2.057 225 K HA -0.062 4.258 4.320 0.000 0.000 0.206 225 K C 1.811 178.384 176.600 -0.045 0.000 1.050 225 K CA 1.232 57.505 56.287 -0.023 0.000 0.935 225 K CB -0.286 32.207 32.500 -0.013 0.000 0.715 225 K HN 0.159 nan 8.250 nan 0.000 0.439 226 I N 1.087 121.602 120.570 -0.091 0.000 2.151 226 I HA -0.362 3.808 4.170 0.000 0.000 0.243 226 I C 2.553 178.631 176.117 -0.065 0.000 1.080 226 I CA 1.704 62.916 61.300 -0.148 0.000 1.339 226 I CB -0.311 37.492 38.000 -0.328 0.000 1.039 226 I HN 0.267 nan 8.210 nan 0.000 0.409 227 K N 0.656 121.015 120.400 -0.067 0.000 2.026 227 K HA -0.233 4.087 4.320 0.000 0.000 0.208 227 K C 1.647 178.162 176.600 -0.141 0.000 1.048 227 K CA 2.035 58.189 56.287 -0.222 0.000 0.929 227 K CB -0.098 32.133 32.500 -0.449 0.000 0.713 227 K HN 0.260 nan 8.250 nan 0.000 0.439 228 D N 0.838 121.186 120.400 -0.087 0.000 2.219 228 D HA -0.116 4.524 4.640 0.000 0.000 0.205 228 D C 1.745 178.033 176.300 -0.019 0.000 0.970 228 D CA 0.785 54.755 54.000 -0.051 0.000 0.851 228 D CB -0.018 40.762 40.800 -0.033 0.000 0.943 228 D HN 0.261 nan 8.370 nan 0.000 0.488 229 L N -0.356 120.868 121.223 0.001 0.000 2.622 229 L HA 0.089 4.429 4.340 0.000 0.000 0.233 229 L C 1.444 178.339 176.870 0.042 0.000 1.156 229 L CA 0.491 55.354 54.840 0.039 0.000 0.866 229 L CB -0.228 41.884 42.059 0.090 0.000 0.980 229 L HN 0.136 nan 8.230 nan 0.000 0.448 230 G N -0.126 108.682 108.800 0.014 0.000 2.136 230 G HA2 -0.313 3.647 3.960 0.000 0.000 0.242 230 G HA3 -0.313 3.647 3.960 0.000 0.000 0.242 230 G C 0.376 175.314 174.900 0.063 0.000 0.989 230 G CA -0.147 44.968 45.100 0.024 0.000 0.682 230 G HN 0.301 nan 8.290 nan 0.000 0.522 231 M N 2.033 121.680 119.600 0.077 0.000 3.596 231 M HA 0.314 4.795 4.480 0.000 0.000 0.212 231 M C 1.964 178.367 176.300 0.172 0.000 1.519 231 M CA 0.577 55.963 55.300 0.143 0.000 1.670 231 M CB 0.030 32.724 32.600 0.155 0.000 1.113 231 M HN 0.247 nan 8.290 nan 0.000 0.565 232 G N 0.752 109.637 108.800 0.142 0.000 2.418 232 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 232 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 232 G C 1.545 176.570 174.900 0.209 0.000 1.158 232 G CA 1.059 46.250 45.100 0.152 0.000 0.771 232 G HN 0.673 nan 8.290 nan 0.000 0.545 233 A N 0.360 123.293 122.820 0.189 0.000 1.873 233 A HA 0.091 4.411 4.320 0.000 0.000 0.215 233 A C 2.217 179.925 177.584 0.205 0.000 1.186 233 A CA 1.398 53.533 52.037 0.164 0.000 0.616 233 A CB -0.638 18.430 19.000 0.115 0.000 0.823 233 A HN 0.398 nan 8.150 nan 0.000 0.442 234 F N -1.485 118.504 119.950 0.065 0.000 2.095 234 F HA -0.251 4.276 4.527 0.000 0.000 0.298 234 F C 2.277 178.122 175.800 0.075 0.000 1.104 234 F CA 1.869 59.900 58.000 0.051 0.000 1.232 234 F CB -0.204 38.827 39.000 0.052 0.000 0.987 234 F HN 0.388 nan 8.300 nan 0.000 0.475 235 Y N 0.772 121.220 120.300 0.247 0.000 2.181 235 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 235 Y C 2.324 178.289 175.900 0.109 0.000 1.146 235 Y CA 1.426 59.592 58.100 0.110 0.000 1.164 235 Y CB -0.806 37.679 38.460 0.041 0.000 0.982 235 Y HN 0.105 nan 8.280 nan 0.000 0.515 236 A N -0.781 122.174 122.820 0.225 0.000 1.908 236 A HA -0.187 4.134 4.320 0.000 0.000 0.218 236 A C 2.324 179.923 177.584 0.025 0.000 1.181 236 A CA 2.102 54.210 52.037 0.119 0.000 0.627 236 A CB -1.318 17.761 19.000 0.132 0.000 0.818 236 A HN 0.331 nan 8.150 nan 0.000 0.445 237 V N -0.340 119.601 119.914 0.045 0.000 2.358 237 V HA -0.151 3.969 4.120 0.000 0.000 0.246 237 V C 2.730 178.816 176.094 -0.013 0.000 1.047 237 V CA 1.977 64.283 62.300 0.010 0.000 1.035 237 V CB -1.262 30.562 31.823 0.002 0.000 0.658 237 V HN 0.618 nan 8.190 nan 0.000 0.452 238 G N -0.092 108.697 108.800 -0.018 0.000 2.511 238 G HA2 -0.203 3.758 3.960 0.000 0.000 0.217 238 G HA3 -0.203 3.758 3.960 0.000 0.000 0.217 238 G C 1.432 176.230 174.900 -0.171 0.000 1.133 238 G CA 0.682 45.742 45.100 -0.066 0.000 0.792 238 G HN 0.687 nan 8.290 nan 0.000 0.539 239 Q N -0.115 119.520 119.800 -0.274 0.000 2.224 239 Q HA 0.099 4.439 4.340 0.000 0.000 0.203 239 Q C 2.312 178.237 176.000 -0.126 0.000 0.970 239 Q CA 1.231 56.856 55.803 -0.296 0.000 0.865 239 Q CB -0.505 28.032 28.738 -0.334 0.000 0.922 239 Q HN 0.226 nan 8.270 nan 0.000 0.445 240 G N 0.835 109.589 108.800 -0.077 0.000 2.559 240 G HA2 -0.114 3.846 3.960 0.000 0.000 0.216 240 G HA3 -0.114 3.846 3.960 0.000 0.000 0.216 240 G C 0.427 175.308 174.900 -0.032 0.000 1.126 240 G CA 0.355 45.432 45.100 -0.039 0.000 0.778 240 G HN 0.330 nan 8.290 nan 0.000 0.543 241 S N -0.586 115.090 115.700 -0.041 0.000 2.617 241 S HA 0.325 4.795 4.470 0.000 0.000 0.283 241 S C 0.782 175.358 174.600 -0.039 0.000 1.189 241 S CA -0.622 57.561 58.200 -0.029 0.000 1.036 241 S CB 1.244 64.435 63.200 -0.015 0.000 1.014 241 S HN 0.081 nan 8.310 nan 0.000 0.522 242 D N 1.262 121.640 120.400 -0.037 0.000 2.264 242 D HA 0.019 4.659 4.640 0.000 0.000 0.208 242 D C 0.184 176.446 176.300 -0.065 0.000 0.966 242 D CA 1.062 55.035 54.000 -0.046 0.000 0.864 242 D CB 0.114 40.886 40.800 -0.046 0.000 0.933 242 D HN 0.430 nan 8.370 nan 0.000 0.499 243 Q N 1.569 121.328 119.800 -0.068 0.000 2.349 243 Q HA 0.243 4.583 4.340 0.000 0.000 0.254 243 Q C -2.192 173.778 176.000 -0.051 0.000 0.980 243 Q CA -1.762 53.983 55.803 -0.097 0.000 0.924 243 Q CB 1.459 30.135 28.738 -0.104 0.000 1.209 243 Q HN 0.205 nan 8.270 nan 0.000 0.445 244 P HA 0.296 nan 4.420 nan 0.000 0.276 244 P C -2.553 174.750 177.300 0.005 0.000 1.252 244 P CA -1.478 61.603 63.100 -0.032 0.000 0.802 244 P CB 0.290 31.975 31.700 -0.026 0.000 1.035 245 P HA 0.328 nan 4.420 nan 0.000 0.278 245 P C -0.522 176.791 177.300 0.022 0.000 1.266 245 P CA -0.188 62.949 63.100 0.062 0.000 0.807 245 P CB 0.920 32.666 31.700 0.077 0.000 1.094 246 R N 0.509 121.056 120.500 0.079 0.000 2.584 246 R HA 0.461 4.801 4.340 0.000 0.000 0.276 246 R C -1.120 175.233 176.300 0.088 0.000 1.046 246 R CA -0.979 55.143 56.100 0.037 0.000 0.906 246 R CB 1.508 31.860 30.300 0.086 0.000 1.215 246 R HN 0.430 nan 8.270 nan 0.000 0.449 247 L N 3.972 125.176 121.223 -0.032 0.000 2.280 247 L HA 0.562 4.902 4.340 0.000 0.000 0.287 247 L C -0.803 176.059 176.870 -0.013 0.000 1.023 247 L CA -0.167 54.684 54.840 0.019 0.000 0.819 247 L CB 0.822 42.809 42.059 -0.120 0.000 1.212 247 L HN 0.558 nan 8.230 nan 0.000 0.420 248 I N 5.933 126.512 120.570 0.015 0.000 2.354 248 I HA 0.391 4.561 4.170 0.000 0.000 0.292 248 I C -0.710 175.394 176.117 -0.023 0.000 0.989 248 I CA -0.887 60.413 61.300 -0.000 0.000 1.188 248 I CB 1.784 39.786 38.000 0.004 0.000 1.342 248 I HN 0.258 nan 8.210 nan 0.000 0.457 249 V N 7.526 127.446 119.914 0.010 0.000 2.347 249 V HA 0.354 4.474 4.120 0.000 0.000 0.280 249 V C -0.358 175.748 176.094 0.020 0.000 1.021 249 V CA -0.538 61.784 62.300 0.036 0.000 0.847 249 V CB 1.331 33.245 31.823 0.153 0.000 0.990 249 V HN 0.366 nan 8.190 nan 0.000 0.444 250 L N 4.797 126.003 121.223 -0.030 0.000 2.318 250 L HA 0.498 4.838 4.340 0.000 0.000 0.277 250 L C 0.096 176.963 176.870 -0.005 0.000 1.008 250 L CA -0.173 54.660 54.840 -0.011 0.000 0.846 250 L CB 1.118 43.148 42.059 -0.049 0.000 1.220 250 L HN 0.496 nan 8.230 nan 0.000 0.423 251 N N 2.623 121.344 118.700 0.036 0.000 2.527 251 N HA 0.100 4.840 4.740 0.000 0.000 0.236 251 N C -1.481 174.089 175.510 0.100 0.000 0.999 251 N CA -0.356 52.713 53.050 0.031 0.000 0.935 251 N CB 0.563 39.079 38.487 0.047 0.000 1.132 251 N HN 0.435 nan 8.380 nan 0.000 0.511 252 Y N 3.392 123.680 120.300 -0.019 0.000 2.385 252 Y HA 0.306 4.856 4.550 0.000 0.000 0.341 252 Y C -0.480 175.430 175.900 0.016 0.000 0.965 252 Y CA -0.565 57.535 58.100 0.000 0.000 1.180 252 Y CB 0.724 39.177 38.460 -0.013 0.000 1.139 252 Y HN 0.313 nan 8.280 nan 0.000 0.502 253 Q N 5.409 124.947 119.800 -0.437 0.000 2.569 253 Q HA 0.303 4.643 4.340 0.000 0.000 0.226 253 Q C 0.476 176.140 176.000 -0.561 0.000 1.136 253 Q CA 0.126 55.710 55.803 -0.365 0.000 0.947 253 Q CB 1.306 29.952 28.738 -0.152 0.000 1.218 253 Q HN 1.106 nan 8.270 nan 0.000 0.547 254 G N 0.623 109.013 108.800 -0.682 0.000 2.944 254 G HA2 0.216 4.176 3.960 0.000 0.000 0.220 254 G HA3 0.216 4.176 3.960 0.000 0.000 0.220 254 G C 0.589 175.391 174.900 -0.163 0.000 1.100 254 G CA 0.356 45.135 45.100 -0.536 0.000 0.780 254 G HN 0.523 nan 8.290 nan 0.000 0.539 255 G N 0.016 108.752 108.800 -0.107 0.000 2.671 255 G HA2 0.510 4.470 3.960 0.000 0.000 0.275 255 G HA3 0.510 4.470 3.960 0.000 0.000 0.275 255 G C -0.404 174.479 174.900 -0.029 0.000 1.368 255 G CA -0.787 44.298 45.100 -0.025 0.000 1.044 255 G HN 0.180 nan 8.290 nan 0.000 0.543 256 K N -0.201 120.194 120.400 -0.007 0.000 2.258 256 K HA 0.125 4.445 4.320 0.000 0.000 0.264 256 K C 1.190 177.784 176.600 -0.010 0.000 1.007 256 K CA -0.310 55.972 56.287 -0.008 0.000 0.941 256 K CB 1.497 33.997 32.500 0.000 0.000 0.966 256 K HN 0.508 nan 8.250 nan 0.000 0.480 257 K N 1.312 121.707 120.400 -0.008 0.000 2.280 257 K HA -0.144 4.176 4.320 0.000 0.000 0.202 257 K C 1.281 177.882 176.600 0.001 0.000 1.047 257 K CA 1.467 57.751 56.287 -0.005 0.000 0.942 257 K CB 0.060 32.559 32.500 -0.001 0.000 0.739 257 K HN 0.662 nan 8.250 nan 0.000 0.457 258 A N 0.620 123.440 122.820 -0.001 0.000 2.308 258 A HA 0.072 4.392 4.320 0.000 0.000 0.217 258 A C -0.420 177.160 177.584 -0.006 0.000 1.216 258 A CA -0.176 51.861 52.037 -0.001 0.000 0.864 258 A CB 0.149 19.149 19.000 -0.000 0.000 0.902 258 A HN 0.200 nan 8.150 nan 0.000 0.499 259 D N 2.101 122.497 120.400 -0.007 0.000 2.417 259 D HA 0.159 4.799 4.640 