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 2eiv_1_F DATA FIRST_RESID 2 DATA SEQUENCE ERVAVVGVPM DLXXXXXGVD MGPSALRYAR LLEQLEDLGY TVEDLGDVPV DATA SEQUENCE SXXXXXXXXX XXLAYLEEIR AAALVLKERL AALPEGVFPI VLGGDHSLSM DATA SEQUENCE GSVAGAARGR RVGVVWVDAH ADFNTPETSX SGNVHGMPLA VLSGLGHPRL DATA SEQUENCE TEVFRAVDPK DVVLVGVRSL DPGEKRLLKE AGVRVYTMHE VDRLGVARIA DATA SEQUENCE EEVLKHLQGL PLHVSLDADV LDPTLAPGVG TPVPGGLTYR EAHLLMEILA DATA SEQUENCE ESGRVQSLDL VEVNPILDER NRTAEMLVGL ALSLLGKRIF 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.723 176.600 0.205 0.000 1.382 2 E CA 0.000 56.455 56.400 0.092 0.000 0.976 2 E CB 0.000 29.722 29.700 0.037 0.000 0.812 3 R N 1.249 121.866 120.500 0.195 0.000 2.532 3 R HA 0.745 5.086 4.340 0.003 0.000 0.295 3 R C -1.210 175.196 176.300 0.177 0.000 0.968 3 R CA -0.718 55.483 56.100 0.168 0.000 0.916 3 R CB 2.691 33.057 30.300 0.109 0.000 1.124 3 R HN -0.059 nan 8.270 nan 0.000 0.463 4 V N 1.597 121.586 119.914 0.125 0.000 2.638 4 V HA 0.615 4.737 4.120 0.003 0.000 0.306 4 V C -0.789 175.345 176.094 0.067 0.000 1.052 4 V CA -0.815 61.536 62.300 0.085 0.000 0.885 4 V CB 1.945 33.734 31.823 -0.056 0.000 0.999 4 V HN 0.923 nan 8.190 nan 0.000 0.424 5 A N 4.515 127.380 122.820 0.076 0.000 2.318 5 A HA 0.874 5.196 4.320 0.003 0.000 0.317 5 A C -0.890 176.716 177.584 0.037 0.000 1.159 5 A CA -0.523 51.541 52.037 0.046 0.000 0.799 5 A CB 1.528 20.552 19.000 0.041 0.000 1.194 5 A HN 0.652 nan 8.150 nan 0.000 0.479 6 V N 2.517 122.441 119.914 0.017 0.000 2.483 6 V HA 0.665 4.787 4.120 0.003 0.000 0.295 6 V C -0.410 175.685 176.094 0.001 0.000 1.035 6 V CA -0.444 61.860 62.300 0.006 0.000 0.896 6 V CB 1.539 33.356 31.823 -0.010 0.000 0.986 6 V HN 0.818 nan 8.190 nan 0.000 0.447 7 V N 3.736 123.650 119.914 -0.001 0.000 2.808 7 V HA 0.887 5.009 4.120 0.003 0.000 0.308 7 V C 0.127 176.215 176.094 -0.009 0.000 1.099 7 V CA 0.080 62.378 62.300 -0.003 0.000 0.920 7 V CB 2.163 33.987 31.823 0.002 0.000 1.014 7 V HN 0.973 nan 8.190 nan 0.000 0.425 8 G N 3.699 112.492 108.800 -0.011 0.000 2.410 8 G HA2 0.600 4.562 3.960 0.003 0.000 0.330 8 G HA3 0.600 4.562 3.960 0.003 0.000 0.330 8 G C -1.131 173.761 174.900 -0.012 0.000 1.142 8 G CA -0.499 44.592 45.100 -0.015 0.000 0.902 8 G HN 0.926 nan 8.290 nan 0.000 0.491 9 V N 2.918 122.822 119.914 -0.017 0.000 2.383 9 V HA 0.254 4.376 4.120 0.003 0.000 0.264 9 V C -2.065 174.016 176.094 -0.022 0.000 1.001 9 V CA -1.263 61.027 62.300 -0.017 0.000 0.828 9 V CB 1.593 33.405 31.823 -0.018 0.000 1.069 9 V HN 0.697 nan 8.190 nan 0.000 0.451 10 P HA 0.094 nan 4.420 nan 0.000 0.252 10 P C -0.403 176.877 177.300 -0.034 0.000 1.694 10 P CA 0.197 63.283 63.100 -0.023 0.000 1.163 10 P CB 0.239 31.930 31.700 -0.015 0.000 1.934 11 M N 2.711 122.288 119.600 -0.038 0.000 2.125 11 M HA 0.396 4.878 4.480 0.003 0.000 0.321 11 M C -1.195 175.073 176.300 -0.054 0.000 0.983 11 M CA -0.330 54.941 55.300 -0.049 0.000 0.934 11 M CB 1.430 34.007 32.600 -0.037 0.000 1.542 11 M HN -0.191 nan 8.290 nan 0.000 0.424 12 D N 6.325 126.678 120.400 -0.078 0.000 2.375 12 D HA 0.512 5.153 4.640 0.003 0.000 0.259 12 D C -1.695 174.530 176.300 -0.124 0.000 1.235 12 D CA 0.024 53.981 54.000 -0.072 0.000 0.924 12 D CB 0.770 41.533 40.800 -0.062 0.000 1.143 12 D HN 0.698 nan 8.370 nan 0.000 0.529 20 V N -1.153 118.736 119.914 -0.041 0.000 3.141 20 V HA -0.008 4.113 4.120 0.003 0.000 0.265 20 V C 2.271 178.340 176.094 -0.041 0.000 1.126 20 V CA 1.584 63.855 62.300 -0.048 0.000 1.141 20 V CB -0.258 31.523 31.823 -0.070 0.000 0.743 20 V HN 0.484 nan 8.190 nan 0.000 0.492 21 D N 0.737 121.115 120.400 -0.037 0.000 2.309 21 D HA -0.214 4.428 4.640 0.003 0.000 0.212 21 D C 1.828 178.118 176.300 -0.018 0.000 0.968 21 D CA 1.245 55.226 54.000 -0.031 0.000 0.882 21 D CB -0.281 40.498 40.800 -0.034 0.000 0.918 21 D HN 0.478 nan 8.370 nan 0.000 0.503 22 M N 0.385 119.977 119.600 -0.015 0.000 2.506 22 M HA 0.135 4.617 4.480 0.003 0.000 0.260 22 M C 2.269 178.572 176.300 0.006 0.000 1.104 22 M CA 0.696 55.995 55.300 -0.000 0.000 1.112 22 M CB -0.081 32.516 32.600 -0.004 0.000 1.401 22 M HN 0.082 nan 8.290 nan 0.000 0.473 23 G N 2.462 111.255 108.800 -0.011 0.000 2.719 23 G HA2 -0.246 3.716 3.960 0.003 0.000 0.219 23 G HA3 -0.246 3.716 3.960 0.003 0.000 0.219 23 G C -1.003 173.896 174.900 -0.001 0.000 1.234 23 G CA 1.035 46.126 45.100 -0.015 0.000 0.788 23 G HN 0.291 nan 8.290 nan 0.000 0.619 24 P HA -0.142 nan 4.420 nan 0.000 0.217 24 P C 2.362 179.673 177.300 0.018 0.000 1.158 24 P CA 2.212 65.309 63.100 -0.005 0.000 0.887 24 P CB -0.216 31.478 31.700 -0.011 0.000 0.792 25 S N -0.868 114.864 115.700 0.052 0.000 2.359 25 S HA -0.196 4.275 4.470 0.003 0.000 0.224 25 S C 2.012 176.748 174.600 0.226 0.000 1.035 25 S CA 1.489 59.769 58.200 0.134 0.000 1.018 25 S CB -1.158 62.150 63.200 0.179 0.000 0.876 25 S HN 0.174 nan 8.310 nan 0.000 0.448 26 A N 1.691 124.601 122.820 0.149 0.000 1.851 26 A HA -0.057 4.264 4.320 0.003 0.000 0.216 26 A C 2.116 179.766 177.584 0.110 0.000 1.195 26 A CA 1.426 53.547 52.037 0.140 0.000 0.622 26 A CB -1.034 18.001 19.000 0.058 0.000 0.831 26 A HN 0.441 nan 8.150 nan 0.000 0.444 27 L N -0.955 120.296 121.223 0.046 0.000 2.137 27 L HA -0.276 4.065 4.340 0.003 0.000 0.213 27 L C 2.895 179.765 176.870 -0.001 0.000 1.085 27 L CA 1.592 56.439 54.840 0.013 0.000 0.760 27 L CB -0.438 41.613 42.059 -0.014 0.000 0.893 27 L HN 0.397 nan 8.230 nan 0.000 0.434 28 R N -1.453 119.037 120.500 -0.016 0.000 2.075 28 R HA -0.100 4.242 4.340 0.003 0.000 0.226 28 R C 2.160 178.368 176.300 -0.153 0.000 1.114 28 R CA 1.105 57.138 56.100 -0.110 0.000 0.972 28 R CB -0.348 29.837 30.300 -0.192 0.000 0.869 28 R HN 0.269 nan 8.270 nan 0.000 0.437 29 Y N 0.604 120.898 120.300 -0.009 0.000 2.574 29 Y HA -0.046 4.506 4.550 0.003 0.000 0.294 29 Y C 1.883 177.780 175.900 -0.005 0.000 1.142 29 Y CA 0.731 58.827 58.100 -0.006 0.000 1.314 29 Y CB -0.052 38.404 38.460 -0.007 0.000 0.991 29 Y HN 0.095 nan 8.280 nan 0.000 0.555 30 A N 0.122 123.002 122.820 0.100 0.000 2.310 30 A HA 0.136 4.458 4.320 0.003 0.000 0.230 30 A C 0.899 178.501 177.584 0.029 0.000 1.294 30 A CA -0.217 51.858 52.037 0.062 0.000 0.898 30 A CB -0.757 18.270 19.000 0.045 0.000 0.917 30 A HN 0.437 nan 8.150 nan 0.000 0.491 31 R N -1.989 118.517 120.500 0.010 0.000 3.322 31 R HA -0.223 4.119 4.340 0.003 0.000 0.253 31 R C 0.886 177.178 176.300 -0.014 0.000 0.987 31 R CA 0.598 56.692 56.100 -0.010 0.000 0.666 31 R CB -2.066 28.239 30.300 0.008 0.000 1.072 31 R HN 0.578 nan 8.270 nan 0.000 0.447 32 L N 0.047 121.255 121.223 -0.025 0.000 2.017 32 L HA -0.124 4.218 4.340 0.003 0.000 0.208 32 L C 1.880 178.731 176.870 -0.032 0.000 1.073 32 L CA 1.838 56.661 54.840 -0.028 0.000 0.745 32 L CB -0.199 41.838 42.059 -0.037 0.000 0.894 32 L HN 0.383 nan 8.230 nan 0.000 0.432 33 L N -0.188 121.013 121.223 -0.037 0.000 1.955 33 L HA -0.248 4.093 4.340 0.003 0.000 0.213 33 L C 2.538 179.401 176.870 -0.012 0.000 1.072 33 L CA 1.932 56.755 54.840 -0.028 0.000 0.755 33 L CB -0.797 41.242 42.059 -0.034 0.000 0.888 33 L HN 0.242 nan 8.230 nan 0.000 0.432 34 E N -0.331 119.861 120.200 -0.013 0.000 2.086 34 E HA -0.326 4.026 4.350 0.003 0.000 0.205 34 E C 2.192 178.798 176.600 0.010 0.000 1.027 34 E CA 1.858 58.258 56.400 -0.001 0.000 0.830 34 E CB -0.367 29.330 29.700 -0.004 0.000 0.751 34 E HN 0.507 nan 8.360 nan 0.000 0.456 35 Q N -0.267 119.538 119.800 0.008 0.000 2.170 