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 1a4y_1_D DATA FIRST_RESID 1 DATA SEQUENCE SLDIQSLDIQ CEELSDARWA ELLPLLQQCQ VVRLDDCGLT EARCKDISSA DATA SEQUENCE LRVNPALAEL NLRSNELGDV GVHCVLQGLQ TPSCKIQKLS LQNCCLTGAG DATA SEQUENCE CGVLSSTLRT LPTLQELHLS DNLLGDAGLQ LLCEGLLDPQ CRLEKLQLEY DATA SEQUENCE CSLSAASCEP LASVLRAKPD FKELTVSNND INEAGVRVLC QGLKDSPCQL DATA SEQUENCE EALKLESCGV TSDNCRDLCG IVASKASLRE LALGSNKLGD VGMAELCPGL DATA SEQUENCE LHPSSRLRTL WIWECGITAK GCGDLCRVLR AKESLKELSL AGNELGDEGA DATA SEQUENCE RLLCETLLEP GCQLESLWVK SCSFTAACCS HFSSVLAQNR FLLELQISNN DATA SEQUENCE RLEDAGVREL CQGLGQPGSV LRVLWLADCD VSDSSCSSLA ATLLANHSLR DATA SEQUENCE ELDLSNNCLG DAGILQLVES VRQPGCLLEQ LVLYDIYWSE EMEDRLQALE DATA SEQUENCE KDKPSLRVIS 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.598 174.600 -0.004 0.000 1.055 1 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 2 L N 2.215 123.436 121.223 -0.004 0.000 2.370 2 L HA 0.713 4.942 4.340 -0.185 0.000 0.266 2 L C -1.719 175.147 176.870 -0.005 0.000 1.002 2 L CA -0.621 54.216 54.840 -0.004 0.000 0.818 2 L CB 2.001 44.058 42.059 -0.004 0.000 1.325 2 L HN 0.408 nan 8.230 nan 0.000 0.418 3 D N 3.007 123.403 120.400 -0.007 0.000 2.527 3 D HA 0.348 4.878 4.640 -0.185 0.000 0.242 3 D C -1.102 175.192 176.300 -0.009 0.000 1.285 3 D CA -0.141 53.854 54.000 -0.008 0.000 0.886 3 D CB 0.743 41.538 40.800 -0.009 0.000 1.402 3 D HN 0.300 nan 8.370 nan 0.000 0.528 4 I N 2.086 122.651 120.570 -0.008 0.000 2.336 4 I HA 0.338 4.397 4.170 -0.185 0.000 0.292 4 I C 0.229 176.341 176.117 -0.009 0.000 0.991 4 I CA -0.467 60.828 61.300 -0.008 0.000 1.227 4 I CB 1.458 39.455 38.000 -0.006 0.000 1.366 4 I HN 0.047 nan 8.210 nan 0.000 0.466 5 Q N 4.711 124.504 119.800 -0.011 0.000 2.359 5 Q HA 0.588 4.817 4.340 -0.185 0.000 0.274 5 Q C -1.080 174.913 176.000 -0.012 0.000 1.074 5 Q CA -0.812 54.984 55.803 -0.012 0.000 0.810 5 Q CB 2.982 31.710 28.738 -0.017 0.000 1.342 5 Q HN 0.813 nan 8.270 nan 0.000 0.427 6 S N 1.281 116.975 115.700 -0.010 0.000 2.595 6 S HA 0.826 5.185 4.470 -0.185 0.000 0.281 6 S C -1.567 173.029 174.600 -0.007 0.000 1.117 6 S CA -0.793 57.402 58.200 -0.008 0.000 0.873 6 S CB 1.831 65.029 63.200 -0.004 0.000 1.108 6 S HN 0.472 nan 8.310 nan 0.000 0.477 7 L N 1.796 123.016 121.223 -0.005 0.000 2.439 7 L HA 0.748 4.978 4.340 -0.185 0.000 0.270 7 L C -1.910 174.966 176.870 0.009 0.000 0.972 7 L CA -0.121 54.718 54.840 -0.001 0.000 0.836 7 L CB 1.932 43.984 42.059 -0.010 0.000 1.255 7 L HN 0.923 nan 8.230 nan 0.000 0.404 8 D N 5.733 126.142 120.400 0.014 0.000 2.421 8 D HA 0.419 4.948 4.640 -0.185 0.000 0.254 8 D C -1.273 175.044 176.300 0.027 0.000 1.238 8 D CA 0.009 54.021 54.000 0.021 0.000 0.919 8 D CB 0.920 41.731 40.800 0.019 0.000 1.152 8 D HN 0.532 nan 8.370 nan 0.000 0.552 9 I N 2.728 123.320 120.570 0.037 0.000 2.406 9 I HA 0.319 4.378 4.170 -0.185 0.000 0.290 9 I C -0.196 175.946 176.117 0.042 0.000 0.999 9 I CA -0.622 60.704 61.300 0.043 0.000 1.124 9 I CB 2.062 40.098 38.000 0.060 0.000 1.289 9 I HN 0.182 nan 8.210 nan 0.000 0.441 10 Q N 4.849 124.671 119.800 0.036 0.000 2.337 10 Q HA 0.364 4.593 4.340 -0.185 0.000 0.270 10 Q C -0.774 175.242 176.000 0.028 0.000 1.043 10 Q CA -0.546 55.275 55.803 0.031 0.000 0.794 10 Q CB 1.887 30.642 28.738 0.029 0.000 1.281 10 Q HN 0.904 nan 8.270 nan 0.000 0.446 11 C N 3.499 122.813 119.300 0.023 0.000 3.112 11 C HA -0.175 4.174 4.460 -0.185 0.000 0.265 11 C C -0.451 174.551 174.990 0.021 0.000 1.283 11 C CA 0.783 59.812 59.018 0.018 0.000 2.378 11 C CB -2.139 25.610 27.740 0.015 0.000 1.500 11 C HN 0.721 nan 8.230 nan 0.000 0.483 12 E N 0.501 120.715 120.200 0.024 0.000 2.311 12 E HA 0.298 4.537 4.350 -0.185 0.000 0.281 12 E C -0.272 176.344 176.600 0.027 0.000 0.905 12 E CA -0.559 55.858 56.400 0.028 0.000 0.778 12 E CB 1.520 31.243 29.700 0.038 0.000 1.240 12 E HN 0.619 nan 8.360 nan 0.000 0.410 13 E N 5.382 125.594 120.200 0.019 0.000 2.290 13 E HA 0.085 4.325 4.350 -0.185 0.000 0.277 13 E C -0.066 176.553 176.600 0.032 0.000 1.035 13 E CA -0.074 56.333 56.400 0.011 0.000 0.873 13 E CB 1.263 30.965 29.700 0.002 0.000 1.029 13 E HN 0.550 nan 8.360 nan 0.000 0.419 14 L N 2.782 124.031 121.223 0.043 0.000 2.062 14 L HA -0.038 4.192 4.340 -0.185 0.000 0.202 14 L C 0.729 177.654 176.870 0.092 0.000 1.079 14 L CA 1.227 56.125 54.840 0.097 0.000 0.755 14 L CB -0.475 41.702 42.059 0.196 0.000 0.913 14 L HN 0.959 nan 8.230 nan 0.000 0.445 15 S N -1.167 114.576 115.700 0.072 0.000 2.871 15 S HA -0.131 4.228 4.470 -0.185 0.000 0.854 15 S C 0.106 174.782 174.600 0.128 0.000 0.894 15 S CA -0.088 58.151 58.200 0.066 0.000 1.455 15 S CB -0.972 62.264 63.200 0.060 0.000 1.043 15 S HN 0.366 nan 8.310 nan 0.000 0.226 16 D N 2.322 122.780 120.400 0.096 0.000 2.182 16 D HA -0.033 4.496 4.640 -0.185 0.000 0.201 16 D C 2.282 178.690 176.300 0.180 0.000 0.986 16 D CA 2.011 56.104 54.000 0.154 0.000 0.847 16 D CB -0.893 39.960 40.800 0.087 0.000 0.942 16 D HN 0.899 nan 8.370 nan 0.000 0.467 17 A N 1.165 124.054 122.820 0.115 0.000 1.835 17 A HA -0.208 4.001 4.320 -0.185 0.000 0.215 17 A C 2.242 179.880 177.584 0.090 0.000 1.199 17 A CA 2.082 54.170 52.037 0.085 0.000 0.615 17 A CB -0.606 18.428 19.000 0.056 0.000 0.838 17 A HN 0.187 nan 8.150 nan 0.000 0.444 18 R N -1.274 119.288 120.500 0.103 0.000 2.115 18 R HA -0.157 4.072 4.340 -0.185 0.000 0.230 18 R C 2.111 178.482 176.300 0.118 0.000 1.111 18 R CA 1.529 57.683 56.100 0.090 0.000 0.976 18 R CB -0.559 29.797 30.300 0.093 0.000 0.870 18 R HN 0.792 nan 8.270 nan 0.000 0.445 19 W N 0.901 122.201 121.300 0.001 0.000 2.338 19 W HA -0.244 4.414 4.660 -0.003 0.000 0.304 19 W C 1.569 178.088 176.519 -0.000 0.000 1.212 19 W CA 1.751 59.096 57.345 0.000 0.000 1.264 19 W CB -0.288 29.172 29.460 0.000 0.000 1.142 19 W HN 0.322 nan 8.180 nan 0.000 0.512 20 A N 0.506 123.308 122.820 -0.030 0.000 1.930 20 A HA -0.270 3.940 4.320 -0.185 0.000 0.217 20 A C 1.804 179.287 177.584 -0.168 0.000 1.175 20 A CA 1.987 53.948 52.037 -0.128 0.000 0.627 20 A CB -0.997 18.002 19.000 -0.002 0.000 0.815 20 A HN 0.500 nan 8.150 nan 0.000 0.443 21 E N -0.342 119.794 120.200 -0.108 0.000 2.204 21 E HA -0.044 4.195 4.350 -0.185 0.000 0.194 21 E C 1.790 178.304 176.600 -0.142 0.000 0.989 21 E CA 1.283 57.626 56.400 -0.095 0.000 0.824 21 E CB -0.345 29.328 29.700 -0.045 0.000 0.756 21 E HN 0.451 nan 8.360 nan 0.000 0.477 22 L N 0.007 121.097 121.223 -0.221 0.000 2.307 22 L HA 0.224 4.453 4.340 -0.185 0.000 0.211 22 L C 2.382 179.044 176.870 -0.347 0.000 1.099 22 L CA 0.920 55.608 54.840 -0.253 0.000 0.816 22 L CB -1.195 40.720 42.059 -0.240 0.000 0.952 22 L HN 0.201 nan 8.230 nan 0.000 0.455 23 L N 0.206 121.134 121.223 -0.492 0.000 1.997 23 L HA -0.190 4.039 4.340 -0.185 0.000 0.216 23 L C 0.463 177.189 176.870 -0.240 0.000 1.074 23 L CA 2.125 56.700 54.840 -0.442 0.000 0.763 23 L CB -1.560 40.250 42.059 -0.415 0.000 0.890 23 L HN 0.361 nan 8.230 nan 0.000 0.434 24 P HA -0.172 nan 4.420 nan 0.000 0.221 24 P C 1.645 178.886 177.300 -0.098 0.000 1.145 24 P CA 1.306 64.338 63.100 -0.113 0.000 0.795 24 P CB 0.041 31.687 31.700 -0.090 0.000 0.775 25 L N -1.028 120.127 121.223 -0.113 0.000 2.156 25 L HA -0.038 4.191 4.340 -0.185 0.000 0.208 25 L C 2.606 179.428 176.870 -0.081 0.000 1.095 25 L CA 1.273 56.062 54.840 -0.086 0.000 0.770 25 L CB -1.350 40.657 42.059 -0.086 0.000 0.914 25 L HN -0.118 nan 8.230 nan 0.000 0.439 26 L N -0.870 120.288 121.223 -0.108 0.000 2.353 26 L HA -0.192 4.037 4.340 -0.185 0.000 0.220 26 L C 2.182 179.016 176.870 -0.060 0.000 1.133 26 L CA 0.917 55.707 54.840 -0.084 0.000 0.798 26 L CB -0.526 41.466 42.059 -0.111 0.000 0.922 26 L HN 0.468 nan 8.230 nan 0.000 0.445 27 Q N -0.175 119.588 119.800 -0.063 0.000 2.354 27 Q HA -0.109 4.121 4.340 -0.185 0.000 0.203 27 Q C 1.604 177.582 176.000 -0.036 0.000 0.933 27 Q CA 0.728 56.504 55.803 -0.046 0.000 0.901 27 Q CB 0.257 28.967 28.738 -0.047 0.000 1.007 27 Q HN 0.674 nan 8.270 nan 0.000 0.495 28 Q N -1.380 118.397 119.800 -0.038 0.000 2.185 28 Q HA 0.217 4.446 4.340 -0.185 0.000 0.234 28 Q C 0.309 176.293 176.000 -0.026 0.000 0.819 28 Q CA -0.164 55.621 55.803 -0.030 0.000 0.961 28 Q CB 0.532 29.252 28.738 -0.030 0.000 1.140 28 Q HN 0.061 nan 8.270 nan 0.000 0.492 29 C N 2.183 121.466 119.300 -0.029 0.000 2.601 29 C HA 0.417 4.766 4.460 -0.185 0.000 0.409 29 C C 1.706 176.684 174.990 -0.019 0.000 1.293 29 C CA 0.649 59.653 59.018 -0.023 0.000 2.101 29 C CB 1.077 28.802 27.740 -0.025 0.000 2.639 29 C HN 0.699 nan 8.230 nan 0.000 0.592 30 Q N 1.344 121.135 119.800 -0.015 0.000 2.398 30 Q HA 0.322 4.552 4.340 -0.185 0.000 0.204 30 Q C 0.265 176.257 176.000 -0.014 0.000 0.932 30 Q CA 0.946 56.741 55.803 -0.014 0.000 0.916 30 Q CB 0.106 28.837 28.738 -0.011 0.000 1.024 30 Q HN 0.710 nan 8.270 nan 0.000 0.504 31 V N 0.392 120.299 119.914 -0.013 0.000 2.623 31 V HA 0.595 4.604 4.120 -0.185 0.000 0.304 31 V C -1.196 174.893 176.094 -0.009 0.000 1.054 31 V CA -0.850 61.444 62.300 -0.011 0.000 0.882 31 V CB 2.136 33.954 31.823 -0.008 0.000 1.002 31 V HN 0.192 nan 8.190 nan 0.000 0.424 32 V N 5.316 125.227 119.914 -0.006 0.000 2.482 32 V HA 0.586 4.596 4.120 -0.185 0.000 0.295 32 V C -0.260 175.840 176.094 0.010 0.000 1.026 32 V CA -0.659 61.642 62.300 0.002 0.000 0.856 32 V CB 1.949 33.774 31.823 0.003 0.000 1.001 32 V HN 0.854 nan 8.190 nan 0.000 0.424 33 R N 5.104 125.615 120.500 0.018 0.000 2.435 33 R HA 0.674 4.903 4.340 -0.185 0.000 0.308 33 R C -1.624 174.701 176.300 0.041 0.000 0.975 33 R CA -0.603 55.511 56.100 0.024 0.000 0.867 33 R CB 1.209 31.520 30.300 0.018 0.000 1.171 33 R HN 0.730 nan 8.270 nan 0.000 0.470 34 L N 4.435 125.690 121.223 0.053 0.000 2.445 34 L HA 0.283 4.513 4.340 -0.185 0.000 0.252 34 L C -0.718 176.184 176.870 0.052 0.000 1.105 34 L CA -0.675 54.210 54.840 0.074 0.000 0.943 34 L CB 1.324 43.456 42.059 0.121 0.000 1.277 34 L HN 0.520 nan 8.230 nan 0.000 0.465 35 D N 2.917 123.342 120.400 0.042 0.000 2.347 35 D HA 0.073 4.602 4.640 -0.185 0.000 0.235 35 D C 0.215 176.530 176.300 0.025 0.000 1.149 35 D CA 0.131 54.150 54.000 0.031 0.000 0.850 35 D CB 0.855 41.673 40.800 0.030 0.000 1.061 35 D HN 0.393 nan 8.370 nan 0.000 0.487 36 D N 2.891 123.301 120.400 0.016 0.000 2.746 36 D HA -0.208 4.322 4.640 -0.185 0.000 0.241 36 D C -0.195 176.110 176.300 0.008 0.000 1.140 36 D CA 0.355 54.359 54.000 0.006 0.000 0.707 36 D CB -1.265 39.538 40.800 0.006 0.000 1.034 36 D HN 0.376 nan 8.370 nan 0.000 0.423 37 C N 0.398 119.702 119.300 0.006 0.000 2.994 37 C HA 0.659 5.008 4.460 -0.185 0.000 0.284 37 C C 1.680 176.651 174.990 -0.032 0.000 1.404 37 C CA -0.124 58.899 59.018 0.008 0.000 1.775 37 C CB -0.355 27.412 27.740 0.045 0.000 2.458 37 C HN 0.927 nan 8.230 nan 0.000 0.593 38 G N 2.006 110.780 108.800 -0.043 0.000 2.350 38 G HA2 -0.241 3.608 3.960 -0.185 0.000 0.298 38 G HA3 -0.241 3.608 3.960 -0.185 0.000 0.298 38 G C -0.244 174.580 174.900 -0.126 0.000 1.037 38 G CA -0.098 44.960 45.100 -0.070 0.000 1.074 38 G HN 0.629 nan 8.290 nan 0.000 0.511 39 L N 0.873 122.019 121.223 -0.130 0.000 2.305 39 L HA 0.444 4.673 4.340 -0.185 0.000 0.281 39 L C 1.337 178.110 176.870 -0.161 0.000 1.085 39 L CA -0.348 54.368 54.840 -0.207 0.000 0.813 39 L CB 0.926 42.892 42.059 -0.155 0.000 1.157 39 L HN 0.415 nan 8.230 nan 0.000 0.436 40 T N -0.926 113.508 114.554 -0.199 0.000 2.888 40 T HA 0.104 4.343 4.350 -0.185 0.000 0.283 40 T C 0.830 175.468 174.700 -0.103 0.000 1.013 40 T CA -0.752 61.270 62.100 -0.130 0.000 0.938 40 T CB 1.252 70.042 68.868 -0.129 0.000 1.298 40 T HN 0.564 nan 8.240 nan 0.000 0.580 41 E N -0.102 120.059 120.200 -0.066 0.000 2.427 41 E HA 0.015 4.254 4.350 -0.185 0.000 0.196 41 E C 1.897 178.476 176.600 -0.035 0.000 1.028 41 E CA 0.410 56.788 56.400 -0.036 0.000 0.864 41 E CB -0.147 29.544 29.700 -0.016 0.000 0.813 41 E HN 0.650 nan 8.360 nan 0.000 0.514 42 A N 1.278 124.059 122.820 -0.064 0.000 1.878 42 A HA -0.047 4.162 4.320 -0.185 0.000 0.213 42 A C 2.072 179.621 177.584 -0.057 0.000 1.192 42 A CA 0.545 52.550 52.037 -0.054 0.000 0.619 42 A CB -0.199 18.758 19.000 -0.071 0.000 0.837 42 A HN 0.111 nan 8.150 nan 0.000 0.446 43 R N -0.743 119.656 120.500 -0.168 0.000 2.285 43 R HA -0.057 4.172 4.340 -0.185 0.000 0.213 43 R C 1.801 178.112 176.300 0.017 0.000 1.068 43 R CA 0.965 56.933 56.100 -0.220 0.000 1.004 43 R CB -0.683 29.138 30.300 -0.797 0.000 0.873 43 R HN 0.563 nan 8.270 nan 0.000 0.467 44 C N 1.181 120.478 119.300 -0.006 0.000 2.450 44 C HA -0.002 4.347 4.460 -0.185 0.000 0.279 44 C C 2.285 177.314 174.990 0.065 0.000 1.335 44 C CA 0.528 59.569 59.018 0.039 0.000 1.749 44 C CB -0.347 27.400 27.740 0.012 0.000 1.963 44 C HN 0.447 nan 8.230 nan 0.000 0.501 45 K N 0.867 121.303 120.400 0.062 0.000 2.103 45 K HA -0.098 4.111 4.320 -0.185 0.000 0.204 45 K C 1.244 177.901 176.600 0.095 0.000 1.052 45 K CA 1.289 57.613 56.287 0.061 0.000 0.945 45 K CB -0.398 32.132 32.500 0.051 0.000 0.722 45 K HN 0.423 nan 8.250 nan 0.000 0.443 46 D N 1.403 121.903 120.400 0.166 0.000 2.117 46 D HA -0.074 4.456 4.640 -0.185 0.000 0.198 46 D C 1.991 178.399 176.300 0.181 0.000 0.982 46 D CA 0.850 54.982 54.000 0.220 0.000 0.828 46 D CB -0.242 40.840 40.800 0.469 0.000 0.967 46 D HN 0.131 nan 8.370 nan 0.000 0.464 47 I N 0.148 120.856 120.570 0.229 0.000 2.179 47 I HA -0.247 3.812 4.170 -0.185 0.000 0.242 47 I C 2.447 178.609 176.117 0.074 0.000 1.088 47 I CA 0.856 62.254 61.300 0.163 0.000 1.357 47 I CB -0.176 37.935 38.000 0.185 0.000 1.051 47 I HN -0.074 nan 8.210 nan 0.000 0.409 48 S N -0.142 115.592 115.700 0.057 0.000 2.383 48 S HA -0.193 4.166 4.470 -0.185 0.000 0.229 48 S C 2.249 176.856 174.600 0.012 0.000 1.030 48 S CA 1.927 60.138 58.200 0.019 0.000 1.002 48 S CB -0.147 63.053 63.200 0.000 0.000 0.829 48 S HN 0.388 nan 8.310 nan 0.000 0.467 49 S N 0.913 116.627 115.700 0.023 0.000 2.356 49 S HA 0.010 4.369 4.470 -0.185 0.000 0.223 49 S C 2.178 176.778 174.600 0.000 0.000 1.032 49 S CA 1.127 59.335 58.200 0.013 0.000 1.005 49 S CB -0.541 62.672 63.200 0.022 0.000 0.867 49 S HN 0.675 nan 8.310 nan 0.000 0.449 50 A N 1.115 123.933 122.820 -0.003 0.000 1.929 50 A HA 0.097 4.306 4.320 -0.185 0.000 0.216 50 A C 2.092 179.665 177.584 -0.018 0.000 1.176 50 A CA 0.862 52.885 52.037 -0.023 0.000 0.628 50 A CB -0.626 18.345 19.000 -0.048 0.000 0.816 50 A HN 0.438 nan 8.150 nan 0.000 0.444 51 L N -0.143 121.076 121.223 -0.008 0.000 2.046 51 L HA -0.221 4.008 4.340 -0.185 0.000 0.208 51 L C 2.826 179.690 176.870 -0.011 0.000 1.077 51 L CA 1.903 56.738 54.840 -0.008 0.000 0.747 51 L CB -0.491 41.567 42.059 -0.001 0.000 0.896 51 L HN 0.614 nan 8.230 nan 0.000 0.432 52 R N 0.601 121.095 120.500 -0.010 0.000 2.285 52 R HA -0.072 4.157 4.340 -0.185 0.000 0.213 52 R C 1.505 177.798 176.300 -0.011 0.000 1.068 52 R CA 1.366 57.459 56.100 -0.011 0.000 1.004 52 R CB -0.429 29.864 30.300 -0.011 0.000 0.873 52 R HN 0.396 nan 8.270 nan 0.000 0.467 53 V N -1.723 118.183 119.914 -0.013 0.000 3.483 53 V HA 0.217 4.226 4.120 -0.185 0.000 0.301 53 V C -0.075 176.010 176.094 -0.016 0.000 1.389 53 V CA -0.558 61.734 62.300 -0.013 0.000 1.101 53 V CB -0.198 31.616 31.823 -0.015 0.000 0.971 53 V HN 0.181 nan 8.190 nan 0.000 0.434 54 N N 2.809 121.499 118.700 -0.016 0.000 2.462 54 N HA 0.412 5.041 4.740 -0.185 0.000 0.242 54 N C -1.406 174.096 175.510 -0.014 0.000 1.010 54 N CA -1.956 51.083 53.050 -0.018 0.000 0.939 54 N CB 1.990 40.465 38.487 -0.020 0.000 1.127 54 N HN 0.243 nan 8.380 nan 0.000 0.509 55 P HA 0.089 nan 4.420 nan 0.000 0.234 55 P C 0.761 178.054 177.300 -0.011 0.000 1.175 55 P CA 0.313 63.407 63.100 -0.011 0.000 0.801 55 P CB 0.405 32.099 31.700 -0.010 0.000 0.891 56 A N 0.519 123.331 122.820 -0.013 0.000 1.930 56 A HA -0.048 4.161 4.320 -0.185 0.000 0.217 56 A C 1.233 178.809 177.584 -0.013 0.000 1.175 56 A CA 0.201 52.230 52.037 -0.013 0.000 0.627 56 A CB -1.530 17.461 19.000 -0.014 0.000 0.815 56 A HN 0.205 nan 8.150 nan 0.000 0.443 57 L N 0.187 121.402 121.223 -0.014 0.000 2.848 57 L HA -0.007 4.222 4.340 -0.185 0.000 0.286 57 L C 1.212 178.073 176.870 -0.015 0.000 1.150 57 L CA 0.828 55.659 54.840 -0.014 0.000 0.958 57 L CB 0.235 42.286 