0.000 0.000 0.250 259 D C -0.013 176.264 176.300 -0.039 0.000 1.166 259 D CA 0.467 54.456 54.000 -0.018 0.000 0.881 259 D CB 0.698 41.499 40.800 0.001 0.000 1.164 259 D HN 0.265 nan 8.370 nan 0.000 0.467 260 K N 3.934 124.287 120.400 -0.078 0.000 2.382 260 K HA 0.180 4.500 4.320 0.000 0.000 0.275 260 K C -2.083 174.401 176.600 -0.193 0.000 1.009 260 K CA -1.164 55.061 56.287 -0.104 0.000 0.970 260 K CB 0.377 32.812 32.500 -0.108 0.000 0.934 260 K HN 0.301 nan 8.250 nan 0.000 0.479 261 P HA 0.133 nan 4.420 nan 0.000 0.276 261 P C -0.857 176.299 177.300 -0.240 0.000 1.252 261 P CA -0.234 62.803 63.100 -0.105 0.000 0.802 261 P CB 0.455 32.143 31.700 -0.019 0.000 1.035 262 F N -0.183 119.786 119.950 0.033 0.000 2.408 262 F HA 0.318 4.845 4.527 0.000 0.000 0.344 262 F C 0.503 176.305 175.800 0.002 0.000 1.112 262 F CA -0.551 57.484 58.000 0.057 0.000 1.096 262 F CB 1.308 40.378 39.000 0.118 0.000 1.129 262 F HN -0.072 nan 8.300 nan 0.000 0.486 263 V N 5.202 125.192 119.914 0.127 0.000 2.409 263 V HA 0.376 4.497 4.120 0.000 0.000 0.291 263 V C -0.242 175.878 176.094 0.042 0.000 1.020 263 V CA -0.792 61.518 62.300 0.017 0.000 0.848 263 V CB 1.614 33.402 31.823 -0.059 0.000 0.990 263 V HN 0.529 nan 8.190 nan 0.000 0.430 264 L N 5.568 126.805 121.223 0.022 0.000 2.282 264 L HA 0.625 4.965 4.340 0.000 0.000 0.288 264 L C -0.602 176.273 176.870 0.009 0.000 1.033 264 L CA -0.722 54.127 54.840 0.015 0.000 0.807 264 L CB 1.780 43.839 42.059 0.000 0.000 1.209 264 L HN 0.334 nan 8.230 nan 0.000 0.423 265 V N 2.223 122.161 119.914 0.040 0.000 2.384 265 V HA 0.610 4.730 4.120 0.000 0.000 0.287 265 V C 0.486 176.603 176.094 0.038 0.000 1.020 265 V CA -0.453 61.879 62.300 0.053 0.000 0.850 265 V CB 1.557 33.447 31.823 0.113 0.000 0.987 265 V HN 0.883 nan 8.190 nan 0.000 0.436 266 G N 3.121 111.925 108.800 0.006 0.000 2.470 266 G HA2 0.467 4.427 3.960 0.000 0.000 0.320 266 G HA3 0.467 4.427 3.960 0.000 0.000 0.320 266 G C -0.614 174.284 174.900 -0.005 0.000 1.245 266 G CA -0.716 44.385 45.100 0.002 0.000 0.935 266 G HN 0.627 nan 8.290 nan 0.000 0.476 267 K N 1.612 122.014 120.400 0.004 0.000 2.402 267 K HA 0.268 4.588 4.320 0.000 0.000 0.285 267 K C 0.683 177.278 176.600 -0.008 0.000 1.054 267 K CA 0.012 56.285 56.287 -0.022 0.000 1.001 267 K CB 0.323 32.820 32.500 -0.005 0.000 0.946 267 K HN 0.462 nan 8.250 nan 0.000 0.473 268 G N 6.278 115.068 108.800 -0.017 0.000 4.873 268 G HA2 0.219 4.179 3.960 0.000 0.000 0.314 268 G HA3 0.219 4.179 3.960 0.000 0.000 0.314 268 G C -0.155 174.757 174.900 0.019 0.000 1.426 268 G CA -0.481 44.634 45.100 0.025 0.000 1.136 268 G HN 0.527 nan 8.290 nan 0.000 0.589 269 I N 3.067 123.626 120.570 -0.018 0.000 2.329 269 I HA 0.057 4.228 4.170 0.000 0.000 0.295 269 I C 1.890 177.995 176.117 -0.021 0.000 1.109 269 I CA 0.137 61.421 61.300 -0.027 0.000 1.297 269 I CB 0.160 38.116 38.000 -0.072 0.000 1.433 269 I HN 0.319 nan 8.210 nan 0.000 0.509 270 T N 2.996 117.573 114.554 0.039 0.000 2.951 270 T HA -0.023 4.327 4.350 0.000 0.000 0.268 270 T C 0.309 175.079 174.700 0.117 0.000 1.073 270 T CA 0.696 62.835 62.100 0.065 0.000 1.134 270 T CB 0.059 68.999 68.868 0.119 0.000 0.884 270 T HN 0.270 nan 8.240 nan 0.000 0.479 271 F N 0.831 120.743 119.950 -0.063 0.000 2.596 271 F HA 0.515 5.042 4.527 0.000 0.000 0.311 271 F C -2.112 173.645 175.800 -0.072 0.000 1.116 271 F CA -1.748 56.197 58.000 -0.093 0.000 0.957 271 F CB 2.190 41.135 39.000 -0.093 0.000 1.250 271 F HN -0.131 nan 8.300 nan 0.000 0.444 272 D N 2.483 122.314 120.400 -0.947 0.000 2.461 272 D HA 0.215 4.855 4.640 0.000 0.000 0.240 272 D C 0.776 176.746 176.300 -0.551 0.000 1.094 272 D CA 0.047 53.716 54.000 -0.552 0.000 0.868 272 D CB 1.333 41.903 40.800 -0.382 0.000 1.062 272 D HN 0.594 nan 8.370 nan 0.000 0.530 273 T N 0.417 114.872 114.554 -0.166 0.000 3.088 273 T HA 0.241 4.591 4.350 0.000 0.000 0.259 273 T C 1.591 176.270 174.700 -0.036 0.000 1.122 273 T CA 0.715 62.817 62.100 0.004 0.000 1.095 273 T CB 0.084 69.030 68.868 0.130 0.000 0.930 273 T HN 0.537 nan 8.240 nan 0.000 0.508 274 G N 0.694 109.452 108.800 -0.071 0.000 2.253 274 G HA2 0.086 4.047 3.960 0.000 0.000 0.251 274 G HA3 0.086 4.047 3.960 0.000 0.000 0.251 274 G C 1.249 176.132 174.900 -0.028 0.000 0.998 274 G CA 0.425 45.495 45.100 -0.050 0.000 0.621 274 G HN 1.716 nan 8.290 nan 0.000 0.524 275 G N 0.388 109.181 108.800 -0.011 0.000 2.547 275 G HA2 -0.227 3.733 3.960 0.000 0.000 0.271 275 G HA3 -0.227 3.733 3.960 0.000 0.000 0.271 275 G C 1.015 175.915 174.900 0.001 0.000 1.209 275 G CA 0.729 45.828 45.100 -0.002 0.000 0.959 275 G HN 0.980 nan 8.290 nan 0.000 0.563 276 I N 1.411 121.981 120.570 -0.000 0.000 2.286 276 I HA -0.072 4.099 4.170 0.000 0.000 0.248 276 I C 2.121 178.239 176.117 0.001 0.000 1.115 276 I CA 2.003 63.304 61.300 0.002 0.000 1.392 276 I CB -1.326 36.676 38.000 0.003 0.000 1.065 276 I HN 0.320 nan 8.210 nan 0.000 0.418 277 S N 2.744 118.442 115.700 -0.003 0.000 4.175 277 S HA 0.144 4.615 4.470 0.000 0.000 0.193 277 S C 0.266 174.862 174.600 -0.006 0.000 1.373 277 S CA -0.359 57.838 58.200 -0.005 0.000 0.908 277 S CB -0.936 62.258 63.200 -0.010 0.000 1.547 277 S HN 0.127 nan 8.310 nan 0.000 0.440 278 L N 2.833 124.056 121.223 -0.000 0.000 2.525 278 L HA 0.095 4.435 4.340 0.000 0.000 0.278 278 L C 0.474 177.345 176.870 0.001 0.000 1.218 278 L CA 0.593 55.435 54.840 0.004 0.000 0.878 278 L CB 0.308 42.374 42.059 0.011 0.000 1.127 278 L HN 0.297 nan 8.230 nan 0.000 0.492 279 K N 6.217 126.617 120.400 -0.001 0.000 2.319 279 K HA 0.144 4.464 4.320 0.000 0.000 0.265 279 K C -1.396 175.211 176.600 0.011 0.000 1.000 279 K CA -0.938 55.348 56.287 -0.002 0.000 0.943 279 K CB 0.072 32.562 32.500 -0.016 0.000 0.950 279 K HN 0.541 nan 8.250 nan 0.000 0.485 280 P HA -0.117 nan 4.420 nan 0.000 0.225 280 P C 0.771 178.085 177.300 0.023 0.000 1.148 280 P CA 1.435 64.545 63.100 0.016 0.000 0.779 280 P CB 0.276 31.985 31.700 0.014 0.000 0.780 281 G N -0.349 108.469 108.800 0.031 0.000 2.611 281 G HA2 -0.208 3.752 3.960 0.000 0.000 0.208 281 G HA3 -0.208 3.752 3.960 0.000 0.000 0.208 281 G C 0.452 175.374 174.900 0.037 0.000 1.201 281 G CA -0.062 45.060 45.100 0.037 0.000 0.739 281 G HN 0.663 nan 8.290 nan 0.000 0.528 282 A N 0.947 123.785 122.820 0.031 0.000 2.524 282 A HA 0.589 4.909 4.320 0.000 0.000 0.250 282 A C 2.116 179.728 177.584 0.046 0.000 1.078 282 A CA 2.110 54.167 52.037 0.034 0.000 0.761 282 A CB -0.403 18.613 19.000 0.028 0.000 1.012 282 A HN 2.620 nan 8.150 nan 0.000 0.500 283 G N 2.002 110.835 108.800 0.055 0.000 2.184 283 G HA2 -0.337 3.623 3.960 0.000 0.000 0.264 283 G HA3 -0.337 3.623 3.960 0.000 0.000 0.264 283 G C 0.966 175.911 174.900 0.076 0.000 0.975 283 G CA 0.715 45.860 45.100 0.076 0.000 0.642 283 G HN 0.815 nan 8.290 nan 0.000 0.536 284 M N 1.027 120.669 119.600 0.071 0.000 2.358 284 M HA -0.085 4.395 4.480 0.000 0.000 0.264 284 M C 2.454 178.851 176.300 0.162 0.000 1.064 284 M CA 2.522 57.878 55.300 0.092 0.000 1.093 284 M CB -0.343 32.332 32.600 0.125 0.000 1.401 284 M HN 0.484 nan 8.290 nan 0.000 0.440 285 D N -0.071 120.401 120.400 0.120 0.000 2.190 285 D HA -0.254 4.386 4.640 0.000 0.000 0.200 285 D C 1.187 177.488 176.300 0.002 0.000 0.992 285 D CA 1.592 55.645 54.000 0.090 0.000 0.854 285 D CB -0.882 39.923 40.800 0.009 0.000 0.936 285 D HN 0.513 nan 8.370 nan 0.000 0.462 286 E N -0.848 119.331 120.200 -0.034 0.000 2.409 286 E HA -0.040 4.310 4.350 0.000 0.000 0.198 286 E C 1.563 177.889 176.600 -0.457 0.000 1.024 286 E CA 0.281 56.576 56.400 -0.174 0.000 0.861 286 E CB -0.089 29.654 29.700 0.073 0.000 0.788 286 E HN 0.250 nan 8.360 nan 0.000 0.521 287 M N 0.810 120.193 119.600 -0.362 0.000 2.686 287 M HA -0.076 4.404 4.480 0.000 0.000 0.246 287 M C 1.827 177.759 176.300 -0.613 0.000 1.096 287 M CA 1.024 55.958 55.300 -0.611 0.000 1.076 287 M CB -0.508 31.543 32.600 -0.915 0.000 1.504 287 M HN 0.073 nan 8.290 nan 0.000 0.524 288 K N -0.658 119.538 120.400 -0.339 0.000 2.362 288 K HA -0.148 4.172 4.320 0.000 0.000 0.200 288 K C 0.751 177.041 176.600 -0.516 0.000 1.046 288 K CA 1.206 57.327 56.287 -0.276 0.000 0.952 288 K CB -0.413 31.876 32.500 -0.352 0.000 0.753 288 K HN 0.212 nan 8.250 nan 0.000 0.466 289 Y N 1.458 121.459 120.300 -0.499 0.000 2.502 289 Y HA 0.057 4.607 4.550 0.001 0.000 0.295 289 Y C 0.948 176.612 175.900 -0.393 0.000 1.193 289 Y CA -0.097 57.661 58.100 -0.570 0.000 1.295 289 Y CB -0.150 37.616 38.460 -1.157 0.000 1.059 289 Y HN 0.162 nan 8.280 nan 0.000 0.514 290 D N 0.212 120.469 120.400 -0.237 0.000 2.363 290 D HA -0.043 4.597 4.640 0.000 0.000 0.226 290 D C 1.151 177.422 176.300 -0.049 0.000 1.020 290 D CA 0.560 54.487 54.000 -0.121 0.000 0.892 290 D CB 0.035 40.721 40.800 -0.190 0.000 0.900 290 D HN 0.323 nan 8.370 nan 0.000 0.531 291 M N -2.394 117.187 119.600 -0.032 0.000 2.475 291 M HA 0.297 4.777 4.480 0.000 0.000 0.283 291 M C 1.267 177.594 176.300 0.045 0.000 1.165 291 M CA -0.272 55.038 55.300 0.016 0.000 0.976 291 M CB -0.651 31.969 32.600 0.033 0.000 1.428 291 M HN -0.180 nan 8.290 nan 0.000 0.495 292 C N 1.216 120.555 119.300 0.065 0.000 2.419 292 C HA 0.046 4.506 4.460 0.000 0.000 0.281 292 C C 2.764 177.790 174.990 0.061 0.000 1.336 292 C CA 1.399 60.468 59.018 0.085 0.000 1.770 292 C CB -1.545 26.286 27.740 0.151 0.000 1.929 292 C HN 0.847 nan 8.230 nan 0.000 0.509 293 G N 0.459 109.291 108.800 0.054 0.000 2.414 293 G HA2 -0.052 3.908 3.960 0.000 0.000 0.215 293 G HA3 -0.052 3.908 3.960 0.000 0.000 0.215 293 G C 1.914 