35 Q HA -0.107 4.235 4.340 0.003 0.000 0.203 35 Q C 2.267 178.286 176.000 0.032 0.000 0.976 35 Q CA 0.883 56.697 55.803 0.017 0.000 0.858 35 Q CB -0.115 28.631 28.738 0.014 0.000 0.907 35 Q HN 0.310 nan 8.270 nan 0.000 0.433 36 L N 0.499 121.737 121.223 0.024 0.000 1.988 36 L HA -0.185 4.157 4.340 0.003 0.000 0.207 36 L C 2.263 179.211 176.870 0.130 0.000 1.071 36 L CA 1.231 56.108 54.840 0.060 0.000 0.744 36 L CB -0.450 41.597 42.059 -0.020 0.000 0.893 36 L HN 0.204 nan 8.230 nan 0.000 0.433 37 E N 0.240 120.489 120.200 0.080 0.000 2.065 37 E HA -0.292 4.059 4.350 0.003 0.000 0.201 37 E C 1.781 178.411 176.600 0.051 0.000 1.016 37 E CA 1.737 58.178 56.400 0.069 0.000 0.818 37 E CB -0.373 29.349 29.700 0.037 0.000 0.749 37 E HN 0.463 nan 8.360 nan 0.000 0.453 38 D N 0.655 121.078 120.400 0.038 0.000 2.191 38 D HA -0.181 4.461 4.640 0.003 0.000 0.195 38 D C 1.774 178.090 176.300 0.026 0.000 1.003 38 D CA 0.840 54.855 54.000 0.025 0.000 0.867 38 D CB -0.241 40.572 40.800 0.022 0.000 0.926 38 D HN 0.055 nan 8.370 nan 0.000 0.450 39 L N -0.780 120.476 121.223 0.056 0.000 2.551 39 L HA 0.142 4.484 4.340 0.003 0.000 0.228 39 L C 1.555 178.408 176.870 -0.028 0.000 1.153 39 L CA 1.229 56.102 54.840 0.053 0.000 0.851 39 L CB -0.092 42.060 42.059 0.155 0.000 0.959 39 L HN 0.256 nan 8.230 nan 0.000 0.451 40 G N -2.777 106.009 108.800 -0.024 0.000 2.159 40 G HA2 -0.307 3.655 3.960 0.003 0.000 0.227 40 G HA3 -0.307 3.655 3.960 0.003 0.000 0.227 40 G C 0.003 174.812 174.900 -0.152 0.000 0.986 40 G CA -0.118 44.918 45.100 -0.106 0.000 0.651 40 G HN 0.236 nan 8.290 nan 0.000 0.523 41 Y N 1.803 122.086 120.300 -0.028 0.000 2.308 41 Y HA 0.534 5.086 4.550 0.002 0.000 0.329 41 Y C 1.294 177.184 175.900 -0.016 0.000 1.111 41 Y CA 0.260 58.343 58.100 -0.028 0.000 1.179 41 Y CB 1.420 39.852 38.460 -0.048 0.000 1.201 41 Y HN 0.244 nan 8.280 nan 0.000 0.483 42 T N 0.846 115.488 114.554 0.147 0.000 2.869 42 T HA 0.622 4.974 4.350 0.003 0.000 0.295 42 T C -0.654 174.104 174.700 0.097 0.000 0.987 42 T CA -0.617 61.536 62.100 0.088 0.000 1.109 42 T CB 0.465 69.368 68.868 0.058 0.000 0.932 42 T HN 0.344 nan 8.240 nan 0.000 0.518 43 V N 3.758 123.710 119.914 0.063 0.000 2.588 43 V HA 0.529 4.651 4.120 0.003 0.000 0.304 43 V C -0.066 176.044 176.094 0.026 0.000 1.042 43 V CA -0.913 61.414 62.300 0.044 0.000 0.877 43 V CB 1.617 33.456 31.823 0.027 0.000 0.996 43 V HN 1.052 nan 8.190 nan 0.000 0.425 44 E N 2.933 123.148 120.200 0.025 0.000 2.183 44 E HA 0.359 4.710 4.350 0.003 0.000 0.271 44 E C -1.519 175.086 176.600 0.008 0.000 0.919 44 E CA -0.628 55.782 56.400 0.017 0.000 0.781 44 E CB 1.722 31.435 29.700 0.022 0.000 1.140 44 E HN 0.704 nan 8.360 nan 0.000 0.402 45 D N 4.871 125.271 120.400 -0.001 0.000 2.349 45 D HA 0.173 4.814 4.640 0.003 0.000 0.232 45 D C 0.556 176.853 176.300 -0.005 0.000 1.071 45 D CA -0.377 53.618 54.000 -0.009 0.000 0.832 45 D CB 1.197 41.984 40.800 -0.022 0.000 1.086 45 D HN 0.531 nan 8.370 nan 0.000 0.504 46 L N 3.064 124.286 121.223 -0.002 0.000 2.591 46 L HA 0.283 4.625 4.340 0.003 0.000 0.228 46 L C 1.572 178.441 176.870 -0.002 0.000 1.133 46 L CA 0.091 54.931 54.840 0.001 0.000 0.880 46 L CB -0.735 41.327 42.059 0.006 0.000 1.033 46 L HN 0.647 nan 8.230 nan 0.000 0.450 47 G N 0.740 109.535 108.800 -0.008 0.000 2.553 47 G HA2 -0.230 3.732 3.960 0.003 0.000 0.242 47 G HA3 -0.230 3.732 3.960 0.003 0.000 0.242 47 G C -0.928 173.968 174.900 -0.008 0.000 1.277 47 G CA -0.338 44.756 45.100 -0.010 0.000 0.910 47 G HN 0.251 nan 8.290 nan 0.000 0.576 48 D N -0.712 119.685 120.400 -0.005 0.000 2.340 48 D HA 0.592 5.233 4.640 0.003 0.000 0.240 48 D C 0.206 176.506 176.300 -0.000 0.000 1.001 48 D CA -0.389 53.608 54.000 -0.004 0.000 0.888 48 D CB 1.881 42.678 40.800 -0.005 0.000 1.310 48 D HN 0.428 nan 8.370 nan 0.000 0.474 49 V N 2.690 122.604 119.914 0.000 0.000 2.583 49 V HA 0.277 4.399 4.120 0.003 0.000 0.287 49 V C -1.937 174.158 176.094 0.003 0.000 1.051 49 V CA -1.197 61.106 62.300 0.005 0.000 1.010 49 V CB 1.118 32.945 31.823 0.007 0.000 0.988 49 V HN 0.449 nan 8.190 nan 0.000 0.478 50 P HA 0.412 nan 4.420 nan 0.000 0.274 50 P C -1.221 176.080 177.300 0.001 0.000 1.237 50 P CA -0.133 62.969 63.100 0.003 0.000 0.793 50 P CB 0.758 32.462 31.700 0.006 0.000 0.977 51 V N -0.376 119.535 119.914 -0.006 0.000 3.012 51 V HA 0.818 4.940 4.120 0.003 0.000 0.307 51 V C 0.118 176.200 176.094 -0.020 0.000 1.166 51 V CA -0.376 61.915 62.300 -0.015 0.000 0.974 51 V CB 1.258 33.062 31.823 -0.030 0.000 1.040 51 V HN 0.790 nan 8.190 nan 0.000 0.428 65 A N 0.286 123.044 122.820 -0.103 0.000 2.561 65 A HA 0.213 4.535 4.320 0.003 0.000 0.251 65 A C -0.114 177.399 177.584 -0.118 0.000 1.062 65 A CA 0.735 52.628 52.037 -0.241 0.000 0.761 65 A CB -1.004 17.909 19.000 -0.145 0.000 0.986 65 A HN 0.532 nan 8.150 nan 0.000 0.510 66 Y N -0.294 120.002 120.300 -0.007 0.000 4.469 66 Y HA -0.286 4.265 4.550 0.002 0.000 0.220 66 Y C 1.243 177.134 175.900 -0.015 0.000 1.078 66 Y CA 0.750 58.847 58.100 -0.005 0.000 1.881 66 Y CB -2.378 36.086 38.460 0.006 0.000 1.608 66 Y HN 0.644 nan 8.280 nan 0.000 0.634 67 L N 0.396 121.646 121.223 0.045 0.000 2.034 67 L HA -0.297 4.044 4.340 0.003 0.000 0.217 67 L C 2.322 179.202 176.870 0.017 0.000 1.077 67 L CA 2.376 57.212 54.840 -0.007 0.000 0.769 67 L CB -0.162 41.825 42.059 -0.121 0.000 0.890 67 L HN 0.231 nan 8.230 nan 0.000 0.435 68 E N -0.249 119.961 120.200 0.017 0.000 2.047 68 E HA -0.217 4.135 4.350 0.003 0.000 0.191 68 E C 2.146 178.789 176.600 0.073 0.000 0.987 68 E CA 1.457 57.876 56.400 0.031 0.000 0.799 68 E CB -0.245 29.466 29.700 0.019 0.000 0.752 68 E HN 0.592 nan 8.360 nan 0.000 0.449 69 E N 0.734 121.003 120.200 0.115 0.000 2.077 69 E HA -0.117 4.234 4.350 0.003 0.000 0.193 69 E C 2.127 178.778 176.600 0.084 0.000 0.989 69 E CA 0.619 57.088 56.400 0.115 0.000 0.800 69 E CB -0.152 29.657 29.700 0.181 0.000 0.746 69 E HN 0.172 nan 8.360 nan 0.000 0.452 70 I N 0.656 121.284 120.570 0.097 0.000 2.179 70 I HA -0.228 3.944 4.170 0.003 0.000 0.242 70 I C 2.441 178.597 176.117 0.066 0.000 1.088 70 I CA 1.269 62.604 61.300 0.058 0.000 1.357 70 I CB -0.833 37.202 38.000 0.059 0.000 1.051 70 I HN 0.155 nan 8.210 nan 0.000 0.409 71 R N 1.059 121.630 120.500 0.118 0.000 2.082 71 R HA -0.200 4.141 4.340 0.003 0.000 0.234 71 R C 2.355 178.802 176.300 0.244 0.000 1.136 71 R CA 2.051 58.300 56.100 0.247 0.000 0.935 71 R CB -0.303 30.106 30.300 0.181 0.000 0.842 71 R HN 0.333 nan 8.270 nan 0.000 0.430 72 A N 0.678 123.579 122.820 0.134 0.000 1.892 72 A HA -0.195 4.127 4.320 0.003 0.000 0.218 72 A C 2.372 180.018 177.584 0.103 0.000 1.188 72 A CA 2.230 54.328 52.037 0.103 0.000 0.631 72 A CB -0.863 18.175 19.000 0.064 0.000 0.822 72 A HN 0.571 nan 8.150 nan 0.000 0.447 73 A N -0.528 122.338 122.820 0.076 0.000 1.930 73 A HA 0.212 4.534 4.320 0.003 0.000 0.217 73 A C 2.486 180.101 177.584 0.052 0.000 1.175 73 A CA 1.995 54.061 52.037 0.049 0.000 0.627 73 A CB -0.936 18.076 19.000 0.019 0.000 0.815 73 A HN 1.094 nan 8.150 nan 0.000 0.443 74 A N -0.600 122.250 122.820 0.050 0.000 1.930 74 A HA -0.009 4.313 4.320 0.003 0.000 0.217 74 A C 2.096 179.778 177.584 0.164 0.000 1.175 74 A CA 1.639 53.651 52.037 -0.043 0.000 0.627 74 A CB -0.531 18.223 19.000 -0.409 0.000 0.815 74 A HN 0.624 nan 8.150 nan 0.000 0.443 75 L N -0.407 121.044 121.223 0.380 0.000 2.156 75 L HA -0.041 4.301 4.340 0.003 0.000 0.208 75 L C 2.300 