42.059 -0.014 0.000 1.322 57 L HN 0.305 nan 8.230 nan 0.000 0.469 58 A N 4.066 126.876 122.820 -0.016 0.000 2.127 58 A HA 0.233 4.442 4.320 -0.185 0.000 0.204 58 A C 0.627 178.196 177.584 -0.025 0.000 1.243 58 A CA 0.243 52.269 52.037 -0.018 0.000 0.887 58 A CB 0.107 19.097 19.000 -0.016 0.000 0.933 58 A HN 0.678 nan 8.150 nan 0.000 0.479 59 E N -0.287 119.898 120.200 -0.025 0.000 2.290 59 E HA 0.528 4.767 4.350 -0.185 0.000 0.274 59 E C -2.294 174.288 176.600 -0.029 0.000 0.889 59 E CA -0.632 55.748 56.400 -0.035 0.000 0.760 59 E CB 1.641 31.319 29.700 -0.037 0.000 1.206 59 E HN 0.123 nan 8.360 nan 0.000 0.419 60 L N 4.590 125.791 121.223 -0.036 0.000 2.376 60 L HA 0.546 4.776 4.340 -0.185 0.000 0.275 60 L C -1.753 175.097 176.870 -0.033 0.000 0.987 60 L CA -0.447 54.380 54.840 -0.023 0.000 0.828 60 L CB 1.627 43.678 42.059 -0.014 0.000 1.249 60 L HN 0.535 nan 8.230 nan 0.000 0.409 61 N N 5.467 124.157 118.700 -0.017 0.000 2.491 61 N HA 0.364 4.993 4.740 -0.185 0.000 0.274 61 N C -0.809 174.707 175.510 0.011 0.000 1.023 61 N CA -0.295 52.745 53.050 -0.016 0.000 0.902 61 N CB 1.266 39.742 38.487 -0.018 0.000 1.267 61 N HN 0.763 nan 8.380 nan 0.000 0.503 62 L N 2.152 123.384 121.223 0.015 0.000 2.965 62 L HA 0.340 4.569 4.340 -0.185 0.000 0.254 62 L C 1.229 178.114 176.870 0.025 0.000 1.220 62 L CA -0.438 54.418 54.840 0.027 0.000 1.023 62 L CB 0.039 42.114 42.059 0.027 0.000 1.355 62 L HN 0.342 nan 8.230 nan 0.000 0.545 63 R N 1.212 121.728 120.500 0.027 0.000 2.587 63 R HA -0.111 4.118 4.340 -0.185 0.000 0.268 63 R C 0.258 176.571 176.300 0.020 0.000 0.978 63 R CA 0.843 56.961 56.100 0.031 0.000 1.097 63 R CB 0.308 30.631 30.300 0.039 0.000 0.917 63 R HN 0.343 nan 8.270 nan 0.000 0.414 64 S N 2.461 118.170 115.700 0.014 0.000 3.572 64 S HA -0.164 4.195 4.470 -0.185 0.000 0.394 64 S C -0.966 173.632 174.600 -0.003 0.000 0.923 64 S CA 0.789 58.990 58.200 0.002 0.000 1.291 64 S CB -1.067 62.133 63.200 -0.000 0.000 0.914 64 S HN 0.736 nan 8.310 nan 0.000 0.545 65 N N 0.948 119.645 118.700 -0.005 0.000 2.264 65 N HA 0.153 4.782 4.740 -0.185 0.000 0.288 65 N C -0.743 174.757 175.510 -0.018 0.000 1.094 65 N CA -0.683 52.358 53.050 -0.016 0.000 0.817 65 N CB 1.301 39.778 38.487 -0.017 0.000 1.604 65 N HN 0.332 nan 8.380 nan 0.000 0.473 66 E N 2.370 122.554 120.200 -0.027 0.000 1.858 66 E HA 0.083 4.322 4.350 -0.185 0.000 0.278 66 E C 0.818 177.404 176.600 -0.024 0.000 1.172 66 E CA 0.053 56.438 56.400 -0.024 0.000 1.127 66 E CB 0.105 29.787 29.700 -0.030 0.000 1.084 66 E HN 0.426 nan 8.360 nan 0.000 0.455 67 L N 0.737 121.952 121.223 -0.013 0.000 2.130 67 L HA 0.142 4.372 4.340 -0.185 0.000 0.200 67 L C 1.261 178.132 176.870 0.002 0.000 1.075 67 L CA 0.763 55.599 54.840 -0.007 0.000 0.768 67 L CB -0.496 41.565 42.059 0.004 0.000 0.933 67 L HN 0.584 nan 8.230 nan 0.000 0.451 68 G N 0.286 109.091 108.800 0.008 0.000 2.795 68 G HA2 -0.232 3.617 3.960 -0.185 0.000 0.664 68 G HA3 -0.232 3.617 3.960 -0.185 0.000 0.664 68 G C -0.147 174.768 174.900 0.026 0.000 1.381 68 G CA -0.123 44.985 45.100 0.012 0.000 0.853 68 G HN 0.211 nan 8.290 nan 0.000 0.545 69 D N -0.440 119.975 120.400 0.025 0.000 2.218 69 D HA -0.103 4.426 4.640 -0.185 0.000 0.204 69 D C 2.692 179.028 176.300 0.060 0.000 0.976 69 D CA 1.920 55.941 54.000 0.036 0.000 0.853 69 D CB -0.231 40.579 40.800 0.017 0.000 0.939 69 D HN 0.710 nan 8.370 nan 0.000 0.481 70 V N -0.409 119.533 119.914 0.048 0.000 2.239 70 V HA 0.013 4.023 4.120 -0.185 0.000 0.242 70 V C 2.522 178.672 176.094 0.094 0.000 1.038 70 V CA 1.849 64.191 62.300 0.070 0.000 1.002 70 V CB -1.525 30.321 31.823 0.037 0.000 0.641 70 V HN 0.127 nan 8.190 nan 0.000 0.449 71 G N -0.071 108.759 108.800 0.051 0.000 2.450 71 G HA2 -0.174 3.675 3.960 -0.185 0.000 0.220 71 G HA3 -0.174 3.675 3.960 -0.185 0.000 0.220 71 G C 1.562 176.487 174.900 0.041 0.000 1.130 71 G CA 1.330 46.452 45.100 0.036 0.000 0.760 71 G HN 0.427 nan 8.290 nan 0.000 0.557 72 V N 0.141 120.087 119.914 0.054 0.000 2.591 72 V HA -0.098 3.912 4.120 -0.185 0.000 0.249 72 V C 2.321 178.455 176.094 0.066 0.000 1.053 72 V CA 1.961 64.291 62.300 0.050 0.000 1.068 72 V CB -0.366 31.488 31.823 0.052 0.000 0.689 72 V HN 0.609 nan 8.190 nan 0.000 0.462 73 H N -1.016 118.061 119.070 0.011 0.000 2.389 73 H HA -0.156 4.290 4.556 -0.182 0.000 0.299 73 H C 2.238 177.575 175.328 0.014 0.000 1.081 73 H CA 2.221 58.276 56.048 0.012 0.000 1.345 73 H CB -0.452 29.316 29.762 0.010 0.000 1.393 73 H HN 0.374 nan 8.280 nan 0.000 0.520 74 C N -0.787 118.471 119.300 -0.071 0.000 2.462 74 C HA -0.099 4.250 4.460 -0.185 0.000 0.278 74 C C 2.932 177.866 174.990 -0.095 0.000 1.253 74 C CA 1.092 60.050 59.018 -0.100 0.000 1.713 74 C CB -0.930 26.809 27.740 -0.002 0.000 2.049 74 C HN 0.515 nan 8.230 nan 0.000 0.477 75 V N 0.867 120.757 119.914 -0.041 0.000 2.332 75 V HA -0.238 3.771 4.120 -0.185 0.000 0.248 75 V C 2.298 178.366 176.094 -0.043 0.000 1.055 75 V CA 1.933 64.221 62.300 -0.020 0.000 1.038 75 V CB -0.639 31.187 31.823 0.006 0.000 0.651 75 V HN 0.557 nan 8.190 nan 0.000 0.450 76 L N -0.719 120.466 121.223 -0.063 0.000 2.079 76 L HA -0.254 3.975 4.340 -0.185 0.000 0.210 76 L C 2.697 179.512 176.870 -0.090 0.000 1.081 76 L CA 1.580 56.383 54.840 -0.062 0.000 0.752 76 L CB -0.563 41.469 42.059 -0.044 0.000 0.896 76 L HN 0.405 nan 8.230 nan 0.000 0.433 77 Q N -0.374 119.328 119.800 -0.164 0.000 2.096 77 Q HA -0.192 4.037 4.340 -0.185 0.000 0.204 77 Q C 2.221 178.177 176.000 -0.074 0.000 0.982 77 Q CA 1.553 57.268 55.803 -0.147 0.000 0.850 77 Q CB -0.372 28.244 28.738 -0.203 0.000 0.901 77 Q HN 0.635 nan 8.270 nan 0.000 0.422 78 G N 0.661 109.427 108.800 -0.058 0.000 2.479 78 G HA2 -0.187 3.662 3.960 -0.185 0.000 0.220 78 G HA3 -0.187 3.662 3.960 -0.185 0.000 0.220 78 G C 1.135 176.021 174.900 -0.024 0.000 1.115 78 G CA 0.457 45.538 45.100 -0.030 0.000 0.757 78 G HN 0.245 nan 8.290 nan 0.000 0.560 79 L N -0.277 120.931 121.223 -0.026 0.000 2.629 79 L HA 0.249 4.479 4.340 -0.185 0.000 0.230 79 L C 2.137 178.998 176.870 -0.016 0.000 1.151 79 L CA -0.070 54.759 54.840 -0.018 0.000 0.924 79 L CB 0.304 42.354 42.059 -0.015 0.000 1.137 79 L HN 0.058 nan 8.230 nan 0.000 0.457 80 Q N 0.411 120.199 119.800 -0.020 0.000 2.444 80 Q HA 0.016 4.245 4.340 -0.185 0.000 0.206 80 Q C 0.743 176.738 176.000 -0.008 0.000 0.948 80 Q CA 0.266 56.061 55.803 -0.014 0.000 0.946 80 Q CB 0.048 28.775 28.738 -0.019 0.000 1.027 80 Q HN 0.458 nan 8.270 nan 0.000 0.513 81 T N -1.869 112.679 114.554 -0.009 0.000 2.907 81 T HA 0.232 4.472 4.350 -0.185 0.000 0.298 81 T C -2.053 172.644 174.700 -0.004 0.000 1.017 81 T CA -1.684 60.413 62.100 -0.006 0.000 1.118 81 T CB 1.144 70.008 68.868 -0.007 0.000 0.948 81 T HN -0.053 nan 8.240 nan 0.000 0.531 82 P HA 0.070 nan 4.420 nan 0.000 0.251 82 P C 0.945 178.244 177.300 -0.002 0.000 1.251 82 P CA 0.119 63.218 63.100 -0.001 0.000 0.763 82 P CB -0.175 31.525 31.700 0.000 0.000 1.067 83 S N -3.498 112.200 115.700 -0.004 0.000 2.523 83 S HA 0.053 4.412 4.470 -0.185 0.000 0.217 83 S C 0.775 175.371 174.600 -0.006 0.000 0.996 83 S CA -0.384 57.813 58.200 -0.005 0.000 0.921 83 S CB -1.000 62.197 63.200 -0.006 0.000 0.829 83 S HN 0.140 nan 8.310 nan 0.000 0.495 84 C N 4.373 123.670 119.300 -0.006 0.000 2.648 84 C HA 0.381 4.730 4.460 -0.185 0.000 0.415 84 C C 1.003 175.989 174.990 -0.006 0.000 1.366 84 C CA -0.237 58.777 59.018 -0.007 0.000 1.756 84 C CB -0.550 27.186 27.740 -0.007 0.000 2.549 84 C HN 0.579 nan 8.230 nan 0.000 0.597 85 K N 5.700 126.096 120.400 -0.008 0.000 2.792 85 K HA 0.198 4.407 4.320 -0.185 0.000 0.207 85 K C 0.035 176.629 176.600 -0.010 0.000 1.103 85 K CA -0.378 55.904 56.287 -0.007 0.000 1.048 85 K CB 0.167 32.663 32.500 -0.007 0.000 0.777 85 K HN 0.746 nan 8.250 nan 0.000 0.468 86 I N 1.650 122.213 120.570 -0.011 0.000 2.775 86 I HA -0.213 3.846 4.170 -0.185 0.000 0.290 86 I C 0.672 176.779 176.117 -0.018 0.000 1.203 86 I CA 0.803 62.094 61.300 -0.016 0.000 1.433 86 I CB 0.760 38.750 38.000 -0.016 0.000 1.354 86 I HN 0.303 nan 8.210 nan 0.000 0.579 87 Q N 5.001 124.787 119.800 -0.024 0.000 2.369 87 Q HA 0.286 4.515 4.340 -0.185 0.000 0.254 87 Q C -0.246 175.729 176.000 -0.041 0.000 0.858 87 Q CA 0.143 55.930 55.803 -0.027 0.000 0.961 87 Q CB 0.617 29.340 28.738 -0.024 0.000 1.119 87 Q HN 0.453 nan 8.270 nan 0.000 0.538 88 K N 0.972 121.339 120.400 -0.055 0.000 2.471 88 K HA 0.457 4.666 4.320 -0.185 0.000 0.252 88 K C -2.026 174.510 176.600 -0.107 0.000 0.938 88 K CA -0.701 55.529 56.287 -0.094 0.000 0.796 88 K CB 1.804 34.241 32.500 -0.105 0.000 1.161 88 K HN -0.023 nan 8.250 nan 0.000 0.425 89 L N 2.037 123.181 121.223 -0.133 0.000 2.436 89 L HA 0.487 4.716 4.340 -0.185 0.000 0.268 89 L C -1.346 175.429 176.870 -0.158 0.000 0.974 89 L CA -0.067 54.709 54.840 -0.107 0.000 0.826 89 L CB 2.119 44.150 42.059 -0.047 0.000 1.291 89 L HN 0.524 nan 8.230 nan 0.000 0.406 90 S N 5.209 120.833 115.700 -0.126 0.000 2.561 90 S HA 0.659 5.018 4.470 -0.185 0.000 0.303 90 S C -0.546 174.057 174.600 0.005 0.000 1.110 90 S CA -0.524 57.627 58.200 -0.082 0.000 1.034 90 S CB 0.848 63.980 63.200 -0.113 0.000 1.010 90 S HN 0.718 nan 8.310 nan 0.000 0.482 91 L N 4.166 125.418 121.223 0.047 0.000 3.255 91 L HA 0.391 4.621 4.340 -0.185 0.000 0.293 91 L C 0.503 177.408 176.870 0.059 0.000 1.302 91 L CA -0.247 54.620 54.840 0.044 0.000 0.977 91 L CB 0.590 42.673 42.059 0.040 0.000 1.390 91 L HN 0.678 nan 8.230 nan 0.000 0.588 92 Q N 1.273 121.119 119.800 0.077 0.000 2.330 92 Q HA -0.041 4.188 4.340 -0.185 0.000 0.279 92 Q C 0.584 176.611 176.000 0.044 0.000 1.024 92 Q CA 0.280 56.128 55.803 0.076 0.000 0.900 92 Q CB 0.383 29.180 28.738 0.099 0.000 1.221 92 Q HN 0.290 nan 8.270 nan 0.000 0.396 93 N N 2.554 121.274 118.700 0.032 0.000 2.688 93 N HA -0.205 4.424 4.740 -0.185 0.000 0.258 93 N C -1.161 174.355 175.510 0.010 0.000 1.016 93 N CA 0.663 53.718 53.050 0.010 0.000 0.747 93 N CB -1.261 37.222 38.487 -0.007 0.000 0.895 93 N HN 0.609 nan 8.380 nan 0.000 0.543 94 C N -0.416 118.894 119.300 0.017 0.000 3.104 94 C HA 0.344 4.693 4.460 -0.185 0.000 0.284 94 C C 1.209 176.205 174.990 0.010 0.000 1.326 94 C CA 0.232 59.258 59.018 0.013 0.000 1.725 94 C CB -1.627 26.126 27.740 0.021 0.000 2.156 94 C HN 0.849 nan 8.230 nan 0.000 0.638 95 C N 0.688 119.993 119.300 0.009 0.000 4.507 95 C HA -0.143 4.206 4.460 -0.185 0.000 0.285 95 C C 0.340 175.338 174.990 0.014 0.000 1.335 95 C CA -0.150 58.872 59.018 0.007 0.000 1.953 95 C CB -2.899 24.841 27.740 0.000 0.000 1.262 95 C HN 0.684 nan 8.230 nan 0.000 0.776 96 L N 1.782 123.018 121.223 0.021 0.000 2.360 96 L HA 0.442 4.671 4.340 -0.185 0.000 0.276 96 L C 1.158 178.042 176.870 0.024 0.000 1.121 96 L CA 1.300 56.156 54.840 0.026 0.000 0.845 96 L CB 1.466 43.545 42.059 0.034 0.000 1.143 96 L HN 0.677 nan 8.230 nan 0.000 0.452 97 T N 0.510 115.077 114.554 0.020 0.000 2.889 97 T HA 0.379 4.618 4.350 -0.185 0.000 0.278 97 T C 1.206 175.917 174.700 0.019 0.000 0.995 97 T CA -0.023 62.087 62.100 0.018 0.000 0.966 97 T CB 1.480 70.355 68.868 0.011 0.000 1.237 97 T HN 0.602 nan 8.240 nan 0.000 0.591 98 G N -0.282 108.527 108.800 0.016 0.000 2.443 98 G HA2 0.107 3.956 3.960 -0.185 0.000 0.219 98 G HA3 0.107 3.956 3.960 -0.185 0.000 0.219 98 G C 1.703 176.609 174.900 0.011 0.000 1.131 98 G CA 0.708 45.817 45.100 0.015 0.000 0.775 98 G HN 1.083 nan 8.290 nan 0.000 0.547 99 A N 0.659 123.483 122.820 0.007 0.000 2.019 99 A HA 0.210 4.420 4.320 -0.185 0.000 0.219 99 A C 2.506 180.091 177.584 0.002 0.000 1.164 99 A CA 1.816 53.853 52.037 0.000 0.000 0.644 99 A CB -0.538 18.459 19.000 -0.006 0.000 0.805 99 A HN 0.474 nan 8.150 nan 0.000 0.449 100 G N -1.992 106.815 108.800 0.011 0.000 2.880 100 G HA2 0.028 3.877 3.960 -0.185 0.000 0.209 100 G HA3 0.028 3.877 3.960 -0.185 0.000 0.209 100 G C 1.083 176.002 174.900 0.032 0.000 1.157 100 G CA 0.850 45.964 45.100 0.022 0.000 0.779 100 G HN 0.493 nan 8.290 nan 0.000 0.539 101 C N 0.814 120.130 119.300 0.027 0.000 2.491 101 C HA 0.184 4.533 4.460 -0.185 0.000 0.277 101 C C 2.916 177.923 174.990 0.030 0.000 1.455 101 C CA 0.204 59.240 59.018 0.031 0.000 1.758 101 C CB -0.843 26.913 27.740 0.027 0.000 1.745 101 C HN 0.488 nan 8.230 nan 0.000 0.558 102 G N 0.869 109.683 108.800 0.024 0.000 2.394 102 G HA2 -0.108 3.741 3.960 -0.185 0.000 0.214 102 G HA3 -0.108 3.741 3.960 -0.185 0.000 0.214 102 G C 1.611 176.533 174.900 0.036 0.000 1.176 102 G CA 1.274 46.386 45.100 0.021 0.000 0.786 102 G HN 0.381 nan 8.290 nan 0.000 0.533 103 V N 0.913 120.858 119.914 0.053 0.000 2.343 103 V HA -0.108 3.901 4.120 -0.185 0.000 0.247 103 V C 2.821 178.961 176.094 0.078 0.000 1.051 103 V CA 1.267 63.626 62.300 0.097 0.000 1.036 103 V CB -0.573 31.362 31.823 0.187 0.000 0.654 103 V HN 0.293 nan 8.190 nan 0.000 0.451 104 L N 0.130 121.391 121.223 0.063 0.000 2.046 104 L HA -0.189 4.040 4.340 -0.185 0.000 0.208 104 L C 2.785 179.682 176.870 0.045 0.000 1.077 104 L CA 1.937 56.808 54.840 0.052 0.000 0.747 104 L CB -0.431 41.657 42.059 0.049 0.000 0.896 104 L HN 0.444 nan 8.230 nan 0.000 0.432 105 S N -1.217 114.507 115.700 0.041 0.000 2.382 105 S HA -0.184 4.176 4.470 -0.185 0.000 0.228 105 S C 2.149 176.770 174.600 0.034 0.000 1.027 105 S CA 1.787 60.008 58.200 0.035 0.000 0.991 105 S CB -0.049 63.168 63.200 0.028 0.000 0.823 105 S HN 0.432 nan 8.310 nan 0.000 0.469 106 S N 0.569 116.292 115.700 0.038 0.000 2.355 106 S HA -0.056 4.303 4.470 -0.185 0.000 0.222 106 S C 2.006 176.628 174.600 0.036 0.000 1.031 106 S CA 1.693 59.916 58.200 0.038 0.000 0.993 106 S CB -0.749 62.480 63.200 0.048 0.000 0.859 106 S HN 0.711 nan 8.310 nan 0.000 0.453 107 T N 3.080 117.657 114.554 0.039 0.000 2.821 107 T HA 0.082 4.322 4.350 -0.185 0.000 0.267 107 T C 1.759 176.475 174.700 0.027 0.000 1.046 107 T CA 0.748 62.866 62.100 0.029 0.000 1.139 107 T CB -0.443 68.441 68.868 0.026 0.000 0.871 107 T HN 0.228 nan 8.240 nan 0.000 0.454 108 L N 1.085 122.327 121.223 0.032 0.000 2.137 108 L HA -0.205 4.024 4.340 -0.185 0.000 0.213 108 L C 2.662 179.552 176.870 0.032 0.000 1.085 108 L CA 1.549 56.410 54.840 0.035 0.000 0.760 108 L CB -0.564 41.521 42.059 0.044 0.000 0.893 108 L HN 0.371 nan 8.230 nan 0.000 0.434 109 R N -0.878 119.639 120.500 0.029 0.000 2.276 109 R HA -0.042 4.187 4.340 -0.185 0.000 0.203 109 R C 1.660 177.973 176.300 0.021 0.000 1.017 109 R CA 1.260 57.375 56.100 0.025 0.000 1.010 109 R CB -0.560 29.754 30.300 0.023 0.000 0.900 109 R HN 0.340 nan 8.270 nan 0.000 0.469 110 T N -1.556 113.010 114.554 0.020 0.000 3.176 110 T HA 0.316 4.555 4.350 -0.185 0.000 0.263 110 T C 0.327 175.034 174.700 0.012 0.000 1.021 110 T CA -0.380 61.729 62.100 0.015 0.000 0.905 110 T CB 0.139 69.015 68.868 0.014 0.000 1.057 110 T HN 0.074 nan 8.240 nan 0.000 0.558 111 L N 2.270 123.501 121.223 0.014 0.000 2.529 111 L HA 0.379 4.608 4.340 -0.185 0.000 0.246 111 L C -1.833 175.044 176.870 0.013 0.000 1.394 111 L CA -1.927 52.919 54.840 0.011 0.000 0.906 111 L CB 1.757 43.822 42.059 0.009 0.000 1.170 111 L HN -0.042 nan 8.230 nan 0.000 0.501 112 P HA -0.134 nan 4.420 nan 0.000 0.225 112 P C 1.275 178.580 177.300 0.009 0.000 1.148 112 P CA 1.151 64.259 63.100 0.013 0.000 0.779 112 P CB 0.049 31.756 31.700 0.012 0.000 0.780 113 T N -3.075 111.481 114.554 0.004 0.000 3.035 113 T HA 0.043 4.282 4.350 -0.185 0.000 0.259 113 T C 0.911 175.608 174.700 -0.005 0.000 1.078 113 T CA -0.264 61.835 62.100 -0.001 0.000 1.132 113 T CB -0.921 67.945 68.868 -0.004 0.000 0.900 113 T HN -0.052 nan 8.240 nan 0.000 0.480 114 L N 2.483 123.705 121.223 -0.003 0.000 2.562 114 L HA 0.166 4.395 4.340 -0.185 0.000 0.271 114 L C 0.988 177.853 176.870 -0.009 0.000 1.167 114 L CA 0.508 55.343 54.840 -0.007 0.000 0.917 114 L CB 0.347 42.406 42.059 0.001 0.000 1.187 114 L HN 0.205 nan 8.230 nan 0.000 0.482 115 Q N 3.048 122.834 119.800 -0.023 0.000 2.280 115 Q HA 0.208 4.437 4.340 -0.185 0.000 0.244 115 Q C -0.230 175.737 176.000 -0.056 0.000 0.847 115 Q CA 0.064 55.843 55.803 -0.040 0.000 0.945 115 Q CB 1.133 29.846 28.738 -0.043 0.000 1.115 115 Q HN 0.732 nan 8.270 nan 0.000 0.513 116 E N 1.066 121.242 120.200 -0.039 0.000 2.263 116 E HA 0.462 4.701 4.350 -0.185 0.000 0.268 116 E C -2.029 174.568 176.600 -0.006 0.000 0.884 116 E CA -0.638 55.752 56.400 -0.018 0.000 0.766 116 E CB 1.627 31.317 29.700 -0.017 0.000 1.196 116 E HN -0.036 nan 8.360 nan 0.000 0.416 117 L N 4.577 125.853 121.223 0.088 0.000 2.409 117 L HA 0.478 4.707 4.340 -0.185 0.000 0.272 117 L C -1.920 175.141 176.870 0.318 0.000 0.980 117 L CA -0.514 54.395 54.840 0.115 0.000 0.826 117 L CB 1.542 43.651 42.059 0.084 0.000 1.268 117 L HN 0.622 nan 8.230 nan 0.000 0.407 118 H N 6.563 125.644 119.070 0.018 0.000 2.595 118 H HA 0.513 4.959 4.556 -0.182 0.000 0.313 118 H C 0.006 175.353 175.328 0.032 0.000 1.023 118 H CA -0.574 55.489 56.048 0.025 0.000 1.218 118 H CB 1.475 31.249 29.762 0.021 0.000 1.403 118 H HN 0.617 nan 8.280 nan 0.000 0.477 119 L N 1.236 122.548 121.223 0.148 0.000 3.069 119 L HA 0.208 4.437 4.340 -0.185 0.000 0.271 119 L C 0.356 177.279 176.870 0.089 0.000 1.201 119 L CA -0.079 54.822 54.840 0.102 0.000 1.015 119 L CB 0.484 42.593 42.059 0.084 0.000 1.371 119 L HN 0.311 nan 8.230 nan 0.000 0.574 120 S N 0.804 116.558 115.700 0.091 0.000 2.558 120 S HA -0.044 4.315 4.470 -0.185 0.000 0.287 120 S C 0.467 175.122 174.600 0.091 0.000 1.321 120 S CA 0.148 58.404 58.200 0.095 0.000 1.048 120 S CB 0.209 63.461 63.200 0.086 0.000 0.844 120 S HN 0.427 nan 8.310 nan 0.000 0.512 121 D N 0.869 121.338 120.400 0.115 0.000 2.907 121 D HA -0.141 4.388 4.640 -0.185 0.000 0.226 121 D C -0.775 175.549 176.300 0.040 0.000 1.141 121 D CA 0.679 54.715 54.000 0.060 0.000 0.779 121 D CB -1.221 39.574 40.800 -0.008 0.000 1.095 121 D HN 0.484 nan 8.370 nan 0.000 0.430 122 N N -0.303 118.432 118.700 0.059 0.000 2.258 122 N HA 0.491 5.120 4.740 -0.185 0.000 0.299 122 N C 0.409 175.949 175.510 0.050 0.000 1.047 122 N CA -0.371 52.705 53.050 0.044 0.000 0.814 122 N CB 1.809 40.323 38.487 0.044 0.000 1.413 122 N HN 0.112 nan 8.380 nan 0.000 0.478 123 L N 3.063 124.309 121.223 0.038 0.000 2.404 123 L HA 0.322 4.551 4.340 -0.185 0.000 0.277 123 L C 1.358 178.247 176.870 0.032 0.000 1.184 123 L CA 0.072 54.935 54.840 0.038 0.000 1.013 123 L CB -1.475 40.601 42.059 0.029 0.000 1.318 123 L HN 0.600 nan 8.230 nan 0.000 0.435 124 L N 2.011 123.256 121.223 0.036 0.000 2.202 124 L HA 0.456 4.686 4.340 -0.185 0.000 0.205 124 L C 1.553 178.437 176.870 0.024 0.000 1.083 124 L CA 0.818 55.676 54.840 0.030 0.000 0.790 124 L CB -0.487 41.593 42.059 0.035 0.000 0.942 124 L HN 0.940 nan 8.230 nan 0.000 0.452 125 G N 0.495 109.310 108.800 0.024 0.000 2.814 125 G HA2 -0.231 3.618 3.960 -0.185 0.000 0.677 125 G HA3 -0.231 3.618 3.960 -0.185 0.000 0.677 125 G C -0.092 174.816 174.900 0.013 0.000 1.429 125 G CA -0.140 44.970 45.100 0.017 0.000 0.868 125 G HN 0.201 nan 8.290 nan 0.000 0.553 126 D N 0.260 120.665 120.400 0.008 0.000 2.264 126 D HA 0.002 4.531 4.640 -0.185 0.000 0.208 126 D C 2.619 178.921 176.300 0.003 0.000 0.966 126 D CA 1.671 55.673 54.000 0.004 0.000 0.864 126 D CB -0.219 40.580 40.800 -0.000 0.000 0.933 126 D HN 0.780 nan 8.370 nan 0.000 0.499 127 A N 1.263 124.086 122.820 0.005 0.000 1.841 127 A HA -0.019 4.190 4.320 -0.185 0.000 0.214 127 A C 2.418 180.006 177.584 0.007 0.000 1.195 127 A CA 2.024 54.063 52.037 0.004 0.000 0.611 127 A CB -1.182 17.821 19.000 0.004 0.000 0.835 127 A HN 0.278 nan 8.150 nan 0.000 0.443 128 G N -0.243 108.563 108.800 0.010 0.000 2.459 128 G HA2 -0.230 3.619 3.960 -0.185 0.000 0.217 128 G HA3 -0.230 3.619 3.960 -0.185 0.000 0.217 128 G C 1.562 176.472 174.900 0.016 0.000 1.183 128 G CA 1.166 46.275 45.100 0.014 0.000 0.776 128 G HN 0.521 nan 8.290 nan 0.000 0.552 129 L N 0.021 121.253 121.223 0.015 0.000 2.261 129 L HA -0.072 4.158 4.340 -0.185 0.000 0.216 129 L C 2.863 179.737 176.870 0.007 0.000 1.114 129 L CA 1.711 56.560 54.840 0.014 0.000 0.777 129 L CB -0.141 41.925 42.059 0.012 0.000 0.910 129 L HN 0.346 nan 8.230 nan 0.000 0.440 130 Q N -0.827 118.976 119.800 0.004 0.000 2.049 130 Q HA -0.198 4.031 4.340 -0.185 0.000 0.198 130 Q C 2.302 178.304 176.000 0.002 0.000 0.971 130 Q CA 1.714 57.516 55.803 -0.001 0.000 0.833 130 Q CB -0.132 28.605 28.738 -0.002 0.000 0.896 130 Q HN 0.567 nan 8.270 nan 0.000 0.434 131 L N 0.077 121.304 121.223 0.006 0.000 2.017 131 L HA -0.227 4.002 4.340 -0.185 0.000 0.208 131 L C 2.264 179.142 176.870 0.013 0.000 1.073 131 L CA 0.728 55.574 54.840 0.009 0.000 0.745 131 L CB -0.246 41.819 42.059 0.011 0.000 0.894 131 L HN 0.314 nan 8.230 nan 0.000 0.432 132 L N -0.488 120.746 121.223 0.018 0.000 1.990 132 L HA -0.336 3.894 4.340 -0.185 0.000 0.213 132 L C 2.581 179.463 176.870 0.021 0.000 1.072 132 L CA 1.957 56.812 54.840 0.025 0.000 0.755 132 L CB -0.614 41.464 42.059 0.032 0.000 0.889 132 L HN 0.355 nan 8.230 nan 0.000 0.432 133 C N -0.843 118.462 119.300 0.009 0.000 2.409 133 C HA -0.136 4.213 4.460 -0.185 0.000 0.288 133 C C 2.541 177.529 174.990 -0.004 0.000 1.395 133 C CA 0.527 59.541 59.018 -0.005 0.000 1.792 133 C CB -1.212 26.514 27.740 -0.022 0.000 1.847 133 C HN 0.548 nan 8.230 nan 0.000 0.534 134 E N 0.492 120.693 120.200 0.002 0.000 2.072 134 E HA -0.083 4.156 4.350 -0.185 0.000 0.191 134 E C 2.413 179.019 176.600 0.009 0.000 0.985 134 E CA 1.258 57.660 56.400 0.003 0.000 0.801 134 E CB -0.264 29.439 29.700 0.005 0.000 0.750 134 E HN 0.723 nan 8.360 nan 0.000 0.452 135 G N 0.906 109.717 108.800 0.017 0.000 2.394 135 G HA2 -0.210 3.639 3.960 -0.185 0.000 0.214 135 G HA3 -0.210 3.639 3.960 -0.185 0.000 0.214 135 G C 1.547 176.465 174.900 0.029 0.000 1.176 135 G CA 0.292 45.407 45.100 0.024 0.000 0.786 135 G HN 0.092 nan 8.290 nan 0.000 0.533 136 L N 0.019 121.261 121.223 0.032 0.000 2.081 136 L HA -0.071 4.158 4.340 -0.185 0.000 0.212 136 L C 2.776 179.661 176.870 0.024 0.000 1.080 136 L CA 0.642 55.508 54.840 0.043 0.000 0.754 136 L CB -0.373 41.709 42.059 0.037 0.000 0.893 136 L HN 0.166 nan 8.230 nan 0.000 0.433 137 L N -0.835 120.391 121.223 0.004 0.000 2.376 137 L HA -0.084 4.145 4.340 -0.185 0.000 0.219 137 L C 0.991 177.865 176.870 0.007 0.000 1.133 137 L CA 0.071 54.908 54.840 -0.005 0.000 0.816 137 L CB -0.372 41.678 42.059 -0.015 0.000 0.933 137 L HN 0.234 nan 8.230 nan 0.000 0.449 138 D N 1.125 121.534 120.400 0.015 0.000 2.434 138 D HA -0.024 4.505 4.640 -0.185 0.000 0.252 138 D C -1.417 174.896 176.300 0.022 0.000 1.185 138 D CA -1.351 52.659 54.000 0.017 0.000 0.886 138 D CB 1.418 42.230 40.800 0.020 0.000 1.148 138 D HN -0.011 nan 8.370 nan 0.000 0.483 139 P HA -0.168 nan 4.420 nan 0.000 0.223 139 P C 0.946 178.261 177.300 0.025 0.000 1.144 139 P CA 0.847 63.960 63.100 0.021 0.000 0.783 139 P CB 0.474 32.184 31.700 0.016 0.000 0.771 140 Q N -1.033 118.781 119.800 0.023 0.000 2.432 140 Q HA 0.020 4.249 4.340 -0.185 0.000 0.205 140 Q C 0.504 176.522 176.000 0.029 0.000 0.945 140 Q CA 0.023 55.840 55.803 0.023 0.000 0.924 140 Q CB -1.125 27.625 28.738 0.019 0.000 1.016 140 Q HN 0.185 nan 8.270 nan 0.000 0.503 141 C N 1.646 120.968 119.300 0.037 0.000 2.482 141 C HA 0.316 4.665 4.460 -0.185 0.000 0.378 141 C C 0.776 175.802 174.990 0.060 0.000 1.284 141 C CA -0.444 58.603 59.018 0.049 0.000 1.826 141 C CB -0.285 27.490 27.740 0.059 0.000 2.473 141 C HN 0.342 nan 8.230 nan 0.000 0.562 142 R N 4.002 124.534 120.500 0.053 0.000 2.613 142 R HA 0.161 4.391 4.340 -0.185 0.000 0.361 142 R C -0.207 176.121 176.300 0.046 0.000 1.072 142 R CA -0.538 55.592 56.100 0.050 0.000 1.089 142 R CB -0.121 30.196 30.300 0.028 0.000 1.343 142 R HN 0.607 nan 8.270 nan 0.000 0.571 143 L N 1.795 123.060 121.223 0.070 0.000 2.559 143 L HA -0.103 4.127 4.340 -0.185 0.000 0.282 143 L C 1.152 177.971 176.870 -0.085 0.000 1.232 143 L CA 1.348 56.208 54.840 0.032 0.000 0.885 143 L CB 0.455 42.587 42.059 0.122 0.000 1.131 143 L HN 0.192 nan 8.230 nan 0.000 0.498 144 E N 1.894 121.927 120.200 -0.277 0.000 2.474 144 E HA 0.129 4.368 4.350 -0.185 0.000 0.215 144 E C -0.367 175.769 176.600 -0.774 0.000 0.867 144 E CA 0.053 56.153 56.400 -0.501 0.000 1.135 144 E CB 0.726 30.288 29.700 -0.230 0.000 1.147 144 E HN 0.445 nan 8.360 nan 0.000 0.534 145 K N 1.323 121.432 120.400 -0.485 0.000 2.545 145 K HA 0.413 4.623 4.320 -0.185 0.000 0.252 145 K C -1.510 174.994 176.600 -0.161 0.000 0.948 145 K CA -0.463 55.623 56.287 -0.336 0.000 0.827 145 K CB 2.458 34.877 32.500 -0.133 0.000 1.128 145 K HN -0.138 nan 8.250 nan 0.000 0.429 146 L N 2.069 123.238 121.223 -0.090 0.000 2.362 146 L HA 0.413 4.642 4.340 -0.185 0.000 0.275 146 L C -1.341 175.562 176.870 0.055 0.000 0.998 146 L CA -0.103 54.788 54.840 0.085 0.000 0.820 146 L CB 1.818 44.041 42.059 0.273 0.000 1.270 146 L HN 0.578 nan 8.230 nan 0.000 0.415 147 Q N 5.787 125.606 119.800 0.031 0.000 2.333 147 Q HA 0.549 4.778 4.340 -0.185 0.000 0.268 147 Q C -1.003 175.006 176.000 0.015 0.000 1.007 147 Q CA -0.360 55.418 55.803 -0.042 0.000 0.810 147 Q CB 2.133 30.728 28.738 -0.238 0.000 1.264 147 Q HN 0.672 nan 8.270 nan 0.000 0.452 148 L N 2.345 123.580 121.223 0.020 0.000 3.059 148 L HA 0.299 4.528 4.340 -0.185 0.000 0.298 148 L C -0.281 176.608 176.870 0.032 0.000 1.304 148 L CA -0.148 54.715 54.840 0.038 0.000 0.855 148 L CB 0.592 42.675 42.059 0.041 0.000 1.266 148 L HN 0.472 nan 8.230 nan 0.000 0.572 149 E N -0.149 120.076 120.200 0.042 0.000 2.366 149 E HA 0.156 4.395 4.350 -0.185 0.000 0.266 149 E C -0.615 176.083 176.600 0.163 0.000 1.051 149 E CA -0.771 55.655 56.400 0.044 0.000 0.884 149 E CB 0.469 30.222 29.700 0.089 0.000 1.006 149 E HN 0.142 nan 8.360 nan 0.000 0.417 150 Y N -0.438 119.872 120.300 0.016 0.000 3.027 150 Y HA -0.251 4.189 4.550 -0.184 0.000 0.195 150 Y C 0.358 176.267 175.900 0.014 0.000 1.381 150 Y CA -0.068 58.041 58.100 0.016 0.000 1.015 150 Y CB -1.837 36.634 38.460 0.017 0.000 1.329 150 Y HN 0.540 nan 8.280 nan 0.000 0.462 151 C N -0.898 118.472 119.300 0.117 0.000 2.994 151 C HA 0.333 4.682 4.460 -0.185 0.000 0.284 151 C C 1.417 176.442 174.990 0.058 0.000 1.404 151 C CA 0.445 59.513 59.018 0.084 0.000 1.775 151 C CB -0.768 27.009 27.740 0.061 0.000 2.458 151 C HN 0.789 nan 8.230 nan 0.000 0.593 152 S N 0.925 116.660 115.700 0.060 0.000 3.587 152 S HA -0.166 4.194 4.470 -0.185 0.000 0.337 152 S C 0.099 174.711 174.600 0.021 0.000 1.119 152 S CA 0.468 58.692 58.200 0.040 0.000 0.976 152 S CB -1.504 61.721 63.200 0.041 0.000 0.922 152 S HN 0.682 nan 8.310 nan 0.000 0.503 153 L N 1.273 122.504 121.223 0.012 0.000 2.418 153 L HA 0.609 4.838 4.340 -0.185 0.000 0.265 153 L C 0.880 177.746 176.870 -0.006 0.000 1.143 153 L CA -0.198 54.644 54.840 0.003 0.000 0.809 153 L CB 1.165 43.224 42.059 -0.000 0.000 1.124 153 L HN 0.396 nan 8.230 nan 0.000 0.456 154 S N 0.784 116.479 115.700 -0.008 0.000 2.823 154 S HA 0.602 4.962 4.470 -0.185 0.000 0.316 154 S C 0.795 175.386 174.600 -0.015 0.000 1.116 154 S CA -0.098 58.095 58.200 -0.012 0.000 0.911 154 S CB 1.348 64.543 63.200 -0.008 0.000 1.276 154 S HN 0.620 nan 8.310 nan 0.000 0.565 155 A N 0.291 123.102 122.820 -0.016 0.000 2.076 155 A HA 0.221 4.430 4.320 -0.185 0.000 0.220 155 A C 2.259 179.833 177.584 -0.017 0.000 1.160 155 A CA 1.823 53.849 52.037 -0.018 0.000 0.653 155 A CB -1.693 17.296 19.000 -0.018 0.000 0.801 155 A HN 1.348 nan 8.150 nan 0.000 0.455 156 A N -0.434 122.377 122.820 -0.014 0.000 1.940 156 A HA -0.098 4.111 4.320 -0.185 0.000 0.219 156 A C 2.369 179.945 177.584 -0.014 0.000 1.176 156 A CA 2.017 54.047 52.037 -0.013 0.000 0.631 156 A CB -0.770 18.225 19.000 -0.009 0.000 0.814 156 A HN 0.453 nan 8.150 nan 0.000 0.446 157 S N -1.103 114.589 115.700 -0.014 0.000 2.447 157 S HA -0.138 4.221 4.470 -0.185 0.000 0.233 157 S C 1.730 176.316 174.600 -0.022 0.000 1.006 157 S CA 1.068 59.260 58.200 -0.015 0.000 0.957 157 S CB -0.634 62.560 63.200 -0.010 0.000 0.773 157 S HN 0.731 nan 8.310 nan 0.000 0.507 158 C N 1.268 120.553 119.300 -0.024 0.000 2.432 158 C HA 0.004 4.353 4.460 -0.185 0.000 0.280 158 C C 2.657 177.626 174.990 -0.035 0.000 1.353 158 C CA 0.478 59.478 59.018 -0.030 0.000 1.766 158 C CB -1.027 26.696 27.740 -0.028 0.000 1.924 158 C HN 0.572 nan 8.230 nan 0.000 0.509 159 E N 1.604 121.786 120.200 -0.031 0.000 2.015 159 E HA -0.098 4.141 4.350 -0.185 0.000 0.191 159 E C -0.469 176.108 176.600 -0.039 0.000 0.991 159 E CA 1.795 58.175 56.400 -0.032 0.000 0.802 159 E CB -1.146 28.539 29.700 -0.025 0.000 0.759 159 E HN 0.337 nan 8.360 nan 0.000 0.447 160 P HA -0.162 nan 4.420 nan 0.000 0.215 160 P C 1.369 178.632 177.300 -0.062 0.000 1.157 160 P CA 1.250 64.325 63.100 -0.041 0.000 0.874 160 P CB -0.072 31.610 31.700 -0.030 0.000 0.790 161 L N -1.223 119.962 121.223 -0.063 0.000 2.083 161 L HA -0.192 4.037 4.340 -0.185 0.000 0.209 161 L C 2.423 179.220 176.870 -0.121 0.000 1.083 161 L CA 1.564 56.347 54.840 -0.094 0.000 0.752 161 L CB -1.022 40.995 42.059 -0.069 0.000 0.899 161 L HN -0.026 nan 8.230 nan 0.000 0.433 162 A N -1.069 121.699 122.820 -0.087 0.000 1.933 162 A HA -0.182 4.027 4.320 -0.185 0.000 0.218 162 A C 2.486 180.015 177.584 -0.093 0.000 1.175 162 A CA 1.949 53.936 52.037 -0.084 0.000 0.628 162 A CB -0.464 18.502 19.000 -0.057 0.000 0.814 162 A HN 0.364 nan 8.150 nan 0.000 0.444 163 S N -0.653 114.997 115.700 -0.083 0.000 2.368 163 S HA -0.107 4.252 4.470 -0.185 0.000 0.224 163 S C 1.904 176.442 174.600 -0.103 0.000 1.029 163 S CA 1.352 59.507 58.200 -0.076 0.000 0.988 163 S CB -0.331 62.835 63.200 -0.057 0.000 0.838 163 S HN 0.346 nan 8.310 nan 0.000 0.462 164 V N 2.062 121.889 119.914 -0.146 0.000 2.307 164 V HA -0.131 3.878 4.120 -0.185 0.000 0.245 164 V C 2.194 178.120 176.094 -0.279 0.000 1.045 164 V CA 1.423 63.600 62.300 -0.205 0.000 1.024 164 V CB -0.629 31.032 31.823 -0.269 0.000 0.651 164 V HN 0.407 nan 8.190 nan 0.000 0.449 165 L N -0.575 120.455 121.223 -0.321 0.000 1.971 165 L HA -0.260 3.969 4.340 -0.185 0.000 0.215 165 L C 2.749 179.533 176.870 -0.144 0.000 1.072 165 L CA 1.955 56.620 54.840 -0.291 0.000 0.758 165 L CB -0.621 41.316 42.059 -0.203 0.000 0.889 165 L HN 0.210 nan 8.230 nan 0.000 0.433 166 R N -0.695 119.742 120.500 -0.105 0.000 2.211 166 R HA -0.189 4.040 4.340 -0.185 0.000 0.240 166 R C 2.064 178.335 176.300 -0.049 0.000 1.144 166 R CA 1.302 57.365 56.100 -0.061 0.000 0.992 166 R CB -0.165 30.104 30.300 -0.052 0.000 0.869 166 R HN 0.436 nan 8.270 nan 0.000 0.462 167 A N 0.252 123.033 122.820 -0.065 0.000 1.973 167 A HA 0.106 4.315 4.320 -0.185 0.000 0.210 167 A C 1.110 178.685 177.584 -0.015 0.000 1.200 167 A CA 0.745 52.759 52.037 -0.039 0.000 0.707 167 A CB 0.098 19.073 19.000 -0.041 0.000 0.862 167 A HN 0.217 nan 8.150 nan 0.000 0.461 168 K N 1.710 122.099 120.400 -0.019 0.000 2.268 168 K HA 0.508 4.717 4.320 -0.185 0.000 0.276 168 K C -1.941 174.714 176.600 0.092 0.000 1.080 168 K CA -1.508 54.814 56.287 0.058 0.000 0.910 168 K CB 0.022 32.603 32.500 0.134 0.000 1.163 168 K HN 0.329 nan 8.250 nan 0.000 0.465 169 P HA -0.150 nan 4.420 nan 0.000 0.226 169 P C -0.428 176.923 177.300 0.085 0.000 1.153 169 P CA 1.138 64.278 63.100 0.066 0.000 0.777 169 P CB 0.157 31.882 31.700 0.042 0.000 0.794 170 D N -2.124 118.340 120.400 0.106 0.000 2.463 170 D HA 0.094 4.623 4.640 -0.185 0.000 0.224 170 D C -0.036 176.326 176.300 0.104 0.000 1.174 170 D CA -0.743 53.306 54.000 0.082 0.000 0.829 170 D CB -0.976 39.852 40.800 0.047 0.000 0.993 170 D HN -0.017 nan 8.370 nan 0.000 0.497 171 F N 1.745 121.698 119.950 0.004 0.000 2.529 171 F HA 0.216 4.632 4.527 -0.184 0.000 0.365 171 F C 1.486 177.287 175.800 0.002 0.000 1.102 171 F CA 0.376 58.378 58.000 0.004 0.000 1.271 171 F CB 1.046 40.047 39.000 0.002 0.000 1.120 171 F HN -0.224 nan 8.300 nan 0.000 0.579 172 K N 1.984 122.253 120.400 -0.218 0.000 2.424 172 K HA 0.107 4.316 4.320 -0.185 0.000 0.198 172 K C -0.165 176.379 176.600 -0.093 0.000 1.190 172 K CA 0.115 56.339 56.287 -0.106 0.000 0.935 172 K CB 0.755 33.186 32.500 -0.115 0.000 1.087 172 K HN 0.542 nan 8.250 nan 0.000 0.524 173 E N 1.295 121.377 120.200 -0.196 0.000 2.290 173 E HA 0.264 4.503 4.350 -0.185 0.000 0.274 173 E C -2.003 174.588 176.600 -0.014 0.000 0.889 173 E CA -0.584 55.762 56.400 -0.089 0.000 0.760 173 E CB 1.793 31.430 29.700 -0.105 0.000 1.206 173 E HN -0.084 nan 8.360 nan 0.000 0.419 174 L N 3.314 124.587 121.223 0.083 0.000 2.406 174 L HA 