176.830 174.900 0.027 0.000 1.188 293 G CA 0.966 46.087 45.100 0.035 0.000 0.783 293 G HN 0.581 nan 8.290 nan 0.000 0.537 294 A N 1.191 124.031 122.820 0.033 0.000 1.940 294 A HA 0.169 4.489 4.320 0.000 0.000 0.219 294 A C 2.800 180.444 177.584 0.100 0.000 1.176 294 A CA 2.447 54.505 52.037 0.035 0.000 0.631 294 A CB -0.789 18.249 19.000 0.063 0.000 0.814 294 A HN 0.846 nan 8.150 nan 0.000 0.446 295 A N 0.186 123.067 122.820 0.102 0.000 1.933 295 A HA -0.079 4.241 4.320 0.000 0.000 0.218 295 A C 2.490 180.109 177.584 0.058 0.000 1.175 295 A CA 2.283 54.367 52.037 0.078 0.000 0.628 295 A CB -0.895 18.104 19.000 -0.002 0.000 0.814 295 A HN 1.050 nan 8.150 nan 0.000 0.444 296 S N -0.721 115.002 115.700 0.039 0.000 2.453 296 S HA -0.038 4.432 4.470 0.000 0.000 0.231 296 S C 1.651 176.272 174.600 0.035 0.000 1.005 296 S CA 1.158 59.374 58.200 0.027 0.000 0.949 296 S CB -0.493 62.712 63.200 0.008 0.000 0.774 296 S HN 0.213 nan 8.310 nan 0.000 0.510 297 V N 0.758 120.685 119.914 0.022 0.000 2.407 297 V HA 0.006 4.126 4.120 0.000 0.000 0.245 297 V C 2.108 178.207 176.094 0.008 0.000 1.041 297 V CA 1.522 63.811 62.300 -0.018 0.000 1.040 297 V CB -1.013 30.759 31.823 -0.084 0.000 0.671 297 V HN 0.450 nan 8.190 nan 0.000 0.455 298 F N 1.412 121.357 119.950 -0.009 0.000 2.091 298 F HA -0.209 4.318 4.527 0.000 0.000 0.299 298 F C 2.449 178.359 175.800 0.184 0.000 1.103 298 F CA 1.807 59.844 58.000 0.062 0.000 1.228 298 F CB -0.802 38.082 39.000 -0.193 0.000 0.984 298 F HN 0.249 nan 8.300 nan 0.000 0.477 299 G N -1.145 107.838 108.800 0.305 0.000 2.421 299 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 299 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 299 G C 1.613 176.611 174.900 0.162 0.000 1.171 299 G CA 1.423 46.684 45.100 0.269 0.000 0.775 299 G HN 0.292 nan 8.290 nan 0.000 0.543 300 T N 1.281 115.888 114.554 0.089 0.000 2.708 300 T HA -0.139 4.211 4.350 0.000 0.000 0.266 300 T C 2.245 176.940 174.700 -0.009 0.000 1.037 300 T CA 1.208 63.324 62.100 0.027 0.000 1.146 300 T CB -0.320 68.552 68.868 0.006 0.000 0.865 300 T HN 0.130 nan 8.240 nan 0.000 0.435 301 L N 1.727 122.947 121.223 -0.004 0.000 1.990 301 L HA -0.111 4.229 4.340 0.000 0.000 0.213 301 L C 2.504 179.301 176.870 -0.122 0.000 1.072 301 L CA 1.973 56.765 54.840 -0.081 0.000 0.755 301 L CB -0.723 41.310 42.059 -0.043 0.000 0.889 301 L HN 0.068 nan 8.230 nan 0.000 0.432 302 R N -0.104 120.401 120.500 0.009 0.000 2.096 302 R HA -0.193 4.147 4.340 0.000 0.000 0.240 302 R C 2.183 178.440 176.300 -0.071 0.000 1.139 302 R CA 1.942 58.017 56.100 -0.042 0.000 0.952 302 R CB -0.889 29.454 30.300 0.071 0.000 0.854 302 R HN 0.548 nan 8.270 nan 0.000 0.436 303 A N 0.123 122.930 122.820 -0.023 0.000 1.908 303 A HA -0.164 4.156 4.320 0.000 0.000 0.218 303 A C 2.317 179.848 177.584 -0.090 0.000 1.181 303 A CA 2.077 54.094 52.037 -0.033 0.000 0.627 303 A CB -1.005 17.991 19.000 -0.007 0.000 0.818 303 A HN 0.394 nan 8.150 nan 0.000 0.445 304 V N -2.357 117.458 119.914 -0.165 0.000 2.667 304 V HA -0.086 4.035 4.120 0.000 0.000 0.252 304 V C 2.188 178.091 176.094 -0.319 0.000 1.065 304 V CA 1.682 63.842 62.300 -0.233 0.000 1.083 304 V CB -0.842 30.816 31.823 -0.275 0.000 0.692 304 V HN 0.430 nan 8.190 nan 0.000 0.468 305 L N 0.350 121.345 121.223 -0.380 0.000 2.072 305 L HA -0.080 4.260 4.340 0.000 0.000 0.205 305 L C 2.841 179.650 176.870 -0.102 0.000 1.079 305 L CA 2.172 56.808 54.840 -0.340 0.000 0.752 305 L CB -0.604 41.139 42.059 -0.527 0.000 0.906 305 L HN 0.423 nan 8.230 nan 0.000 0.436 306 E N 0.569 120.728 120.200 -0.068 0.000 2.153 306 E HA -0.198 4.152 4.350 0.000 0.000 0.194 306 E C 2.141 178.761 176.600 0.033 0.000 0.988 306 E CA 0.948 57.355 56.400 0.012 0.000 0.811 306 E CB 0.098 29.809 29.700 0.018 0.000 0.746 306 E HN 0.487 nan 8.360 nan 0.000 0.466 307 L N -0.069 121.164 121.223 0.016 0.000 2.477 307 L HA 0.084 4.424 4.340 0.000 0.000 0.220 307 L C 0.612 177.522 176.870 0.067 0.000 1.106 307 L CA 0.144 55.017 54.840 0.056 0.000 0.851 307 L CB 0.134 42.219 42.059 0.044 0.000 0.994 307 L HN 0.095 nan 8.230 nan 0.000 0.462 308 Q N 0.654 120.492 119.800 0.064 0.000 2.451 308 Q HA -0.213 4.127 4.340 0.000 0.000 0.305 308 Q C -0.471 175.625 176.000 0.160 0.000 1.345 308 Q CA -0.018 55.874 55.803 0.148 0.000 0.854 308 Q CB -1.366 27.453 28.738 0.136 0.000 1.162 308 Q HN 0.182 nan 8.270 nan 0.000 0.440 309 L N 1.949 123.248 121.223 0.126 0.000 2.640 309 L HA -0.025 4.316 4.340 0.000 0.000 0.280 309 L C -1.353 175.631 176.870 0.189 0.000 1.229 309 L CA -0.092 54.817 54.840 0.115 0.000 0.919 309 L CB 0.130 42.216 42.059 0.046 0.000 1.168 309 L HN 0.086 nan 8.230 nan 0.000 0.496 310 P HA 0.114 nan 4.420 nan 0.000 0.226 310 P C -0.909 176.442 177.300 0.085 0.000 1.783 310 P CA 0.052 63.199 63.100 0.078 0.000 0.980 310 P CB -0.119 31.610 31.700 0.048 0.000 1.967 311 V N -0.852 119.145 119.914 0.139 0.000 3.078 311 V HA 0.534 4.654 4.120 0.000 0.000 0.311 311 V C -0.491 175.696 176.094 0.155 0.000 1.138 311 V CA -1.480 60.928 62.300 0.179 0.000 1.007 311 V CB 2.178 34.116 31.823 0.191 0.000 1.045 311 V HN 0.015 nan 8.190 nan 0.000 0.432 312 N N 1.874 120.673 118.700 0.165 0.000 2.479 312 N HA 0.702 5.442 4.740 0.000 0.000 0.285 312 N C -1.157 174.496 175.510 0.239 0.000 1.075 312 N CA -0.462 52.653 53.050 0.109 0.000 0.967 312 N CB 1.779 40.286 38.487 0.035 0.000 1.137 312 N HN 0.719 nan 8.380 nan 0.000 0.472 313 L N 2.784 124.136 121.223 0.215 0.000 2.482 313 L HA 0.462 4.802 4.340 0.000 0.000 0.269 313 L C -1.620 175.291 176.870 0.067 0.000 0.967 313 L CA -0.680 54.283 54.840 0.205 0.000 0.851 313 L CB 1.685 43.896 42.059 0.254 0.000 1.242 313 L HN 0.266 nan 8.230 nan 0.000 0.404 314 V N 4.159 124.040 119.914 -0.055 0.000 2.384 314 V HA 0.440 4.560 4.120 0.000 0.000 0.287 314 V C -0.346 175.655 176.094 -0.154 0.000 1.020 314 V CA -0.517 61.650 62.300 -0.223 0.000 0.850 314 V CB 1.417 32.848 31.823 -0.653 0.000 0.987 314 V HN 0.859 nan 8.190 nan 0.000 0.436 315 C N 6.648 125.874 119.300 -0.123 0.000 2.273 315 C HA 0.648 5.108 4.460 0.000 0.000 0.328 315 C C 0.105 175.033 174.990 -0.103 0.000 1.275 315 C CA -0.785 58.168 59.018 -0.109 0.000 1.704 315 C CB -0.195 27.465 27.740 -0.134 0.000 2.326 315 C HN 0.722 nan 8.230 nan 0.000 0.517 316 L N 4.845 126.031 121.223 -0.062 0.000 2.319 316 L HA 0.540 4.880 4.340 0.000 0.000 0.281 316 L C -0.570 176.283 176.870 -0.028 0.000 1.005 316 L CA -0.257 54.573 54.840 -0.016 0.000 0.828 316 L CB 0.671 42.773 42.059 0.071 0.000 1.227 316 L HN 0.515 nan 8.230 nan 0.000 0.415 317 L N 3.747 124.944 121.223 -0.043 0.000 2.276 317 L HA 0.609 4.949 4.340 0.000 0.000 0.286 317 L C 0.346 177.252 176.870 0.059 0.000 1.024 317 L CA -0.482 54.337 54.840 -0.034 0.000 0.826 317 L CB 1.567 43.563 42.059 -0.106 0.000 1.211 317 L HN 0.668 nan 8.230 nan 0.000 0.422 318 A N 3.423 126.266 122.820 0.038 0.000 2.478 318 A HA 0.523 4.843 4.320 0.000 0.000 0.327 318 A C -0.275 177.314 177.584 0.008 0.000 1.431 318 A CA -0.309 51.742 52.037 0.022 0.000 1.014 318 A CB -0.051 18.754 19.000 -0.325 0.000 1.143 318 A HN 0.762 nan 8.150 nan 0.000 0.532 319 C N 2.309 121.769 119.300 0.267 0.000 2.351 319 C HA 0.924 5.385 4.460 0.000 0.000 0.326 319 C C 0.614 175.757 174.990 0.255 0.000 1.272 319 C CA -0.002 59.132 59.018 0.193 0.000 1.650 319 C CB 0.313 28.166 27.740 0.188 0.000 2.257 319 C HN 1.085 nan 8.230 nan 0.000 0.505 320 A N 2.475 125.383 122.820 0.147 0.000 2.604 320 A HA 0.739 5.059 4.320 0.000 0.000 0.295 320 A C -1.426 176.207 177.584 0.083 0.000 1.067 320 A CA -0.457 51.661 52.037 0.136 0.000 0.683 320 A CB 1.036 20.121 19.000 0.143 0.000 1.281 320 A HN 0.804 nan 8.150 nan 0.000 0.407 321 E N 0.728 120.973 120.200 0.074 0.000 2.151 321 E HA 0.339 4.689 4.350 0.000 0.000 0.275 321 E C -1.063 175.563 176.600 0.042 0.000 0.936 321 E CA -0.610 55.833 56.400 0.072 0.000 0.777 321 E CB 0.884 30.636 29.700 0.086 0.000 1.108 321 E HN 0.523 nan 8.360 nan 0.000 0.401 322 N N 5.234 123.954 118.700 0.034 0.000 2.558 322 N HA 0.175 4.915 4.740 0.000 0.000 0.233 322 N C -1.247 174.287 175.510 0.041 0.000 1.038 322 N CA -0.125 52.931 53.050 0.010 0.000 0.934 322 N CB 0.326 38.793 38.487 -0.033 0.000 1.175 322 N HN 0.421 nan 8.380 nan 0.000 0.512 323 M N 2.990 122.610 119.600 0.033 0.000 2.602 323 M HA 0.514 4.994 4.480 0.000 0.000 0.312 323 M C -2.401 173.910 176.300 0.018 0.000 1.181 323 M CA -2.252 53.073 55.300 0.041 0.000 0.910 323 M CB 1.601 34.219 32.600 0.030 0.000 1.723 323 M HN 0.260 nan 8.290 nan 0.000 0.459 324 P HA 0.406 nan 4.420 nan 0.000 0.278 324 P C -0.783 176.519 177.300 0.003 0.000 1.238 324 P CA -0.020 63.086 63.100 0.009 0.000 0.794 324 P CB 1.212 32.919 31.700 0.012 0.000 0.955 325 S N -0.005 115.695 115.700 0.000 0.000 2.655 325 S HA 0.384 4.854 4.470 0.000 0.000 0.263 325 S C 1.049 175.649 174.600 -0.000 0.000 1.091 325 S CA -0.184 58.015 58.200 -0.002 0.000 0.865 325 S CB -0.017 63.180 63.200 -0.006 0.000 1.146 325 S HN 0.424 nan 8.310 nan 0.000 0.482 326 G N -0.148 108.652 108.800 -0.000 0.000 2.559 326 G HA2 0.357 4.317 3.960 0.000 0.000 0.216 326 G HA3 0.357 4.317 3.960 0.000 0.000 0.216 326 G C 0.860 175.763 174.900 0.005 0.000 1.126 326 G CA 0.582 45.683 45.100 0.002 0.000 0.778 326 G HN 1.560 nan 8.290 nan 0.000 0.543 327 G N -0.521 108.281 108.800 0.004 0.000 4.100 327 G HA2 0.545 4.505 3.960 0.000 0.000 0.294 327 G HA3 0.545 4.505 3.960 0.000 0.000 0.294 327 G C 0.372 175.274 174.900 0.004 0.000 1.040 327 G CA 0.542 45.647 45.100 