179.267 176.870 0.161 0.000 1.095 75 L CA 1.353 56.403 54.840 0.350 0.000 0.770 75 L CB -0.248 41.942 42.059 0.218 0.000 0.914 75 L HN 0.138 nan 8.230 nan 0.000 0.439 76 V N -0.647 119.334 119.914 0.111 0.000 2.307 76 V HA -0.258 3.863 4.120 0.003 0.000 0.245 76 V C 2.435 178.566 176.094 0.062 0.000 1.045 76 V CA 1.667 64.007 62.300 0.066 0.000 1.024 76 V CB -0.517 31.334 31.823 0.047 0.000 0.651 76 V HN 0.493 nan 8.190 nan 0.000 0.449 77 L N 0.599 121.859 121.223 0.062 0.000 2.012 77 L HA -0.216 4.125 4.340 0.003 0.000 0.210 77 L C 2.456 179.362 176.870 0.060 0.000 1.073 77 L CA 2.377 57.243 54.840 0.044 0.000 0.748 77 L CB -0.824 41.247 42.059 0.019 0.000 0.891 77 L HN 0.303 nan 8.230 nan 0.000 0.431 78 K N -0.260 120.206 120.400 0.111 0.000 1.987 78 K HA -0.274 4.047 4.320 0.003 0.000 0.216 78 K C 1.968 178.611 176.600 0.072 0.000 1.051 78 K CA 2.335 58.695 56.287 0.121 0.000 0.942 78 K CB -0.364 32.268 32.500 0.219 0.000 0.722 78 K HN 0.515 nan 8.250 nan 0.000 0.444 79 E N -0.058 120.181 120.200 0.065 0.000 2.070 79 E HA -0.263 4.089 4.350 0.003 0.000 0.197 79 E C 2.203 178.821 176.600 0.030 0.000 1.004 79 E CA 1.414 57.836 56.400 0.038 0.000 0.805 79 E CB -0.149 29.570 29.700 0.031 0.000 0.744 79 E HN 0.172 nan 8.360 nan 0.000 0.451 80 R N 1.128 121.648 120.500 0.032 0.000 2.094 80 R HA -0.151 4.191 4.340 0.003 0.000 0.239 80 R C 2.147 178.459 176.300 0.020 0.000 1.137 80 R CA 1.537 57.651 56.100 0.024 0.000 0.943 80 R CB -0.734 29.580 30.300 0.023 0.000 0.850 80 R HN 0.199 nan 8.270 nan 0.000 0.433 81 L N -0.582 120.653 121.223 0.020 0.000 2.056 81 L HA -0.053 4.288 4.340 0.003 0.000 0.207 81 L C 2.443 179.319 176.870 0.010 0.000 1.078 81 L CA 1.344 56.191 54.840 0.011 0.000 0.749 81 L CB -0.739 41.324 42.059 0.007 0.000 0.901 81 L HN 0.325 nan 8.230 nan 0.000 0.433 82 A N 0.121 122.950 122.820 0.015 0.000 2.019 82 A HA -0.119 4.203 4.320 0.003 0.000 0.219 82 A C 2.469 180.061 177.584 0.012 0.000 1.164 82 A CA 1.580 53.624 52.037 0.013 0.000 0.644 82 A CB -0.483 18.527 19.000 0.017 0.000 0.805 82 A HN 0.414 nan 8.150 nan 0.000 0.449 83 A N -0.428 122.400 122.820 0.014 0.000 2.014 83 A HA 0.251 4.572 4.320 0.003 0.000 0.218 83 A C 1.032 178.624 177.584 0.014 0.000 1.163 83 A CA 0.045 52.090 52.037 0.013 0.000 0.652 83 A CB -0.525 18.483 19.000 0.014 0.000 0.808 83 A HN 0.453 nan 8.150 nan 0.000 0.449 84 L N 2.157 123.388 121.223 0.014 0.000 2.615 84 L HA 0.049 4.391 4.340 0.003 0.000 0.284 84 L C -1.701 175.180 176.870 0.018 0.000 1.237 84 L CA -1.128 53.721 54.840 0.016 0.000 0.905 84 L CB -0.078 41.989 42.059 0.014 0.000 1.149 84 L HN 0.255 nan 8.230 nan 0.000 0.499 85 P HA -0.019 nan 4.420 nan 0.000 0.267 85 P C -0.652 176.665 177.300 0.027 0.000 1.200 85 P CA -0.109 63.005 63.100 0.023 0.000 0.772 85 P CB 0.485 32.201 31.700 0.026 0.000 0.855 86 E N 0.702 120.918 120.200 0.027 0.000 2.360 86 E HA 0.284 4.636 4.350 0.003 0.000 0.269 86 E C 1.097 177.723 176.600 0.043 0.000 1.022 86 E CA 0.487 56.906 56.400 0.030 0.000 0.887 86 E CB 0.109 29.825 29.700 0.026 0.000 0.990 86 E HN 0.838 nan 8.360 nan 0.000 0.426 87 G N 1.746 110.579 108.800 0.055 0.000 2.168 87 G HA2 -0.218 3.743 3.960 0.003 0.000 0.197 87 G HA3 -0.218 3.743 3.960 0.003 0.000 0.197 87 G C -0.105 174.858 174.900 0.105 0.000 0.997 87 G CA -0.258 44.889 45.100 0.078 0.000 0.658 87 G HN 0.400 nan 8.290 nan 0.000 0.513 88 V N 1.111 121.081 119.914 0.092 0.000 2.417 88 V HA 0.642 4.763 4.120 0.003 0.000 0.291 88 V C -0.168 176.001 176.094 0.126 0.000 1.024 88 V CA -0.841 61.527 62.300 0.114 0.000 0.861 88 V CB 1.575 33.443 31.823 0.075 0.000 0.985 88 V HN 0.311 nan 8.190 nan 0.000 0.436 89 F N 9.061 129.019 119.950 0.014 0.000 2.421 89 F HA 0.498 5.026 4.527 0.002 0.000 0.358 89 F C -1.914 173.868 175.800 -0.029 0.000 1.115 89 F CA -1.896 56.096 58.000 -0.013 0.000 1.160 89 F CB 1.343 40.309 39.000 -0.057 0.000 1.123 89 F HN 0.319 nan 8.300 nan 0.000 0.508 90 P HA 0.293 nan 4.420 nan 0.000 0.292 90 P C -1.081 176.218 177.300 -0.001 0.000 1.283 90 P CA -0.315 62.758 63.100 -0.045 0.000 0.835 90 P CB 2.108 33.758 31.700 -0.084 0.000 1.017 91 I N 3.386 124.000 120.570 0.073 0.000 2.447 91 I HA 0.244 4.416 4.170 0.003 0.000 0.287 91 I C -0.135 175.992 176.117 0.017 0.000 1.023 91 I CA -1.010 60.330 61.300 0.067 0.000 1.083 91 I CB 2.157 40.197 38.000 0.066 0.000 1.245 91 I HN 0.041 nan 8.210 nan 0.000 0.434 92 V N 6.937 126.853 119.914 0.004 0.000 2.347 92 V HA 0.392 4.513 4.120 0.003 0.000 0.280 92 V C 0.334 176.413 176.094 -0.024 0.000 1.021 92 V CA -0.601 61.697 62.300 -0.003 0.000 0.847 92 V CB 1.582 33.413 31.823 0.013 0.000 0.990 92 V HN 0.439 nan 8.190 nan 0.000 0.444 93 L N 4.838 126.045 121.223 -0.027 0.000 2.326 93 L HA 0.815 5.157 4.340 0.003 0.000 0.278 93 L C 0.850 177.695 176.870 -0.041 0.000 1.092 93 L CA 0.155 54.971 54.840 -0.039 0.000 0.810 93 L CB 0.928 42.968 42.059 -0.032 0.000 1.153 93 L HN 0.765 nan 8.230 nan 0.000 0.439 94 G N 0.953 109.717 108.800 -0.059 0.000 3.022 94 G HA2 0.697 4.658 3.960 0.003 0.000 0.284 94 G HA3 0.697 4.658 3.960 0.003 0.000 0.284 94 G C -0.415 174.447 174.900 -0.064 0.000 1.375 94 G CA 0.057 45.122 45.100 -0.058 0.000 0.902 94 G HN 0.709 nan 8.290 nan 0.000 0.538 95 G N -1.199 107.565 108.800 -0.059 0.000 3.267 95 G HA2 0.443 4.404 3.960 0.003 0.000 0.200 95 G HA3 0.443 4.404 3.960 0.003 0.000 0.200 95 G C -0.513 174.345 174.900 -0.069 0.000 1.603 95 G CA -0.178 44.884 45.100 -0.062 0.000 0.753 95 G HN 0.517 nan 8.290 nan 0.000 0.755 96 D N -0.519 119.853 120.400 -0.047 0.000 2.405 96 D HA -0.019 4.623 4.640 0.003 0.000 0.232 96 D C 0.749 177.077 176.300 0.047 0.000 1.240 96 D CA 0.603 54.595 54.000 -0.015 0.000 0.881 96 D CB 0.626 41.457 40.800 0.052 0.000 1.222 96 D HN 0.510 nan 8.370 nan 0.000 0.482 97 H N -0.639 118.441 119.070 0.017 0.000 2.547 97 H HA -0.015 4.543 4.556 0.003 0.000 0.272 97 H C 1.747 177.136 175.328 0.101 0.000 0.971 97 H CA 0.391 56.470 56.048 0.052 0.000 1.245 97 H CB 0.495 30.329 29.762 0.119 0.000 1.440 97 H HN 0.248 nan 8.280 nan 0.000 0.540 98 S N 1.485 117.325 115.700 0.233 0.000 2.400 98 S HA -0.254 4.218 4.470 0.003 0.000 0.234 98 S C 2.107 176.714 174.600 0.012 0.000 1.049 98 S CA 1.510 59.771 58.200 0.102 0.000 1.039 98 S CB -0.545 62.696 63.200 0.068 0.000 0.856 98 S HN 0.500 nan 8.310 nan 0.000 0.465 99 L N 1.302 122.542 121.223 0.028 0.000 2.270 99 L HA -0.013 4.329 4.340 0.003 0.000 0.217 99 L C 1.771 178.629 176.870 -0.020 0.000 1.107 99 L CA 1.516 56.339 54.840 -0.028 0.000 0.772 99 L CB -1.491 40.566 42.059 -0.004 0.000 0.902 99 L HN 0.038 nan 8.230 nan 0.000 0.439 100 S N -0.618 115.139 115.700 0.096 0.000 2.547 100 S HA 0.064 4.535 4.470 0.003 0.000 0.235 100 S C 1.778 176.388 174.600 0.018 0.000 0.980 100 S CA 1.237 59.518 58.200 0.135 0.000 0.941 100 S CB -0.436 62.986 63.200 0.369 0.000 0.763 100 S HN 0.520 nan 8.310 nan 0.000 0.532 101 M N 0.382 119.900 119.600 -0.136 0.000 2.254 101 M HA -0.002 4.479 4.480 0.003 0.000 0.265 101 M C 2.271 178.346 176.300 -0.375 0.000 1.066 101 M CA 1.295 56.410 55.300 -0.309 0.000 1.123 101 M CB -0.323 31.907 32.600 -0.618 0.000 1.388 101 M HN 0.440 nan 8.290 nan 0.000 0.425 102 G N -0.902 107.664 108.800 -0.391 0.000 2.656 102 G HA2 -0.080 3.881 3.960 0.003 0.000 0.211 102 G HA3 -0.080 3.881 3.960 0.003 0.000 0.211 102 G C 1.571 176.465 174.900 -0.011 0.000 1.137 102 G CA 0.672 45.698 45.100 -0.122 0.000 0.802 102 G HN 