0.517 4.746 4.340 -0.185 0.000 0.272 174 L C -1.380 175.517 176.870 0.044 0.000 0.980 174 L CA -0.043 54.882 54.840 0.142 0.000 0.831 174 L CB 2.204 44.391 42.059 0.214 0.000 1.253 174 L HN 0.438 nan 8.230 nan 0.000 0.406 175 T N 4.823 119.391 114.554 0.022 0.000 2.833 175 T HA 0.421 4.660 4.350 -0.185 0.000 0.297 175 T C 0.325 175.021 174.700 -0.007 0.000 1.015 175 T CA -0.200 61.891 62.100 -0.015 0.000 0.963 175 T CB 1.056 69.892 68.868 -0.053 0.000 0.955 175 T HN 0.503 nan 8.240 nan 0.000 0.449 176 V N 0.426 120.331 119.914 -0.014 0.000 3.070 176 V HA 0.393 4.403 4.120 -0.185 0.000 0.345 176 V C 0.753 176.814 176.094 -0.055 0.000 1.403 176 V CA -0.666 61.620 62.300 -0.023 0.000 1.155 176 V CB -0.258 31.555 31.823 -0.018 0.000 1.140 176 V HN 0.626 nan 8.190 nan 0.000 0.505 177 S N 2.677 118.342 115.700 -0.058 0.000 2.559 177 S HA 0.118 4.477 4.470 -0.185 0.000 0.282 177 S C 0.887 175.370 174.600 -0.194 0.000 1.336 177 S CA 0.729 58.877 58.200 -0.086 0.000 1.037 177 S CB -0.218 62.962 63.200 -0.033 0.000 0.853 177 S HN 0.854 nan 8.310 nan 0.000 0.523 178 N N 1.639 120.182 118.700 -0.261 0.000 2.758 178 N HA -0.173 4.456 4.740 -0.185 0.000 0.248 178 N C -1.239 174.060 175.510 -0.353 0.000 1.076 178 N CA 0.539 53.303 53.050 -0.477 0.000 0.696 178 N CB -1.320 36.447 38.487 -1.200 0.000 0.979 178 N HN 0.559 nan 8.380 nan 0.000 0.550 179 N N 0.661 119.252 118.700 -0.182 0.000 2.310 179 N HA 0.132 4.761 4.740 -0.185 0.000 0.292 179 N C -1.230 174.235 175.510 -0.076 0.000 1.049 179 N CA -0.481 52.508 53.050 -0.102 0.000 0.849 179 N CB 1.334 39.781 38.487 -0.066 0.000 1.532 179 N HN -0.049 nan 8.380 nan 0.000 0.479 180 D N 2.245 122.614 120.400 -0.053 0.000 2.608 180 D HA 0.118 4.647 4.640 -0.185 0.000 0.224 180 D C 1.635 177.914 176.300 -0.034 0.000 1.123 180 D CA -0.093 53.881 54.000 -0.042 0.000 1.030 180 D CB 0.100 40.883 40.800 -0.029 0.000 1.093 180 D HN 0.580 nan 8.370 nan 0.000 0.497 181 I N -2.239 118.308 120.570 -0.038 0.000 3.419 181 I HA -0.020 4.039 4.170 -0.185 0.000 0.286 181 I C 0.299 176.397 176.117 -0.031 0.000 1.268 181 I CA -0.311 60.970 61.300 -0.032 0.000 1.414 181 I CB -0.045 37.935 38.000 -0.033 0.000 1.074 181 I HN -0.076 nan 8.210 nan 0.000 0.457 182 N N 2.313 120.992 118.700 -0.035 0.000 6.461 182 N HA -0.352 4.277 4.740 -0.185 0.000 0.395 182 N C 0.912 176.403 175.510 -0.032 0.000 0.932 182 N CA 1.407 54.437 53.050 -0.033 0.000 1.356 182 N CB -0.412 38.058 38.487 -0.028 0.000 0.799 182 N HN 0.582 nan 8.380 nan 0.000 0.402 183 E N 0.541 120.724 120.200 -0.030 0.000 2.049 183 E HA -0.188 4.051 4.350 -0.185 0.000 0.198 183 E C 1.869 178.454 176.600 -0.025 0.000 1.007 183 E CA 1.967 58.350 56.400 -0.028 0.000 0.809 183 E CB -0.297 29.388 29.700 -0.025 0.000 0.749 183 E HN 0.580 nan 8.360 nan 0.000 0.450 184 A N 0.884 123.690 122.820 -0.023 0.000 1.859 184 A HA -0.171 4.038 4.320 -0.185 0.000 0.217 184 A C 2.522 180.092 177.584 -0.023 0.000 1.198 184 A CA 2.208 54.233 52.037 -0.021 0.000 0.629 184 A CB -1.632 17.357 19.000 -0.019 0.000 0.830 184 A HN 0.502 nan 8.150 nan 0.000 0.446 185 G N -0.741 108.045 108.800 -0.024 0.000 2.446 185 G HA2 -0.162 3.687 3.960 -0.185 0.000 0.217 185 G HA3 -0.162 3.687 3.960 -0.185 0.000 0.217 185 G C 1.501 176.385 174.900 -0.027 0.000 1.168 185 G CA 1.377 46.462 45.100 -0.025 0.000 0.771 185 G HN 0.383 nan 8.290 nan 0.000 0.551 186 V N 0.667 120.564 119.914 -0.029 0.000 2.490 186 V HA -0.159 3.850 4.120 -0.185 0.000 0.250 186 V C 2.737 178.815 176.094 -0.027 0.000 1.061 186 V CA 2.164 64.446 62.300 -0.029 0.000 1.064 186 V CB -0.464 31.340 31.823 -0.032 0.000 0.670 186 V HN 0.443 nan 8.190 nan 0.000 0.461 187 R N 0.081 120.566 120.500 -0.025 0.000 2.062 187 R HA -0.104 4.125 4.340 -0.185 0.000 0.229 187 R C 2.201 178.486 176.300 -0.024 0.000 1.128 187 R CA 1.610 57.696 56.100 -0.024 0.000 0.960 187 R CB -0.440 29.846 30.300 -0.022 0.000 0.855 187 R HN 0.322 nan 8.270 nan 0.000 0.432 188 V N 1.290 121.189 119.914 -0.025 0.000 2.252 188 V HA -0.276 3.733 4.120 -0.185 0.000 0.249 188 V C 2.324 178.400 176.094 -0.029 0.000 1.056 188 V CA 1.715 63.999 62.300 -0.026 0.000 1.022 188 V CB -0.672 31.136 31.823 -0.026 0.000 0.641 188 V HN 0.289 nan 8.190 nan 0.000 0.445 189 L N -0.236 120.969 121.223 -0.031 0.000 2.013 189 L HA -0.223 4.006 4.340 -0.185 0.000 0.212 189 L C 2.475 179.327 176.870 -0.030 0.000 1.073 189 L CA 2.093 56.913 54.840 -0.033 0.000 0.753 189 L CB -1.096 40.945 42.059 -0.030 0.000 0.890 189 L HN 0.430 nan 8.230 nan 0.000 0.432 190 C N -1.668 117.616 119.300 -0.026 0.000 2.419 190 C HA -0.152 4.198 4.460 -0.185 0.000 0.281 190 C C 2.761 177.736 174.990 -0.025 0.000 1.336 190 C CA 0.458 59.462 59.018 -0.024 0.000 1.770 190 C CB -0.729 26.997 27.740 -0.024 0.000 1.929 190 C HN 0.569 nan 8.230 nan 0.000 0.509 191 Q N 0.548 120.333 119.800 -0.026 0.000 2.020 191 Q HA 0.004 4.233 4.340 -0.185 0.000 0.198 191 Q C 2.441 178.424 176.000 -0.027 0.000 0.974 191 Q CA 1.854 57.642 55.803 -0.025 0.000 0.829 191 Q CB -0.535 28.188 28.738 -0.024 0.000 0.894 191 Q HN 0.650 nan 8.270 nan 0.000 0.433 192 G N 0.338 109.118 108.800 -0.033 0.000 2.450 192 G HA2 -0.241 3.608 3.960 -0.185 0.000 0.220 192 G HA3 -0.241 3.608 3.960 -0.185 0.000 0.220 192 G C 1.305 176.183 174.900 -0.037 0.000 1.130 192 G CA 0.562 45.638 45.100 -0.040 0.000 0.760 192 G HN 0.261 nan 8.290 nan 0.000 0.557 193 L N 0.193 121.398 121.223 -0.030 0.000 2.068 193 L HA 0.043 4.272 4.340 -0.185 0.000 0.204 193 L C 3.543 180.403 176.870 -0.016 0.000 1.076 193 L CA 1.482 56.310 54.840 -0.020 0.000 0.753 193 L CB -0.466 41.585 42.059 -0.015 0.000 0.910 193 L HN 0.376 nan 8.230 nan 0.000 0.439 194 K N 0.579 120.967 120.400 -0.019 0.000 2.218 194 K HA -0.237 3.972 4.320 -0.185 0.000 0.205 194 K C 1.186 177.777 176.600 -0.015 0.000 1.046 194 K CA 2.123 58.398 56.287 -0.019 0.000 0.933 194 K CB -0.904 31.583 32.500 -0.023 0.000 0.728 194 K HN 0.773 nan 8.250 nan 0.000 0.454 195 D N -2.305 118.086 120.400 -0.016 0.000 2.474 195 D HA 0.162 4.691 4.640 -0.185 0.000 0.213 195 D C 0.773 177.067 176.300 -0.011 0.000 1.120 195 D CA 0.286 54.279 54.000 -0.013 0.000 0.836 195 D CB -0.015 40.776 40.800 -0.014 0.000 1.019 195 D HN 0.245 nan 8.370 nan 0.000 0.507 196 S N 1.014 116.706 115.700 -0.013 0.000 2.584 196 S HA 0.250 4.609 4.470 -0.185 0.000 0.270 196 S C -1.651 172.950 174.600 0.002 0.000 1.346 196 S CA -0.884 57.310 58.200 -0.011 0.000 1.018 196 S CB 0.996 64.184 63.200 -0.019 0.000 0.899 196 S HN 0.003 nan 8.310 nan 0.000 0.542 197 P HA 0.226 nan 4.420 nan 0.000 0.267 197 P C 0.457 177.774 177.300 0.029 0.000 1.289 197 P CA -0.277 62.833 63.100 0.016 0.000 0.866 197 P CB -0.998 30.711 31.700 0.015 0.000 1.309 198 C N 0.446 119.770 119.300 0.040 0.000 2.679 198 C HA 0.267 4.616 4.460 -0.185 0.000 0.417 198 C C 0.882 175.906 174.990 0.057 0.000 1.302 198 C CA -0.472 58.586 59.018 0.067 0.000 1.973 198 C CB -0.280 27.530 27.740 0.116 0.000 2.715 198 C HN 0.196 nan 8.230 nan 0.000 0.628 199 Q N 1.950 121.783 119.800 0.056 0.000 3.091 199 Q HA 0.257 4.486 4.340 -0.185 0.000 0.301 199 Q C -0.151 175.875 176.000 0.043 0.000 1.337 199 Q CA -0.216 55.611 55.803 0.040 0.000 1.083 199 Q CB 0.300 29.056 28.738 0.029 0.000 1.477 199 Q HN 0.837 nan 8.270 nan 0.000 0.537 200 L N 1.264 122.521 121.223 0.056 0.000 2.578 200 L HA -0.139 4.090 4.340 -0.185 0.000 0.279 200 L C 1.054 177.940 176.870 0.027 0.000 1.227 200 L CA 1.212 56.087 54.840 0.058 0.000 0.900 200 L CB 0.512 42.610 42.059 0.065 0.000 1.144 200 L HN 0.364 nan 8.230 nan 0.000 0.496 201 E N 2.777 122.984 120.200 0.012 0.000 2.372 201 E HA 0.386 4.625 4.350 -0.185 0.000 0.201 201 E C -0.498 176.094 176.600 -0.015 0.000 0.938 201 E CA 0.401 56.799 56.400 -0.003 0.000 0.944 201 E CB 0.635 30.328 29.700 -0.013 0.000 0.937 201 E HN 0.708 nan 8.360 nan 0.000 0.495 202 A N 1.077 123.886 122.820 -0.018 0.000 2.427 202 A HA 0.603 4.812 4.320 -0.185 0.000 0.298 202 A C -1.863 175.708 177.584 -0.022 0.000 1.036 202 A CA -0.571 51.443 52.037 -0.038 0.000 0.701 202 A CB 1.214 20.175 19.000 -0.065 0.000 1.250 202 A HN 0.074 nan 8.150 nan 0.000 0.412 203 L N 1.909 123.114 121.223 -0.029 0.000 2.406 203 L HA 0.618 4.847 4.340 -0.185 0.000 0.272 203 L C -0.870 175.978 176.870 -0.035 0.000 0.980 203 L CA -0.186 54.645 54.840 -0.015 0.000 0.831 203 L CB 1.536 43.594 42.059 -0.002 0.000 1.253 203 L HN 0.632 nan 8.230 nan 0.000 0.406 204 K N 6.947 127.327 120.400 -0.035 0.000 2.450 204 K HA 0.551 4.760 4.320 -0.185 0.000 0.257 204 K C -0.887 175.699 176.600 -0.024 0.000 0.953 204 K CA -0.436 55.827 56.287 -0.039 0.000 0.844 204 K CB 1.704 34.169 32.500 -0.060 0.000 1.103 204 K HN 0.587 nan 8.250 nan 0.000 0.429 205 L N 2.824 124.035 121.223 -0.020 0.000 3.059 205 L HA 0.238 4.467 4.340 -0.185 0.000 0.298 205 L C -0.189 176.652 176.870 -0.049 0.000 1.304 205 L CA -0.369 54.450 54.840 -0.035 0.000 0.855 205 L CB 0.405 42.442 42.059 -0.036 0.000 1.266 205 L HN 0.467 nan 8.230 nan 0.000 0.572 206 E N 0.238 120.422 120.200 -0.028 0.000 2.354 206 E HA 0.211 4.450 4.350 -0.185 0.000 0.269 206 E C 0.292 176.835 176.600 -0.096 0.000 1.036 206 E CA -0.311 56.057 56.400 -0.053 0.000 0.876 206 E CB 0.982 30.744 29.700 0.102 0.000 1.009 206 E HN 0.231 nan 8.360 nan 0.000 0.416 207 S N 0.828 116.435 115.700 -0.154 0.000 3.628 207 S HA -0.178 4.181 4.470 -0.185 0.000 0.373 207 S C 0.346 174.873 174.600 -0.122 0.000 0.968 207 S CA 0.236 58.353 58.200 -0.137 0.000 1.215 207 S CB -1.464 61.668 63.200 -0.114 0.000 0.912 207 S HN 0.687 nan 8.310 nan 0.000 0.495 208 C N -0.321 118.916 119.300 -0.106 0.000 3.230 208 C HA 0.522 4.872 4.460 -0.185 0.000 0.300 208 C C 1.923 176.871 174.990 -0.070 0.000 1.292 208 C CA 0.236 59.202 59.018 -0.086 0.000 1.707 208 C CB -0.384 27.312 27.740 -0.073 0.000 2.181 208 C HN 1.385 nan 8.230 nan 0.000 0.655 209 G N 1.166 109.922 108.800 -0.074 0.000 2.130 209 G HA2 -0.187 3.662 3.960 -0.185 0.000 0.216 209 G HA3 -0.187 3.662 3.960 -0.185 0.000 0.216 209 G C -0.023 174.843 174.900 -0.056 0.000 0.999 209 G CA 0.193 45.257 45.100 -0.060 0.000 0.686 209 G HN 0.339 nan 8.290 nan 0.000 0.515 210 V N 1.890 121.766 119.914 -0.064 0.000 2.585 210 V HA 0.518 4.527 4.120 -0.185 0.000 0.296 210 V C 1.289 177.351 176.094 -0.053 0.000 1.035 210 V CA 0.784 63.050 62.300 -0.056 0.000 1.084 210 V CB 0.970 32.757 31.823 -0.060 0.000 0.953 210 V HN 0.815 nan 8.190 nan 0.000 0.483 211 T N 0.744 115.272 114.554 -0.042 0.000 2.948 211 T HA 0.307 4.546 4.350 -0.185 0.000 0.285 211 T C 1.154 175.835 174.700 -0.033 0.000 1.019 211 T CA -0.048 62.029 62.100 -0.037 0.000 1.013 211 T CB 1.538 70.388 68.868 -0.031 0.000 1.117 211 T HN 0.651 nan 8.240 nan 0.000 0.533 212 S N -0.084 115.599 115.700 -0.029 0.000 2.469 212 S HA -0.137 4.223 4.470 -0.185 0.000 0.238 212 S C 1.391 175.979 174.600 -0.020 0.000 0.998 212 S CA 0.873 59.058 58.200 -0.024 0.000 0.957 212 S CB -0.545 62.643 63.200 -0.020 0.000 0.764 212 S HN 0.780 nan 8.310 nan 0.000 0.514 213 D N 2.230 122.617 120.400 -0.021 0.000 2.103 213 D HA -0.016 4.513 4.640 -0.185 0.000 0.199 213 D C 1.526 177.814 176.300 -0.020 0.000 0.978 213 D CA 0.869 54.858 54.000 -0.019 0.000 0.829 213 D CB -0.510 40.279 40.800 -0.019 0.000 0.981 213 D HN 0.476 nan 8.370 nan 0.000 0.464 214 N N -0.404 118.282 118.700 -0.024 0.000 2.430 214 N HA -0.135 4.494 4.740 -0.185 0.000 0.186 214 N C 1.810 177.306 175.510 -0.023 0.000 1.032 214 N CA 0.412 53.448 53.050 -0.025 0.000 0.893 214 N CB -0.020 38.450 38.487 -0.029 0.000 0.957 214 N HN 0.171 nan 8.380 nan 0.000 0.442 215 C N 0.389 119.676 119.300 -0.022 0.000 2.419 215 C HA -0.065 4.284 4.460 -0.185 0.000 0.283 215 C C 3.060 178.039 174.990 -0.018 0.000 1.373 215 C CA 1.221 60.227 59.018 -0.019 0.000 1.781 215 C CB -1.387 26.344 27.740 -0.016 0.000 1.886 215 C HN 0.617 nan 8.230 nan 0.000 0.520 216 R N 0.848 121.337 120.500 -0.019 0.000 2.075 216 R HA -0.078 4.151 4.340 -0.185 0.000 0.226 216 R C 1.691 177.977 176.300 -0.024 0.000 1.114 216 R CA 1.866 57.955 56.100 -0.019 0.000 0.972 216 R CB -1.149 29.141 30.300 -0.017 0.000 0.869 216 R HN 0.609 nan 8.270 nan 0.000 0.437 217 D N 1.283 121.669 120.400 -0.024 0.000 2.084 217 D HA -0.122 4.407 4.640 -0.185 0.000 0.194 217 D C 2.098 178.381 176.300 -0.028 0.000 0.990 217 D CA 1.498 55.483 54.000 -0.026 0.000 0.826 217 D CB -0.308 40.478 40.800 -0.024 0.000 0.971 217 D HN 0.378 nan 8.370 nan 0.000 0.453 218 L N 0.664 121.872 121.223 -0.025 0.000 2.127 218 L HA -0.187 4.042 4.340 -0.185 0.000 0.211 218 L C 2.869 179.722 176.870 -0.028 0.000 1.089 218 L CA 0.686 55.513 54.840 -0.023 0.000 0.757 218 L CB -0.438 41.610 42.059 -0.018 0.000 0.899 218 L HN 0.195 nan 8.230 nan 0.000 0.434 219 C N 0.357 119.639 119.300 -0.030 0.000 2.413 219 C HA -0.111 4.238 4.460 -0.185 0.000 0.277 219 C C 2.868 177.818 174.990 -0.067 0.000 1.265 219 C CA 0.990 59.985 59.018 -0.039 0.000 1.752 219 C CB -1.278 26.442 27.740 -0.032 0.000 1.998 219 C HN 0.658 nan 8.230 nan 0.000 0.489 220 G N 0.537 109.300 108.800 -0.061 0.000 2.402 220 G HA2 -0.081 3.768 3.960 -0.185 0.000 0.216 220 G HA3 -0.081 3.768 3.960 -0.185 0.000 0.216 220 G C 1.379 176.232 174.900 -0.078 0.000 1.162 220 G CA 1.006 46.059 45.100 -0.078 0.000 0.777 220 G HN 0.419 nan 8.290 nan 0.000 0.539 221 I N 1.099 121.638 120.570 -0.052 0.000 2.179 221 I HA -0.107 3.952 4.170 -0.185 0.000 0.242 221 I C 3.034 179.126 176.117 -0.041 0.000 1.088 221 I CA 0.380 61.657 61.300 -0.038 0.000 1.357 221 I CB -1.260 36.726 38.000 -0.024 0.000 1.051 221 I HN 0.028 nan 8.210 nan 0.000 0.409 222 V N 1.370 121.259 119.914 -0.041 0.000 2.287 222 V HA -0.281 3.728 4.120 -0.185 0.000 0.248 222 V C 2.810 178.870 176.094 -0.058 0.000 1.053 222 V CA 1.917 64.199 62.300 -0.031 0.000 1.027 222 V CB -1.344 30.469 31.823 -0.018 0.000 0.646 222 V HN 0.476 nan 8.190 nan 0.000 0.447 223 A N 0.557 123.291 122.820 -0.142 0.000 1.940 223 A HA -0.205 4.004 4.320 -0.185 0.000 0.219 223 A C 2.441 179.873 177.584 -0.253 0.000 1.176 223 A CA 2.483 54.309 52.037 -0.350 0.000 0.631 223 A CB -0.555 18.090 19.000 -0.590 0.000 0.814 223 A HN 0.710 nan 8.150 nan 0.000 0.446 224 S N -1.620 114.000 115.700 -0.134 0.000 2.492 224 S HA 0.162 4.521 4.470 -0.185 0.000 0.218 224 S C 0.694 175.292 174.600 -0.004 0.000 1.016 224 S CA -0.132 58.038 58.200 -0.050 0.000 0.916 224 S CB 0.102 63.274 63.200 -0.048 0.000 0.791 224 S HN 0.310 nan 8.310 nan 0.000 0.513 225 K N 2.269 122.667 120.400 -0.005 0.000 2.244 225 K HA 0.500 4.709 4.320 -0.185 0.000 0.263 225 K C 0.708 177.321 176.600 0.022 0.000 1.103 225 K CA 0.187 56.481 56.287 0.011 0.000 0.966 225 K CB 0.988 33.493 32.500 0.009 0.000 1.429 225 K HN 0.331 nan 8.250 nan 0.000 0.434 226 A N 1.829 124.667 122.820 0.031 0.000 2.125 226 A HA -0.142 4.067 4.320 -0.185 0.000 0.219 226 A C 1.958 179.558 177.584 0.026 0.000 1.156 226 A CA 1.772 53.830 52.037 0.035 0.000 0.671 226 A CB -0.192 18.830 19.000 0.038 0.000 0.794 226 A HN 0.626 nan 8.150 nan 0.000 0.459 227 S N -1.116 114.597 115.700 0.022 0.000 2.496 227 S HA 0.166 4.525 4.470 -0.185 0.000 0.224 227 S C 0.535 175.144 174.600 0.015 0.000 0.996 227 S CA -0.197 58.014 58.200 0.018 0.000 0.927 227 S CB -0.551 62.661 63.200 0.019 0.000 0.774 227 S HN 0.297 nan 8.310 nan 0.000 0.524 228 L N 3.104 124.336 121.223 0.016 0.000 2.534 228 L HA 0.228 4.457 4.340 -0.185 0.000 0.271 228 L C 1.259 178.135 176.870 0.010 0.000 1.178 228 L CA 0.236 55.083 54.840 0.011 0.000 0.907 228 L CB 0.275 42.340 42.059 0.011 0.000 1.164 228 L HN 0.079 nan 8.230 nan 0.000 0.482 229 R N 2.707 123.208 120.500 0.003 0.000 2.257 229 R HA 0.254 4.483 4.340 -0.185 0.000 0.195 229 R C -0.175 176.123 176.300 -0.003 0.000 0.921 229 R CA 0.153 56.255 56.100 0.004 0.000 1.069 229 R CB 0.506 30.806 30.300 0.001 0.000 1.115 229 R HN 0.664 nan 8.270 nan 0.000 0.571 230 E N 0.886 121.072 120.200 -0.024 0.000 2.246 230 E HA 0.315 4.554 4.350 -0.185 0.000 0.266 230 E C -1.795 174.772 176.600 -0.054 0.000 0.880 230 E CA -0.630 55.737 56.400 -0.054 0.000 0.762 230 E CB 1.520 31.153 29.700 -0.111 0.000 1.180 230 E HN -0.169 nan 8.360 nan 0.000 0.416 231 L N 3.869 125.070 121.223 -0.036 0.000 2.372 