0.009 0.000 0.829 327 G HN 0.538 nan 8.290 nan 0.000 0.505 328 A N 0.232 123.052 122.820 0.000 0.000 2.386 328 A HA 0.627 4.947 4.320 0.000 0.000 0.248 328 A C 0.856 178.444 177.584 0.007 0.000 1.082 328 A CA 0.025 52.061 52.037 -0.003 0.000 0.789 328 A CB 0.177 19.176 19.000 -0.003 0.000 1.025 328 A HN 0.174 nan 8.150 nan 0.000 0.490 329 T N 1.687 116.246 114.554 0.008 0.000 2.946 329 T HA 0.245 4.596 4.350 0.000 0.000 0.311 329 T C 0.300 175.009 174.700 0.014 0.000 1.063 329 T CA 0.789 62.900 62.100 0.019 0.000 1.139 329 T CB -0.087 68.793 68.868 0.021 0.000 0.994 329 T HN 0.581 nan 8.240 nan 0.000 0.547 330 R N 3.447 123.958 120.500 0.018 0.000 2.494 330 R HA 0.372 4.713 4.340 0.000 0.000 0.305 330 R C -2.763 173.547 176.300 0.016 0.000 0.959 330 R CA -2.235 53.873 56.100 0.014 0.000 0.864 330 R CB 1.073 31.380 30.300 0.012 0.000 1.159 330 R HN 0.346 nan 8.270 nan 0.000 0.446 331 P HA -0.152 nan 4.420 nan 0.000 0.261 331 P C 0.688 178.003 177.300 0.026 0.000 1.158 331 P CA 1.493 64.604 63.100 0.019 0.000 0.758 331 P CB 0.405 32.115 31.700 0.017 0.000 0.763 332 G N 1.924 110.747 108.800 0.039 0.000 2.217 332 G HA2 -0.204 3.756 3.960 0.000 0.000 0.246 332 G HA3 -0.204 3.756 3.960 0.000 0.000 0.246 332 G C -0.032 174.886 174.900 0.030 0.000 0.990 332 G CA -0.236 44.889 45.100 0.042 0.000 0.627 332 G HN 0.516 nan 8.290 nan 0.000 0.522 333 D N 0.469 120.888 120.400 0.032 0.000 2.472 333 D HA 0.409 5.049 4.640 0.000 0.000 0.237 333 D C 0.795 177.128 176.300 0.055 0.000 1.141 333 D CA 0.566 54.587 54.000 0.035 0.000 0.875 333 D CB 0.702 41.528 40.800 0.044 0.000 1.192 333 D HN 0.396 nan 8.370 nan 0.000 0.450 334 I N 1.925 122.526 120.570 0.051 0.000 2.406 334 I HA 0.279 4.449 4.170 0.000 0.000 0.290 334 I C 0.072 176.235 176.117 0.077 0.000 0.999 334 I CA -0.900 60.444 61.300 0.075 0.000 1.124 334 I CB 1.622 39.666 38.000 0.072 0.000 1.289 334 I HN 0.092 nan 8.210 nan 0.000 0.441 335 V N 1.443 121.417 119.914 0.098 0.000 3.046 335 V HA 0.662 4.782 4.120 0.000 0.000 0.316 335 V C -0.234 175.924 176.094 0.106 0.000 1.104 335 V CA -0.466 61.894 62.300 0.100 0.000 1.006 335 V CB 1.873 33.768 31.823 0.120 0.000 1.058 335 V HN 0.638 nan 8.190 nan 0.000 0.440 336 T N 2.615 117.225 114.554 0.093 0.000 2.758 336 T HA 0.560 4.910 4.350 0.000 0.000 0.285 336 T C 0.336 175.104 174.700 0.113 0.000 0.981 336 T CA 0.186 62.341 62.100 0.092 0.000 0.965 336 T CB 0.877 69.782 68.868 0.061 0.000 0.927 336 T HN 1.256 nan 8.240 nan 0.000 0.448 337 T N 1.271 115.914 114.554 0.148 0.000 2.788 337 T HA 0.301 4.651 4.350 0.000 0.000 0.280 337 T C 1.608 176.399 174.700 0.151 0.000 0.984 337 T CA -0.769 61.437 62.100 0.177 0.000 0.972 337 T CB 0.591 69.627 68.868 0.281 0.000 1.039 337 T HN 0.554 nan 8.240 nan 0.000 0.530 338 M N 1.116 120.812 119.600 0.160 0.000 2.296 338 M HA -0.084 4.397 4.480 0.000 0.000 0.265 338 M C 2.100 178.469 176.300 0.115 0.000 1.064 338 M CA 1.781 57.160 55.300 0.132 0.000 1.109 338 M CB -0.360 32.332 32.600 0.154 0.000 1.396 338 M HN 0.888 nan 8.290 nan 0.000 0.430 339 S N -1.168 114.623 115.700 0.152 0.000 2.561 339 S HA 0.161 4.631 4.470 0.000 0.000 0.225 339 S C 1.533 176.154 174.600 0.035 0.000 0.977 339 S CA 0.684 58.937 58.200 0.088 0.000 0.926 339 S CB -0.189 63.068 63.200 0.095 0.000 0.769 339 S HN 0.750 nan 8.310 nan 0.000 0.533 340 G N 0.410 109.246 108.800 0.060 0.000 2.241 340 G HA2 -0.270 3.691 3.960 0.000 0.000 0.244 340 G HA3 -0.270 3.691 3.960 0.000 0.000 0.244 340 G C -0.047 174.867 174.900 0.024 0.000 0.998 340 G CA 0.108 45.227 45.100 0.032 0.000 0.621 340 G HN 0.614 nan 8.290 nan 0.000 0.519 341 Q N 1.754 121.560 119.800 0.010 0.000 2.330 341 Q HA 0.440 4.780 4.340 0.000 0.000 0.279 341 Q C 0.750 176.800 176.000 0.083 0.000 1.024 341 Q CA 0.921 56.720 55.803 -0.007 0.000 0.900 341 Q CB 0.590 29.241 28.738 -0.144 0.000 1.221 341 Q HN 0.572 nan 8.270 nan 0.000 0.396 342 T N -1.607 112.990 114.554 0.073 0.000 2.902 342 T HA 0.628 4.978 4.350 0.000 0.000 0.283 342 T C -0.269 174.520 174.700 0.149 0.000 1.009 342 T CA -0.841 61.325 62.100 0.111 0.000 1.051 342 T CB 1.187 70.109 68.868 0.090 0.000 0.999 342 T HN 0.266 nan 8.240 nan 0.000 0.474 343 V N 2.153 122.179 119.914 0.187 0.000 2.588 343 V HA 0.445 4.565 4.120 0.000 0.000 0.304 343 V C -0.070 176.136 176.094 0.188 0.000 1.042 343 V CA -0.938 61.507 62.300 0.241 0.000 0.877 343 V CB 1.651 33.681 31.823 0.345 0.000 0.996 343 V HN 1.055 nan 8.190 nan 0.000 0.425 344 E N 4.484 124.794 120.200 0.184 0.000 2.130 344 E HA 0.398 4.748 4.350 0.000 0.000 0.284 344 E C -0.738 175.934 176.600 0.120 0.000 1.018 344 E CA -0.509 55.983 56.400 0.153 0.000 0.817 344 E CB 0.891 30.699 29.700 0.179 0.000 1.078 344 E HN 0.654 nan 8.360 nan 0.000 0.396 345 I N 6.837 127.459 120.570 0.087 0.000 2.241 345 I HA -0.002 4.168 4.170 0.000 0.000 0.294 345 I C 0.686 176.826 176.117 0.038 0.000 1.145 345 I CA -0.322 61.005 61.300 0.046 0.000 1.261 345 I CB 0.289 38.310 38.000 0.036 0.000 1.475 345 I HN 0.596 nan 8.210 nan 0.000 0.533 346 L N 3.787 125.032 121.223 0.037 0.000 2.156 346 L HA -0.024 4.317 4.340 0.000 0.000 0.208 346 L C 0.879 177.757 176.870 0.014 0.000 1.095 346 L CA 1.447 56.309 54.840 0.037 0.000 0.770 346 L CB -0.636 41.449 42.059 0.042 0.000 0.914 346 L HN 0.568 nan 8.230 nan 0.000 0.439 347 N N -1.999 116.696 118.700 -0.009 0.000 2.410 347 N HA 0.127 4.867 4.740 0.000 0.000 0.287 347 N C 0.739 176.228 175.510 -0.035 0.000 1.044 347 N CA 0.264 53.302 53.050 -0.020 0.000 0.881 347 N CB 1.372 39.842 38.487 -0.027 0.000 1.405 347 N HN 0.027 nan 8.380 nan 0.000 0.490 348 T N -0.850 113.689 114.554 -0.025 0.000 3.085 348 T HA -0.041 4.310 4.350 0.000 0.000 0.263 348 T C 0.937 175.609 174.700 -0.046 0.000 1.127 348 T CA 0.734 62.815 62.100 -0.031 0.000 1.103 348 T CB 0.007 68.865 68.868 -0.017 0.000 0.921 348 T HN 0.358 nan 8.240 nan 0.000 0.510 349 D N 1.522 121.893 120.400 -0.048 0.000 2.340 349 D HA 0.259 4.899 4.640 0.000 0.000 0.220 349 D C 1.002 177.259 176.300 -0.072 0.000 1.039 349 D CA 0.040 54.005 54.000 -0.057 0.000 0.866 349 D CB -0.216 40.556 40.800 -0.045 0.000 0.913 349 D HN 0.536 nan 8.370 nan 0.000 0.523 350 A N 1.155 123.923 122.820 -0.087 0.000 3.215 350 A HA 0.170 4.490 4.320 0.000 0.000 0.269 350 A C 1.329 178.821 177.584 -0.153 0.000 1.517 350 A CA -0.367 51.595 52.037 -0.125 0.000 1.221 350 A CB -0.200 18.708 19.000 -0.154 0.000 1.160 350 A HN 0.169 nan 8.150 nan 0.000 0.620 351 E N 0.455 120.582 120.200 -0.122 0.000 2.276 351 E HA -0.014 4.336 4.350 0.000 0.000 0.193 351 E C 1.520 178.035 176.600 -0.142 0.000 0.983 351 E CA 1.152 57.480 56.400 -0.120 0.000 0.861 351 E CB -0.918 28.728 29.700 -0.089 0.000 0.817 351 E HN 0.379 nan 8.360 nan 0.000 0.485 352 G N 2.993 111.715 108.800 -0.129 0.000 2.440 352 G HA2 -0.357 3.603 3.960 0.000 0.000 0.218 352 G HA3 -0.357 3.603 3.960 0.000 0.000 0.218 352 G C 1.867 176.687 174.900 -0.133 0.000 1.154 352 G CA 1.493 46.521 45.100 -0.119 0.000 0.767 352 G HN 0.459 nan 8.290 nan 0.000 0.552 353 R N 0.321 120.727 120.500 -0.157 0.000 2.189 353 R HA 0.161 4.501 4.340 0.000 0.000 0.223 353 R C 2.221 178.445 176.300 -0.127 0.000 1.092 353 R CA 0.893 56.905 56.100 -0.146 0.000 0.989 353 R CB -0.542 29.581 30.300 -0.295 0.000 0.876 353 R HN 0.407 nan 8.270 nan 0.000 0.457 354 L N 1.584 122.702 121.223 -0.176 0.000 2.095 354 L HA -0.065 4.275 4.340 0.000 0.000 0.204 354 L C 2.714 179.487 176.870 -0.163 0.000 1.080 354 L CA 0.840 55.613 54.840 -0.111 0.000 0.759 354 L CB -0.537 41.474 42.059 -0.080 0.000 0.914 354 L HN 0.106 nan 8.230 nan 0.000 0.439 355 V N -2.259 117.478 119.914 -0.295 0.000 2.427 355 V HA -0.187 3.933 4.120 0.000 0.000 0.248 355 V C 2.220 178.048 176.094 -0.444 0.000 1.051 355 V CA 1.255 63.170 62.300 -0.643 0.000 1.048 355 V CB -0.638 30.595 31.823 -0.983 0.000 0.666 355 V HN 0.323 nan 8.190 nan 0.000 0.456 356 L N 0.984 122.058 121.223 -0.248 0.000 2.093 356 L HA -0.128 4.212 4.340 0.000 0.000 0.208 356 L C 3.055 179.852 176.870 -0.121 0.000 1.085 356 L CA 1.719 56.486 54.840 -0.123 0.000 0.755 356 L CB -0.832 41.205 42.059 -0.036 0.000 0.904 356 L HN 0.703 nan 8.230 nan 0.000 0.435 357 C N -1.205 117.945 119.300 -0.250 0.000 2.429 357 C HA -0.134 4.326 4.460 0.000 0.000 0.277 357 C C 2.280 177.062 174.990 -0.347 0.000 1.262 357 C CA 0.532 59.187 59.018 -0.605 0.000 1.733 357 C CB -0.781 26.113 27.740 -1.410 0.000 2.010 357 C HN 0.474 nan 8.230 nan 0.000 0.483 358 D N 0.924 121.246 120.400 -0.130 0.000 2.117 358 D HA -0.048 4.592 4.640 0.000 0.000 0.198 358 D C 2.428 178.847 176.300 0.200 0.000 0.982 358 D CA 2.059 56.116 54.000 0.096 0.000 0.828 358 D CB -0.529 40.405 40.800 0.224 0.000 0.967 358 D HN 0.578 nan 8.370 nan 0.000 0.464 359 T N 1.209 115.868 114.554 0.176 0.000 2.867 359 T HA -0.043 4.308 4.350 0.000 0.000 0.268 359 T C 2.219 177.077 174.700 0.263 0.000 1.057 359 T CA 0.403 62.639 62.100 0.226 0.000 1.136 359 T CB -0.124 68.826 68.868 0.136 0.000 0.874 359 T HN 0.130 nan 8.240 nan 0.000 0.466 360 L N 0.827 122.166 121.223 0.194 0.000 2.046 360 L HA -0.116 4.224 4.340 0.000 0.000 0.208 360 L C 2.881 179.946 176.870 0.325 0.000 1.077 360 L CA 1.195 56.192 54.840 0.261 0.000 0.747 360 L CB -1.081 41.081 42.059 0.172 0.000 0.896 360 L HN 0.272 nan 8.230 nan 0.000 0.432 361 T N -1.553 113.160 114.554 0.264 0.000 2.821 361 T HA -0.236 4.115 4.350 0.000 0.000 0.267 361 T C 1.679 176.520 174.700 0.235 0.000 1.046 361 T CA 1.180 63.420 62.100 0.234 0.000 1.139 361 T CB -0.327 68.670 68.868 