0.498 nan 8.290 nan 0.000 0.527 103 S N 0.304 115.978 115.700 -0.043 0.000 2.348 103 S HA -0.039 4.432 4.470 0.003 0.000 0.219 103 S C 2.273 176.813 174.600 -0.100 0.000 1.033 103 S CA 1.311 59.497 58.200 -0.023 0.000 0.974 103 S CB -0.468 62.750 63.200 0.030 0.000 0.868 103 S HN 0.008 nan 8.310 nan 0.000 0.459 104 V N 2.423 122.217 119.914 -0.200 0.000 2.490 104 V HA -0.080 4.042 4.120 0.003 0.000 0.250 104 V C 3.101 179.122 176.094 -0.121 0.000 1.061 104 V CA 1.722 63.818 62.300 -0.340 0.000 1.064 104 V CB -1.299 30.356 31.823 -0.280 0.000 0.670 104 V HN 0.697 nan 8.190 nan 0.000 0.461 105 A N -0.066 122.744 122.820 -0.016 0.000 1.929 105 A HA 0.019 4.341 4.320 0.003 0.000 0.216 105 A C 2.366 179.973 177.584 0.039 0.000 1.176 105 A CA 1.650 53.719 52.037 0.054 0.000 0.628 105 A CB -0.925 18.187 19.000 0.185 0.000 0.816 105 A HN 0.511 nan 8.150 nan 0.000 0.444 106 G N -0.620 108.202 108.800 0.037 0.000 2.394 106 G HA2 0.121 4.083 3.960 0.003 0.000 0.215 106 G HA3 0.121 4.083 3.960 0.003 0.000 0.215 106 G C 1.643 176.545 174.900 0.004 0.000 1.165 106 G CA 1.054 46.171 45.100 0.029 0.000 0.784 106 G HN 0.751 nan 8.290 nan 0.000 0.535 107 A N 0.764 123.575 122.820 -0.016 0.000 2.119 107 A HA 0.466 4.788 4.320 0.003 0.000 0.217 107 A C 2.551 180.126 177.584 -0.015 0.000 1.153 107 A CA 1.700 53.725 52.037 -0.020 0.000 0.692 107 A CB -0.328 18.666 19.000 -0.009 0.000 0.799 107 A HN 0.632 nan 8.150 nan 0.000 0.458 108 A N -0.443 122.367 122.820 -0.017 0.000 2.067 108 A HA 0.127 4.449 4.320 0.003 0.000 0.217 108 A C 1.351 178.938 177.584 0.005 0.000 1.156 108 A CA 0.696 52.731 52.037 -0.003 0.000 0.683 108 A CB -0.316 18.681 19.000 -0.005 0.000 0.808 108 A HN 0.555 nan 8.150 nan 0.000 0.455 109 R N -2.284 118.219 120.500 0.005 0.000 3.722 109 R HA -0.274 4.068 4.340 0.003 0.000 0.284 109 R C 1.154 177.458 176.300 0.007 0.000 1.165 109 R CA 0.576 56.680 56.100 0.007 0.000 0.779 109 R CB -2.538 27.766 30.300 0.007 0.000 1.179 109 R HN 1.522 nan 8.270 nan 0.000 0.491 110 G N -0.613 108.191 108.800 0.008 0.000 2.253 110 G HA2 -0.415 3.546 3.960 0.003 0.000 0.251 110 G HA3 -0.415 3.546 3.960 0.003 0.000 0.251 110 G C 0.393 175.298 174.900 0.008 0.000 0.998 110 G CA 0.406 45.509 45.100 0.006 0.000 0.621 110 G HN 0.412 nan 8.290 nan 0.000 0.524 111 R N 1.450 121.956 120.500 0.010 0.000 2.707 111 R HA 0.489 4.831 4.340 0.003 0.000 0.270 111 R C 0.714 177.023 176.300 0.015 0.000 1.083 111 R CA -1.026 55.081 56.100 0.012 0.000 1.182 111 R CB 0.086 30.395 30.300 0.014 0.000 1.084 111 R HN 0.434 nan 8.270 nan 0.000 0.528 112 R N 2.562 123.072 120.500 0.017 0.000 2.248 112 R HA 0.321 4.662 4.340 0.003 0.000 0.328 112 R C -0.666 175.652 176.300 0.029 0.000 1.067 112 R CA -0.375 55.737 56.100 0.020 0.000 0.924 112 R CB 0.079 30.389 30.300 0.016 0.000 1.013 112 R HN 0.450 nan 8.270 nan 0.000 0.454 113 V N 0.960 120.896 119.914 0.038 0.000 3.074 113 V HA 0.842 4.964 4.120 0.003 0.000 0.314 113 V C -0.056 176.081 176.094 0.072 0.000 1.117 113 V CA -0.852 61.482 62.300 0.055 0.000 1.014 113 V CB 1.915 33.776 31.823 0.064 0.000 1.057 113 V HN 0.762 nan 8.190 nan 0.000 0.438 114 G N 0.840 109.695 108.800 0.093 0.000 2.372 114 G HA2 0.583 4.545 3.960 0.003 0.000 0.323 114 G HA3 0.583 4.545 3.960 0.003 0.000 0.323 114 G C -0.876 174.120 174.900 0.161 0.000 1.152 114 G CA -0.618 44.550 45.100 0.114 0.000 0.906 114 G HN 1.043 nan 8.290 nan 0.000 0.460 115 V N 3.147 123.173 119.914 0.186 0.000 2.333 115 V HA 0.214 4.335 4.120 0.003 0.000 0.274 115 V C 0.126 176.390 176.094 0.284 0.000 1.028 115 V CA -0.676 61.784 62.300 0.266 0.000 0.851 115 V CB 1.189 33.182 31.823 0.283 0.000 1.000 115 V HN 0.500 nan 8.190 nan 0.000 0.456 116 V N 4.997 125.069 119.914 0.264 0.000 2.368 116 V HA 0.259 4.380 4.120 0.003 0.000 0.266 116 V C -0.231 176.046 176.094 0.305 0.000 1.045 116 V CA -0.483 61.959 62.300 0.236 0.000 0.899 116 V CB 1.019 32.929 31.823 0.145 0.000 1.006 116 V HN 0.933 nan 8.190 nan 0.000 0.470 117 W N 6.407 127.782 121.300 0.124 0.000 2.282 117 W HA 0.515 5.176 4.660 0.003 0.000 0.322 117 W C -0.855 175.735 176.519 0.118 0.000 1.011 117 W CA -0.785 56.645 57.345 0.140 0.000 1.392 117 W CB 1.792 31.336 29.460 0.140 0.000 1.215 117 W HN 0.415 nan 8.180 nan 0.000 0.394 118 V N 6.218 126.151 119.914 0.032 0.000 2.221 118 V HA 0.125 4.247 4.120 0.003 0.000 0.258 118 V C 0.109 176.183 176.094 -0.034 0.000 1.179 118 V CA -0.056 62.259 62.300 0.024 0.000 1.022 118 V CB 0.308 32.114 31.823 -0.029 0.000 1.228 118 V HN 0.418 nan 8.190 nan 0.000 0.487 119 D N 2.645 123.105 120.400 0.100 0.000 2.553 119 D HA 0.703 5.345 4.640 0.003 0.000 0.249 119 D C 0.722 177.081 176.300 0.099 0.000 1.062 119 D CA -0.100 53.981 54.000 0.134 0.000 1.085 119 D CB 2.954 43.993 40.800 0.398 0.000 1.350 119 D HN 0.274 nan 8.370 nan 0.000 0.575 120 A N 0.081 122.898 122.820 -0.005 0.000 2.169 120 A HA 0.156 4.478 4.320 0.003 0.000 0.210 120 A C 0.235 177.623 177.584 -0.327 0.000 1.168 120 A CA 0.663 52.578 52.037 -0.204 0.000 0.813 120 A CB -0.231 18.559 19.000 -0.350 0.000 0.861 120 A HN 0.569 nan 8.150 nan 0.000 0.481 121 H N -3.021 116.161 119.070 0.187 0.000 2.693 121 H HA 0.677 5.235 4.556 0.003 0.000 0.348 121 H C 0.735 176.212 175.328 0.249 0.000 1.222 121 H CA -0.127 56.035 56.048 0.191 0.000 1.270 121 H CB 1.533 31.416 29.762 0.200 0.000 1.798 121 H HN 0.042 nan 8.280 nan 0.000 0.592 122 A N -0.104 122.906 122.820 0.316 0.000 2.348 122 A HA 0.101 4.423 4.320 0.003 0.000 0.224 122 A C -0.029 177.656 177.584 0.168 0.000 1.227 122 A CA -0.056 52.099 52.037 0.196 0.000 0.885 122 A CB -0.317 18.715 19.000 0.054 0.000 0.933 122 A HN 0.802 nan 8.150 nan 0.000 0.506 123 D N -1.345 119.213 120.400 0.263 0.000 2.733 123 D HA -0.228 4.414 4.640 0.003 0.000 0.228 123 D C -0.206 176.108 176.300 0.023 0.000 1.182 123 D CA 1.089 55.190 54.000 0.167 0.000 0.620 123 D CB -1.287 39.682 40.800 0.281 0.000 1.027 123 D HN 0.555 nan 8.370 nan 0.000 0.415 124 F N 0.438 120.326 119.950 -0.103 0.000 2.881 124 F HA 0.237 4.767 4.527 0.005 0.000 0.343 124 F C 0.412 176.166 175.800 -0.077 0.000 1.233 124 F CA -0.660 57.257 58.000 -0.138 0.000 1.262 124 F CB 0.227 39.134 39.000 -0.155 0.000 0.980 124 F HN -0.253 nan 8.300 nan 0.000 0.506 125 N N -0.002 118.689 118.700 -0.014 0.000 2.492 125 N HA 0.444 5.186 4.740 0.003 0.000 0.289 125 N C -0.115 175.334 175.510 -0.101 0.000 1.133 125 N CA -0.282 52.754 53.050 -0.023 0.000 0.961 125 N CB 1.187 39.673 38.487 -0.001 0.000 1.186 125 N HN 0.208 nan 8.380 nan 0.000 0.493 126 T N -1.959 112.550 114.554 -0.074 0.000 2.949 126 T HA 0.403 4.755 4.350 0.003 0.000 0.287 126 T C -2.095 172.578 174.700 -0.045 0.000 1.034 126 T CA -1.910 60.142 62.100 -0.081 0.000 1.018 126 T CB 1.812 70.632 68.868 -0.081 0.000 1.135 126 T HN 0.132 nan 8.240 nan 0.000 0.532 127 P HA -0.071 nan 4.420 nan 0.000 0.216 127 P C 1.128 178.411 177.300 -0.028 0.000 1.150 127 P CA 1.031 64.118 63.100 -0.023 0.000 0.837 127 P CB 0.041 31.730 31.700 -0.018 0.000 0.786 128 E N -1.048 119.132 120.200 -0.034 0.000 2.085 128 E HA -0.135 4.217 4.350 0.003 0.000 0.194 128 E C 1.544 178.134 176.600 -0.016 0.000 0.994 128 E CA 1.828 58.211 56.400 -0.027 0.000 0.801 128 E CB -1.431 28.252 29.700 -0.028 0.000 0.743 128 E HN 0.352 nan 8.360 nan 0.000 0.453 129 T N -2.482 112.065 114.554 -0.012 0.000 3.273 129 T HA 0.464 4.816 4.350 0.003 0.000 0.254 129 T C 0.208 174.908 174.700 -0.000 0.000 1.002 