231 L HA 0.694 4.923 4.340 -0.185 0.000 0.273 231 L C -1.510 175.366 176.870 0.010 0.000 0.989 231 L CA -0.387 54.446 54.840 -0.011 0.000 0.841 231 L CB 1.422 43.494 42.059 0.022 0.000 1.225 231 L HN 0.561 nan 8.230 nan 0.000 0.414 232 A N 5.903 128.717 122.820 -0.011 0.000 2.258 232 A HA 0.728 4.937 4.320 -0.185 0.000 0.316 232 A C -0.245 177.388 177.584 0.080 0.000 1.279 232 A CA -0.328 51.755 52.037 0.077 0.000 0.876 232 A CB 0.410 19.401 19.000 -0.016 0.000 1.170 232 A HN 0.805 nan 8.150 nan 0.000 0.520 233 L N 3.264 124.544 121.223 0.095 0.000 3.358 233 L HA 0.269 4.499 4.340 -0.185 0.000 0.301 233 L C 1.219 177.975 176.870 -0.190 0.000 1.276 233 L CA -0.367 54.455 54.840 -0.031 0.000 1.028 233 L CB 0.540 42.586 42.059 -0.023 0.000 1.421 233 L HN 0.810 nan 8.230 nan 0.000 0.604 234 G N -0.835 107.777 108.800 -0.313 0.000 2.614 234 G HA2 0.185 4.034 3.960 -0.185 0.000 0.239 234 G HA3 0.185 4.034 3.960 -0.185 0.000 0.239 234 G C 0.701 174.952 174.900 -1.082 0.000 1.240 234 G CA 0.408 44.795 45.100 -1.188 0.000 0.842 234 G HN 0.193 nan 8.290 nan 0.000 0.584 235 S N -0.172 114.806 115.700 -1.204 0.000 3.706 235 S HA -0.166 4.194 4.470 -0.185 0.000 0.363 235 S C 0.091 174.481 174.600 -0.350 0.000 0.999 235 S CA 0.788 58.583 58.200 -0.675 0.000 1.143 235 S CB -1.469 61.357 63.200 -0.624 0.000 0.902 235 S HN 0.813 nan 8.310 nan 0.000 0.476 236 N N 0.873 119.401 118.700 -0.286 0.000 2.260 236 N HA 0.439 5.069 4.740 -0.185 0.000 0.293 236 N C -0.299 175.132 175.510 -0.132 0.000 1.058 236 N CA -0.161 52.785 53.050 -0.174 0.000 0.824 236 N CB 1.603 39.999 38.487 -0.151 0.000 1.551 236 N HN 0.306 nan 8.380 nan 0.000 0.475 237 K N 2.402 122.746 120.400 -0.093 0.000 2.083 237 K HA 0.242 4.451 4.320 -0.185 0.000 0.246 237 K C 1.135 177.701 176.600 -0.057 0.000 1.160 237 K CA -0.006 56.239 56.287 -0.069 0.000 1.060 237 K CB -1.217 31.252 32.500 -0.053 0.000 1.417 237 K HN 0.533 nan 8.250 nan 0.000 0.329 238 L N 0.552 121.740 121.223 -0.059 0.000 2.221 238 L HA 0.273 4.502 4.340 -0.185 0.000 0.202 238 L C 1.551 178.403 176.870 -0.030 0.000 1.074 238 L CA 0.631 55.445 54.840 -0.043 0.000 0.795 238 L CB -0.490 41.542 42.059 -0.044 0.000 0.960 238 L HN 0.939 nan 8.230 nan 0.000 0.458 239 G N 0.630 109.413 108.800 -0.029 0.000 2.750 239 G HA2 -0.262 3.587 3.960 -0.185 0.000 0.228 239 G HA3 -0.262 3.587 3.960 -0.185 0.000 0.228 239 G C -0.074 174.820 174.900 -0.010 0.000 1.367 239 G CA -0.007 45.082 45.100 -0.018 0.000 0.871 239 G HN 0.212 nan 8.290 nan 0.000 0.560 240 D N -0.554 119.843 120.400 -0.004 0.000 2.269 240 D HA -0.019 4.510 4.640 -0.185 0.000 0.208 240 D C 2.623 178.923 176.300 0.000 0.000 0.963 240 D CA 1.471 55.472 54.000 0.001 0.000 0.864 240 D CB -0.022 40.781 40.800 0.004 0.000 0.936 240 D HN 0.332 nan 8.370 nan 0.000 0.505 241 V N 0.954 120.866 119.914 -0.004 0.000 2.273 241 V HA -0.060 3.949 4.120 -0.185 0.000 0.242 241 V C 2.704 178.794 176.094 -0.006 0.000 1.035 241 V CA 1.806 64.103 62.300 -0.004 0.000 1.013 241 V CB -1.257 30.562 31.823 -0.007 0.000 0.652 241 V HN 0.158 nan 8.190 nan 0.000 0.452 242 G N 0.036 108.830 108.800 -0.010 0.000 2.513 242 G HA2 -0.317 3.532 3.960 -0.185 0.000 0.219 242 G HA3 -0.317 3.532 3.960 -0.185 0.000 0.219 242 G C 1.593 176.489 174.900 -0.005 0.000 1.160 242 G CA 1.437 46.530 45.100 -0.011 0.000 0.767 242 G HN 0.275 nan 8.290 nan 0.000 0.571 243 M N 1.045 120.644 119.600 -0.002 0.000 2.149 243 M HA -0.061 4.309 4.480 -0.185 0.000 0.261 243 M C 2.957 179.262 176.300 0.008 0.000 1.064 243 M CA 1.485 56.789 55.300 0.006 0.000 1.102 243 M CB -1.063 31.543 32.600 0.011 0.000 1.369 243 M HN 0.356 nan 8.290 nan 0.000 0.408 244 A N -0.303 122.520 122.820 0.006 0.000 1.968 244 A HA -0.137 4.072 4.320 -0.185 0.000 0.217 244 A C 1.963 179.550 177.584 0.005 0.000 1.169 244 A CA 1.324 53.365 52.037 0.006 0.000 0.638 244 A CB -0.518 18.485 19.000 0.005 0.000 0.812 244 A HN 0.607 nan 8.150 nan 0.000 0.446 245 E N -0.842 119.359 120.200 0.001 0.000 2.216 245 E HA -0.091 4.149 4.350 -0.185 0.000 0.192 245 E C 1.734 178.333 176.600 -0.002 0.000 0.988 245 E CA 0.821 57.220 56.400 -0.002 0.000 0.834 245 E CB -0.121 29.575 29.700 -0.006 0.000 0.772 245 E HN 0.492 nan 8.360 nan 0.000 0.479 246 L N 0.536 121.759 121.223 0.001 0.000 2.209 246 L HA -0.002 4.227 4.340 -0.185 0.000 0.207 246 L C 2.088 178.964 176.870 0.010 0.000 1.094 246 L CA 1.104 55.946 54.840 0.003 0.000 0.790 246 L CB -0.230 41.833 42.059 0.006 0.000 0.932 246 L HN 0.104 nan 8.230 nan 0.000 0.447 247 C N 0.486 119.795 119.300 0.015 0.000 2.413 247 C HA -0.099 4.250 4.460 -0.185 0.000 0.277 247 C C 0.016 175.022 174.990 0.027 0.000 1.265 247 C CA 0.943 59.974 59.018 0.022 0.000 1.752 247 C CB -1.737 26.015 27.740 0.021 0.000 1.998 247 C HN 0.441 nan 8.230 nan 0.000 0.489 248 P HA -0.025 nan 4.420 nan 0.000 0.217 248 P C 1.566 178.894 177.300 0.047 0.000 1.150 248 P CA 2.153 65.275 63.100 0.036 0.000 0.832 248 P CB -0.363 31.352 31.700 0.026 0.000 0.787 249 G N -0.504 108.304 108.800 0.014 0.000 2.448 249 G HA2 -0.159 3.690 3.960 -0.185 0.000 0.218 249 G HA3 -0.159 3.690 3.960 -0.185 0.000 0.218 249 G C 1.443 176.361 174.900 0.031 0.000 1.135 249 G CA 0.282 45.372 45.100 -0.017 0.000 0.784 249 G HN 0.230 nan 8.290 nan 0.000 0.543 250 L N -0.335 120.912 121.223 0.040 0.000 2.240 250 L HA 0.186 4.415 4.340 -0.185 0.000 0.211 250 L C 2.485 179.394 176.870 0.066 0.000 1.106 250 L CA 0.236 55.106 54.840 0.049 0.000 0.793 250 L CB -0.086 41.996 42.059 0.039 0.000 0.927 250 L HN 0.149 nan 8.230 nan 0.000 0.446 251 L N -1.595 119.671 121.223 0.072 0.000 2.554 251 L HA -0.033 4.197 4.340 -0.185 0.000 0.226 251 L C 1.201 178.126 176.870 0.091 0.000 1.137 251 L CA -0.037 54.842 54.840 0.065 0.000 0.863 251 L CB -0.446 41.643 42.059 0.049 0.000 0.985 251 L HN 0.227 nan 8.230 nan 0.000 0.451 252 H N 1.154 120.226 119.070 0.003 0.000 3.064 252 H HA -0.048 4.397 4.556 -0.185 0.000 0.329 252 H C -1.481 173.848 175.328 0.001 0.000 1.020 252 H CA -0.896 55.153 56.048 0.002 0.000 1.402 252 H CB 1.303 31.067 29.762 0.003 0.000 1.379 252 H HN -0.053 nan 8.280 nan 0.000 0.594 253 P HA -0.104 nan 4.420 nan 0.000 0.229 253 P C 1.259 178.533 177.300 -0.043 0.000 1.160 253 P CA 0.954 63.993 63.100 -0.103 0.000 0.777 253 P CB 0.221 31.833 31.700 -0.147 0.000 0.814 254 S N -2.261 113.440 115.700 0.001 0.000 2.458 254 S HA 0.048 4.407 4.470 -0.185 0.000 0.223 254 S C 1.224 175.877 174.600 0.089 0.000 1.019 254 S CA -0.058 58.186 58.200 0.073 0.000 0.937 254 S CB -0.975 62.313 63.200 0.146 0.000 0.788 254 S HN 0.043 nan 8.310 nan 0.000 0.511 255 S N 1.777 117.549 115.700 0.119 0.000 2.516 255 S HA 0.304 4.663 4.470 -0.185 0.000 0.282 255 S C 0.285 174.915 174.600 0.049 0.000 1.286 255 S CA -0.544 57.705 58.200 0.081 0.000 1.066 255 S CB -0.001 63.254 63.200 0.092 0.000 0.884 255 S HN 0.414 nan 8.310 nan 0.000 0.491 256 R N 4.447 124.969 120.500 0.036 0.000 2.776 256 R HA 0.208 4.437 4.340 -0.185 0.000 0.391 256 R C -0.406 175.908 176.300 0.023 0.000 1.116 256 R CA -0.446 55.669 56.100 0.024 0.000 1.056 256 R CB 0.068 30.379 30.300 0.019 0.000 1.369 256 R HN 0.613 nan 8.270 nan 0.000 0.590 257 L N 1.612 122.852 121.223 0.028 0.000 2.559 257 L HA -0.007 4.222 4.340 -0.185 0.000 0.282 257 L C 1.501 178.391 176.870 0.033 0.000 1.232 257 L CA 0.945 55.804 54.840 0.031 0.000 0.885 257 L CB 0.657 42.738 42.059 0.037 0.000 1.131 257 L HN 0.280 nan 8.230 nan 0.000 0.498 258 R N 2.051 122.572 120.500 0.036 0.000 2.221 258 R HA 0.122 4.352 4.340 -0.185 0.000 0.195 258 R C -0.251 176.095 176.300 0.075 0.000 0.956 258 R CA 0.398 56.525 56.100 0.044 0.000 1.064 258 R CB 0.563 30.886 30.300 0.039 0.000 1.049 258 R HN 0.690 nan 8.270 nan 0.000 0.534 259 T N 1.584 116.188 114.554 0.083 0.000 2.879 259 T HA 0.423 4.662 4.350 -0.185 0.000 0.290 259 T C -1.540 173.262 174.700 0.169 0.000 0.993 259 T CA -0.499 61.690 62.100 0.149 0.000 0.975 259 T CB 2.023 70.953 68.868 0.103 0.000 0.981 259 T HN 0.038 nan 8.240 nan 0.000 0.439 260 L N 3.495 124.899 121.223 0.302 0.000 2.404 260 L HA 0.671 4.900 4.340 -0.185 0.000 0.272 260 L C -2.075 175.134 176.870 0.564 0.000 0.980 260 L CA -0.536 54.491 54.840 0.312 0.000 0.836 260 L CB 0.952 43.128 42.059 0.194 0.000 1.238 260 L HN 0.648 nan 8.230 nan 0.000 0.408 261 W N 7.361 128.765 121.300 0.173 0.000 2.282 261 W HA 0.528 5.077 4.660 -0.185 0.000 0.322 261 W C 0.163 176.791 176.519 0.182 0.000 1.011 261 W CA -0.951 56.559 57.345 0.274 0.000 1.392 261 W CB 0.886 30.551 29.460 0.341 0.000 1.215 261 W HN 0.471 nan 8.180 nan 0.000 0.394 262 I N 2.453 123.207 120.570 0.306 0.000 2.944 262 I HA 0.288 4.347 4.170 -0.185 0.000 0.334 262 I C -0.110 176.046 176.117 0.066 0.000 1.420 262 I CA -0.738 60.620 61.300 0.097 0.000 0.856 262 I CB -0.397 37.652 38.000 0.082 0.000 2.091 262 I HN 0.140 nan 8.210 nan 0.000 0.571 263 W N 1.552 122.857 121.300 0.008 0.000 2.261 263 W HA 0.438 4.987 4.660 -0.185 0.000 0.323 263 W C 0.057 176.559 176.519 -0.028 0.000 1.243 263 W CA -0.625 56.692 57.345 -0.046 0.000 1.210 263 W CB -0.048 29.334 29.460 -0.130 0.000 1.149 263 W HN 0.473 nan 8.180 nan 0.000 0.562 264 E N 1.092 121.340 120.200 0.081 0.000 2.230 264 E HA -0.213 4.027 4.350 -0.185 0.000 0.206 264 E C 0.008 176.512 176.600 -0.160 0.000 1.309 264 E CA 0.318 56.700 56.400 -0.031 0.000 0.697 264 E CB -1.476 28.233 29.700 0.015 0.000 1.146 264 E HN 0.529 nan 8.360 nan 0.000 0.363 265 C N 0.279 119.513 119.300 -0.110 0.000 2.994 265 C HA 0.347 4.696 4.460 -0.185 0.000 0.284 265 C C 1.665 176.617 174.990 -0.063 0.000 1.404 265 C CA 0.159 59.109 59.018 -0.114 0.000 1.775 265 C CB -0.326 27.351 27.740 -0.104 0.000 2.458 265 C HN 0.917 nan 8.230 nan 0.000 0.593 266 G N 1.893 110.666 108.800 -0.045 0.000 2.179 266 G HA2 -0.259 3.590 3.960 -0.185 0.000 0.257 266 G HA3 -0.259 3.590 3.960 -0.185 0.000 0.257 266 G C -0.079 174.812 174.900 -0.015 0.000 1.010 266 G CA 0.177 45.260 45.100 -0.028 0.000 0.736 266 G HN 0.564 nan 8.290 nan 0.000 0.513 267 I N 0.840 121.405 120.570 -0.008 0.000 2.764 267 I HA 0.613 4.673 4.170 -0.185 0.000 0.294 267 I C 1.218 177.341 176.117 0.011 0.000 1.045 267 I CA 0.563 61.866 61.300 0.005 0.000 1.340 267 I CB 1.424 39.433 38.000 0.016 0.000 1.436 267 I HN 0.391 nan 8.210 nan 0.000 0.567 268 T N 0.544 115.109 114.554 0.018 0.000 2.626 268 T HA 0.581 4.820 4.350 -0.185 0.000 0.279 268 T C 0.827 175.550 174.700 0.037 0.000 0.983 268 T CA -0.145 61.970 62.100 0.024 0.000 1.059 268 T CB 0.900 69.779 68.868 0.018 0.000 1.396 268 T HN 0.486 nan 8.240 nan 0.000 0.519 269 A N 0.440 123.286 122.820 0.043 0.000 1.978 269 A HA 0.148 4.357 4.320 -0.185 0.000 0.220 269 A C 2.534 180.136 177.584 0.031 0.000 1.170 269 A CA 2.636 54.701 52.037 0.047 0.000 0.636 269 A CB -1.770 17.257 19.000 0.045 0.000 0.810 269 A HN 1.248 nan 8.150 nan 0.000 0.448 270 K N -0.942 119.472 120.400 0.023 0.000 1.985 270 K HA 0.023 4.232 4.320 -0.185 0.000 0.210 270 K C 2.426 179.036 176.600 0.017 0.000 1.047 270 K CA 1.822 58.119 56.287 0.016 0.000 0.932 270 K CB -1.899 30.609 32.500 0.012 0.000 0.716 270 K HN 0.679 nan 8.250 nan 0.000 0.439 271 G N 0.063 108.874 108.800 0.018 0.000 2.422 271 G HA2 -0.269 3.580 3.960 -0.185 0.000 0.218 271 G HA3 -0.269 3.580 3.960 -0.185 0.000 0.218 271 G C 1.978 176.894 174.900 0.026 0.000 1.146 271 G CA 1.194 46.305 45.100 0.019 0.000 0.769 271 G HN 0.695 nan 8.290 nan 0.000 0.547 272 C N 1.068 120.389 119.300 0.034 0.000 2.403 272 C HA 0.037 4.386 4.460 -0.185 0.000 0.279 272 C C 3.135 178.144 174.990 0.031 0.000 1.269 272 C CA 1.447 60.492 59.018 0.044 0.000 1.774 272 C CB -1.185 26.592 27.740 0.062 0.000 1.993 272 C HN 0.425 nan 8.230 nan 0.000 0.496 273 G N -0.360 108.452 108.800 0.021 0.000 2.402 273 G HA2 -0.151 3.699 3.960 -0.185 0.000 0.216 273 G HA3 -0.151 3.699 3.960 -0.185 0.000 0.216 273 G C 1.395 176.302 174.900 0.011 0.000 1.162 273 G CA 1.086 46.192 45.100 0.011 0.000 0.777 273 G HN 0.564 nan 8.290 nan 0.000 0.539 274 D N 0.259 120.668 120.400 0.014 0.000 2.097 274 D HA -0.109 4.421 4.640 -0.185 0.000 0.195 274 D C 2.448 178.759 176.300 0.018 0.000 0.989 274 D CA 0.779 54.787 54.000 0.014 0.000 0.827 274 D CB -0.242 40.567 40.800 0.015 0.000 0.966 274 D HN 0.196 nan 8.370 nan 0.000 0.456 275 L N 0.961 122.198 121.223 0.024 0.000 2.079 275 L HA -0.170 4.059 4.340 -0.185 0.000 0.210 275 L C 2.366 179.251 176.870 0.026 0.000 1.081 275 L CA 1.460 56.318 54.840 0.030 0.000 0.752 275 L CB -0.622 41.462 42.059 0.041 0.000 0.896 275 L HN 0.061 nan 8.230 nan 0.000 0.433 276 C N -0.654 118.658 119.300 0.020 0.000 2.419 276 C HA -0.123 4.226 4.460 -0.185 0.000 0.281 276 C C 2.807 177.801 174.990 0.006 0.000 1.336 276 C CA 0.724 59.749 59.018 0.012 0.000 1.770 276 C CB -1.067 26.675 27.740 0.003 0.000 1.929 276 C HN 0.514 nan 8.230 nan 0.000 0.509 277 R N -0.008 120.497 120.500 0.008 0.000 2.073 277 R HA -0.113 4.116 4.340 -0.185 0.000 0.234 277 R C 2.115 178.419 176.300 0.007 0.000 1.134 277 R CA 1.444 57.547 56.100 0.006 0.000 0.952 277 R CB -0.533 29.771 30.300 0.007 0.000 0.850 277 R HN 0.390 nan 8.270 nan 0.000 0.433 278 V N 1.314 121.235 119.914 0.013 0.000 2.255 278 V HA -0.265 3.744 4.120 -0.185 0.000 0.247 278 V C 2.236 178.335 176.094 0.008 0.000 1.051 278 V CA 1.580 63.889 62.300 0.015 0.000 1.018 278 V CB -0.471 31.366 31.823 0.024 0.000 0.641 278 V HN 0.220 nan 8.190 nan 0.000 0.445 279 L N 0.659 121.887 121.223 0.008 0.000 2.043 279 L HA -0.188 4.041 4.340 -0.185 0.000 0.212 279 L C 2.630 179.492 176.870 -0.013 0.000 1.075 279 L CA 2.152 56.992 54.840 -0.000 0.000 0.752 279 L CB -1.107 40.956 42.059 0.006 0.000 0.891 279 L HN 0.506 nan 8.230 nan 0.000 0.432 280 R N -1.429 119.066 120.500 -0.009 0.000 2.307 280 R HA 0.151 4.380 4.340 -0.185 0.000 0.199 280 R C 1.694 177.984 176.300 -0.016 0.000 1.000 280 R CA 0.902 56.994 56.100 -0.013 0.000 1.023 280 R CB -0.377 29.918 30.300 -0.008 0.000 0.908 280 R HN 0.237 nan 8.270 nan 0.000 0.473 281 A N 1.435 124.246 122.820 -0.014 0.000 2.035 281 A HA 0.161 4.370 4.320 -0.185 0.000 0.208 281 A C 0.316 177.888 177.584 -0.020 0.000 1.206 281 A CA 0.035 52.064 52.037 -0.014 0.000 0.773 281 A CB 0.415 19.412 19.000 -0.006 0.000 0.878 281 A HN 0.058 nan 8.150 nan 0.000 0.469 282 K N 1.878 122.265 120.400 -0.021 0.000 2.334 282 K HA 0.177 4.386 4.320 -0.185 0.000 0.265 282 K C -0.343 176.227 176.600 -0.049 0.000 1.039 282 K CA -0.301 55.971 56.287 -0.024 0.000 0.920 282 K CB 1.257 33.754 32.500 -0.006 0.000 1.160 282 K HN 0.489 nan 8.250 nan 0.000 0.451 283 E N 1.541 121.699 120.200 -0.070 0.000 2.511 283 E HA -0.078 4.161 4.350 -0.185 0.000 0.196 283 E C 0.597 177.141 176.600 -0.094 0.000 1.066 283 E CA 0.488 56.816 56.400 -0.120 0.000 0.871 283 E CB 0.085 29.697 29.700 -0.147 0.000 0.863 283 E HN 0.415 nan 8.360 nan 0.000 0.520 284 S N 0.645 116.315 115.700 -0.049 0.000 2.446 284 S HA -0.009 4.350 4.470 -0.185 0.000 0.225 284 S C 1.035 175.627 174.600 -0.013 0.000 1.016 284 S CA -0.297 57.888 58.200 -0.026 0.000 0.943 284 S CB -0.337 62.859 63.200 -0.007 0.000 0.786 284 S HN 0.223 nan 8.310 nan 0.000 0.508 285 L N 2.808 124.024 121.223 -0.012 0.000 2.456 285 L HA 0.320 4.549 4.340 -0.185 0.000 0.277 285 L C 0.696 177.565 176.870 -0.002 0.000 1.124 285 L CA 0.167 55.012 54.840 0.009 0.000 0.880 285 L CB 0.323 42.392 42.059 0.017 0.000 1.192 285 L HN -0.071 nan 8.230 nan 0.000 0.463 286 K N 3.238 123.650 120.400 0.021 0.000 2.365 286 K HA 0.290 4.499 4.320 -0.185 0.000 0.195 286 K C -0.129 176.487 176.600 0.026 0.000 1.079 286 K CA 0.482 56.779 56.287 0.017 0.000 0.979 286 K CB 0.492 33.011 32.500 0.032 0.000 0.929 286 K HN 0.595 nan 8.250 nan 0.000 0.523 287 E N 0.861 121.108 120.200 0.078 0.000 2.222 287 E HA 0.410 4.649 4.350 -0.185 0.000 0.267 287 E C -1.463 175.229 176.600 0.154 0.000 0.884 287 E CA -0.796 55.667 56.400 0.106 0.000 0.764 287 E CB 1.870 31.742 29.700 0.288 0.000 1.169 287 E HN -0.189 nan 8.360 nan 0.000 0.413 288 L N 1.973 123.222 121.223 0.043 0.000 2.470 288 L HA 0.396 4.625 4.340 -0.185 0.000 0.268 288 L C -1.332 175.588 176.870 0.083 0.000 0.964 288 L CA -0.313 54.593 54.840 0.110 0.000 0.839 288 L CB 2.106 44.200 42.059 0.058 0.000 