0.215 0.000 0.871 361 T HN 0.296 nan 8.240 nan 0.000 0.454 362 Y N 1.934 122.334 120.300 0.166 0.000 2.242 362 Y HA 0.087 4.637 4.550 0.000 0.000 0.291 362 Y C 2.472 178.487 175.900 0.192 0.000 1.137 362 Y CA 0.620 58.810 58.100 0.149 0.000 1.181 362 Y CB -0.508 38.056 38.460 0.173 0.000 0.989 362 Y HN 0.188 nan 8.280 nan 0.000 0.527 363 A N 0.165 123.242 122.820 0.429 0.000 2.070 363 A HA -0.201 4.119 4.320 0.000 0.000 0.220 363 A C 1.983 179.751 177.584 0.307 0.000 1.159 363 A CA 1.698 53.991 52.037 0.428 0.000 0.656 363 A CB -0.642 18.512 19.000 0.257 0.000 0.800 363 A HN 0.658 nan 8.150 nan 0.000 0.453 364 E N -0.065 120.290 120.200 0.259 0.000 2.118 364 E HA -0.267 4.083 4.350 0.000 0.000 0.195 364 E C 2.208 178.813 176.600 0.010 0.000 0.992 364 E CA 1.370 57.897 56.400 0.212 0.000 0.804 364 E CB -0.293 29.479 29.700 0.121 0.000 0.741 364 E HN 0.835 nan 8.360 nan 0.000 0.458 365 R N 0.653 121.014 120.500 -0.232 0.000 2.139 365 R HA -0.167 4.173 4.340 0.000 0.000 0.243 365 R C 1.512 177.549 176.300 -0.440 0.000 1.145 365 R CA 1.600 57.430 56.100 -0.450 0.000 0.976 365 R CB -0.678 29.165 30.300 -0.761 0.000 0.866 365 R HN 0.153 nan 8.270 nan 0.000 0.449 366 F N 1.296 121.229 119.950 -0.028 0.000 2.811 366 F HA 0.248 4.775 4.527 0.000 0.000 0.301 366 F C 0.199 175.993 175.800 -0.010 0.000 1.151 366 F CA -0.034 57.958 58.000 -0.014 0.000 1.412 366 F CB -0.119 38.880 39.000 -0.000 0.000 1.113 366 F HN -0.121 nan 8.300 nan 0.000 0.579 367 K N 0.434 120.905 120.400 0.119 0.000 4.040 367 K HA -0.187 4.134 4.320 0.000 0.000 0.279 367 K C -2.703 173.945 176.600 0.081 0.000 0.890 367 K CA -0.228 56.117 56.287 0.096 0.000 0.782 367 K CB -1.422 31.108 32.500 0.050 0.000 1.613 367 K HN 0.158 nan 8.250 nan 0.000 0.440 368 P HA -0.040 nan 4.420 nan 0.000 0.278 368 P C 0.275 177.554 177.300 -0.036 0.000 1.238 368 P CA -0.231 62.860 63.100 -0.015 0.000 0.794 368 P CB 0.789 32.433 31.700 -0.092 0.000 0.955 369 Q N 1.350 121.055 119.800 -0.158 0.000 2.432 369 Q HA 0.328 4.668 4.340 0.000 0.000 0.205 369 Q C -0.034 175.937 176.000 -0.049 0.000 0.945 369 Q CA 0.179 55.897 55.803 -0.142 0.000 0.924 369 Q CB 0.216 28.786 28.738 -0.279 0.000 1.016 369 Q HN 0.411 nan 8.270 nan 0.000 0.503 370 A N 0.315 123.117 122.820 -0.030 0.000 2.555 370 A HA 0.564 4.884 4.320 0.000 0.000 0.297 370 A C -1.477 176.140 177.584 0.055 0.000 1.060 370 A CA -0.667 51.440 52.037 0.116 0.000 0.710 370 A CB 2.090 21.278 19.000 0.314 0.000 1.282 370 A HN 0.054 nan 8.150 nan 0.000 0.399 371 V N 2.968 122.899 119.914 0.029 0.000 2.407 371 V HA 0.505 4.625 4.120 0.000 0.000 0.291 371 V C -0.590 175.568 176.094 0.107 0.000 1.018 371 V CA -0.148 62.147 62.300 -0.008 0.000 0.842 371 V CB 1.164 32.808 31.823 -0.297 0.000 0.996 371 V HN 0.681 nan 8.190 nan 0.000 0.426 372 I N 5.053 125.648 120.570 0.043 0.000 2.389 372 I HA 0.470 4.641 4.170 0.000 0.000 0.288 372 I C -0.648 175.500 176.117 0.052 0.000 0.999 372 I CA -0.559 60.722 61.300 -0.032 0.000 1.129 372 I CB 1.858 39.770 38.000 -0.146 0.000 1.288 372 I HN 0.660 nan 8.210 nan 0.000 0.444 373 D N 6.991 127.460 120.400 0.115 0.000 2.163 373 D HA 0.649 5.289 4.640 0.000 0.000 0.248 373 D C -0.709 175.656 176.300 0.109 0.000 1.035 373 D CA -0.407 53.702 54.000 0.182 0.000 0.872 373 D CB 2.023 43.032 40.800 0.349 0.000 1.183 373 D HN 0.212 nan 8.370 nan 0.000 0.445 374 I N 0.582 121.198 120.570 0.077 0.000 2.533 374 I HA 0.688 4.858 4.170 0.000 0.000 0.290 374 I C -0.578 175.572 176.117 0.056 0.000 1.056 374 I CA -0.609 60.706 61.300 0.025 0.000 1.057 374 I CB 2.035 40.026 38.000 -0.014 0.000 1.240 374 I HN 0.716 nan 8.210 nan 0.000 0.423 375 A N 2.489 125.342 122.820 0.055 0.000 2.540 375 A HA 0.662 4.983 4.320 0.000 0.000 0.297 375 A C -0.370 177.256 177.584 0.070 0.000 1.056 375 A CA -0.687 51.400 52.037 0.084 0.000 0.700 375 A CB 1.156 20.248 19.000 0.152 0.000 1.280 375 A HN 0.691 nan 8.150 nan 0.000 0.398 376 T N 1.443 116.050 114.554 0.088 0.000 3.781 376 T HA 0.329 4.679 4.350 0.000 0.000 0.286 376 T C 0.741 175.496 174.700 0.093 0.000 1.277 376 T CA -0.097 62.077 62.100 0.123 0.000 1.136 376 T CB -0.204 68.820 68.868 0.259 0.000 1.202 376 T HN 0.517 nan 8.240 nan 0.000 0.884 377 L N 2.903 124.172 121.223 0.077 0.000 2.145 377 L HA 0.297 4.637 4.340 0.000 0.000 0.201 377 L C 1.216 178.109 176.870 0.038 0.000 1.075 377 L CA 1.297 56.179 54.840 0.071 0.000 0.773 377 L CB -0.040 42.104 42.059 0.141 0.000 0.936 377 L HN 0.882 nan 8.230 nan 0.000 0.451 378 T N -5.134 109.438 114.554 0.031 0.000 2.952 378 T HA 0.496 4.846 4.350 0.000 0.000 0.305 378 T C 0.897 175.594 174.700 -0.006 0.000 1.064 378 T CA -0.325 61.781 62.100 0.010 0.000 1.008 378 T CB 1.319 70.191 68.868 0.007 0.000 1.078 378 T HN 0.107 nan 8.240 nan 0.000 0.459 379 G N 1.128 109.925 108.800 -0.006 0.000 2.450 379 G HA2 -0.016 3.944 3.960 0.000 0.000 0.220 379 G HA3 -0.016 3.944 3.960 0.000 0.000 0.220 379 G C 1.677 176.555 174.900 -0.038 0.000 1.130 379 G CA 0.843 45.929 45.100 -0.022 0.000 0.760 379 G HN 1.237 nan 8.290 nan 0.000 0.557 380 A N -0.042 122.761 122.820 -0.027 0.000 1.958 380 A HA -0.208 4.112 4.320 0.000 0.000 0.221 380 A C 2.577 180.135 177.584 -0.044 0.000 1.178 380 A CA 1.904 53.922 52.037 -0.031 0.000 0.642 380 A CB -1.240 17.747 19.000 -0.022 0.000 0.816 380 A HN 0.499 nan 8.150 nan 0.000 0.453 381 C N -0.692 118.580 119.300 -0.047 0.000 2.425 381 C HA -0.065 4.395 4.460 0.000 0.000 0.277 381 C C 2.576 177.511 174.990 -0.092 0.000 1.280 381 C CA 0.985 59.965 59.018 -0.064 0.000 1.744 381 C CB -1.454 26.247 27.740 -0.066 0.000 1.989 381 C HN 0.613 nan 8.230 nan 0.000 0.491 382 I N 0.247 120.753 120.570 -0.107 0.000 2.179 382 I HA -0.174 3.997 4.170 0.000 0.000 0.242 382 I C 2.434 178.487 176.117 -0.106 0.000 1.088 382 I CA 1.546 62.765 61.300 -0.136 0.000 1.357 382 I CB -0.553 37.357 38.000 -0.150 0.000 1.051 382 I HN 0.142 nan 8.210 nan 0.000 0.409 383 V N 1.049 120.916 119.914 -0.078 0.000 2.392 383 V HA -0.311 3.810 4.120 0.000 0.000 0.249 383 V C 2.622 178.677 176.094 -0.065 0.000 1.059 383 V CA 2.038 64.300 62.300 -0.062 0.000 1.051 383 V CB -1.045 30.752 31.823 -0.043 0.000 0.658 383 V HN 0.512 nan 8.190 nan 0.000 0.455 384 A N -0.951 121.828 122.820 -0.068 0.000 1.874 384 A HA 0.076 4.396 4.320 0.000 0.000 0.214 384 A C 1.931 179.461 177.584 -0.090 0.000 1.189 384 A CA 1.486 53.482 52.037 -0.068 0.000 0.615 384 A CB -0.128 18.838 19.000 -0.057 0.000 0.830 384 A HN 0.497 nan 8.150 nan 0.000 0.443 385 L N -2.288 118.875 121.223 -0.100 0.000 3.386 385 L HA 0.358 4.698 4.340 0.000 0.000 0.307 385 L C 1.254 178.053 176.870 -0.119 0.000 1.235 385 L CA 0.089 54.860 54.840 -0.115 0.000 1.056 385 L CB 0.402 42.403 42.059 -0.096 0.000 1.453 385 L HN 0.637 nan 8.230 nan 0.000 0.615 386 G N 0.787 109.507 108.800 -0.134 0.000 2.582 386 G HA2 -0.358 3.602 3.960 0.000 0.000 0.288 386 G HA3 -0.358 3.602 3.960 0.000 0.000 0.288 386 G C 0.711 175.451 174.900 -0.266 0.000 1.247 386 G CA 0.421 45.413 45.100 -0.179 0.000 0.972 386 G HN 0.157 nan 8.290 nan 0.000 0.557 387 S N 0.005 115.451 115.700 -0.423 0.000 2.524 387 S HA 0.140 4.611 4.470 0.000 0.000 0.216 387 S C 1.523 175.804 174.600 -0.532 0.000 0.987 387 S CA 1.060 58.926 58.200 -0.556 0.000 0.909 387 S CB -0.094 62.674 63.200 -0.720 0.000 0.781 387 S HN 0.596 nan 8.310 nan 0.000 0.521 388 H N 0.850 119.844 119.070 -0.127 0.000 2.553 388 H HA 0.250 4.806 4.556 0.000 0.000 0.276 388 H C 0.032 175.309 175.328 -0.085 0.000 0.979 388 H CA 0.702 56.689 56.048 -0.102 0.000 1.268 388 H CB 0.369 30.074 29.762 -0.095 0.000 1.450 388 H HN 0.213 nan 8.280 nan 0.000 0.527 389 T N 1.197 115.748 114.554 -0.006 0.000 2.879 389 T HA 0.247 4.598 4.350 0.000 0.000 0.290 389 T C 0.034 174.714 174.700 -0.034 0.000 0.993 389 T CA -0.611 61.489 62.100 0.000 0.000 0.975 389 T CB 2.623 71.497 68.868 0.009 0.000 0.981 389 T HN -0.087 nan 8.240 nan 0.000 0.439 390 T N 2.761 117.298 114.554 -0.029 0.000 2.884 390 T HA 0.468 4.818 4.350 0.000 0.000 0.298 390 T C 1.007 175.678 174.700 -0.049 0.000 0.998 390 T CA -0.330 61.731 62.100 -0.064 0.000 1.124 390 T CB 0.638 69.460 68.868 -0.078 0.000 0.931 390 T HN 0.763 nan 8.240 nan 0.000 0.531 391 G N 2.004 110.752 108.800 -0.088 0.000 2.403 391 G HA2 0.494 4.454 3.960 0.000 0.000 0.259 391 G HA3 0.494 4.454 3.960 0.000 0.000 0.259 391 G C -1.072 173.731 174.900 -0.163 0.000 1.244 391 G CA -0.274 44.775 45.100 -0.085 0.000 0.849 391 G HN 0.559 nan 8.290 nan 0.000 0.532 392 L N 2.032 123.174 121.223 -0.135 0.000 2.438 392 L HA 0.785 5.125 4.340 0.000 0.000 0.270 392 L C -0.497 176.274 176.870 -0.166 0.000 0.972 392 L CA -0.661 54.063 54.840 -0.193 0.000 0.831 392 L CB 1.986 43.943 42.059 -0.170 0.000 1.273 392 L HN 0.597 nan 8.230 nan 0.000 0.405 393 M N 2.925 122.409 119.600 -0.194 0.000 2.658 393 M HA 0.943 5.423 4.480 0.000 0.000 0.295 393 M C -0.047 176.058 176.300 -0.325 0.000 1.248 393 M CA -0.317 54.888 55.300 -0.159 0.000 0.843 393 M CB 2.582 35.171 32.600 -0.018 0.000 1.749 393 M HN 0.708 nan 8.290 nan 0.000 0.464 394 G N 0.286 108.936 108.800 -0.251 0.000 2.495 394 G HA2 0.342 4.303 3.960 0.000 0.000 0.294 394 G HA3 0.342 4.303 3.960 0.000 0.000 0.294 394 G C -1.360 173.575 174.900 0.057 0.000 1.397 394 G CA -0.679 44.217 45.100 -0.339 0.000 0.790 394 G HN 0.768 nan 8.290 nan 0.000 0.486 395 N N -0.773 118.082 118.700 0.259 0.000 2.238 395 N HA 0.204 4.944 4.740 0.000 0.000 0.222 395 N C -0.150 175.470 175.510 0.183 0.000 1.133 395 N CA -0.470 52.758 53.050 0.296 0.000 