129 T CA 0.123 62.222 62.100 -0.001 0.000 0.913 129 T CB -0.061 68.814 68.868 0.012 0.000 1.056 129 T HN 0.031 nan 8.240 nan 0.000 0.576 133 G N 0.797 109.568 108.800 -0.049 0.000 2.905 133 G HA2 -0.060 3.901 3.960 0.003 0.000 0.196 133 G HA3 -0.060 3.901 3.960 0.003 0.000 0.196 133 G C -0.129 174.724 174.900 -0.078 0.000 1.044 133 G CA 0.208 45.280 45.100 -0.047 0.000 0.778 133 G HN 0.773 nan 8.290 nan 0.000 0.474 134 N N 1.435 120.051 118.700 -0.141 0.000 2.301 134 N HA 0.227 4.968 4.740 0.003 0.000 0.267 134 N C 1.725 177.064 175.510 -0.286 0.000 1.304 134 N CA 0.213 53.090 53.050 -0.289 0.000 0.851 134 N CB 1.647 39.772 38.487 -0.603 0.000 1.070 134 N HN 0.205 nan 8.380 nan 0.000 0.483 135 V N 1.702 121.507 119.914 -0.181 0.000 2.490 135 V HA -0.249 3.873 4.120 0.003 0.000 0.250 135 V C 1.654 177.720 176.094 -0.047 0.000 1.061 135 V CA 1.656 63.910 62.300 -0.078 0.000 1.064 135 V CB -1.094 30.729 31.823 -0.000 0.000 0.670 135 V HN 0.826 nan 8.190 nan 0.000 0.461 136 H N 0.815 119.914 119.070 0.047 0.000 2.562 136 H HA 0.283 4.841 4.556 0.002 0.000 0.272 136 H C 1.573 176.944 175.328 0.072 0.000 1.019 136 H CA 0.672 56.764 56.048 0.074 0.000 1.160 136 H CB -0.649 29.166 29.762 0.089 0.000 1.334 136 H HN 0.369 nan 8.280 nan 0.000 0.611 137 G N -0.151 108.668 108.800 0.031 0.000 3.453 137 G HA2 0.226 4.187 3.960 0.003 0.000 0.263 137 G HA3 0.226 4.187 3.960 0.003 0.000 0.263 137 G C 0.589 175.497 174.900 0.014 0.000 1.060 137 G CA -0.138 45.000 45.100 0.063 0.000 0.793 137 G HN 0.489 nan 8.290 nan 0.000 0.532 138 M N -0.694 118.894 119.600 -0.021 0.000 2.410 138 M HA 0.252 4.734 4.480 0.003 0.000 0.376 138 M C -2.019 174.198 176.300 -0.137 0.000 1.051 138 M CA -0.842 54.401 55.300 -0.094 0.000 0.949 138 M CB 1.192 33.738 32.600 -0.090 0.000 1.577 138 M HN -0.181 nan 8.290 nan 0.000 0.560 139 P HA -0.141 nan 4.420 nan 0.000 0.214 139 P C 1.660 178.794 177.300 -0.276 0.000 1.163 139 P CA 1.046 64.080 63.100 -0.110 0.000 0.883 139 P CB 0.120 31.852 31.700 0.053 0.000 0.788 140 L N -1.131 119.766 121.223 -0.545 0.000 2.450 140 L HA -0.038 4.304 4.340 0.003 0.000 0.224 140 L C 1.903 178.477 176.870 -0.493 0.000 1.149 140 L CA 1.339 55.778 54.840 -0.668 0.000 0.816 140 L CB -1.484 39.938 42.059 -1.062 0.000 0.932 140 L HN -0.131 nan 8.230 nan 0.000 0.449 141 A N -1.858 120.588 122.820 -0.624 0.000 1.887 141 A HA 0.005 4.327 4.320 0.003 0.000 0.212 141 A C 2.163 179.467 177.584 -0.465 0.000 1.198 141 A CA 1.181 52.655 52.037 -0.938 0.000 0.628 141 A CB -0.679 17.801 19.000 -0.867 0.000 0.847 141 A HN 0.182 nan 8.150 nan 0.000 0.449 142 V N 0.739 120.489 119.914 -0.274 0.000 2.255 142 V HA -0.290 3.832 4.120 0.003 0.000 0.247 142 V C 2.593 178.637 176.094 -0.083 0.000 1.051 142 V CA 2.079 64.306 62.300 -0.120 0.000 1.018 142 V CB -0.976 30.829 31.823 -0.031 0.000 0.641 142 V HN 0.567 nan 8.190 nan 0.000 0.445 143 L N 0.205 121.373 121.223 -0.093 0.000 2.051 143 L HA -0.213 4.129 4.340 0.003 0.000 0.214 143 L C 2.233 179.073 176.870 -0.050 0.000 1.076 143 L CA 1.895 56.709 54.840 -0.044 0.000 0.758 143 L CB -0.722 41.302 42.059 -0.059 0.000 0.890 143 L HN 0.317 nan 8.230 nan 0.000 0.433 144 S N -0.133 115.506 115.700 -0.102 0.000 2.720 144 S HA 0.132 4.604 4.470 0.003 0.000 0.222 144 S C 1.305 175.863 174.600 -0.070 0.000 0.958 144 S CA 0.600 58.765 58.200 -0.058 0.000 0.943 144 S CB -0.184 63.000 63.200 -0.026 0.000 0.779 144 S HN 0.675 nan 8.310 nan 0.000 0.526 145 G N 1.527 110.283 108.800 -0.074 0.000 2.273 145 G HA2 -0.252 3.709 3.960 0.003 0.000 0.280 145 G HA3 -0.252 3.709 3.960 0.003 0.000 0.280 145 G C -0.239 174.611 174.900 -0.083 0.000 1.047 145 G CA -0.071 44.995 45.100 -0.057 0.000 0.869 145 G HN 0.517 nan 8.290 nan 0.000 0.502 146 L N -0.091 121.043 121.223 -0.148 0.000 2.388 146 L HA 0.732 5.074 4.340 0.003 0.000 0.267 146 L C 0.739 177.510 176.870 -0.165 0.000 0.995 146 L CA 0.028 54.766 54.840 -0.169 0.000 0.864 146 L CB 1.391 43.289 42.059 -0.269 0.000 1.216 146 L HN 0.766 nan 8.230 nan 0.000 0.430 147 G N 0.670 109.415 108.800 -0.092 0.000 2.356 147 G HA2 -0.030 3.931 3.960 0.003 0.000 0.266 147 G HA3 -0.030 3.931 3.960 0.003 0.000 0.266 147 G C -1.435 173.468 174.900 0.005 0.000 1.312 147 G CA -0.920 44.147 45.100 -0.055 0.000 0.922 147 G HN 0.564 nan 8.290 nan 0.000 0.480 148 H N 2.714 121.759 119.070 -0.043 0.000 3.070 148 H HA 0.278 4.835 4.556 0.003 0.000 0.313 148 H C -0.825 174.493 175.328 -0.016 0.000 0.997 148 H CA -0.445 55.588 56.048 -0.025 0.000 1.438 148 H CB 1.466 31.220 29.762 -0.013 0.000 1.455 148 H HN 0.198 nan 8.280 nan 0.000 0.575 149 P HA -0.146 nan 4.420 nan 0.000 0.230 149 P C 1.140 178.546 177.300 0.176 0.000 1.158 149 P CA 0.754 63.942 63.100 0.146 0.000 0.769 149 P CB 0.331 32.062 31.700 0.053 0.000 0.807 150 R N -0.522 120.167 120.500 0.316 0.000 2.280 150 R HA 0.126 4.467 4.340 0.003 0.000 0.207 150 R C 1.990 178.282 176.300 -0.014 0.000 1.043 150 R CA 0.573 56.693 56.100 0.033 0.000 1.006 150 R CB -0.555 29.626 30.300 -0.197 0.000 0.885 150 R HN 0.357 nan 8.270 nan 0.000 0.467 151 L N -1.465 119.792 121.223 0.056 0.000 2.600 151 L HA 0.048 4.389 4.340 0.003 0.000 0.213 151 L C 2.097 179.028 176.870 0.102 0.000 1.045 151 L CA 0.709 55.633 54.840 0.139 0.000 0.863 151 L CB -0.396 41.786 42.059 0.206 0.000 1.189 151 L HN 0.026 nan 8.230 nan 0.000 0.484 152 T N -1.795 112.803 114.554 0.074 0.000 2.929 152 T HA -0.221 4.130 4.350 0.003 0.000 0.271 152 T C 1.473 176.164 174.700 -0.015 0.000 1.085 152 T CA 1.442 63.562 62.100 0.032 0.000 1.125 152 T CB -0.382 68.492 68.868 0.011 0.000 0.874 152 T HN 0.556 nan 8.240 nan 0.000 0.494 153 E N 1.724 121.899 120.200 -0.041 0.000 2.358 153 E HA -0.045 4.307 4.350 0.003 0.000 0.195 153 E C 1.816 178.326 176.600 -0.150 0.000 1.010 153 E CA 1.156 57.511 56.400 -0.076 0.000 0.856 153 E CB -0.133 29.532 29.700 -0.058 0.000 0.795 153 E HN 0.643 nan 8.360 nan 0.000 0.504 154 V N -3.802 115.947 119.914 -0.276 0.000 3.497 154 V HA 0.265 4.387 4.120 0.003 0.000 0.272 154 V C 0.993 176.746 176.094 -0.568 0.000 1.474 154 V CA -0.329 61.685 62.300 -0.477 0.000 1.025 154 V CB -0.334 31.044 31.823 -0.743 0.000 0.820 154 V HN 0.069 nan 8.190 nan 0.000 0.437 155 F N 1.264 121.202 119.950 -0.019 0.000 2.706 155 F HA 0.491 5.019 4.527 0.002 0.000 0.308 155 F C 1.268 177.050 175.800 -0.031 0.000 1.095 155 F CA -1.089 56.898 58.000 -0.023 0.000 1.244 155 F CB 0.117 39.104 39.000 -0.021 0.000 1.063 155 F HN 0.033 nan 8.300 nan 0.000 0.582 156 R N 1.583 122.135 120.500 0.087 0.000 2.489 156 R HA 0.436 4.778 4.340 0.003 0.000 0.287 156 R C 0.156 176.476 176.300 0.034 0.000 1.053 156 R CA 0.861 56.986 56.100 0.043 0.000 1.036 156 R CB 0.461 30.766 30.300 0.007 0.000 0.966 156 R HN 0.145 nan 8.270 nan 0.000 0.432 157 A N 4.069 126.906 122.820 0.029 0.000 2.455 157 A HA 0.236 4.558 4.320 0.003 0.000 0.233 157 A C -1.130 176.465 177.584 0.018 0.000 0.968 157 A CA -0.284 51.767 52.037 0.023 0.000 1.189 157 A CB 0.524 19.543 19.000 0.032 0.000 1.175 157 A HN 0.477 nan 8.150 nan 0.000 0.451 158 V N -0.009 119.916 119.914 0.017 0.000 3.048 158 V HA 0.488 4.609 4.120 0.003 0.000 0.303 158 V C -2.000 174.111 176.094 0.028 0.000 1.214 158 V CA -0.608 61.708 62.300 0.026 0.000 0.984 158 V CB 2.148 33.992 31.823 0.035 0.000 1.054 158 V HN 0.348 nan 8.190 nan 0.000 0.430 159 D N 5.620 126.041 120.400 0.035 0.000 2.277 159 D HA 0.410 5.052 4.640 0.003 0.000 0.249 159 D C -1.768 