1.276 288 L HN 0.414 nan 8.230 nan 0.000 0.403 289 S N 5.153 120.984 115.700 0.217 0.000 2.474 289 S HA 0.609 4.969 4.470 -0.185 0.000 0.321 289 S C 0.182 174.890 174.600 0.179 0.000 1.080 289 S CA -0.455 57.877 58.200 0.219 0.000 1.106 289 S CB 0.507 63.613 63.200 -0.157 0.000 0.984 289 S HN 0.746 nan 8.310 nan 0.000 0.464 290 L N 3.734 125.052 121.223 0.159 0.000 3.016 290 L HA 0.441 4.670 4.340 -0.185 0.000 0.267 290 L C 1.100 178.033 176.870 0.106 0.000 1.182 290 L CA -0.357 54.565 54.840 0.136 0.000 0.997 290 L CB 0.092 42.229 42.059 0.130 0.000 1.354 290 L HN 0.758 nan 8.230 nan 0.000 0.569 291 A N 0.022 122.901 122.820 0.099 0.000 2.586 291 A HA 0.303 4.513 4.320 -0.185 0.000 0.231 291 A C 1.538 179.165 177.584 0.071 0.000 1.055 291 A CA 0.988 53.043 52.037 0.031 0.000 0.756 291 A CB -0.287 18.669 19.000 -0.074 0.000 0.988 291 A HN 0.682 nan 8.150 nan 0.000 0.509 292 G N 1.378 110.179 108.800 0.002 0.000 2.166 292 G HA2 -0.240 3.609 3.960 -0.185 0.000 0.260 292 G HA3 -0.240 3.609 3.960 -0.185 0.000 0.260 292 G C 0.059 174.962 174.900 0.004 0.000 0.986 292 G CA 0.400 45.511 45.100 0.019 0.000 0.683 292 G HN 0.892 nan 8.290 nan 0.000 0.527 293 N N 0.881 119.570 118.700 -0.018 0.000 2.419 293 N HA 0.525 5.154 4.740 -0.185 0.000 0.277 293 N C 0.304 175.781 175.510 -0.055 0.000 1.006 293 N CA 0.505 53.544 53.050 -0.019 0.000 0.923 293 N CB 1.286 39.776 38.487 0.006 0.000 1.140 293 N HN 0.581 nan 8.380 nan 0.000 0.488 294 E N 3.404 123.582 120.200 -0.037 0.000 1.774 294 E HA 0.091 4.330 4.350 -0.185 0.000 0.265 294 E C 1.136 177.728 176.600 -0.014 0.000 1.207 294 E CA 0.031 56.407 56.400 -0.040 0.000 1.054 294 E CB -0.894 28.796 29.700 -0.017 0.000 1.074 294 E HN 0.562 nan 8.360 nan 0.000 0.433 295 L N 0.992 122.199 121.223 -0.027 0.000 2.202 295 L HA 0.364 4.593 4.340 -0.185 0.000 0.205 295 L C 1.658 178.612 176.870 0.141 0.000 1.083 295 L CA 0.681 55.564 54.840 0.071 0.000 0.790 295 L CB -0.534 41.613 42.059 0.147 0.000 0.942 295 L HN 0.870 nan 8.230 nan 0.000 0.452 296 G N 0.558 109.444 108.800 0.145 0.000 2.860 296 G HA2 -0.251 3.598 3.960 -0.185 0.000 0.553 296 G HA3 -0.251 3.598 3.960 -0.185 0.000 0.553 296 G C -0.052 175.090 174.900 0.404 0.000 1.439 296 G CA -0.107 45.132 45.100 0.232 0.000 0.879 296 G HN 0.208 nan 8.290 nan 0.000 0.545 297 D N -0.073 120.504 120.400 0.295 0.000 2.309 297 D HA -0.065 4.464 4.640 -0.185 0.000 0.212 297 D C 2.098 178.444 176.300 0.077 0.000 0.968 297 D CA 1.424 55.535 54.000 0.186 0.000 0.882 297 D CB 0.107 40.987 40.800 0.132 0.000 0.918 297 D HN 0.475 nan 8.370 nan 0.000 0.503 298 E N 0.761 121.015 120.200 0.091 0.000 2.107 298 E HA -0.060 4.180 4.350 -0.185 0.000 0.191 298 E C 2.131 178.748 176.600 0.028 0.000 0.982 298 E CA 1.202 57.622 56.400 0.034 0.000 0.809 298 E CB -0.641 29.084 29.700 0.041 0.000 0.756 298 E HN 0.266 nan 8.360 nan 0.000 0.459 299 G N 0.149 109.018 108.800 0.115 0.000 2.403 299 G HA2 -0.122 3.727 3.960 -0.185 0.000 0.216 299 G HA3 -0.122 3.727 3.960 -0.185 0.000 0.216 299 G C 1.689 176.650 174.900 0.102 0.000 1.154 299 G CA 0.860 46.040 45.100 0.134 0.000 0.784 299 G HN 0.407 nan 8.290 nan 0.000 0.538 300 A N 0.737 123.605 122.820 0.079 0.000 1.933 300 A HA -0.009 4.200 4.320 -0.185 0.000 0.218 300 A C 2.287 179.605 177.584 -0.444 0.000 1.175 300 A CA 1.794 53.626 52.037 -0.342 0.000 0.628 300 A CB -0.411 18.095 19.000 -0.824 0.000 0.814 300 A HN 0.359 nan 8.150 nan 0.000 0.444 301 R N -0.335 119.958 120.500 -0.345 0.000 2.092 301 R HA -0.024 4.205 4.340 -0.185 0.000 0.231 301 R C 1.926 178.022 176.300 -0.339 0.000 1.119 301 R CA 1.310 57.123 56.100 -0.479 0.000 0.970 301 R CB -0.350 29.701 30.300 -0.415 0.000 0.864 301 R HN 0.532 nan 8.270 nan 0.000 0.440 302 L N 0.553 121.660 121.223 -0.192 0.000 2.017 302 L HA -0.196 4.033 4.340 -0.185 0.000 0.208 302 L C 2.484 179.286 176.870 -0.113 0.000 1.073 302 L CA 1.165 55.934 54.840 -0.120 0.000 0.745 302 L CB -0.501 41.527 42.059 -0.052 0.000 0.894 302 L HN 0.270 nan 8.230 nan 0.000 0.432 303 L N -0.809 120.350 121.223 -0.107 0.000 1.989 303 L HA -0.294 3.935 4.340 -0.185 0.000 0.211 303 L C 2.791 179.581 176.870 -0.133 0.000 1.071 303 L CA 1.502 56.299 54.840 -0.072 0.000 0.749 303 L CB -0.673 41.382 42.059 -0.006 0.000 0.890 303 L HN 0.417 nan 8.230 nan 0.000 0.431 304 C N -0.242 118.883 119.300 -0.292 0.000 2.413 304 C HA -0.141 4.208 4.460 -0.185 0.000 0.277 304 C C 2.643 177.537 174.990 -0.160 0.000 1.265 304 C CA 0.601 59.447 59.018 -0.288 0.000 1.752 304 C CB -0.862 26.595 27.740 -0.473 0.000 1.998 304 C HN 0.503 nan 8.230 nan 0.000 0.489 305 E N 0.210 120.309 120.200 -0.168 0.000 2.072 305 E HA -0.157 4.082 4.350 -0.185 0.000 0.191 305 E C 2.122 178.689 176.600 -0.056 0.000 0.985 305 E CA 1.687 58.024 56.400 -0.105 0.000 0.801 305 E CB -0.362 29.270 29.700 -0.115 0.000 0.750 305 E HN 0.645 nan 8.360 nan 0.000 0.452 306 T N 1.873 116.396 114.554 -0.051 0.000 2.777 306 T HA -0.081 4.159 4.350 -0.185 0.000 0.266 306 T C 1.983 176.681 174.700 -0.003 0.000 1.040 306 T CA 0.650 62.737 62.100 -0.022 0.000 1.141 306 T CB -0.167 68.691 68.868 -0.016 0.000 0.868 306 T HN 0.082 nan 8.240 nan 0.000 0.444 307 L N 0.339 121.561 121.223 -0.002 0.000 2.450 307 L HA 0.057 4.286 4.340 -0.185 0.000 0.224 307 L C 1.939 178.839 176.870 0.050 0.000 1.149 307 L CA 0.805 55.665 54.840 0.033 0.000 0.816 307 L CB -0.308 41.776 42.059 0.042 0.000 0.932 307 L HN 0.282 nan 8.230 nan 0.000 0.449 308 L N -1.503 119.735 121.223 0.024 0.000 2.590 308 L HA 0.118 4.348 4.340 -0.185 0.000 0.227 308 L C 0.782 177.674 176.870 0.038 0.000 1.099 308 L CA -0.123 54.737 54.840 0.033 0.000 0.872 308 L CB 0.255 42.322 42.059 0.013 0.000 1.088 308 L HN 0.121 nan 8.230 nan 0.000 0.479 309 E N 1.047 121.263 120.200 0.028 0.000 2.354 309 E HA 0.170 4.409 4.350 -0.185 0.000 0.269 309 E C -2.184 174.443 176.600 0.045 0.000 1.036 309 E CA -1.946 54.469 56.400 0.026 0.000 0.876 309 E CB 0.910 30.615 29.700 0.009 0.000 1.009 309 E HN -0.074 nan 8.360 nan 0.000 0.416 310 P HA 0.138 nan 4.420 nan 0.000 0.275 310 P C 0.376 177.691 177.300 0.024 0.000 1.228 310 P CA 0.250 63.389 63.100 0.064 0.000 0.786 310 P CB 0.997 32.732 31.700 0.058 0.000 0.927 311 G N 0.711 109.510 108.800 -0.003 0.000 2.339 311 G HA2 -0.217 3.633 3.960 -0.185 0.000 0.209 311 G HA3 -0.217 3.633 3.960 -0.185 0.000 0.209 311 G C 0.066 174.907 174.900 -0.097 0.000 1.015 311 G CA -0.059 45.012 45.100 -0.049 0.000 0.635 311 G HN 0.810 nan 8.290 nan 0.000 0.499 312 C N 2.215 121.469 119.300 -0.076 0.000 2.373 312 C HA 0.768 5.117 4.460 -0.185 0.000 0.354 312 C C 1.081 175.952 174.990 -0.199 0.000 1.249 312 C CA 0.108 59.071 59.018 -0.092 0.000 1.784 312 C CB 0.132 27.857 27.740 -0.026 0.000 2.408 312 C HN 0.522 nan 8.230 nan 0.000 0.542 313 Q N 3.852 123.461 119.800 -0.318 0.000 2.182 313 Q HA 0.230 4.459 4.340 -0.185 0.000 0.270 313 Q C -0.190 175.670 176.000 -0.233 0.000 0.861 313 Q CA -0.496 54.948 55.803 -0.598 0.000 1.098 313 Q CB 0.577 28.766 28.738 -0.914 0.000 1.188 313 Q HN 0.789 nan 8.270 nan 0.000 0.464 314 L N 1.259 122.428 121.223 -0.091 0.000 2.543 314 L HA -0.122 4.107 4.340 -0.185 0.000 0.285 314 L C 0.969 177.847 176.870 0.014 0.000 1.236 314 L CA 1.414 56.235 54.840 -0.030 0.000 0.871 314 L CB 0.574 42.624 42.059 -0.014 0.000 1.121 314 L HN 0.256 nan 8.230 nan 0.000 0.501 315 E N 0.872 121.070 120.200 -0.003 0.000 2.364 315 E HA 0.165 4.404 4.350 -0.185 0.000 0.203 315 E C -0.306 176.255 176.600 -0.064 0.000 0.888 315 E CA 0.138 56.550 56.400 0.019 0.000 0.989 315 E CB 0.540 30.267 29.700 0.046 0.000 0.985 315 E HN 0.629 nan 8.360 nan 0.000 0.499 316 S N 1.128 116.723 115.700 -0.176 0.000 2.532 316 S HA 0.504 4.863 4.470 -0.185 0.000 0.299 316 S C -1.155 173.060 174.600 -0.640 0.000 1.105 316 S CA -0.672 57.236 58.200 -0.486 0.000 1.018 316 S CB 2.119 64.946 63.200 -0.622 0.000 1.021 316 S HN 0.079 nan 8.310 nan 0.000 0.483 317 L N 3.315 124.128 121.223 -0.684 0.000 2.446 317 L HA 0.632 4.862 4.340 -0.185 0.000 0.268 317 L C -2.205 174.438 176.870 -0.377 0.000 0.975 317 L CA -0.388 54.185 54.840 -0.445 0.000 0.848 317 L CB 0.574 42.566 42.059 -0.112 0.000 1.225 317 L HN 0.802 nan 8.230 nan 0.000 0.410 318 W N 6.068 127.365 121.300 -0.004 0.000 2.288 318 W HA 0.573 5.123 4.660 -0.183 0.000 0.325 318 W C 0.229 176.718 176.519 -0.051 0.000 1.019 318 W CA -1.124 56.168 57.345 -0.088 0.000 1.403 318 W CB 1.115 30.429 29.460 -0.243 0.000 1.226 318 W HN 0.417 nan 8.180 nan 0.000 0.391 319 V N 1.321 121.346 119.914 0.186 0.000 2.699 319 V HA 0.250 4.259 4.120 -0.185 0.000 0.311 319 V C 0.260 176.381 176.094 0.045 0.000 1.160 319 V CA -1.095 61.295 62.300 0.151 0.000 1.313 319 V CB -0.382 31.664 31.823 0.372 0.000 1.553 319 V HN 0.511 nan 8.190 nan 0.000 0.630 320 K N 0.901 121.301 120.400 -0.001 0.000 2.237 320 K HA 0.338 4.547 4.320 -0.185 0.000 0.270 320 K C 0.629 177.166 176.600 -0.104 0.000 1.015 320 K CA 0.681 56.936 56.287 -0.052 0.000 0.949 320 K CB 0.637 33.076 32.500 -0.101 0.000 0.976 320 K HN 0.598 nan 8.250 nan 0.000 0.472 321 S N 1.804 117.440 115.700 -0.107 0.000 3.524 321 S HA -0.161 4.198 4.470 -0.185 0.000 0.377 321 S C 0.127 174.607 174.600 -0.201 0.000 0.949 321 S CA 0.526 58.653 58.200 -0.121 0.000 1.264 321 S CB -1.987 61.166 63.200 -0.078 0.000 0.918 321 S HN 0.680 nan 8.310 nan 0.000 0.517 322 C N 0.963 120.023 119.300 -0.400 0.000 2.881 322 C HA 0.452 4.802 4.460 -0.185 0.000 0.290 322 C C 1.420 176.072 174.990 -0.565 0.000 1.362 322 C CA 0.073 58.735 59.018 -0.594 0.000 1.757 322 C CB -1.131 25.959 27.740 -1.084 0.000 2.265 322 C HN 0.930 nan 8.230 nan 0.000 0.600 323 S N 0.553 116.076 115.700 -0.294 0.000 3.672 323 S HA -0.158 4.201 4.470 -0.185 0.000 0.319 323 S C -0.182 174.455 174.600 0.062 0.000 1.151 323 S CA 0.396 58.542 58.200 -0.090 0.000 0.911 323 S CB -1.380 61.794 63.200 -0.044 0.000 0.939 323 S HN 0.571 nan 8.310 nan 0.000 0.524 324 F N 1.894 121.894 119.950 0.083 0.000 2.371 324 F HA 0.636 5.052 4.527 -0.185 0.000 0.329 324 F C 1.376 177.231 175.800 0.091 0.000 1.107 324 F CA -0.484 57.582 58.000 0.110 0.000 1.137 324 F CB 0.768 39.863 39.000 0.159 0.000 1.214 324 F HN 0.249 nan 8.300 nan 0.000 0.536 325 T N -2.016 112.716 114.554 0.297 0.000 2.742 325 T HA 0.653 4.892 4.350 -0.185 0.000 0.282 325 T C 0.808 175.602 174.700 0.155 0.000 1.025 325 T CA -0.254 61.955 62.100 0.181 0.000 1.020 325 T CB 1.240 70.186 68.868 0.129 0.000 1.317 325 T HN 0.552 nan 8.240 nan 0.000 0.538 326 A N 0.084 122.970 122.820 0.109 0.000 2.131 326 A HA 0.213 4.422 4.320 -0.185 0.000 0.220 326 A C 2.460 180.088 177.584 0.073 0.000 1.158 326 A CA 1.999 54.087 52.037 0.086 0.000 0.665 326 A CB -1.552 17.485 19.000 0.061 0.000 0.795 326 A HN 1.322 nan 8.150 nan 0.000 0.460 327 A N -0.440 122.427 122.820 0.078 0.000 2.019 327 A HA -0.171 4.038 4.320 -0.185 0.000 0.219 327 A C 2.309 179.934 177.584 0.069 0.000 1.164 327 A CA 1.684 53.758 52.037 0.062 0.000 0.644 327 A CB -1.351 17.692 19.000 0.072 0.000 0.805 327 A HN 1.266 nan 8.150 nan 0.000 0.449 328 C N -2.775 116.581 119.300 0.093 0.000 2.514 328 C HA 0.071 4.420 4.460 -0.185 0.000 0.271 328 C C 2.390 177.437 174.990 0.094 0.000 1.399 328 C CA 0.204 59.272 59.018 0.083 0.000 1.765 328 C CB -2.027 25.684 27.740 -0.049 0.000 1.893 328 C HN 0.601 nan 8.230 nan 0.000 0.531 329 C N 2.734 122.102 119.300 0.113 0.000 2.422 329 C HA -0.063 4.286 4.460 -0.185 0.000 0.286 329 C C 3.144 178.156 174.990 0.037 0.000 1.412 329 C CA 1.786 60.881 59.018 0.129 0.000 1.786 329 C CB -1.646 26.150 27.740 0.094 0.000 1.835 329 C HN 0.875 nan 8.230 nan 0.000 0.533 330 S N -0.228 115.416 115.700 -0.093 0.000 2.428 330 S HA -0.128 4.231 4.470 -0.185 0.000 0.230 330 S C 1.251 175.710 174.600 -0.235 0.000 1.014 330 S CA 1.137 59.221 58.200 -0.193 0.000 0.957 330 S CB -0.660 62.347 63.200 -0.322 0.000 0.784 330 S HN 0.772 nan 8.310 nan 0.000 0.499 331 H N 0.036 119.053 119.070 -0.088 0.000 2.329 331 H HA 0.245 4.690 4.556 -0.185 0.000 0.306 331 H C 1.506 176.731 175.328 -0.172 0.000 1.062 331 H CA 1.438 57.380 56.048 -0.177 0.000 1.364 331 H CB -0.281 29.296 29.762 -0.309 0.000 1.409 331 H HN 0.308 nan 8.280 nan 0.000 0.519 332 F N 0.499 120.472 119.950 0.039 0.000 2.250 332 F HA -0.223 4.193 4.527 -0.184 0.000 0.301 332 F C 2.747 178.546 175.800 -0.003 0.000 1.077 332 F CA 1.325 59.322 58.000 -0.004 0.000 1.348 332 F CB -0.473 38.505 39.000 -0.036 0.000 1.040 332 F HN 0.126 nan 8.300 nan 0.000 0.509 333 S N -1.366 114.423 115.700 0.148 0.000 2.383 333 S HA -0.172 4.187 4.470 -0.185 0.000 0.227 333 S C 2.438 177.067 174.600 0.049 0.000 1.026 333 S CA 1.595 59.841 58.200 0.076 0.000 0.981 333 S CB -0.465 62.751 63.200 0.028 0.000 0.818 333 S HN 0.289 nan 8.310 nan 0.000 0.472 334 S N 0.220 115.940 115.700 0.033 0.000 2.355 334 S HA -0.039 4.320 4.470 -0.185 0.000 0.222 334 S C 1.825 176.447 174.600 0.036 0.000 1.031 334 S CA 1.334 59.547 58.200 0.022 0.000 0.993 334 S CB -0.448 62.762 63.200 0.017 0.000 0.859 334 S HN 0.448 nan 8.310 nan 0.000 0.453 335 V N 2.341 122.288 119.914 0.056 0.000 2.287 335 V HA -0.173 3.836 4.120 -0.185 0.000 0.248 335 V C 2.198 178.334 176.094 0.071 0.000 1.053 335 V CA 1.619 63.960 62.300 0.070 0.000 1.027 335 V CB -0.735 31.152 31.823 0.107 0.000 0.646 335 V HN 0.456 nan 8.190 nan 0.000 0.447 336 L N 0.067 121.340 121.223 0.084 0.000 2.191 336 L HA -0.142 4.088 4.340 -0.185 0.000 0.212 336 L C 2.557 179.443 176.870 0.027 0.000 1.103 336 L CA 1.459 56.332 54.840 0.056 0.000 0.769 336 L CB -0.698 41.395 42.059 0.056 0.000 0.908 336 L HN 0.386 nan 8.230 nan 0.000 0.438 337 A N -1.092 121.742 122.820 0.023 0.000 2.072 337 A HA -0.079 4.130 4.320 -0.185 0.000 0.216 337 A C 2.125 179.710 177.584 0.001 0.000 1.156 337 A CA 0.798 52.839 52.037 0.008 0.000 0.701 337 A CB 0.027 19.031 19.000 0.006 0.000 0.816 337 A HN 0.469 nan 8.150 nan 0.000 0.458 338 Q N -1.154 118.650 119.800 0.007 0.000 2.548 338 Q HA 0.089 4.318 4.340 -0.185 0.000 0.230 338 Q C 0.286 176.278 176.000 -0.013 0.000 0.899 338 Q CA -0.406 55.396 55.803 -0.002 0.000 0.936 338 Q CB 0.042 28.785 28.738 0.008 0.000 1.114 338 Q HN 0.533 nan 8.270 nan 0.000 0.606 339 N N 1.975 120.682 118.700 0.011 0.000 2.411 339 N HA -0.064 4.566 4.740 -0.185 0.000 0.265 339 N C 0.207 175.683 175.510 -0.055 0.000 1.266 339 N CA 0.429 53.490 53.050 0.019 0.000 0.889 339 N CB 0.588 39.123 38.487 0.081 0.000 1.069 339 N HN 0.162 nan 8.380 nan 0.000 0.476 340 R N 3.373 123.745 120.500 -0.214 0.000 2.317 340 R HA 0.067 4.297 4.340 -0.185 0.000 0.208 340 R C 0.350 176.367 176.300 -0.471 0.000 0.914 340 R CA 0.254 56.122 56.100 -0.387 0.000 1.060 340 R CB 0.070 30.042 30.300 -0.547 0.000 1.015 340 R HN 0.548 nan 8.270 nan 0.000 0.498 341 F N -0.353 119.605 119.950 0.012 0.000 2.680 341 F HA 0.185 4.601 4.527 -0.185 0.000 0.290 341 F C 0.889 176.692 175.800 0.006 0.000 1.114 341 F CA -0.596 57.411 58.000 0.010 0.000 1.333 341 F CB 0.004 39.010 39.000 0.010 0.000 1.091 341 F HN -0.154 nan 8.300 nan 0.000 0.606 342 L N 1.763 123.095 121.223 0.181 0.000 2.433 342 L HA 0.155 4.384 4.340 -0.185 0.000 0.275 342 L C 0.306 177.210 176.870 0.057 0.000 1.128 342 L CA 0.486 55.384 54.840 0.098 0.000 0.875 342 L CB 0.308 42.419 42.059 0.086 0.000 1.171 342 L HN 0.180 nan 8.230 nan 0.000 0.463 343 L N 3.377 124.625 121.223 0.042 0.000 2.672 343 L HA 0.380 4.609 4.340 -0.185 0.000 0.236 343 L C 0.209 177.097 176.870 0.030 0.000 1.092 343 L CA -0.033 54.828 54.840 0.035 0.000 0.887 343 L CB 0.075 42.164 42.059 0.050 0.000 1.168 343 L HN 0.539 nan 8.230 nan 0.000 0.502 344 E N 1.601 121.805 120.200 0.006 0.000 2.241 344 E HA 0.503 4.742 4.350 -0.185 0.000 0.263 344 E C -1.649 174.941 176.600 -0.016 0.000 0.882 344 E CA -0.514 55.905 56.400 0.031 0.000 0.769 344 E CB 3.213 32.926 29.700 0.021 0.000 1.185 344 E HN -0.130 nan 8.360 nan 0.000 0.415 345 L N 2.928 124.217 121.223 0.109 0.000 2.406 345 L HA 0.268 4.497 4.340 -0.185 0.000 0.272 345 L C -1.189 175.874 176.870 0.322 0.000 0.980 345 L CA -0.233 54.666 54.840 0.098 0.000 0.831 345 L CB 1.836 43.890 42.059 -0.007 0.000 1.253 345 L HN 0.473 nan 8.230 nan 0.000 0.406 346 Q N 5.842 125.853 119.800 0.353 0.000 