0.854 395 N CB 0.701 39.438 38.487 0.417 0.000 1.041 395 N HN 0.358 nan 8.380 nan 0.000 0.510 396 N N -0.072 118.702 118.700 0.123 0.000 2.542 396 N HA 0.198 4.938 4.740 0.000 0.000 0.288 396 N C -0.736 174.803 175.510 0.048 0.000 1.115 396 N CA -0.340 52.766 53.050 0.093 0.000 0.924 396 N CB 1.569 40.126 38.487 0.117 0.000 1.526 396 N HN -0.156 nan 8.380 nan 0.000 0.515 397 D N 1.178 121.602 120.400 0.041 0.000 2.224 397 D HA -0.076 4.564 4.640 0.000 0.000 0.205 397 D C 0.436 176.744 176.300 0.013 0.000 0.965 397 D CA 0.874 54.883 54.000 0.015 0.000 0.852 397 D CB 0.393 41.204 40.800 0.018 0.000 0.947 397 D HN 0.609 nan 8.370 nan 0.000 0.494 398 D N 0.637 121.058 120.400 0.035 0.000 2.117 398 D HA -0.123 4.517 4.640 0.000 0.000 0.198 398 D C 2.205 178.540 176.300 0.059 0.000 0.982 398 D CA 0.320 54.347 54.000 0.046 0.000 0.828 398 D CB -0.187 40.650 40.800 0.061 0.000 0.967 398 D HN 0.164 nan 8.370 nan 0.000 0.464 399 L N 1.087 122.346 121.223 0.061 0.000 2.005 399 L HA -0.120 4.220 4.340 0.000 0.000 0.207 399 L C 2.325 179.184 176.870 -0.019 0.000 1.072 399 L CA 1.346 56.222 54.840 0.059 0.000 0.744 399 L CB -0.723 41.365 42.059 0.049 0.000 0.895 399 L HN -0.153 nan 8.230 nan 0.000 0.433 400 V N 0.349 120.230 119.914 -0.055 0.000 2.287 400 V HA -0.259 3.861 4.120 0.000 0.000 0.248 400 V C 2.635 178.680 176.094 -0.082 0.000 1.053 400 V CA 1.928 64.167 62.300 -0.103 0.000 1.027 400 V CB -1.646 30.111 31.823 -0.110 0.000 0.646 400 V HN 0.650 nan 8.190 nan 0.000 0.447 401 G N -1.415 107.356 108.800 -0.049 0.000 2.442 401 G HA2 -0.288 3.672 3.960 0.000 0.000 0.219 401 G HA3 -0.288 3.672 3.960 0.000 0.000 0.219 401 G C 1.487 176.384 174.900 -0.005 0.000 1.141 401 G CA 0.871 45.948 45.100 -0.040 0.000 0.763 401 G HN 0.560 nan 8.290 nan 0.000 0.554 402 Q N -0.354 119.471 119.800 0.040 0.000 2.084 402 Q HA 0.028 4.368 4.340 0.000 0.000 0.202 402 Q C 2.646 178.710 176.000 0.108 0.000 0.978 402 Q CA 0.951 56.821 55.803 0.112 0.000 0.844 402 Q CB -0.243 28.640 28.738 0.241 0.000 0.898 402 Q HN 0.456 nan 8.270 nan 0.000 0.426 403 L N -0.129 121.095 121.223 0.003 0.000 2.141 403 L HA -0.191 4.149 4.340 0.000 0.000 0.209 403 L C 2.043 178.886 176.870 -0.044 0.000 1.094 403 L CA 0.390 55.187 54.840 -0.072 0.000 0.763 403 L CB -0.271 41.666 42.059 -0.204 0.000 0.908 403 L HN 0.227 nan 8.230 nan 0.000 0.437 404 L N -0.197 120.993 121.223 -0.055 0.000 2.056 404 L HA -0.217 4.123 4.340 0.000 0.000 0.207 404 L C 2.149 179.008 176.870 -0.018 0.000 1.078 404 L CA 1.768 56.574 54.840 -0.056 0.000 0.749 404 L CB -0.852 41.143 42.059 -0.105 0.000 0.901 404 L HN 0.219 nan 8.230 nan 0.000 0.433 405 D N -0.951 119.447 120.400 -0.003 0.000 2.144 405 D HA -0.146 4.494 4.640 0.000 0.000 0.199 405 D C 2.169 178.489 176.300 0.032 0.000 0.984 405 D CA 1.191 55.200 54.000 0.015 0.000 0.834 405 D CB 0.178 40.990 40.800 0.020 0.000 0.955 405 D HN 0.269 nan 8.370 nan 0.000 0.465 406 A N -0.044 122.804 122.820 0.047 0.000 1.898 406 A HA 0.045 4.365 4.320 0.000 0.000 0.216 406 A C 2.371 179.980 177.584 0.042 0.000 1.181 406 A CA 1.835 53.907 52.037 0.058 0.000 0.620 406 A CB -1.277 17.783 19.000 0.100 0.000 0.819 406 A HN 0.346 nan 8.150 nan 0.000 0.442 407 G N -0.127 108.688 108.800 0.024 0.000 2.440 407 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 407 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 407 G C 1.677 176.596 174.900 0.032 0.000 1.154 407 G CA 1.191 46.302 45.100 0.019 0.000 0.767 407 G HN 0.591 nan 8.290 nan 0.000 0.552 408 K N -0.031 120.390 120.400 0.035 0.000 2.026 408 K HA -0.015 4.305 4.320 0.000 0.000 0.208 408 K C 2.694 179.321 176.600 0.045 0.000 1.048 408 K CA 0.990 57.302 56.287 0.041 0.000 0.929 408 K CB -0.161 32.361 32.500 0.037 0.000 0.713 408 K HN 0.135 nan 8.250 nan 0.000 0.439 409 R N 0.210 120.740 120.500 0.051 0.000 2.148 409 R HA 0.000 4.340 4.340 0.000 0.000 0.223 409 R C 1.997 178.339 176.300 0.070 0.000 1.088 409 R CA 0.941 57.082 56.100 0.068 0.000 0.985 409 R CB -0.036 30.315 30.300 0.084 0.000 0.880 409 R HN 0.165 nan 8.270 nan 0.000 0.451 410 A N 0.753 123.607 122.820 0.056 0.000 2.218 410 A HA -0.040 4.281 4.320 0.000 0.000 0.209 410 A C 0.241 177.847 177.584 0.038 0.000 1.168 410 A CA 0.289 52.355 52.037 0.048 0.000 0.804 410 A CB 0.124 19.146 19.000 0.038 0.000 0.834 410 A HN 0.331 nan 8.150 nan 0.000 0.482 411 D N -0.401 120.023 120.400 0.040 0.000 2.735 411 D HA -0.173 4.468 4.640 0.000 0.000 0.235 411 D C -0.631 175.684 176.300 0.024 0.000 1.175 411 D CA 1.325 55.346 54.000 0.035 0.000 0.683 411 D CB -1.150 39.674 40.800 0.040 0.000 1.008 411 D HN 0.439 nan 8.370 nan 0.000 0.416 412 D N 0.547 120.959 120.400 0.021 0.000 2.586 412 D HA 0.206 4.846 4.640 0.000 0.000 0.254 412 D C -0.376 175.931 176.300 0.011 0.000 1.248 412 D CA -0.438 53.567 54.000 0.009 0.000 0.843 412 D CB 0.191 40.991 40.800 -0.000 0.000 1.332 412 D HN 0.226 nan 8.370 nan 0.000 0.523 413 R N 0.755 121.270 120.500 0.026 0.000 2.490 413 R HA 0.781 5.122 4.340 0.000 0.000 0.278 413 R C 0.019 176.346 176.300 0.045 0.000 1.069 413 R CA -0.412 55.716 56.100 0.047 0.000 1.080 413 R CB 1.527 31.872 30.300 0.076 0.000 1.030 413 R HN 0.319 nan 8.270 nan 0.000 0.491 414 A N 2.175 125.029 122.820 0.057 0.000 2.387 414 A HA 0.663 4.983 4.320 0.000 0.000 0.298 414 A C -1.751 175.941 177.584 0.180 0.000 1.165 414 A CA -0.592 51.480 52.037 0.059 0.000 0.814 414 A CB 1.652 20.637 19.000 -0.025 0.000 1.357 414 A HN 0.743 nan 8.150 nan 0.000 0.443 415 W N 0.758 122.010 121.300 -0.080 0.000 3.425 415 W HA 0.333 4.994 4.660 0.000 0.000 0.318 415 W C -1.214 175.254 176.519 -0.084 0.000 1.201 415 W CA -0.191 57.113 57.345 -0.069 0.000 1.212 415 W CB 1.491 30.917 29.460 -0.058 0.000 1.355 415 W HN 0.906 nan 8.180 nan 0.000 0.515 416 Q N 3.726 123.297 119.800 -0.382 0.000 2.327 416 Q HA 0.420 4.760 4.340 0.000 0.000 0.254 416 Q C -0.989 174.955 176.000 -0.093 0.000 0.952 416 Q CA 0.209 55.867 55.803 -0.242 0.000 0.884 416 Q CB 1.044 29.599 28.738 -0.306 0.000 1.224 416 Q HN 0.531 nan 8.270 nan 0.000 0.422 417 L N 5.311 126.490 121.223 -0.073 0.000 2.341 417 L HA 0.603 4.943 4.340 0.000 0.000 0.267 417 L C -2.209 174.564 176.870 -0.162 0.000 1.009 417 L CA -2.331 52.462 54.840 -0.079 0.000 0.819 417 L CB 2.047 44.067 42.059 -0.065 0.000 1.323 417 L HN 0.630 nan 8.230 nan 0.000 0.425 418 P HA 0.200 nan 4.420 nan 0.000 0.285 418 P C -0.685 176.419 177.300 -0.327 0.000 1.259 418 P CA -0.234 62.595 63.100 -0.452 0.000 0.794 418 P CB 0.997 32.020 31.700 -1.128 0.000 0.940 419 L N 3.282 124.448 121.223 -0.094 0.000 2.923 419 L HA 0.275 4.615 4.340 0.000 0.000 0.231 419 L C 0.181 177.242 176.870 0.317 0.000 1.300 419 L CA -0.762 54.135 54.840 0.095 0.000 1.184 419 L CB -0.710 41.446 42.059 0.163 0.000 1.511 419 L HN 0.180 nan 8.230 nan 0.000 0.448 420 F N 0.314 120.459 119.950 0.325 0.000 2.602 420 F HA -0.056 4.471 4.527 0.000 0.000 0.367 420 F C 1.768 177.691 175.800 0.205 0.000 1.126 420 F CA -0.166 57.978 58.000 0.240 0.000 1.321 420 F CB 0.139 39.246 39.000 0.177 0.000 1.094 420 F HN 0.239 nan 8.300 nan 0.000 0.594 421 D N 1.482 122.046 120.400 0.275 0.000 2.263 421 D HA -0.133 4.507 4.640 0.000 0.000 0.208 421 D C 1.744 178.099 176.300 0.092 0.000 0.971 421 D CA 1.030 55.121 54.000 0.152 0.000 0.867 421 D CB 0.033 40.879 40.800 0.077 0.000 0.929 421 D HN 0.554 nan 8.370 nan 0.000 0.492 422 E N -0.359 119.849 120.200 0.014 0.000 2.153 422 E HA -0.152 4.198 4.350 0.000 0.000 0.194 422 E C 1.701 178.254 176.600 -0.078 0.000 0.988 422 E CA 0.659 57.003 56.400 -0.093 0.000 0.811 422 E CB -0.428 29.142 29.700 -0.217 0.000 0.746 422 E HN 0.540 nan 8.360 nan 0.000 0.466 423 Y N 0.601 120.974 120.300 0.122 0.000 2.439 423 Y HA -0.135 4.415 4.550 0.000 0.000 0.292 423 Y C 2.215 178.166 175.900 0.085 0.000 1.130 423 Y CA 0.491 58.651 58.100 0.099 0.000 1.254 423 Y CB 0.161 38.682 38.460 0.102 0.000 1.000 423 Y HN 0.017 nan 8.280 nan 0.000 0.554 424 Q N 0.818 120.747 119.800 0.215 0.000 2.124 424 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 424 Q C 1.994 178.055 176.000 0.102 0.000 0.977 424 Q CA 1.708 57.597 55.803 0.143 0.000 0.850 424 Q CB -0.469 28.327 28.738 0.097 0.000 0.901 424 Q HN 0.737 nan 8.270 nan 0.000 0.429 425 E N 0.453 120.699 120.200 0.077 0.000 2.265 425 E HA -0.204 4.146 4.350 0.000 0.000 0.196 425 E C 1.535 178.172 176.600 0.062 0.000 0.996 425 E CA 0.720 57.150 56.400 0.050 0.000 0.832 425 E CB -0.227 29.488 29.700 0.026 0.000 0.756 425 E HN 0.435 nan 8.360 nan 0.000 0.491 426 Q N 0.471 120.326 119.800 0.092 0.000 2.291 426 Q HA -0.045 4.295 4.340 0.000 0.000 0.206 426 Q C 1.976 178.034 176.000 0.097 0.000 0.976 426 Q CA 1.013 56.874 55.803 0.096 0.000 0.875 426 Q CB -0.104 28.712 28.738 0.129 0.000 0.927 426 Q HN 0.391 nan 8.270 nan 0.000 0.450 427 L N 0.629 121.920 121.223 0.113 0.000 2.591 427 L HA 0.059 4.399 4.340 0.000 0.000 0.228 427 L C -0.011 176.919 176.870 0.100 0.000 1.133 427 L CA -0.408 54.514 54.840 0.135 0.000 0.880 427 L CB 0.005 42.184 42.059 0.199 0.000 1.033 427 L HN 0.022 nan 8.230 nan 0.000 0.450 428 D N 0.861 121.298 120.400 0.060 0.000 2.449 428 D HA 0.058 4.698 4.640 0.000 0.000 0.236 428 D C 0.330 176.641 176.300 0.018 0.000 1.149 428 D CA 0.537 54.553 54.000 0.027 0.000 0.878 428 D CB 1.177 41.979 40.800 0.003 0.000 1.198 428 D HN -0.007 nan 8.370 nan 0.000 0.446 429 S N 1.059 116.756 115.700 -0.005 0.000 2.536 429 S HA 0.468 4.938 4.470 0.000 0.000 0.287 429 S C -2.051 172.457 174.600 -0.152 0.000 1.101 429 S