174.566 176.300 0.056 0.000 1.134 159 D CA -1.853 52.170 54.000 0.037 0.000 0.863 159 D CB 2.374 43.191 40.800 0.028 0.000 1.143 159 D HN 0.238 nan 8.370 nan 0.000 0.458 160 P HA -0.192 nan 4.420 nan 0.000 0.218 160 P C 0.681 178.027 177.300 0.077 0.000 1.152 160 P CA 1.713 64.869 63.100 0.094 0.000 0.857 160 P CB 0.215 31.977 31.700 0.103 0.000 0.787 161 K N -1.304 119.139 120.400 0.070 0.000 2.525 161 K HA -0.018 4.303 4.320 0.003 0.000 0.192 161 K C 0.240 176.901 176.600 0.102 0.000 1.029 161 K CA 0.732 57.075 56.287 0.092 0.000 1.029 161 K CB -0.175 32.355 32.500 0.049 0.000 0.814 161 K HN 0.213 nan 8.250 nan 0.000 0.503 162 D N 1.076 121.527 120.400 0.085 0.000 2.559 162 D HA 0.089 4.731 4.640 0.003 0.000 0.234 162 D C -0.697 175.683 176.300 0.134 0.000 1.226 162 D CA 0.093 54.145 54.000 0.085 0.000 0.830 162 D CB 0.737 41.570 40.800 0.055 0.000 1.028 162 D HN -0.174 nan 8.370 nan 0.000 0.492 163 V N 0.672 120.675 119.914 0.150 0.000 2.588 163 V HA 0.460 4.582 4.120 0.003 0.000 0.304 163 V C -0.014 176.158 176.094 0.129 0.000 1.042 163 V CA -0.856 61.526 62.300 0.136 0.000 0.877 163 V CB 2.765 34.635 31.823 0.078 0.000 0.996 163 V HN -0.256 nan 8.190 nan 0.000 0.425 164 V N 5.795 125.808 119.914 0.165 0.000 2.531 164 V HA 0.493 4.614 4.120 0.003 0.000 0.301 164 V C -0.301 175.910 176.094 0.195 0.000 1.034 164 V CA -0.436 61.952 62.300 0.147 0.000 0.865 164 V CB 1.860 33.813 31.823 0.216 0.000 0.995 164 V HN 0.671 nan 8.190 nan 0.000 0.424 165 L N 4.906 126.215 121.223 0.142 0.000 2.357 165 L HA 0.762 5.104 4.340 0.003 0.000 0.273 165 L C -0.792 176.224 176.870 0.243 0.000 1.080 165 L CA -0.599 54.362 54.840 0.201 0.000 0.803 165 L CB 1.923 44.038 42.059 0.093 0.000 1.174 165 L HN 0.388 nan 8.230 nan 0.000 0.443 166 V N 1.256 121.306 119.914 0.227 0.000 2.697 166 V HA 0.571 4.693 4.120 0.003 0.000 0.300 166 V C 0.373 176.539 176.094 0.120 0.000 1.115 166 V CA 0.183 62.595 62.300 0.187 0.000 0.912 166 V CB 1.333 33.227 31.823 0.118 0.000 1.024 166 V HN 0.978 nan 8.190 nan 0.000 0.431 167 G N 3.630 112.491 108.800 0.101 0.000 2.231 167 G HA2 -0.169 3.792 3.960 0.003 0.000 0.206 167 G HA3 -0.169 3.792 3.960 0.003 0.000 0.206 167 G C 0.162 175.087 174.900 0.043 0.000 0.996 167 G CA -0.114 45.019 45.100 0.055 0.000 0.645 167 G HN 0.953 nan 8.290 nan 0.000 0.498 168 V N 2.021 121.976 119.914 0.067 0.000 2.726 168 V HA 0.245 4.366 4.120 0.003 0.000 0.304 168 V C 1.519 177.624 176.094 0.018 0.000 1.115 168 V CA 1.914 64.239 62.300 0.043 0.000 1.264 168 V CB 0.664 32.520 31.823 0.055 0.000 0.867 168 V HN 0.838 nan 8.190 nan 0.000 0.498 169 R N 1.669 122.158 120.500 -0.018 0.000 2.468 169 R HA 0.355 4.696 4.340 0.003 0.000 0.352 169 R C 0.026 176.323 176.300 -0.004 0.000 0.858 169 R CA -0.034 56.061 56.100 -0.008 0.000 1.108 169 R CB 0.558 30.847 30.300 -0.018 0.000 1.741 169 R HN 0.518 nan 8.270 nan 0.000 0.504 170 S N 1.158 116.859 115.700 0.002 0.000 2.689 170 S HA 0.622 5.093 4.470 0.003 0.000 0.274 170 S C -1.422 173.265 174.600 0.145 0.000 1.176 170 S CA -0.578 57.672 58.200 0.083 0.000 1.014 170 S CB 0.938 64.221 63.200 0.139 0.000 1.071 170 S HN 0.280 nan 8.310 nan 0.000 0.478 171 L N 3.161 124.450 121.223 0.109 0.000 2.434 171 L HA 0.626 4.967 4.340 0.003 0.000 0.260 171 L C -0.828 176.089 176.870 0.078 0.000 0.983 171 L CA -1.090 53.809 54.840 0.098 0.000 0.820 171 L CB 2.119 44.209 42.059 0.052 0.000 1.361 171 L HN 0.493 nan 8.230 nan 0.000 0.410 172 D N 1.466 121.911 120.400 0.075 0.000 2.312 172 D HA 0.228 4.870 4.640 0.003 0.000 0.248 172 D C -1.727 174.597 176.300 0.040 0.000 1.086 172 D CA -1.375 52.658 54.000 0.055 0.000 0.948 172 D CB 1.819 42.650 40.800 0.052 0.000 1.162 172 D HN 0.199 nan 8.370 nan 0.000 0.446 173 P HA -0.161 nan 4.420 nan 0.000 0.214 173 P C 1.439 178.752 177.300 0.021 0.000 1.169 173 P CA 1.635 64.746 63.100 0.019 0.000 0.908 173 P CB 0.109 31.818 31.700 0.015 0.000 0.791 174 G N -0.279 108.536 108.800 0.026 0.000 2.476 174 G HA2 -0.303 3.659 3.960 0.003 0.000 0.218 174 G HA3 -0.303 3.659 3.960 0.003 0.000 0.218 174 G C 1.484 176.416 174.900 0.053 0.000 1.164 174 G CA 0.947 46.067 45.100 0.032 0.000 0.768 174 G HN 0.290 nan 8.290 nan 0.000 0.560 175 E N 0.426 120.667 120.200 0.068 0.000 2.048 175 E HA -0.208 4.144 4.350 0.003 0.000 0.202 175 E C 2.573 179.198 176.600 0.043 0.000 1.021 175 E CA 1.415 57.877 56.400 0.104 0.000 0.825 175 E CB -0.171 29.589 29.700 0.099 0.000 0.756 175 E HN 0.403 nan 8.360 nan 0.000 0.454 176 K N 0.311 120.716 120.400 0.008 0.000 2.089 176 K HA -0.252 4.070 4.320 0.003 0.000 0.210 176 K C 2.275 178.855 176.600 -0.034 0.000 1.048 176 K CA 1.542 57.810 56.287 -0.031 0.000 0.926 176 K CB -0.196 32.290 32.500 -0.023 0.000 0.714 176 K HN -0.015 nan 8.250 nan 0.000 0.448 177 R N 0.983 121.481 120.500 -0.003 0.000 2.061 177 R HA -0.053 4.288 4.340 0.003 0.000 0.230 177 R C 2.319 178.630 176.300 0.018 0.000 1.140 177 R CA 1.203 57.304 56.100 0.001 0.000 0.940 177 R CB -0.352 29.955 30.300 0.012 0.000 0.839 177 R HN 0.078 nan 8.270 nan 0.000 0.429 178 L N 0.677 121.944 121.223 0.073 0.000 2.051 178 L HA -0.291 4.050 4.340 0.003 0.000 0.214 178 L C 2.452 179.396 176.870 0.123 0.000 1.076 178 L CA 1.417 56.357 54.840 0.166 0.000 0.758 178 L CB -0.588 41.660 42.059 0.316 0.000 0.890 178 L HN 0.322 nan 8.230 nan 0.000 0.433 179 L N -0.569 120.601 121.223 -0.089 0.000 2.017 179 L HA -0.243 4.098 4.340 0.003 0.000 0.208 179 L C 2.743 179.497 176.870 -0.193 0.000 1.073 179 L CA 1.504 56.123 54.840 -0.367 0.000 0.745 179 L CB -0.466 41.323 42.059 -0.450 0.000 0.894 179 L HN 0.247 nan 8.230 nan 0.000 0.432 180 K N -0.062 120.268 120.400 -0.117 0.000 2.032 180 K HA -0.201 4.120 4.320 0.003 0.000 0.209 180 K C 1.992 178.563 176.600 -0.048 0.000 1.048 180 K CA 1.531 57.768 56.287 -0.084 0.000 0.927 180 K CB -0.036 32.426 32.500 -0.062 0.000 0.712 180 K HN 0.362 nan 8.250 nan 0.000 0.441 181 E N 0.106 120.295 120.200 -0.018 0.000 2.058 181 E HA -0.213 4.138 4.350 0.003 0.000 0.194 181 E C 1.996 178.606 176.600 0.017 0.000 0.997 181 E CA 1.196 57.600 56.400 0.007 0.000 0.801 181 E CB -0.144 29.574 29.700 0.029 0.000 0.746 181 E HN 0.330 nan 8.360 nan 0.000 0.450 182 A N 0.265 123.107 122.820 0.036 0.000 1.972 182 A HA -0.007 4.314 4.320 0.003 0.000 0.219 182 A C 2.001 179.597 177.584 0.019 0.000 1.169 182 A CA 1.582 53.659 52.037 0.066 0.000 0.635 182 A CB -0.540 18.567 19.000 0.178 0.000 0.810 182 A HN 0.426 nan 8.150 nan 0.000 0.446 183 G N -2.287 106.496 108.800 -0.028 0.000 2.141 183 G HA2 -0.164 3.797 3.960 0.003 0.000 0.231 183 G HA3 -0.164 3.797 3.960 0.003 0.000 0.231 183 G C 0.115 174.991 174.900 -0.041 0.000 0.984 183 G CA 0.002 45.087 45.100 -0.024 0.000 0.660 183 G HN 0.919 nan 8.290 nan 0.000 0.525 184 V N 1.122 120.970 119.914 -0.111 0.000 2.529 184 V HA 0.376 4.498 4.120 0.003 0.000 0.292 184 V C 1.199 177.173 176.094 -0.200 0.000 1.028 184 V CA -0.014 62.193 62.300 -0.155 0.000 1.074 184 V CB 1.029 32.655 31.823 -0.329 0.000 0.958 184 V HN 0.548 nan 8.190 nan 0.000 0.481 185 R N 4.938 125.312 120.500 -0.210 0.000 2.370 185 R HA 0.373 4.714 4.340 0.003 0.000 0.309 185 R C -1.036 175.052 176.300 -0.353 0.000 1.059 185 R CA 0.142 56.018 56.100 -0.373 0.000 0.981 185 R CB 0.495 30.436 30.300 -0.597 0.000 0.972 185 R HN 0.513 nan 8.270 nan 0.000 0.437 186 V N 6.877 126.546 119.914 -0.409 0.000 2.407 186 V HA 0.293 4.415 4.120 0.003 0.000 0.291 186 V C -1.075 