2.394 346 Q HA 0.455 4.684 4.340 -0.185 0.000 0.259 346 Q C -0.335 175.772 176.000 0.178 0.000 1.021 346 Q CA -0.338 55.704 55.803 0.399 0.000 0.805 346 Q CB 0.891 29.797 28.738 0.280 0.000 1.226 346 Q HN 0.869 nan 8.270 nan 0.000 0.476 347 I N 0.060 120.712 120.570 0.136 0.000 3.856 347 I HA 0.289 4.348 4.170 -0.185 0.000 0.330 347 I C 0.162 176.342 176.117 0.105 0.000 1.546 347 I CA -0.624 60.728 61.300 0.087 0.000 1.132 347 I CB 0.694 38.686 38.000 -0.013 0.000 1.157 347 I HN 0.207 nan 8.210 nan 0.000 0.440 348 S N 1.885 117.652 115.700 0.111 0.000 2.569 348 S HA 0.040 4.400 4.470 -0.185 0.000 0.274 348 S C 0.907 175.529 174.600 0.037 0.000 1.353 348 S CA 0.109 58.360 58.200 0.085 0.000 1.023 348 S CB -0.009 63.236 63.200 0.075 0.000 0.876 348 S HN 0.643 nan 8.310 nan 0.000 0.540 349 N N 1.377 120.097 118.700 0.032 0.000 2.727 349 N HA -0.192 4.438 4.740 -0.185 0.000 0.249 349 N C -1.214 174.302 175.510 0.010 0.000 1.048 349 N CA 0.404 53.460 53.050 0.010 0.000 0.714 349 N CB -1.046 37.428 38.487 -0.022 0.000 0.959 349 N HN 0.510 nan 8.380 nan 0.000 0.544 350 N N 0.380 119.108 118.700 0.048 0.000 2.249 350 N HA 0.211 4.840 4.740 -0.185 0.000 0.296 350 N C -0.316 175.249 175.510 0.092 0.000 1.051 350 N CA -0.525 52.571 53.050 0.077 0.000 0.815 350 N CB 1.314 39.895 38.487 0.157 0.000 1.487 350 N HN 0.069 nan 8.380 nan 0.000 0.475 351 R N 2.221 122.775 120.500 0.089 0.000 3.247 351 R HA 0.212 4.441 4.340 -0.185 0.000 0.212 351 R C 1.243 177.601 176.300 0.096 0.000 1.604 351 R CA 0.053 56.201 56.100 0.080 0.000 1.279 351 R CB -0.047 30.292 30.300 0.066 0.000 1.277 351 R HN 0.453 nan 8.270 nan 0.000 0.669 352 L N 0.617 121.898 121.223 0.096 0.000 2.209 352 L HA 0.022 4.251 4.340 -0.185 0.000 0.207 352 L C 0.327 177.239 176.870 0.071 0.000 1.094 352 L CA 0.370 55.267 54.840 0.095 0.000 0.790 352 L CB -0.258 41.855 42.059 0.091 0.000 0.932 352 L HN 0.546 nan 8.230 nan 0.000 0.447 353 E N -0.439 119.798 120.200 0.061 0.000 9.129 353 E HA -0.231 4.008 4.350 -0.185 0.000 0.468 353 E C 0.246 176.872 176.600 0.043 0.000 1.365 353 E CA 0.766 57.195 56.400 0.049 0.000 2.372 353 E CB -0.171 29.556 29.700 0.046 0.000 1.025 353 E HN 0.153 nan 8.360 nan 0.000 0.292 354 D N -0.124 120.298 120.400 0.037 0.000 2.182 354 D HA -0.190 4.339 4.640 -0.185 0.000 0.201 354 D C 1.648 177.965 176.300 0.027 0.000 0.986 354 D CA 1.768 55.786 54.000 0.031 0.000 0.847 354 D CB -0.254 40.562 40.800 0.027 0.000 0.942 354 D HN 0.454 nan 8.370 nan 0.000 0.467 355 A N 0.811 123.648 122.820 0.028 0.000 1.873 355 A HA 0.022 4.231 4.320 -0.185 0.000 0.215 355 A C 2.405 180.006 177.584 0.028 0.000 1.186 355 A CA 1.937 53.989 52.037 0.024 0.000 0.616 355 A CB -1.000 18.013 19.000 0.023 0.000 0.823 355 A HN 0.293 nan 8.150 nan 0.000 0.442 356 G N -0.470 108.353 108.800 0.039 0.000 2.421 356 G HA2 -0.129 3.720 3.960 -0.185 0.000 0.216 356 G HA3 -0.129 3.720 3.960 -0.185 0.000 0.216 356 G C 1.516 176.442 174.900 0.044 0.000 1.171 356 G CA 1.283 46.413 45.100 0.049 0.000 0.775 356 G HN 0.304 nan 8.290 nan 0.000 0.543 357 V N 1.338 121.275 119.914 0.039 0.000 2.343 357 V HA -0.130 3.879 4.120 -0.185 0.000 0.247 357 V C 3.479 179.586 176.094 0.021 0.000 1.051 357 V CA 2.625 64.944 62.300 0.031 0.000 1.036 357 V CB -0.896 30.946 31.823 0.031 0.000 0.654 357 V HN 0.543 nan 8.190 nan 0.000 0.451 358 R N -0.236 120.274 120.500 0.018 0.000 2.189 358 R HA -0.152 4.077 4.340 -0.185 0.000 0.223 358 R C 2.024 178.329 176.300 0.007 0.000 1.092 358 R CA 1.794 57.900 56.100 0.009 0.000 0.989 358 R CB -0.859 29.445 30.300 0.008 0.000 0.876 358 R HN 0.708 nan 8.270 nan 0.000 0.457 359 E N -0.072 120.135 120.200 0.012 0.000 2.112 359 E HA 0.080 4.319 4.350 -0.185 0.000 0.190 359 E C 2.037 178.647 176.600 0.017 0.000 0.979 359 E CA 0.637 57.042 56.400 0.009 0.000 0.814 359 E CB -0.012 29.693 29.700 0.008 0.000 0.762 359 E HN 0.544 nan 8.360 nan 0.000 0.460 360 L N 0.073 121.313 121.223 0.028 0.000 2.056 360 L HA -0.220 4.009 4.340 -0.185 0.000 0.207 360 L C 2.508 179.387 176.870 0.015 0.000 1.078 360 L CA 0.667 55.528 54.840 0.034 0.000 0.749 360 L CB -0.328 41.749 42.059 0.030 0.000 0.901 360 L HN 0.360 nan 8.230 nan 0.000 0.433 361 C N -0.360 118.942 119.300 0.004 0.000 2.413 361 C HA -0.171 4.178 4.460 -0.185 0.000 0.277 361 C C 2.838 177.822 174.990 -0.011 0.000 1.265 361 C CA 0.664 59.677 59.018 -0.008 0.000 1.752 361 C CB -0.816 26.918 27.740 -0.011 0.000 1.998 361 C HN 0.542 nan 8.230 nan 0.000 0.489 362 Q N 0.211 120.008 119.800 -0.006 0.000 2.050 362 Q HA -0.112 4.117 4.340 -0.185 0.000 0.202 362 Q C 2.538 178.534 176.000 -0.007 0.000 0.980 362 Q CA 1.885 57.683 55.803 -0.008 0.000 0.840 362 Q CB -0.541 28.193 28.738 -0.008 0.000 0.898 362 Q HN 0.777 nan 8.270 nan 0.000 0.424 363 G N 0.946 109.746 108.800 0.001 0.000 2.408 363 G HA2 -0.206 3.644 3.960 -0.185 0.000 0.217 363 G HA3 -0.206 3.644 3.960 -0.185 0.000 0.217 363 G C 1.391 176.292 174.900 0.001 0.000 1.150 363 G CA 0.241 45.344 45.100 0.006 0.000 0.776 363 G HN 0.179 nan 8.290 nan 0.000 0.542 364 L N 0.632 121.853 121.223 -0.004 0.000 2.201 364 L HA 0.015 4.244 4.340 -0.185 0.000 0.212 364 L C 2.815 179.666 176.870 -0.031 0.000 1.105 364 L CA 1.074 55.904 54.840 -0.016 0.000 0.775 364 L CB -0.319 41.727 42.059 -0.022 0.000 0.913 364 L HN 0.370 nan 8.230 nan 0.000 0.440 365 G N -1.303 107.478 108.800 -0.031 0.000 2.813 365 G HA2 -0.068 3.782 3.960 -0.185 0.000 0.209 365 G HA3 -0.068 3.782 3.960 -0.185 0.000 0.209 365 G C 0.723 175.606 174.900 -0.028 0.000 1.150 365 G CA -0.315 44.760 45.100 -0.042 0.000 0.785 365 G HN 0.231 nan 8.290 nan 0.000 0.535 366 Q N 1.063 120.853 119.800 -0.016 0.000 2.386 366 Q HA 0.128 4.357 4.340 -0.185 0.000 0.282 366 Q C -2.217 173.782 176.000 -0.002 0.000 1.050 366 Q CA -1.306 54.492 55.803 -0.008 0.000 0.918 366 Q CB 0.674 29.409 28.738 -0.006 0.000 1.266 366 Q HN 0.189 nan 8.270 nan 0.000 0.423 367 P HA 0.084 nan 4.420 nan 0.000 0.276 367 P C 0.439 177.744 177.300 0.008 0.000 1.235 367 P CA 0.489 63.599 63.100 0.017 0.000 0.772 367 P CB 0.715 32.424 31.700 0.015 0.000 0.871 368 G N 2.165 110.974 108.800 0.015 0.000 2.194 368 G HA2 -0.246 3.603 3.960 -0.185 0.000 0.236 368 G HA3 -0.246 3.603 3.960 -0.185 0.000 0.236 368 G C 0.299 175.193 174.900 -0.011 0.000 0.987 368 G CA 0.195 45.293 45.100 -0.002 0.000 0.635 368 G HN 0.843 nan 8.290 nan 0.000 0.520 369 S N -0.115 115.582 115.700 -0.005 0.000 2.558 369 S HA 0.414 4.773 4.470 -0.185 0.000 0.288 369 S C 1.516 176.111 174.600 -0.009 0.000 1.318 369 S CA 0.488 58.682 58.200 -0.010 0.000 1.056 369 S CB 1.879 65.073 63.200 -0.009 0.000 0.853 369 S HN 1.731 nan 8.310 nan 0.000 0.505 370 V N 0.251 120.157 119.914 -0.014 0.000 3.645 370 V HA 0.388 4.397 4.120 -0.185 0.000 0.275 370 V C 0.538 176.631 176.094 -0.001 0.000 1.356 370 V CA -0.417 61.877 62.300 -0.010 0.000 1.051 370 V CB -0.725 31.083 31.823 -0.025 0.000 0.828 370 V HN 0.718 nan 8.190 nan 0.000 0.441 371 L N 1.815 123.037 121.223 -0.001 0.000 2.628 371 L HA 0.075 4.304 4.340 -0.185 0.000 0.292 371 L C 1.604 178.467 176.870 -0.012 0.000 1.250 371 L CA 1.269 56.107 54.840 -0.002 0.000 0.892 371 L CB 0.203 42.258 42.059 -0.008 0.000 1.138 371 L HN 0.284 nan 8.230 nan 0.000 0.502 372 R N 2.142 122.637 120.500 -0.009 0.000 2.225 372 R HA 0.309 4.538 4.340 -0.185 0.000 0.194 372 R C -0.792 175.473 176.300 -0.058 0.000 0.949 372 R CA 0.099 56.188 56.100 -0.018 0.000 1.088 372 R CB 0.703 31.009 30.300 0.010 0.000 1.106 372 R HN 0.456 nan 8.270 nan 0.000 0.566 373 V N 2.297 122.175 119.914 -0.059 0.000 2.531 373 V HA 0.378 4.387 4.120 -0.185 0.000 0.301 373 V C -1.219 174.754 176.094 -0.201 0.000 1.034 373 V CA -0.912 61.281 62.300 -0.178 0.000 0.865 373 V CB 1.901 33.666 31.823 -0.096 0.000 0.995 373 V HN 0.017 nan 8.190 nan 0.000 0.424 374 L N 5.226 126.245 121.223 -0.340 0.000 2.409 374 L HA 0.747 4.976 4.340 -0.185 0.000 0.272 374 L C -1.816 174.877 176.870 -0.294 0.000 0.980 374 L CA -0.355 54.364 54.840 -0.201 0.000 0.826 374 L CB 1.750 43.745 42.059 -0.107 0.000 1.268 374 L HN 0.655 nan 8.230 nan 0.000 0.407 375 W N 6.593 127.921 121.300 0.047 0.000 2.361 375 W HA 0.629 5.178 4.660 -0.186 0.000 0.314 375 W C -0.271 176.264 176.519 0.027 0.000 1.041 375 W CA -0.426 56.947 57.345 0.047 0.000 1.241 375 W CB 1.113 30.613 29.460 0.066 0.000 1.279 375 W HN 0.310 nan 8.180 nan 0.000 0.436 376 L N 3.866 125.205 121.223 0.193 0.000 3.186 376 L HA 0.453 4.682 4.340 -0.185 0.000 0.292 376 L C 0.765 177.712 176.870 0.128 0.000 1.303 376 L CA -0.509 54.408 54.840 0.128 0.000 0.940 376 L CB -0.318 41.784 42.059 0.072 0.000 1.358 376 L HN 0.531 nan 8.230 nan 0.000 0.581 377 A N -0.463 122.456 122.820 0.164 0.000 2.371 377 A HA 0.256 4.465 4.320 -0.185 0.000 0.257 377 A C 0.577 178.218 177.584 0.094 0.000 1.089 377 A CA 0.027 52.147 52.037 0.137 0.000 0.794 377 A CB 0.199 19.296 19.000 0.161 0.000 1.029 377 A HN 0.543 nan 8.150 nan 0.000 0.488 378 D N -0.048 120.399 120.400 0.079 0.000 2.740 378 D HA -0.169 4.361 4.640 -0.185 0.000 0.231 378 D C 0.184 176.518 176.300 0.057 0.000 1.194 378 D CA 1.181 55.215 54.000 0.057 0.000 0.673 378 D CB -1.336 39.487 40.800 0.039 0.000 0.995 378 D HN 0.448 nan 8.370 nan 0.000 0.411 379 C N 1.038 120.376 119.300 0.064 0.000 3.115 379 C HA 0.220 4.569 4.460 -0.185 0.000 0.277 379 C C 0.584 175.609 174.990 0.060 0.000 1.460 379 C CA -0.048 59.010 59.018 0.066 0.000 1.789 379 C CB -0.649 27.135 27.740 0.073 0.000 2.674 379 C HN 0.603 nan 8.230 nan 0.000 0.582 380 D N 0.367 120.799 120.400 0.053 0.000 2.835 380 D HA -0.114 4.415 4.640 -0.185 0.000 0.230 380 D C -0.177 176.152 176.300 0.048 0.000 1.130 380 D CA 0.648 54.677 54.000 0.048 0.000 0.738 380 D CB -1.179 39.648 40.800 0.045 0.000 1.090 380 D HN 0.301 nan 8.370 nan 0.000 0.433 381 V N -0.037 119.907 119.914 0.051 0.000 2.644 381 V HA 0.762 4.771 4.120 -0.185 0.000 0.295 381 V C 0.960 177.084 176.094 0.050 0.000 1.053 381 V CA 0.207 62.536 62.300 0.048 0.000 0.987 381 V CB 1.971 33.824 31.823 0.050 0.000 1.006 381 V HN 0.374 nan 8.190 nan 0.000 0.472 382 S N 0.995 116.722 115.700 0.045 0.000 2.851 382 S HA 0.534 4.894 4.470 -0.185 0.000 0.313 382 S C 0.954 175.581 174.600 0.044 0.000 1.163 382 S CA 0.148 58.376 58.200 0.048 0.000 0.850 382 S CB 1.032 64.257 63.200 0.043 0.000 1.245 382 S HN 0.764 nan 8.310 nan 0.000 0.558 383 D N 0.911 121.339 120.400 0.045 0.000 2.228 383 D HA -0.069 4.460 4.640 -0.185 0.000 0.203 383 D C 1.886 178.203 176.300 0.027 0.000 0.988 383 D CA 2.095 56.118 54.000 0.038 0.000 0.864 383 D CB -1.190 39.634 40.800 0.041 0.000 0.928 383 D HN 0.582 nan 8.370 nan 0.000 0.469 384 S N 0.347 116.062 115.700 0.026 0.000 2.370 384 S HA -0.130 4.230 4.470 -0.185 0.000 0.226 384 S C 2.293 176.903 174.600 0.016 0.000 1.033 384 S CA 1.451 59.663 58.200 0.020 0.000 1.011 384 S CB -0.107 63.105 63.200 0.021 0.000 0.852 384 S HN 0.531 nan 8.310 nan 0.000 0.457 385 S N 0.497 116.208 115.700 0.019 0.000 2.489 385 S HA 0.023 4.383 4.470 -0.185 0.000 0.228 385 S C 1.853 176.459 174.600 0.009 0.000 0.995 385 S CA 0.298 58.507 58.200 0.015 0.000 0.934 385 S CB -0.498 62.714 63.200 0.020 0.000 0.771 385 S HN 0.601 nan 8.310 nan 0.000 0.522 386 C N 2.376 121.683 119.300 0.011 0.000 2.410 386 C HA -0.068 4.281 4.460 -0.185 0.000 0.281 386 C C 3.011 177.997 174.990 -0.007 0.000 1.318 386 C CA 1.124 60.144 59.018 0.003 0.000 1.776 386 C CB -1.494 26.251 27.740 0.007 0.000 1.942 386 C HN 0.756 nan 8.230 nan 0.000 0.508 387 S N -0.543 115.154 115.700 -0.005 0.000 2.395 387 S HA -0.098 4.261 4.470 -0.185 0.000 0.225 387 S C 1.817 176.409 174.600 -0.013 0.000 1.027 387 S CA 1.348 59.542 58.200 -0.010 0.000 0.965 387 S CB -0.514 62.682 63.200 -0.006 0.000 0.812 387 S HN 0.525 nan 8.310 nan 0.000 0.482 388 S N 1.789 117.483 115.700 -0.010 0.000 2.348 388 S HA 0.109 4.468 4.470 -0.185 0.000 0.221 388 S C 1.795 176.384 174.600 -0.019 0.000 1.033 388 S CA 1.174 59.367 58.200 -0.012 0.000 1.010 388 S CB -0.613 62.584 63.200 -0.006 0.000 0.891 388 S HN 0.470 nan 8.310 nan 0.000 0.442 389 L N 0.948 122.161 121.223 -0.017 0.000 2.012 389 L HA -0.151 4.078 4.340 -0.185 0.000 0.210 389 L C 2.739 179.587 176.870 -0.036 0.000 1.073 389 L CA 1.356 56.181 54.840 -0.025 0.000 0.748 389 L CB -0.590 41.458 42.059 -0.018 0.000 0.891 389 L HN 0.345 nan 8.230 nan 0.000 0.431 390 A N -0.285 122.515 122.820 -0.033 0.000 1.940 390 A HA -0.205 4.004 4.320 -0.185 0.000 0.219 390 A C 2.474 180.031 177.584 -0.044 0.000 1.176 390 A CA 1.832 53.845 52.037 -0.040 0.000 0.631 390 A CB -0.731 18.248 19.000 -0.034 0.000 0.814 390 A HN 0.437 nan 8.150 nan 0.000 0.446 391 A N -1.270 121.526 122.820 -0.039 0.000 1.930 391 A HA -0.035 4.174 4.320 -0.185 0.000 0.217 391 A C 2.251 179.799 177.584 -0.059 0.000 1.175 391 A CA 2.101 54.112 52.037 -0.042 0.000 0.627 391 A CB -1.074 17.907 19.000 -0.032 0.000 0.815 391 A HN 0.414 nan 8.150 nan 0.000 0.443 392 T N 0.392 114.910 114.554 -0.059 0.000 2.951 392 T HA 0.018 4.257 4.350 -0.185 0.000 0.268 392 T C 1.622 176.259 174.700 -0.105 0.000 1.073 392 T CA 0.972 63.027 62.100 -0.076 0.000 1.134 392 T CB -0.292 68.542 68.868 -0.057 0.000 0.884 392 T HN 0.353 nan 8.240 nan 0.000 0.479 393 L N 0.193 121.362 121.223 -0.091 0.000 2.362 393 L HA 0.077 4.306 4.340 -0.185 0.000 0.219 393 L C 1.911 178.705 176.870 -0.128 0.000 1.134 393 L CA 0.887 55.668 54.840 -0.100 0.000 0.807 393 L CB -0.253 41.761 42.059 -0.075 0.000 0.927 393 L HN 0.297 nan 8.230 nan 0.000 0.447 394 L N -1.921 119.226 121.223 -0.128 0.000 2.537 394 L HA 0.165 4.394 4.340 -0.185 0.000 0.224 394 L C 2.554 179.283 176.870 -0.235 0.000 1.065 394 L CA 0.397 55.156 54.840 -0.135 0.000 0.860 394 L CB -0.245 41.775 42.059 -0.064 0.000 1.086 394 L HN 0.077 nan 8.230 nan 0.000 0.482 395 A N -0.083 122.612 122.820 -0.208 0.000 1.898 395 A HA -0.065 4.144 4.320 -0.185 0.000 0.214 395 A C 1.219 178.589 177.584 -0.357 0.000 1.183 395 A CA 0.657 52.572 52.037 -0.203 0.000 0.622 395 A CB -0.331 18.607 19.000 -0.104 0.000 0.824 395 A HN 0.396 nan 8.150 nan 0.000 0.444 396 N N -0.848 117.649 118.700 -0.338 0.000 2.524 396 N HA 0.202 4.831 4.740 -0.185 0.000 0.283 396 N C -0.397 174.827 175.510 -0.478 0.000 1.142 396 N CA -0.055 52.819 53.050 -0.293 0.000 0.984 396 N CB 0.658 39.061 38.487 -0.141 0.000 1.155 396 N HN 0.379 nan 8.380 nan 0.000 0.467 397 H N -0.316 118.740 119.070 -0.023 0.000 3.058 397 H HA 0.114 4.559 4.556 -0.185 0.000 0.266 397 H C 1.422 176.735 175.328 -0.024 0.000 1.135 397 H CA 0.133 56.167 56.048 -0.023 0.000 1.174 397 H CB 0.718 30.468 29.762 -0.021 0.000 1.581 397 H HN 0.660 nan 8.280 nan 0.000 0.553 398 S N 0.219 115.949 115.700 0.051 0.000 2.439 398 S HA 0.049 4.408 4.470 -0.185 0.000 0.224 398 S C 0.919 175.518 174.600 -0.002 0.000 1.029 398 S CA -0.222 57.993 58.200 0.026 0.000 0.946 398 S CB -0.007 63.201 63.200 0.012 0.000 0.797 398 S HN 0.198 nan 8.310 nan 0.000 0.504 399 L N 2.378 123.585 121.223 -0.027 0.000 2.578 399 L HA 0.123 4.352 4.340 -0.185 0.000 0.279 399 L C 1.381 178.223 176.870 -0.047 0.000 1.227 399 L CA 0.203 55.014 54.840 -0.049 0.000 0.900 399 L CB 0.435 42.452 42.059 -0.069 0.000 1.144 399 L HN 0.375 nan 8.230 nan 0.000 0.496 400 R N 1.974 122.439 120.500 -0.060 0.000 2.412 400 R HA 0.248 4.477 4.340 -0.185 0.000 0.212 400 R C -0.102 176.145 176.300 -0.089 0.000 0.878 400 R CA 0.153 56.220 56.100 -0.055 0.000 1.022 400 R CB 0.801 31.082 30.300 -0.032 0.000 1.265 400 R HN 0.604 nan 8.270 nan 0.000 0.620 401 E N 0.731 120.847 120.200 -0.140 0.000 2.290 401 E HA 0.384 4.623 4.350 -0.185 0.000 0.274 401 E C -1.778 174.648 176.600 -0.289 0.000 0.889 401 E CA -0.690 55.582 56.400 -0.212 0.000 0.760 401 E CB 1.711 31.253 29.700 -0.263 0.000 1.206 401 E HN -0.140 nan 8.360 nan 0.000 0.419 402 L N 3.691 124.761 121.223 -0.254 0.000 2.410 402 L HA 0.521 4.750 4.340 -0.185 0.000 0.270 402 L C -1.729 175.027 176.870 -0.190 0.000 0.983 402 L CA -0.408 54.297 54.840 -0.226 0.000 0.822 402 L CB 1.923 43.903 42.059 -0.132 0.000 1.285 402 L HN 0.467 nan 8.230 nan 0.000 0.409 403 D N 4.347 124.653 120.400 -0.157 0.000 2.425 403 D HA 0.408 4.938 4.640 -0.185 0.000 0.240 403 D C -0.431 175.913 