CA -1.287 56.890 58.200 -0.038 0.000 0.950 429 S CB 1.972 65.203 63.200 0.051 0.000 1.056 429 S HN 0.140 nan 8.310 nan 0.000 0.481 430 P HA 0.111 nan 4.420 nan 0.000 0.229 430 P C 0.550 177.515 177.300 -0.558 0.000 1.160 430 P CA 0.777 63.557 63.100 -0.534 0.000 0.777 430 P CB -0.043 31.187 31.700 -0.784 0.000 0.814 431 F N 0.372 120.339 119.950 0.028 0.000 2.390 431 F HA 0.383 4.910 4.527 0.001 0.000 0.281 431 F C 1.808 177.625 175.800 0.030 0.000 1.016 431 F CA -0.165 57.851 58.000 0.027 0.000 1.286 431 F CB -1.344 37.673 39.000 0.029 0.000 1.134 431 F HN -0.162 nan 8.300 nan 0.000 0.597 432 A N 0.359 123.313 122.820 0.222 0.000 2.242 432 A HA 0.284 4.604 4.320 0.000 0.000 0.304 432 A C 0.926 178.562 177.584 0.088 0.000 1.100 432 A CA -0.240 51.885 52.037 0.147 0.000 0.860 432 A CB -0.052 19.044 19.000 0.161 0.000 1.168 432 A HN 0.235 nan 8.150 nan 0.000 0.503 433 D N -0.402 120.038 120.400 0.067 0.000 2.182 433 D HA -0.045 4.595 4.640 0.000 0.000 0.201 433 D C 0.738 177.057 176.300 0.033 0.000 0.986 433 D CA 2.085 56.100 54.000 0.025 0.000 0.847 433 D CB -0.180 40.614 40.800 -0.011 0.000 0.942 433 D HN 0.643 nan 8.370 nan 0.000 0.467 434 M N -2.391 117.261 119.600 0.087 0.000 2.603 434 M HA 0.577 5.057 4.480 0.000 0.000 0.275 434 M C -0.536 175.882 176.300 0.196 0.000 1.226 434 M CA -0.956 54.420 55.300 0.127 0.000 0.870 434 M CB 2.149 34.822 32.600 0.122 0.000 1.716 434 M HN -0.182 nan 8.290 nan 0.000 0.482 435 G N 0.671 109.589 108.800 0.197 0.000 2.488 435 G HA2 0.408 4.368 3.960 0.000 0.000 0.318 435 G HA3 0.408 4.368 3.960 0.000 0.000 0.318 435 G C 0.156 175.203 174.900 0.246 0.000 1.188 435 G CA -0.414 44.797 45.100 0.185 0.000 0.944 435 G HN 0.950 nan 8.290 nan 0.000 0.495 436 N N -1.015 117.741 118.700 0.094 0.000 2.280 436 N HA 0.035 4.775 4.740 0.000 0.000 0.192 436 N C 0.508 175.894 175.510 -0.206 0.000 1.109 436 N CA 0.126 53.068 53.050 -0.181 0.000 0.855 436 N CB -0.018 38.286 38.487 -0.304 0.000 0.974 436 N HN 0.619 nan 8.380 nan 0.000 0.482 437 I N -5.755 114.789 120.570 -0.044 0.000 2.934 437 I HA 0.745 4.916 4.170 0.000 0.000 0.306 437 I C 0.526 176.665 176.117 0.036 0.000 1.110 437 I CA -1.329 59.956 61.300 -0.025 0.000 1.019 437 I CB 2.244 40.227 38.000 -0.028 0.000 1.227 437 I HN -0.217 nan 8.210 nan 0.000 0.434 438 G N 1.297 110.122 108.800 0.041 0.000 3.377 438 G HA2 0.627 4.587 3.960 0.000 0.000 0.257 438 G HA3 0.627 4.587 3.960 0.000 0.000 0.257 438 G C 0.450 175.384 174.900 0.057 0.000 1.038 438 G CA -0.052 45.089 45.100 0.067 0.000 0.809 438 G HN 1.486 nan 8.290 nan 0.000 0.526 439 G N 0.690 109.513 108.800 0.039 0.000 2.549 439 G HA2 -0.032 3.928 3.960 0.000 0.000 0.404 439 G HA3 -0.032 3.928 3.960 0.000 0.000 0.404 439 G C -1.229 173.689 174.900 0.030 0.000 1.292 439 G CA -0.089 45.031 45.100 0.035 0.000 0.935 439 G HN 0.114 nan 8.290 nan 0.000 0.512 440 P HA 0.117 nan 4.420 nan 0.000 0.229 440 P C 0.423 177.740 177.300 0.030 0.000 1.160 440 P CA 0.927 64.041 63.100 0.024 0.000 0.777 440 P CB 0.104 31.817 31.700 0.021 0.000 0.814 441 K N 0.454 120.882 120.400 0.046 0.000 2.183 441 K HA 0.532 4.852 4.320 0.000 0.000 0.274 441 K C 0.288 176.928 176.600 0.068 0.000 1.009 441 K CA -0.202 56.123 56.287 0.063 0.000 0.888 441 K CB 0.933 33.484 32.500 0.087 0.000 1.078 441 K HN -0.044 nan 8.250 nan 0.000 0.459 442 A N 2.310 125.155 122.820 0.041 0.000 2.739 442 A HA -0.181 4.139 4.320 0.000 0.000 0.296 442 A C 1.287 178.840 177.584 -0.052 0.000 1.488 442 A CA 0.826 52.847 52.037 -0.027 0.000 0.746 442 A CB -2.239 16.747 19.000 -0.023 0.000 1.047 442 A HN 1.102 nan 8.150 nan 0.000 0.477 443 G N -0.861 107.925 108.800 -0.022 0.000 2.418 443 G HA2 -0.083 3.877 3.960 0.000 0.000 0.217 443 G HA3 -0.083 3.877 3.960 0.000 0.000 0.217 443 G C 1.392 176.283 174.900 -0.016 0.000 1.158 443 G CA 1.976 47.068 45.100 -0.013 0.000 0.771 443 G HN 0.828 nan 8.290 nan 0.000 0.545 444 T N 1.237 115.774 114.554 -0.028 0.000 2.777 444 T HA -0.029 4.321 4.350 0.000 0.000 0.266 444 T C 2.393 177.088 174.700 -0.008 0.000 1.040 444 T CA 0.943 63.040 62.100 -0.005 0.000 1.141 444 T CB -0.128 68.726 68.868 -0.023 0.000 0.868 444 T HN 0.236 nan 8.240 nan 0.000 0.444 445 I N 1.808 122.315 120.570 -0.105 0.000 2.226 445 I HA -0.192 3.979 4.170 0.000 0.000 0.245 445 I C 2.964 179.031 176.117 -0.083 0.000 1.100 445 I CA 1.569 62.757 61.300 -0.187 0.000 1.374 445 I CB -0.629 37.051 38.000 -0.534 0.000 1.057 445 I HN 0.406 nan 8.210 nan 0.000 0.413 446 T N -0.865 113.662 114.554 -0.044 0.000 2.821 446 T HA -0.088 4.262 4.350 0.000 0.000 0.267 446 T C 2.008 176.777 174.700 0.114 0.000 1.046 446 T CA 0.912 63.050 62.100 0.063 0.000 1.139 446 T CB -0.535 68.383 68.868 0.084 0.000 0.871 446 T HN 0.325 nan 8.240 nan 0.000 0.454 447 A N 2.071 124.934 122.820 0.072 0.000 1.883 447 A HA 0.175 4.495 4.320 0.000 0.000 0.217 447 A C 2.768 180.420 177.584 0.113 0.000 1.186 447 A CA 1.895 53.977 52.037 0.076 0.000 0.624 447 A CB -1.729 17.294 19.000 0.039 0.000 0.822 447 A HN 0.626 nan 8.150 nan 0.000 0.444 448 G N -0.922 107.949 108.800 0.118 0.000 2.446 448 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 448 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 448 G C 1.614 176.673 174.900 0.265 0.000 1.168 448 G CA 1.337 46.554 45.100 0.194 0.000 0.771 448 G HN 0.531 nan 8.290 nan 0.000 0.551 449 C N -0.297 119.124 119.300 0.202 0.000 2.413 449 C HA -0.020 4.440 4.460 0.000 0.000 0.276 449 C C 2.433 177.528 174.990 0.176 0.000 1.248 449 C CA 0.747 59.878 59.018 0.188 0.000 1.742 449 C CB -1.203 26.645 27.740 0.180 0.000 2.017 449 C HN 0.482 nan 8.230 nan 0.000 0.481 450 F N 1.326 121.328 119.950 0.086 0.000 2.102 450 F HA -0.106 4.421 4.527 0.000 0.000 0.298 450 F C 2.092 177.992 175.800 0.166 0.000 1.105 450 F CA 1.625 59.694 58.000 0.116 0.000 1.239 450 F CB -0.411 38.640 39.000 0.084 0.000 0.991 450 F HN 0.106 nan 8.300 nan 0.000 0.474 451 L N 0.078 121.455 121.223 0.257 0.000 2.093 451 L HA -0.207 4.133 4.340 0.000 0.000 0.208 451 L C 2.729 179.439 176.870 -0.266 0.000 1.085 451 L CA 1.358 56.247 54.840 0.081 0.000 0.755 451 L CB -1.109 41.023 42.059 0.123 0.000 0.904 451 L HN 0.309 nan 8.230 nan 0.000 0.435 452 S N 0.119 115.629 115.700 -0.318 0.000 2.420 452 S HA -0.219 4.252 4.470 0.000 0.000 0.237 452 S C 1.931 176.291 174.600 -0.401 0.000 1.023 452 S CA 0.928 58.802 58.200 -0.544 0.000 0.991 452 S CB -0.522 62.651 63.200 -0.043 0.000 0.792 452 S HN 0.437 nan 8.310 nan 0.000 0.488 453 R N -0.210 120.098 120.500 -0.320 0.000 2.285 453 R HA 0.098 4.438 4.340 0.000 0.000 0.213 453 R C 0.672 176.527 176.300 -0.741 0.000 1.068 453 R CA 1.060 56.850 56.100 -0.517 0.000 1.004 453 R CB -0.346 29.557 30.300 -0.661 0.000 0.873 453 R HN 0.549 nan 8.270 nan 0.000 0.467 454 F N -1.037 118.666 119.950 -0.412 0.000 2.678 454 F HA 0.320 4.848 4.527 0.000 0.000 0.305 454 F C 1.410 176.970 175.800 -0.401 0.000 1.090 454 F CA -0.267 57.532 58.000 -0.336 0.000 1.272 454 F CB 0.674 39.523 39.000 -0.252 0.000 1.060 454 F HN -0.119 nan 8.300 nan 0.000 0.576 455 A N -0.469 122.076 122.820 -0.459 0.000 2.630 455 A HA 0.253 4.573 4.320 0.000 0.000 0.290 455 A C 1.563 178.780 177.584 -0.610 0.000 1.267 455 A CA -0.219 51.432 52.037 -0.643 0.000 0.950 455 A CB -0.372 17.996 19.000 -1.054 0.000 1.144 455 A HN 0.182 nan 8.150 nan 0.000 0.527 456 K N -0.200 119.916 120.400 -0.474 0.000 2.439 456 K HA 0.063 4.383 4.320 0.000 0.000 0.197 456 K C 1.695 178.102 176.600 -0.321 0.000 1.041 456 K CA 0.928 57.024 56.287 -0.318 0.000 0.970 456 K CB 0.055 32.409 32.500 -0.242 0.000 0.773 456 K HN 0.461 nan 8.250 nan 0.000 0.479 457 A N 0.449 122.953 122.820 -0.527 0.000 2.218 457 A HA 0.058 4.379 4.320 0.000 0.000 0.209 457 A C 0.095 177.548 177.584 -0.218 0.000 1.168 457 A CA 0.404 52.229 52.037 -0.353 0.000 0.804 457 A CB -0.151 18.664 19.000 -0.309 0.000 0.834 457 A HN 0.304 nan 8.150 nan 0.000 0.482 458 Y N -3.294 117.040 120.300 0.056 0.000 2.689 458 Y HA 0.524 5.074 4.550 0.000 0.000 0.333 458 Y C -0.828 175.159 175.900 0.145 0.000 1.190 458 Y CA -2.851 55.303 58.100 0.091 0.000 1.063 458 Y CB -0.204 38.318 38.460 0.103 0.000 1.294 458 Y HN 0.016 nan 8.280 nan 0.000 0.466 459 N N 0.573 119.525 118.700 0.421 0.000 2.470 459 N HA 0.327 5.067 4.740 0.000 0.000 0.268 459 N C -1.691 174.098 175.510 0.466 0.000 1.136 459 N CA -0.082 53.179 53.050 0.351 0.000 0.961 459 N CB 0.771 39.388 38.487 0.217 0.000 1.067 459 N HN 0.703 nan 8.380 nan 0.000 0.468 460 W N 2.941 124.378 121.300 0.228 0.000 3.127 460 W HA 0.697 5.358 4.660 0.000 0.000 0.330 460 W C -1.814 174.785 176.519 0.134 0.000 1.187 460 W CA -0.565 56.912 57.345 0.219 0.000 1.198 460 W CB 1.043 30.719 29.460 0.360 0.000 1.408 460 W HN 0.478 nan 8.180 nan 0.000 0.529 461 A N 3.158 125.501 122.820 -0.796 0.000 2.566 461 A HA 0.695 5.015 4.320 0.000 0.000 0.292 461 A C -2.280 174.710 177.584 -0.991 0.000 1.112 461 A CA -0.666 50.787 52.037 -0.973 0.000 0.707 461 A CB 1.770 20.500 19.000 -0.449 0.000 1.302 461 A HN 1.014 nan 8.150 nan 0.000 0.409 462 H N 0.404 118.984 119.070 -0.818 0.000 2.934 462 H HA 0.687 5.243 4.556 0.000 0.000 0.340 462 H C -1.490 173.697 175.328 -0.235 0.000 1.008 462 H CA -0.492 55.310 56.048 -0.410 0.000 1.317 462 H CB 0.984 30.587 29.762 -0.264 0.000 1.670 462 H HN 0.548 nan 8.280 nan 0.000 0.516 463 M N 4.223 123.486 119.600 -0.562 0.000 2.114 463 M HA 0.200 4.680 4.480 0.000 0.000 0.332 463 M C -0.872 175.117 176.300 -0.518 0.000 1.014 463 M CA -0.698 54.314 55.300 -0.480 0.000 0.956 