174.813 176.094 -0.344 0.000 1.018 186 V CA -0.738 61.387 62.300 -0.291 0.000 0.842 186 V CB 1.119 32.817 31.823 -0.209 0.000 0.996 186 V HN 0.645 nan 8.190 nan 0.000 0.426 187 Y N 3.344 123.626 120.300 -0.029 0.000 2.594 187 Y HA 0.417 4.969 4.550 0.002 0.000 0.342 187 Y C 1.358 177.265 175.900 0.012 0.000 1.010 187 Y CA -0.509 57.587 58.100 -0.006 0.000 1.270 187 Y CB 1.072 39.532 38.460 -0.001 0.000 1.125 187 Y HN 0.782 nan 8.280 nan 0.000 0.513 188 T N -0.781 113.848 114.554 0.125 0.000 2.788 188 T HA 0.076 4.428 4.350 0.003 0.000 0.287 188 T C 1.520 176.299 174.700 0.130 0.000 1.007 188 T CA -0.843 61.318 62.100 0.102 0.000 1.005 188 T CB 0.745 69.655 68.868 0.071 0.000 1.012 188 T HN 0.497 nan 8.240 nan 0.000 0.530 189 M N 0.429 120.087 119.600 0.096 0.000 2.202 189 M HA -0.130 4.352 4.480 0.003 0.000 0.262 189 M C 2.152 178.505 176.300 0.088 0.000 1.063 189 M CA 1.611 56.955 55.300 0.074 0.000 1.097 189 M CB -1.847 30.781 32.600 0.048 0.000 1.382 189 M HN 0.864 nan 8.290 nan 0.000 0.413 190 H N 0.673 119.762 119.070 0.031 0.000 2.289 190 H HA -0.203 4.354 4.556 0.002 0.000 0.294 190 H C 1.652 177.005 175.328 0.041 0.000 1.095 190 H CA 2.473 58.538 56.048 0.028 0.000 1.256 190 H CB 0.136 29.909 29.762 0.020 0.000 1.359 190 H HN 0.325 nan 8.280 nan 0.000 0.487 191 E N 0.047 120.386 120.200 0.231 0.000 2.031 191 E HA -0.114 4.238 4.350 0.003 0.000 0.193 191 E C 2.686 179.337 176.600 0.085 0.000 0.994 191 E CA 1.296 57.815 56.400 0.199 0.000 0.800 191 E CB -0.376 29.516 29.700 0.319 0.000 0.752 191 E HN 0.224 nan 8.360 nan 0.000 0.447 192 V N 1.764 121.720 119.914 0.071 0.000 2.278 192 V HA -0.318 3.804 4.120 0.003 0.000 0.251 192 V C 1.659 177.741 176.094 -0.019 0.000 1.062 192 V CA 2.218 64.523 62.300 0.009 0.000 1.038 192 V CB -0.528 31.301 31.823 0.011 0.000 0.646 192 V HN 0.267 nan 8.190 nan 0.000 0.447 193 D N -0.956 119.422 120.400 -0.036 0.000 2.178 193 D HA -0.118 4.524 4.640 0.003 0.000 0.202 193 D C 2.361 178.609 176.300 -0.087 0.000 0.974 193 D CA 1.009 54.968 54.000 -0.067 0.000 0.841 193 D CB -0.177 40.565 40.800 -0.096 0.000 0.953 193 D HN 0.322 nan 8.370 nan 0.000 0.478 194 R N -0.116 120.320 120.500 -0.106 0.000 2.140 194 R HA 0.109 4.451 4.340 0.003 0.000 0.213 194 R C 2.078 178.360 176.300 -0.031 0.000 1.059 194 R CA 0.307 56.355 56.100 -0.088 0.000 1.000 194 R CB 0.227 30.462 30.300 -0.109 0.000 0.910 194 R HN 0.178 nan 8.270 nan 0.000 0.455 195 L N -1.268 119.948 121.223 -0.013 0.000 2.388 195 L HA 0.320 4.661 4.340 0.003 0.000 0.209 195 L C 0.673 177.528 176.870 -0.025 0.000 1.061 195 L CA 0.399 55.235 54.840 -0.007 0.000 0.834 195 L CB 0.205 42.269 42.059 0.008 0.000 1.029 195 L HN 0.282 nan 8.230 nan 0.000 0.473 196 G N -0.371 108.408 108.800 -0.034 0.000 2.907 196 G HA2 -0.154 3.807 3.960 0.003 0.000 0.686 196 G HA3 -0.154 3.807 3.960 0.003 0.000 0.686 196 G C 0.176 175.041 174.900 -0.058 0.000 1.115 196 G CA -0.446 44.632 45.100 -0.037 0.000 0.760 196 G HN -0.207 nan 8.290 nan 0.000 0.620 197 V N 2.109 121.989 119.914 -0.056 0.000 2.380 197 V HA -0.221 3.901 4.120 0.003 0.000 0.251 197 V C 3.390 179.439 176.094 -0.076 0.000 1.063 197 V CA 3.572 65.827 62.300 -0.075 0.000 1.055 197 V CB -1.253 30.537 31.823 -0.055 0.000 0.657 197 V HN 1.824 nan 8.190 nan 0.000 0.455 198 A N -0.426 122.363 122.820 -0.051 0.000 1.892 198 A HA -0.298 4.023 4.320 0.003 0.000 0.218 198 A C 2.412 179.963 177.584 -0.055 0.000 1.188 198 A CA 2.263 54.274 52.037 -0.043 0.000 0.631 198 A CB -0.579 18.404 19.000 -0.028 0.000 0.822 198 A HN 0.488 nan 8.150 nan 0.000 0.447 199 R N -0.972 119.493 120.500 -0.058 0.000 2.148 199 R HA 0.085 4.426 4.340 0.003 0.000 0.223 199 R C 1.885 178.116 176.300 -0.115 0.000 1.088 199 R CA 1.102 57.165 56.100 -0.061 0.000 0.985 199 R CB -0.279 29.998 30.300 -0.039 0.000 0.880 199 R HN 0.610 nan 8.270 nan 0.000 0.451 200 I N -0.046 120.411 120.570 -0.188 0.000 2.617 200 I HA -0.150 4.022 4.170 0.003 0.000 0.256 200 I C 2.278 178.207 176.117 -0.313 0.000 1.167 200 I CA 0.645 61.708 61.300 -0.396 0.000 1.469 200 I CB -0.141 37.561 38.000 -0.497 0.000 1.098 200 I HN 0.166 nan 8.210 nan 0.000 0.436 201 A N 0.648 123.368 122.820 -0.167 0.000 1.930 201 A HA -0.125 4.197 4.320 0.003 0.000 0.215 201 A C 2.193 179.744 177.584 -0.055 0.000 1.176 201 A CA 0.996 52.974 52.037 -0.098 0.000 0.632 201 A CB -0.286 18.675 19.000 -0.065 0.000 0.819 201 A HN 0.351 nan 8.150 nan 0.000 0.445 202 E N 0.279 120.451 120.200 -0.048 0.000 2.077 202 E HA -0.213 4.139 4.350 0.003 0.000 0.193 202 E C 1.789 178.395 176.600 0.009 0.000 0.989 202 E CA 1.359 57.751 56.400 -0.013 0.000 0.800 202 E CB -0.350 29.344 29.700 -0.011 0.000 0.746 202 E HN 0.747 nan 8.360 nan 0.000 0.452 203 E N 0.727 120.923 120.200 -0.008 0.000 2.150 203 E HA -0.114 4.238 4.350 0.003 0.000 0.193 203 E C 2.265 178.931 176.600 0.110 0.000 0.985 203 E CA 0.682 57.115 56.400 0.055 0.000 0.814 203 E CB 0.107 29.843 29.700 0.060 0.000 0.752 203 E HN 0.014 nan 8.360 nan 0.000 0.466 204 V N 1.403 121.346 119.914 0.048 0.000 2.237 204 V HA -0.280 3.842 4.120 0.003 0.000 0.245 204 V C 2.321 178.499 176.094 0.139 0.000 1.046 204 V CA 1.580 63.953 62.300 0.121 0.000 1.007 204 V CB -0.455 31.402 31.823 0.058 0.000 0.638 204 V HN 0.286 nan 8.190 nan 0.000 0.445 205 L N -0.168 121.105 121.223 0.083 0.000 2.079 205 L HA -0.236 4.105 4.340 0.003 0.000 0.210 205 L C 2.569 179.487 176.870 0.081 0.000 1.081 205 L CA 1.855 56.740 54.840 0.074 0.000 0.752 205 L CB -0.581 41.505 42.059 0.045 0.000 0.896 205 L HN 0.316 nan 8.230 nan 0.000 0.433 206 K N -0.219 120.235 120.400 0.091 0.000 2.031 206 K HA -0.223 4.099 4.320 0.003 0.000 0.205 206 K C 2.170 178.834 176.600 0.106 0.000 1.049 206 K CA 1.494 57.832 56.287 0.085 0.000 0.939 206 K CB -0.364 32.187 32.500 0.084 0.000 0.717 206 K HN 0.214 nan 8.250 nan 0.000 0.438 207 H N -0.206 118.903 119.070 0.066 0.000 2.426 207 H HA -0.015 4.541 4.556 0.001 0.000 0.298 207 H C 0.308 175.671 175.328 0.059 0.000 1.107 207 H CA 2.033 58.121 56.048 0.068 0.000 1.298 207 H CB 0.087 29.907 29.762 0.097 0.000 1.377 207 H HN 0.191 nan 8.280 nan 0.000 0.519 208 L N 2.058 123.329 121.223 0.080 0.000 3.154 208 L HA 0.191 4.533 4.340 0.003 0.000 0.266 208 L C 0.063 176.951 176.870 0.030 0.000 1.300 208 L CA -0.515 54.344 54.840 0.032 0.000 1.028 208 L CB 0.045 42.166 42.059 0.103 0.000 1.412 208 L HN 0.298 nan 8.230 nan 0.000 0.564 209 Q N 0.403 120.211 119.800 0.014 0.000 2.395 209 Q HA 0.259 4.600 4.340 0.003 0.000 0.271 209 Q C 1.052 177.060 176.000 0.013 0.000 1.026 209 Q CA 0.622 56.437 55.803 0.020 0.000 0.900 209 Q CB 0.762 29.509 28.738 0.015 0.000 1.266 209 Q HN 0.400 nan 8.270 nan 0.000 0.430 210 G N 2.151 110.963 108.800 0.021 0.000 2.175 210 G HA2 -0.267 3.694 3.960 0.003 0.000 0.265 210 G HA3 -0.267 3.694 3.960 0.003 0.000 0.265 210 G C -0.207 174.707 174.900 0.023 0.000 0.979 210 G CA 0.561 45.672 45.100 0.020 0.000 0.663 210 G HN 0.524 nan 8.290 nan 0.000 0.533 211 L N 1.169 122.410 121.223 0.031 0.000 2.346 211 L HA 0.552 4.894 4.340 0.003 0.000 0.274 211 L C -1.878 175.022 176.870 0.051 0.000 1.007 211 L CA -2.577 52.285 54.840 0.037 0.000 0.818 211 L CB 2.232 44.313 42.059 0.037 0.000 1.284 211 L HN -0.131 nan 8.230 nan 0.000 0.424 212 P HA 0.262 nan 4.420 nan 0.000 0.274 212 P C -1.251 176.095 177.300 0.077 0.000 1.231 212 P CA -0.208 62.929 63.100 0.062 0.000 0.790 212 P CB 1.008 32.739 31.700 0.053 0.000 0.951 