176.300 0.073 0.000 1.080 403 D CA -0.024 53.981 54.000 0.008 0.000 0.836 403 D CB 1.209 42.121 40.800 0.186 0.000 1.125 403 D HN 0.628 nan 8.370 nan 0.000 0.525 404 L N 2.249 123.520 121.223 0.079 0.000 3.168 404 L HA 0.256 4.485 4.340 -0.185 0.000 0.277 404 L C 0.461 177.405 176.870 0.122 0.000 1.245 404 L CA -0.323 54.570 54.840 0.090 0.000 1.035 404 L CB 0.502 42.599 42.059 0.063 0.000 1.399 404 L HN 0.196 nan 8.230 nan 0.000 0.580 405 S N 0.322 116.116 115.700 0.156 0.000 2.559 405 S HA -0.015 4.344 4.470 -0.185 0.000 0.282 405 S C 0.705 175.387 174.600 0.137 0.000 1.336 405 S CA 0.065 58.374 58.200 0.181 0.000 1.037 405 S CB 0.097 63.453 63.200 0.260 0.000 0.853 405 S HN 0.605 nan 8.310 nan 0.000 0.523 406 N N 0.907 119.679 118.700 0.120 0.000 2.727 406 N HA -0.176 4.453 4.740 -0.185 0.000 0.249 406 N C -1.160 174.394 175.510 0.074 0.000 1.048 406 N CA 0.522 53.621 53.050 0.081 0.000 0.714 406 N CB -1.114 37.410 38.487 0.061 0.000 0.959 406 N HN 0.427 nan 8.380 nan 0.000 0.544 407 N N -0.491 118.261 118.700 0.085 0.000 2.269 407 N HA 0.336 4.966 4.740 -0.185 0.000 0.304 407 N C -0.668 174.892 175.510 0.083 0.000 1.072 407 N CA -0.492 52.605 53.050 0.078 0.000 0.802 407 N CB 1.465 40.002 38.487 0.082 0.000 1.348 407 N HN 0.072 nan 8.380 nan 0.000 0.484 408 C N 2.549 121.892 119.300 0.072 0.000 3.057 408 C HA 0.291 4.640 4.460 -0.185 0.000 0.563 408 C C 0.733 175.777 174.990 0.090 0.000 1.129 408 C CA -0.528 58.537 59.018 0.079 0.000 1.284 408 C CB -2.295 25.481 27.740 0.060 0.000 1.532 408 C HN 0.361 nan 8.230 nan 0.000 0.631 409 L N 1.916 123.205 121.223 0.109 0.000 2.361 409 L HA 0.379 4.609 4.340 -0.185 0.000 0.278 409 L C 1.151 178.109 176.870 0.148 0.000 1.113 409 L CA 0.219 55.128 54.840 0.115 0.000 0.849 409 L CB 0.302 42.434 42.059 0.121 0.000 1.155 409 L HN 0.564 nan 8.230 nan 0.000 0.452 410 G N 1.288 110.163 108.800 0.125 0.000 2.557 410 G HA2 0.143 3.993 3.960 -0.185 0.000 0.302 410 G HA3 0.143 3.993 3.960 -0.185 0.000 0.302 410 G C 0.232 175.217 174.900 0.142 0.000 1.311 410 G CA -0.353 44.839 45.100 0.152 0.000 1.030 410 G HN 0.614 nan 8.290 nan 0.000 0.509 411 D N -0.329 120.160 120.400 0.149 0.000 2.172 411 D HA -0.145 4.384 4.640 -0.185 0.000 0.196 411 D C 2.631 178.959 176.300 0.046 0.000 0.999 411 D CA 1.860 55.920 54.000 0.100 0.000 0.856 411 D CB -0.089 40.769 40.800 0.097 0.000 0.934 411 D HN 0.363 nan 8.370 nan 0.000 0.453 412 A N 0.005 122.857 122.820 0.052 0.000 1.898 412 A HA 0.039 4.248 4.320 -0.185 0.000 0.216 412 A C 2.342 179.937 177.584 0.019 0.000 1.181 412 A CA 1.957 54.011 52.037 0.030 0.000 0.620 412 A CB -0.991 18.030 19.000 0.035 0.000 0.819 412 A HN 0.318 nan 8.150 nan 0.000 0.442 413 G N -0.031 108.790 108.800 0.035 0.000 2.404 413 G HA2 -0.114 3.735 3.960 -0.185 0.000 0.215 413 G HA3 -0.114 3.735 3.960 -0.185 0.000 0.215 413 G C 1.482 176.383 174.900 0.002 0.000 1.174 413 G CA 1.068 46.184 45.100 0.026 0.000 0.780 413 G HN 0.418 nan 8.290 nan 0.000 0.537 414 I N 0.545 121.117 120.570 0.003 0.000 2.264 414 I HA -0.148 3.912 4.170 -0.185 0.000 0.248 414 I C 2.557 178.610 176.117 -0.107 0.000 1.111 414 I CA 0.740 61.998 61.300 -0.070 0.000 1.382 414 I CB -0.221 37.705 38.000 -0.123 0.000 1.060 414 I HN 0.223 nan 8.210 nan 0.000 0.418 415 L N 0.466 121.643 121.223 -0.078 0.000 1.989 415 L HA -0.294 3.935 4.340 -0.185 0.000 0.211 415 L C 2.519 179.350 176.870 -0.065 0.000 1.071 415 L CA 1.924 56.718 54.840 -0.078 0.000 0.749 415 L CB -0.699 41.332 42.059 -0.047 0.000 0.890 415 L HN 0.265 nan 8.230 nan 0.000 0.431 416 Q N -0.427 119.346 119.800 -0.044 0.000 2.096 416 Q HA -0.219 4.011 4.340 -0.185 0.000 0.204 416 Q C 2.317 178.288 176.000 -0.049 0.000 0.982 416 Q CA 2.071 57.851 55.803 -0.038 0.000 0.850 416 Q CB -0.397 28.327 28.738 -0.024 0.000 0.901 416 Q HN 0.597 nan 8.270 nan 0.000 0.422 417 L N -0.077 121.111 121.223 -0.058 0.000 2.093 417 L HA -0.143 4.087 4.340 -0.185 0.000 0.208 417 L C 2.365 179.185 176.870 -0.084 0.000 1.085 417 L CA 0.630 55.430 54.840 -0.067 0.000 0.755 417 L CB -0.473 41.544 42.059 -0.071 0.000 0.904 417 L HN 0.081 nan 8.230 nan 0.000 0.435 418 V N -0.094 119.757 119.914 -0.104 0.000 2.407 418 V HA -0.218 3.791 4.120 -0.185 0.000 0.248 418 V C 2.517 178.562 176.094 -0.082 0.000 1.055 418 V CA 1.524 63.757 62.300 -0.112 0.000 1.049 418 V CB -0.525 31.213 31.823 -0.142 0.000 0.662 418 V HN 0.464 nan 8.190 nan 0.000 0.455 419 E N 0.205 120.365 120.200 -0.068 0.000 2.058 419 E HA -0.190 4.049 4.350 -0.185 0.000 0.194 419 E C 2.430 179.001 176.600 -0.048 0.000 0.997 419 E CA 1.699 58.068 56.400 -0.052 0.000 0.801 419 E CB -0.403 29.272 29.700 -0.042 0.000 0.746 419 E HN 0.544 nan 8.360 nan 0.000 0.450 420 S N 0.813 116.483 115.700 -0.050 0.000 2.348 420 S HA -0.101 4.258 4.470 -0.185 0.000 0.221 420 S C 2.246 176.818 174.600 -0.048 0.000 1.033 420 S CA 0.870 59.042 58.200 -0.046 0.000 1.010 420 S CB -0.235 62.935 63.200 -0.050 0.000 0.891 420 S HN 0.042 nan 8.310 nan 0.000 0.442 421 V N 2.005 121.884 119.914 -0.058 0.000 2.688 421 V HA -0.209 3.800 4.120 -0.185 0.000 0.256 421 V C 2.882 178.945 176.094 -0.053 0.000 1.084 421 V CA 2.052 64.316 62.300 -0.059 0.000 1.103 421 V CB -1.050 30.729 31.823 -0.074 0.000 0.688 421 V HN 0.591 nan 8.190 nan 0.000 0.480 422 R N -0.413 120.055 120.500 -0.053 0.000 2.115 422 R HA -0.007 4.222 4.340 -0.185 0.000 0.226 422 R C 1.358 177.637 176.300 -0.034 0.000 1.100 422 R CA 0.716 56.788 56.100 -0.047 0.000 0.980 422 R CB -0.660 29.610 30.300 -0.049 0.000 0.875 422 R HN 0.616 nan 8.270 nan 0.000 0.445 423 Q N 0.748 120.531 119.800 -0.029 0.000 2.361 423 Q HA 0.060 4.289 4.340 -0.185 0.000 0.276 423 Q C -1.627 174.366 176.000 -0.013 0.000 1.022 423 Q CA -1.285 54.506 55.803 -0.019 0.000 0.898 423 Q CB 1.202 29.931 28.738 -0.014 0.000 1.246 423 Q HN 0.254 nan 8.270 nan 0.000 0.410 424 P HA -0.070 nan 4.420 nan 0.000 0.229 424 P C 0.906 178.211 177.300 0.008 0.000 1.160 424 P CA 0.955 64.053 63.100 -0.004 0.000 0.777 424 P CB 0.136 31.832 31.700 -0.006 0.000 0.814 425 G N -0.627 108.183 108.800 0.018 0.000 2.848 425 G HA2 -0.087 3.762 3.960 -0.185 0.000 0.208 425 G HA3 -0.087 3.762 3.960 -0.185 0.000 0.208 425 G C 0.206 175.148 174.900 0.070 0.000 1.152 425 G CA -0.020 45.110 45.100 0.050 0.000 0.789 425 G HN 0.400 nan 8.290 nan 0.000 0.531 426 C N 1.314 120.630 119.300 0.027 0.000 2.223 426 C HA 0.603 4.952 4.460 -0.185 0.000 0.324 426 C C 1.227 176.222 174.990 0.009 0.000 1.196 426 C CA -1.067 57.956 59.018 0.009 0.000 1.628 426 C CB -0.609 27.119 27.740 -0.021 0.000 2.229 426 C HN 0.264 nan 8.230 nan 0.000 0.486 427 L N 5.593 126.831 121.223 0.025 0.000 2.612 427 L HA 0.241 4.470 4.340 -0.185 0.000 0.230 427 L C 0.809 177.674 176.870 -0.008 0.000 1.140 427 L CA 0.122 54.971 54.840 0.015 0.000 0.896 427 L CB -0.935 41.146 42.059 0.037 0.000 1.065 427 L HN 0.601 nan 8.230 nan 0.000 0.447 428 L N 0.385 121.594 121.223 -0.025 0.000 2.525 428 L HA -0.051 4.178 4.340 -0.185 0.000 0.278 428 L C 1.200 178.046 176.870 -0.041 0.000 1.218 428 L CA 1.057 55.872 54.840 -0.043 0.000 0.878 428 L CB 0.394 42.419 42.059 -0.058 0.000 1.127 428 L HN 0.280 nan 8.230 nan 0.000 0.492 429 E N 1.967 122.140 120.200 -0.045 0.000 2.434 429 E HA 0.088 4.327 4.350 -0.185 0.000 0.207 429 E C -0.222 176.350 176.600 -0.047 0.000 0.929 429 E CA 0.027 56.404 56.400 -0.038 0.000 1.001 429 E CB 0.661 30.346 29.700 -0.026 0.000 1.016 429 E HN 0.643 nan 8.360 nan 0.000 0.502 430 Q N 1.216 120.976 119.800 -0.065 0.000 2.285 430 Q HA 0.456 4.685 4.340 -0.185 0.000 0.269 430 Q C -2.073 173.869 176.000 -0.097 0.000 1.030 430 Q CA -0.664 55.095 55.803 -0.074 0.000 0.788 430 Q CB 1.782 30.476 28.738 -0.073 0.000 1.266 430 Q HN 0.035 nan 8.270 nan 0.000 0.438 431 L N 4.807 125.977 121.223 -0.088 0.000 2.372 431 L HA 0.548 4.777 4.340 -0.185 0.000 0.273 431 L C -1.715 175.105 176.870 -0.082 0.000 0.989 431 L CA -0.563 54.224 54.840 -0.089 0.000 0.841 431 L CB 1.924 43.931 42.059 -0.086 0.000 1.225 431 L HN 0.514 nan 8.230 nan 0.000 0.414 432 V N 6.754 126.625 119.914 -0.070 0.000 2.364 432 V HA 0.343 4.352 4.120 -0.185 0.000 0.272 432 V C 0.320 176.408 176.094 -0.010 0.000 1.036 432 V CA -0.241 62.018 62.300 -0.068 0.000 0.880 432 V CB 1.123 32.956 31.823 0.018 0.000 0.991 432 V HN 0.622 nan 8.190 nan 0.000 0.460 433 L N 5.374 126.580 121.223 -0.027 0.000 2.960 433 L HA 0.411 4.640 4.340 -0.185 0.000 0.274 433 L C -0.552 176.398 176.870 0.134 0.000 1.327 433 L CA -0.384 54.536 54.840 0.135 0.000 0.860 433 L CB -0.009 42.232 42.059 0.303 0.000 1.239 433 L HN 0.478 nan 8.230 nan 0.000 0.551 434 Y N 0.947 121.313 120.300 0.110 0.000 2.480 434 Y HA -0.006 4.432 4.550 -0.186 0.000 0.338 434 Y C 1.246 177.149 175.900 0.006 0.000 1.220 434 Y CA -0.032 58.099 58.100 0.051 0.000 1.430 434 Y CB 0.383 38.872 38.460 0.048 0.000 1.311 434 Y HN 0.393 nan 8.280 nan 0.000 0.575 435 D N 1.281 121.786 120.400 0.175 0.000 2.737 435 D HA -0.248 4.281 4.640 -0.185 0.000 0.233 435 D C -0.692 175.601 176.300 -0.013 0.000 1.155 435 D CA 0.887 54.910 54.000 0.039 0.000 0.667 435 D CB -1.286 39.540 40.800 0.043 0.000 1.060 435 D HN 0.352 nan 8.370 nan 0.000 0.427 436 I N 0.328 120.833 120.570 -0.108 0.000 2.404 436 I HA 0.264 4.323 4.170 -0.185 0.000 0.293 436 I C 0.188 176.080 176.117 -0.375 0.000 0.992 436 I CA -1.177 60.059 61.300 -0.105 0.000 1.149 436 I CB 1.447 39.488 38.000 0.069 0.000 1.315 436 I HN -0.116 nan 8.210 nan 0.000 0.446 437 Y N 7.160 127.299 120.300 -0.268 0.000 2.308 437 Y HA 0.519 4.958 4.550 -0.185 0.000 0.329 437 Y C -1.075 174.738 175.900 -0.145 0.000 1.111 437 Y CA -0.477 57.420 58.100 -0.338 0.000 1.179 437 Y CB 0.922 39.285 38.460 -0.163 0.000 1.201 437 Y HN 0.561 nan 8.280 nan 0.000 0.483 438 W N 3.199 123.944 121.300 -0.925 0.000 3.118 438 W HA 0.698 5.247 4.660 -0.186 0.000 0.328 438 W C -1.254 174.715 176.519 -0.916 0.000 1.239 438 W CA -1.216 55.727 57.345 -0.671 0.000 1.176 438 W CB -0.249 29.046 29.460 -0.275 0.000 1.433 438 W HN 0.677 nan 8.180 nan 0.000 0.562 439 S N -0.464 115.144 115.700 -0.153 0.000 2.641 439 S HA 0.156 4.515 4.470 -0.185 0.000 0.261 439 S C 0.744 175.382 174.600 0.064 0.000 1.257 439 S CA 0.242 58.409 58.200 -0.055 0.000 0.983 439 S CB 1.258 64.497 63.200 0.065 0.000 0.990 439 S HN 0.739 nan 8.310 nan 0.000 0.572 440 E N 0.312 120.546 120.200 0.056 0.000 2.150 440 E HA -0.157 4.082 4.350 -0.185 0.000 0.193 440 E C 1.709 178.336 176.600 0.045 0.000 0.985 440 E CA 1.075 57.514 56.400 0.063 0.000 0.814 440 E CB -0.127 29.603 29.700 0.050 0.000 0.752 440 E HN 0.738 nan 8.360 nan 0.000 0.466 441 E N -0.133 120.087 120.200 0.033 0.000 2.085 441 E HA -0.184 4.055 4.350 -0.185 0.000 0.194 441 E C 1.856 178.440 176.600 -0.025 0.000 0.994 441 E CA 1.157 57.561 56.400 0.007 0.000 0.801 441 E CB 0.014 29.721 29.700 0.011 0.000 0.743 441 E HN 0.207 nan 8.360 nan 0.000 0.453 442 M N 0.073 119.654 119.600 -0.031 0.000 2.288 442 M HA -0.062 4.307 4.480 -0.185 0.000 0.266 442 M C 2.093 178.248 176.300 -0.242 0.000 1.072 442 M CA 1.083 56.292 55.300 -0.151 0.000 1.132 442 M CB -0.412 32.086 32.600 -0.171 0.000 1.386 442 M HN 0.028 nan 8.290 nan 0.000 0.432 443 E N 1.208 121.377 120.200 -0.052 0.000 2.058 443 E HA -0.199 4.040 4.350 -0.185 0.000 0.194 443 E C 1.340 177.914 176.600 -0.044 0.000 0.997 443 E CA 1.907 58.321 56.400 0.023 0.000 0.801 443 E CB -0.119 29.686 29.700 0.174 0.000 0.746 443 E HN 0.339 nan 8.360 nan 0.000 0.450 444 D N -0.440 119.941 120.400 -0.031 0.000 2.097 444 D HA -0.151 4.378 4.640 -0.185 0.000 0.195 444 D C 2.017 178.275 176.300 -0.069 0.000 0.989 444 D CA 1.349 55.328 54.000 -0.035 0.000 0.827 444 D CB -0.394 40.394 40.800 -0.020 0.000 0.966 444 D HN 0.077 nan 8.370 nan 0.000 0.456 445 R N 0.611 121.053 120.500 -0.096 0.000 2.096 445 R HA -0.092 4.137 4.340 -0.185 0.000 0.240 445 R C 2.277 178.489 176.300 -0.147 0.000 1.139 445 R CA 1.106 57.136 56.100 -0.117 0.000 0.952 445 R CB -0.707 29.509 30.300 -0.139 0.000 0.854 445 R HN 0.198 nan 8.270 nan 0.000 0.436 446 L N -0.047 121.051 121.223 -0.210 0.000 2.093 446 L HA -0.147 4.082 4.340 -0.185 0.000 0.208 446 L C 2.723 179.514 176.870 -0.131 0.000 1.085 446 L CA 1.194 55.900 54.840 -0.224 0.000 0.755 446 L CB -0.500 41.344 42.059 -0.357 0.000 0.904 446 L HN 0.360 nan 8.230 nan 0.000 0.435 447 Q N 0.043 119.789 119.800 -0.091 0.000 2.124 447 Q HA -0.186 4.044 4.340 -0.185 0.000 0.202 447 Q C 2.260 178.230 176.000 -0.050 0.000 0.977 447 Q CA 1.794 57.566 55.803 -0.051 0.000 0.850 447 Q CB -0.046 28.676 28.738 -0.026 0.000 0.901 447 Q HN 0.520 nan 8.270 nan 0.000 0.429 448 A N 0.826 123.612 122.820 -0.056 0.000 1.877 448 A HA -0.191 4.018 4.320 -0.185 0.000 0.216 448 A C 2.118 179.671 177.584 -0.052 0.000 1.186 448 A CA 1.492 53.500 52.037 -0.048 0.000 0.620 448 A CB -0.843 18.127 19.000 -0.049 0.000 0.822 448 A HN 0.413 nan 8.150 nan 0.000 0.443 449 L N -0.056 121.125 121.223 -0.070 0.000 2.079 449 L HA -0.184 4.046 4.340 -0.185 0.000 0.210 449 L C 2.116 178.950 176.870 -0.060 0.000 1.081 449 L CA 2.631 57.428 54.840 -0.070 0.000 0.752 449 L CB -0.603 41.399 42.059 -0.095 0.000 0.896 449 L HN 0.528 nan 8.230 nan 0.000 0.433 450 E N -0.232 119.931 120.200 -0.061 0.000 2.058 450 E HA -0.260 3.979 4.350 -0.185 0.000 0.194 450 E C 2.325 178.904 176.600 -0.034 0.000 0.997 450 E CA 2.163 58.535 56.400 -0.047 0.000 0.801 450 E CB -0.224 29.451 29.700 -0.042 0.000 0.746 450 E HN 0.615 nan 8.360 nan 0.000 0.450 451 K N 0.475 120.856 120.400 -0.031 0.000 2.148 451 K HA -0.116 4.093 4.320 -0.185 0.000 0.204 451 K C 1.747 178.333 176.600 -0.024 0.000 1.050 451 K CA 1.958 58.231 56.287 -0.023 0.000 0.942 451 K CB -1.586 30.902 32.500 -0.020 0.000 0.724 451 K HN 0.429 nan 8.250 nan 0.000 0.446 452 D N 0.434 120.816 120.400 -0.029 0.000 2.103 452 D HA -0.009 4.520 4.640 -0.185 0.000 0.199 452 D C 1.415 177.699 176.300 -0.026 0.000 0.978 452 D CA 1.257 55.241 54.000 -0.027 0.000 0.829 452 D CB 0.008 40.789 40.800 -0.031 0.000 0.981 452 D HN 0.450 nan 8.370 nan 0.000 0.464 453 K N 0.480 120.862 120.400 -0.031 0.000 2.499 453 K HA 0.292 4.501 4.320 -0.185 0.000 0.215 453 K C -2.183 174.400 176.600 -0.028 0.000 1.041 453 K CA -1.547 54.723 56.287 -0.029 0.000 1.031 453 K CB 1.894 34.374 32.500 -0.034 0.000 1.479 453 K HN -0.012 nan 8.250 nan 0.000 0.518 454 P HA -0.168 nan 4.420 nan 0.000 0.221 454 P C 1.069 178.358 177.300 -0.018 0.000 1.145 454 P CA 1.013 64.102 63.100 -0.019 0.000 0.795 454 P CB 0.253 31.945 31.700 -0.014 0.000 0.775 455 S N -0.991 114.698 115.700 -0.018 0.000 2.402 455 S HA -0.099 4.260 4.470 -0.185 0.000 0.229 455 S C 0.834 175.422 174.600 -0.021 0.000 1.021 455 S CA 0.240 58.430 58.200 -0.016 0.000 0.974 455 S CB -1.277 61.914 63.200 -0.015 0.000 0.800 455 S HN 0.103 nan 8.310 nan 0.000 0.484 456 L N 2.648 123.854 121.223 -0.029 0.000 2.276 456 L HA 0.506 4.736 4.340 -0.185 0.000 0.286 456 L C -0.641 176.205 176.870 -0.040 0.000 1.061 456 L CA -0.639 54.179 54.840 -0.037 0.000 0.807 456 L CB 0.898 42.930 42.059 -0.046 0.000 1.177 456 L HN 0.086 nan 8.230 nan 0.000 0.429 457 R N 4.407 124.883 120.500 -0.040 0.000 2.295 457 R HA 0.573 4.802 4.340 -0.185 0.000 0.324 457 R C -1.181 175.085 176.300 -0.056 0.000 0.968 457 R CA -0.714 55.362 56.100 -0.040 0.000 0.837 457 R CB 1.504 31.788 30.300 -0.027 0.000 1.133 457 R HN 0.419 nan 8.270 nan 0.000 0.450 458 V N 5.163 125.040 119.914 -0.061 0.000 2.333 458 V HA 0.236 4.245 4.120 -0.185 0.000 0.274 458 V C 0.013 176.059 176.094 -0.080 0.000 1.028 458 V CA -0.742 61.513 62.300 -0.076 0.000 0.851 458 V CB 0.856 32.627 31.823 -0.088 0.000 1.000 458 V HN 0.589 nan 8.190 nan 0.000 0.456 459 I N 5.207 125.702 120.570 -0.125 0.000 2.363 459 I HA 0.308 4.367 4.170 -0.185 0.000 0.292 459 I C 0.846 176.753 176.117 -0.350 0.000 1.075 459 I CA 1.301 62.468 61.300 -0.222 0.000 1.333 459 I CB 0.397 38.228 38.000 -0.282 0.000 1.415 459 I HN 0.942 nan 8.210 nan 0.000 0.502 460 S N 0.000 115.576 115.700 -0.207 0.000 2.498 460 S HA 0.000 4.359 4.470 -0.185 0.000 0.327 460 S CA 0.000 58.147 58.200 -0.089 0.000 1.107 460 S CB 0.000 63.120 63.200 -0.133 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517