463 M CB 1.440 33.890 32.600 -0.250 0.000 1.551 463 M HN 0.573 nan 8.290 nan 0.000 0.427 464 D N 4.777 124.888 120.400 -0.481 0.000 2.359 464 D HA 0.275 4.915 4.640 0.000 0.000 0.230 464 D C 0.374 176.585 176.300 -0.149 0.000 1.118 464 D CA -0.209 53.638 54.000 -0.256 0.000 0.844 464 D CB 0.856 41.558 40.800 -0.163 0.000 1.059 464 D HN 0.716 nan 8.370 nan 0.000 0.493 465 I N 0.817 121.331 120.570 -0.093 0.000 3.914 465 I HA 0.311 4.481 4.170 0.000 0.000 0.333 465 I C 1.571 177.633 176.117 -0.092 0.000 1.449 465 I CA -0.518 60.730 61.300 -0.087 0.000 1.135 465 I CB 0.492 38.460 38.000 -0.054 0.000 1.073 465 I HN 0.185 nan 8.210 nan 0.000 0.401 466 A N 1.929 124.703 122.820 -0.077 0.000 2.042 466 A HA -0.117 4.203 4.320 0.000 0.000 0.222 466 A C 2.199 179.549 177.584 -0.390 0.000 1.167 466 A CA 2.165 54.139 52.037 -0.106 0.000 0.649 466 A CB -1.020 17.948 19.000 -0.053 0.000 0.809 466 A HN 0.615 nan 8.150 nan 0.000 0.457 467 G N -2.151 106.450 108.800 -0.331 0.000 2.833 467 G HA2 0.164 4.124 3.960 0.000 0.000 0.210 467 G HA3 0.164 4.124 3.960 0.000 0.000 0.210 467 G C 1.307 175.952 174.900 -0.426 0.000 1.139 467 G CA 1.295 46.139 45.100 -0.428 0.000 0.771 467 G HN 0.683 nan 8.290 nan 0.000 0.535 468 T N -2.791 111.578 114.554 -0.308 0.000 3.023 468 T HA 0.478 4.828 4.350 0.000 0.000 0.253 468 T C 2.176 176.756 174.700 -0.201 0.000 1.038 468 T CA 0.982 62.939 62.100 -0.239 0.000 0.962 468 T CB 0.713 69.489 68.868 -0.153 0.000 1.018 468 T HN 0.144 nan 8.240 nan 0.000 0.521 469 A N 0.927 123.639 122.820 -0.181 0.000 2.072 469 A HA 0.507 4.827 4.320 0.000 0.000 0.216 469 A C 0.549 178.148 177.584 0.024 0.000 1.156 469 A CA 0.016 52.044 52.037 -0.016 0.000 0.701 469 A CB -0.505 18.587 19.000 0.154 0.000 0.816 469 A HN 0.877 nan 8.150 nan 0.000 0.458 470 W N -2.547 118.575 121.300 -0.297 0.000 3.137 470 W HA 0.688 5.348 4.660 0.001 0.000 0.324 470 W C -1.741 174.592 176.519 -0.310 0.000 1.253 470 W CA -1.265 55.810 57.345 -0.450 0.000 1.183 470 W CB 0.286 29.192 29.460 -0.924 0.000 1.424 470 W HN -0.122 nan 8.180 nan 0.000 0.566 471 I N 3.098 123.589 120.570 -0.132 0.000 2.359 471 I HA 0.202 4.372 4.170 0.000 0.000 0.294 471 I C 0.968 177.122 176.117 0.062 0.000 0.987 471 I CA -0.362 60.863 61.300 -0.124 0.000 1.225 471 I CB 1.945 39.898 38.000 -0.078 0.000 1.366 471 I HN 0.710 nan 8.210 nan 0.000 0.466 472 S N 3.143 118.855 115.700 0.020 0.000 2.387 472 S HA 0.096 4.566 4.470 0.000 0.000 0.226 472 S C 0.682 175.358 174.600 0.126 0.000 1.026 472 S CA 0.995 59.290 58.200 0.159 0.000 0.972 472 S CB 0.104 63.354 63.200 0.084 0.000 0.814 472 S HN 0.890 nan 8.310 nan 0.000 0.477 473 G N -1.602 107.236 108.800 0.063 0.000 2.827 473 G HA2 0.588 4.548 3.960 0.000 0.000 0.296 473 G HA3 0.588 4.548 3.960 0.000 0.000 0.296 473 G C -0.250 174.675 174.900 0.042 0.000 1.362 473 G CA -0.114 45.021 45.100 0.058 0.000 0.809 473 G HN 0.767 nan 8.290 nan 0.000 0.522 474 G N -0.821 108.002 108.800 0.039 0.000 2.660 474 G HA2 -0.136 3.824 3.960 0.000 0.000 0.247 474 G HA3 -0.136 3.824 3.960 0.000 0.000 0.247 474 G C 0.677 175.602 174.900 0.042 0.000 1.328 474 G CA 0.465 45.585 45.100 0.033 0.000 0.884 474 G HN 0.825 nan 8.290 nan 0.000 0.531 475 K N -0.315 120.108 120.400 0.038 0.000 2.097 475 K HA 0.001 4.321 4.320 0.000 0.000 0.206 475 K C 1.487 178.121 176.600 0.058 0.000 1.049 475 K CA 1.758 58.072 56.287 0.046 0.000 0.933 475 K CB -0.054 32.469 32.500 0.037 0.000 0.717 475 K HN 0.400 nan 8.250 nan 0.000 0.442 476 D N 0.962 121.391 120.400 0.048 0.000 2.319 476 D HA -0.044 4.596 4.640 0.000 0.000 0.230 476 D C -0.147 176.184 176.300 0.052 0.000 1.094 476 D CA 0.210 54.241 54.000 0.051 0.000 0.856 476 D CB -0.059 40.759 40.800 0.030 0.000 0.915 476 D HN 0.101 nan 8.370 nan 0.000 0.517 477 K N 1.073 121.513 120.400 0.066 0.000 2.511 477 K HA 0.161 4.481 4.320 0.000 0.000 0.277 477 K C 0.360 177.016 176.600 0.093 0.000 1.025 477 K CA 0.580 56.919 56.287 0.087 0.000 1.112 477 K CB 0.041 32.610 32.500 0.116 0.000 0.859 477 K HN 0.199 nan 8.250 nan 0.000 0.485 478 G N 1.869 110.690 108.800 0.034 0.000 2.368 478 G HA2 0.306 4.266 3.960 0.000 0.000 0.302 478 G HA3 0.306 4.266 3.960 0.000 0.000 0.302 478 G C -1.302 173.453 174.900 -0.241 0.000 1.329 478 G CA -0.546 44.528 45.100 -0.043 0.000 0.935 478 G HN 0.774 nan 8.290 nan 0.000 0.590 479 A N -0.467 122.173 122.820 -0.302 0.000 2.540 479 A HA 0.528 4.848 4.320 0.000 0.000 0.239 479 A C 1.709 179.176 177.584 -0.195 0.000 1.061 479 A CA 1.585 53.466 52.037 -0.261 0.000 0.758 479 A CB 0.064 18.981 19.000 -0.139 0.000 0.991 479 A HN 2.160 nan 8.150 nan 0.000 0.502 480 T N -0.557 113.904 114.554 -0.154 0.000 3.031 480 T HA 0.400 4.751 4.350 0.000 0.000 0.254 480 T C 1.467 176.083 174.700 -0.141 0.000 1.060 480 T CA 1.101 63.118 62.100 -0.139 0.000 1.135 480 T CB -0.006 68.792 68.868 -0.116 0.000 0.896 480 T HN 2.386 nan 8.240 nan 0.000 0.472 481 G N 1.777 110.505 108.800 -0.120 0.000 2.194 481 G HA2 -0.221 3.739 3.960 0.000 0.000 0.236 481 G HA3 -0.221 3.739 3.960 0.000 0.000 0.236 481 G C 0.186 175.053 174.900 -0.055 0.000 0.987 481 G CA -0.240 44.803 45.100 -0.094 0.000 0.635 481 G HN 0.691 nan 8.290 nan 0.000 0.520 482 R N 1.041 121.507 120.500 -0.057 0.000 2.543 482 R HA 0.424 4.764 4.340 0.000 0.000 0.277 482 R C -2.075 174.204 176.300 -0.036 0.000 1.074 482 R CA -0.753 55.319 56.100 -0.046 0.000 1.076 482 R CB 0.958 31.223 30.300 -0.058 0.000 0.993 482 R HN 0.143 nan 8.270 nan 0.000 0.459 483 P HA 0.104 nan 4.420 nan 0.000 0.253 483 P C 0.509 177.797 177.300 -0.021 0.000 1.863 483 P CA -0.132 62.947 63.100 -0.035 0.000 1.145 483 P CB 0.525 32.195 31.700 -0.049 0.000 1.666 484 V N 1.575 121.481 119.914 -0.012 0.000 2.324 484 V HA -0.167 3.954 4.120 0.000 0.000 0.250 484 V C -0.278 175.817 176.094 0.003 0.000 1.060 484 V CA 2.422 64.723 62.300 0.002 0.000 1.042 484 V CB -2.065 29.766 31.823 0.013 0.000 0.650 484 V HN 0.241 nan 8.190 nan 0.000 0.450 485 P HA -0.169 nan 4.420 nan 0.000 0.214 485 P C 2.074 179.380 177.300 0.011 0.000 1.163 485 P CA 1.544 64.648 63.100 0.008 0.000 0.883 485 P CB -0.080 31.623 31.700 0.006 0.000 0.788 486 L N -1.072 120.152 121.223 0.003 0.000 1.989 486 L HA -0.182 4.158 4.340 0.000 0.000 0.211 486 L C 2.427 179.307 176.870 0.018 0.000 1.071 486 L CA 1.696 56.539 54.840 0.005 0.000 0.749 486 L CB -0.796 41.251 42.059 -0.020 0.000 0.890 486 L HN -0.131 nan 8.230 nan 0.000 0.431 487 L N -0.946 120.278 121.223 0.002 0.000 2.056 487 L HA -0.200 4.141 4.340 0.000 0.000 0.207 487 L C 2.485 179.386 176.870 0.052 0.000 1.078 487 L CA 1.722 56.572 54.840 0.018 0.000 0.749 487 L CB -0.915 41.139 42.059 -0.009 0.000 0.901 487 L HN 0.282 nan 8.230 nan 0.000 0.433 488 T N -1.333 113.230 114.554 0.014 0.000 2.777 488 T HA -0.247 4.104 4.350 0.000 0.000 0.266 488 T C 1.827 176.512 174.700 -0.025 0.000 1.040 488 T CA 1.396 63.486 62.100 -0.015 0.000 1.141 488 T CB -0.132 68.725 68.868 -0.018 0.000 0.868 488 T HN 0.206 nan 8.240 nan 0.000 0.444 489 Q N 0.323 120.128 119.800 0.008 0.000 2.119 489 Q HA -0.118 4.222 4.340 0.000 0.000 0.201 489 Q C 1.909 177.915 176.000 0.010 0.000 0.972 489 Q CA 1.424 57.232 55.803 0.007 0.000 0.847 489 Q CB -0.613 28.148 28.738 0.038 0.000 0.903 489 Q HN 0.710 nan 8.270 nan 0.000 0.433 490 Y N 0.009 120.256 120.300 -0.089 0.000 2.165 490 Y HA -0.186 4.364 4.550 0.000 0.000 0.286 490 Y C 1.514 177.302 175.900 -0.187 0.000 1.155 490 Y CA 1.798 59.830 58.100 -0.114 0.000 1.164 490 Y CB -0.172 38.223 38.460 -0.107 0.000 0.978 490 Y HN 0.164 nan 8.280 nan 0.000 0.513 491 L N -0.543 120.535 121.223 -0.241 0.000 2.056 491 L HA -0.207 4.133 4.340 0.000 0.000 0.207 491 L C 2.494 179.149 176.870 -0.357 0.000 1.078 491 L CA 1.043 55.618 54.840 -0.442 0.000 0.749 491 L CB -0.634 41.269 42.059 -0.261 0.000 0.901 491 L HN 0.292 nan 8.230 nan 0.000 0.433 492 L N -0.260 120.821 121.223 -0.238 0.000 2.043 492 L HA -0.291 4.050 4.340 0.000 0.000 0.212 492 L C 2.288 179.040 176.870 -0.196 0.000 1.075 492 L CA 1.307 56.019 54.840 -0.212 0.000 0.752 492 L CB -0.695 41.232 42.059 -0.220 0.000 0.891 492 L HN 0.322 nan 8.230 nan 0.000 0.432 493 D N -0.376 119.899 120.400 -0.208 0.000 2.097 493 D HA -0.144 4.496 4.640 0.000 0.000 0.195 493 D C 2.368 178.537 176.300 -0.218 0.000 0.989 493 D CA 1.001 54.894 54.000 -0.177 0.000 0.827 493 D CB -0.201 40.511 40.800 -0.148 0.000 0.966 493 D HN 0.191 nan 8.370 nan 0.000 0.456 494 R N 0.680 120.953 120.500 -0.378 0.000 2.115 494 R HA 0.078 4.418 4.340 0.000 0.000 0.230 494 R C 1.847 178.045 176.300 -0.170 0.000 1.111 494 R CA 0.756 56.660 56.100 -0.326 0.000 0.976 494 R CB -0.579 29.324 30.300 -0.663 0.000 0.870 494 R HN 0.109 nan 8.270 nan 0.000 0.445 495 A N 0.345 123.054 122.820 -0.185 0.000 2.251 495 A HA 0.264 4.585 4.320 0.000 0.000 0.209 495 A C 1.213 178.762 177.584 -0.059 0.000 1.187 495 A CA 0.586 52.570 52.037 -0.088 0.000 0.823 495 A CB -0.274 18.673 19.000 -0.088 0.000 0.846 495 A HN 0.377 nan 8.150 nan 0.000 0.486 496 G N -1.047 107.709 108.800 -0.074 0.000 2.341 496 G HA2 0.034 3.995 3.960 0.000 0.000 0.292 496 G HA3 0.034 3.995 3.960 0.000 0.000 0.292 496 G C 0.429 175.303 174.900 -0.043 0.000 1.021 496 G CA 0.751 45.820 45.100 -0.052 0.000 0.905 496 G HN 1.460 nan 8.290 nan 0.000 0.508 497 A N 0.000 122.786 122.820 -0.056 0.000 2.254 497 A HA 0.000 4.320 4.320 0.000 0.000 0.244 497 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 497 A CB 0.000 18.992 19.000 -0.012 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486