213 L N 1.843 123.119 121.223 0.088 0.000 2.346 213 L HA 0.435 4.777 4.340 0.003 0.000 0.274 213 L C 0.543 177.485 176.870 0.120 0.000 1.007 213 L CA -0.802 54.104 54.840 0.110 0.000 0.818 213 L CB 1.713 43.833 42.059 0.102 0.000 1.284 213 L HN 0.503 nan 8.230 nan 0.000 0.424 214 H N 3.027 122.131 119.070 0.057 0.000 2.551 214 H HA 0.430 4.987 4.556 0.002 0.000 0.321 214 H C -1.544 173.830 175.328 0.077 0.000 1.028 214 H CA -0.493 55.577 56.048 0.037 0.000 1.215 214 H CB 1.784 31.570 29.762 0.040 0.000 1.414 214 H HN 0.298 nan 8.280 nan 0.000 0.480 215 V N 4.772 124.510 119.914 -0.293 0.000 2.383 215 V HA 0.119 4.241 4.120 0.003 0.000 0.275 215 V C 0.493 176.402 176.094 -0.309 0.000 1.036 215 V CA -0.384 61.821 62.300 -0.159 0.000 0.889 215 V CB 1.280 33.049 31.823 -0.089 0.000 0.985 215 V HN 0.736 nan 8.190 nan 0.000 0.459 216 S N 5.130 120.763 115.700 -0.112 0.000 2.438 216 S HA 0.628 5.099 4.470 0.003 0.000 0.316 216 S C -0.840 173.580 174.600 -0.300 0.000 1.084 216 S CA -0.483 57.603 58.200 -0.190 0.000 1.107 216 S CB 0.715 63.796 63.200 -0.198 0.000 0.981 216 S HN 0.540 nan 8.310 nan 0.000 0.466 217 L N 5.667 126.717 121.223 -0.289 0.000 2.318 217 L HA 0.524 4.866 4.340 0.003 0.000 0.277 217 L C -0.556 176.120 176.870 -0.323 0.000 1.008 217 L CA -0.338 54.342 54.840 -0.266 0.000 0.846 217 L CB 1.250 43.195 42.059 -0.191 0.000 1.220 217 L HN 0.557 nan 8.230 nan 0.000 0.423 218 D N 3.345 123.541 120.400 -0.340 0.000 2.264 218 D HA 0.268 4.909 4.640 0.003 0.000 0.250 218 D C 0.828 177.027 176.300 -0.169 0.000 1.113 218 D CA 0.320 54.127 54.000 -0.322 0.000 0.871 218 D CB 2.246 42.931 40.800 -0.191 0.000 1.167 218 D HN 0.677 nan 8.370 nan 0.000 0.447 219 A N 3.705 126.439 122.820 -0.143 0.000 2.067 219 A HA -0.185 4.137 4.320 0.003 0.000 0.219 219 A C 1.519 179.075 177.584 -0.047 0.000 1.158 219 A CA 1.451 53.435 52.037 -0.088 0.000 0.661 219 A CB -0.331 18.624 19.000 -0.076 0.000 0.801 219 A HN 0.706 nan 8.150 nan 0.000 0.452 220 D N -0.416 119.971 120.400 -0.022 0.000 2.351 220 D HA -0.106 4.536 4.640 0.003 0.000 0.216 220 D C 1.284 177.575 176.300 -0.016 0.000 0.968 220 D CA 1.051 55.060 54.000 0.016 0.000 0.899 220 D CB -0.644 40.221 40.800 0.109 0.000 0.907 220 D HN 0.179 nan 8.370 nan 0.000 0.514 221 V N -0.247 119.648 119.914 -0.032 0.000 2.970 221 V HA 0.073 4.194 4.120 0.003 0.000 0.260 221 V C 0.862 176.938 176.094 -0.030 0.000 1.100 221 V CA 0.374 62.653 62.300 -0.036 0.000 1.122 221 V CB -0.322 31.479 31.823 -0.037 0.000 0.721 221 V HN 0.210 nan 8.190 nan 0.000 0.483 222 L N 1.397 122.604 121.223 -0.026 0.000 2.305 222 L HA 0.310 4.652 4.340 0.003 0.000 0.281 222 L C 0.152 177.023 176.870 0.002 0.000 1.085 222 L CA -0.407 54.426 54.840 -0.011 0.000 0.813 222 L CB 0.834 42.887 42.059 -0.009 0.000 1.157 222 L HN 0.161 nan 8.230 nan 0.000 0.436 223 D N 4.852 125.259 120.400 0.011 0.000 2.583 223 D HA -0.053 4.588 4.640 0.003 0.000 0.232 223 D C -1.632 174.679 176.300 0.017 0.000 1.128 223 D CA -0.655 53.354 54.000 0.014 0.000 0.859 223 D CB 1.036 41.849 40.800 0.021 0.000 1.169 223 D HN 0.248 nan 8.370 nan 0.000 0.481 224 P HA -0.118 nan 4.420 nan 0.000 0.226 224 P C 1.073 178.382 177.300 0.016 0.000 1.146 224 P CA 0.847 63.957 63.100 0.016 0.000 0.773 224 P CB 0.213 31.924 31.700 0.018 0.000 0.772 225 T N -1.111 113.453 114.554 0.017 0.000 2.857 225 T HA -0.041 4.311 4.350 0.003 0.000 0.266 225 T C 1.381 176.091 174.700 0.017 0.000 1.048 225 T CA 0.801 62.910 62.100 0.015 0.000 1.139 225 T CB -0.364 68.513 68.868 0.015 0.000 0.874 225 T HN -0.061 nan 8.240 nan 0.000 0.455 226 L N 0.119 121.359 121.223 0.027 0.000 2.416 226 L HA 0.534 4.875 4.340 0.003 0.000 0.216 226 L C 0.968 177.861 176.870 0.038 0.000 1.098 226 L CA 0.501 55.366 54.840 0.042 0.000 0.840 226 L CB -0.091 42.010 42.059 0.071 0.000 0.981 226 L HN 0.178 nan 8.230 nan 0.000 0.462 227 A N -1.215 121.620 122.820 0.025 0.000 3.409 227 A HA 0.520 4.842 4.320 0.003 0.000 0.282 227 A C -1.911 175.679 177.584 0.010 0.000 1.064 227 A CA -0.631 51.416 52.037 0.016 0.000 0.889 227 A CB 0.089 19.095 19.000 0.010 0.000 1.251 227 A HN 0.069 nan 8.150 nan 0.000 0.538 228 P HA -0.153 nan 4.420 nan 0.000 0.214 228 P C 1.500 178.803 177.300 0.004 0.000 1.163 228 P CA 1.954 65.058 63.100 0.008 0.000 0.889 228 P CB 0.135 31.838 31.700 0.005 0.000 0.790 229 G N 0.131 108.931 108.800 -0.000 0.000 3.106 229 G HA2 0.173 4.134 3.960 0.003 0.000 0.230 229 G HA3 0.173 4.134 3.960 0.003 0.000 0.230 229 G C 0.195 175.088 174.900 -0.012 0.000 0.949 229 G CA 0.143 45.239 45.100 -0.006 0.000 1.827 229 G HN 0.357 nan 8.290 nan 0.000 0.573 230 V N -3.671 116.239 119.914 -0.006 0.000 3.040 230 V HA 0.885 5.006 4.120 0.003 0.000 0.312 230 V C 1.151 177.243 176.094 -0.003 0.000 1.115 230 V CA -0.165 62.129 62.300 -0.010 0.000 0.998 230 V CB 1.421 33.244 31.823 -0.000 0.000 1.042 230 V HN 0.162 nan 8.190 nan 0.000 0.433 231 G N 1.150 109.940 108.800 -0.016 0.000 2.402 231 G HA2 0.058 4.019 3.960 0.003 0.000 0.216 231 G HA3 0.058 4.019 3.960 0.003 0.000 0.216 231 G C 0.640 175.549 174.900 0.015 0.000 1.162 231 G CA 1.225 46.312 45.100 -0.020 0.000 0.777 231 G HN 0.946 nan 8.290 nan 0.000 0.539 232 T N 2.938 117.527 114.554 0.058 0.000 3.390 232 T HA 0.407 4.758 4.350 0.003 0.000 0.351 232 T C -2.585 172.218 174.700 0.172 0.000 1.759 232 T CA -1.052 61.120 62.100 0.119 0.000 1.561 232 T CB 1.857 70.795 68.868 0.117 0.000 1.011 232 T HN 0.120 nan 8.240 nan 0.000 0.689 233 P HA 0.252 nan 4.420 nan 0.000 0.269 233 P C -0.733 176.616 177.300 0.082 0.000 1.211 233 P CA -0.172 62.972 63.100 0.074 0.000 0.781 233 P CB 0.873 32.601 31.700 0.047 0.000 0.877 234 V N 2.029 121.970 119.914 0.045 0.000 2.737 234 V HA 0.240 4.361 4.120 0.003 0.000 0.298 234 V C -2.251 173.852 176.094 0.014 0.000 1.163 234 V CA -1.594 60.725 62.300 0.031 0.000 0.925 234 V CB 1.946 33.765 31.823 -0.007 0.000 1.037 234 V HN 0.571 nan 8.190 nan 0.000 0.433 235 P HA 0.195 nan 4.420 nan 0.000 0.271 235 P C 0.686 177.993 177.300 0.011 0.000 1.233 235 P CA 1.133 64.243 63.100 0.016 0.000 0.789 235 P CB 0.688 32.399 31.700 0.019 0.000 0.951 236 G N -0.126 108.680 108.800 0.011 0.000 2.298 236 G HA2 -0.069 3.893 3.960 0.003 0.000 0.287 236 G HA3 -0.069 3.893 3.960 0.003 0.000 0.287 236 G C 0.480 175.384 174.900 0.006 0.000 1.075 236 G CA -0.116 44.990 45.100 0.010 0.000 0.960 236 G HN 0.864 nan 8.290 nan 0.000 0.502 237 G N -1.334 107.469 108.800 0.005 0.000 2.531 237 G HA2 0.675 4.637 3.960 0.003 0.000 0.281 237 G HA3 0.675 4.637 3.960 0.003 0.000 0.281 237 G C 0.485 175.388 174.900 0.005 0.000 1.382 237 G CA -1.077 44.023 45.100 0.000 0.000 1.045 237 G HN 0.607 nan 8.290 nan 0.000 0.533 238 L N 0.136 121.359 121.223 -0.000 0.000 2.436 238 L HA 0.335 4.676 4.340 0.003 0.000 0.265 238 L C 1.452 178.333 176.870 0.018 0.000 1.168 238 L CA -0.529 54.311 54.840 0.000 0.000 0.815 238 L CB 1.346 43.395 42.059 -0.017 0.000 1.109 238 L HN 0.746 nan 8.230 nan 0.000 0.462 239 T N -1.790 112.781 114.554 0.029 0.000 2.881 239 T HA 0.091 4.442 4.350 0.003 0.000 0.278 239 T C 0.847 175.609 174.700 0.103 0.000 0.982 239 T CA -0.280 61.862 62.100 0.071 0.000 0.989 239 T CB 0.717 69.631 68.868 0.076 0.000 1.058 239 T HN 0.519 nan 8.240 nan 0.000 0.529 240 Y N 1.478 121.800 120.300 0.038 0.000 2.070 240 Y HA -0.119 4.433 4.550 0.003 0.000 0.280 240 Y C 2.836 178.820 175.900 0.141 0.000 1.148 240 Y CA 1.696 59.848 58.100 0.086 0.000 1.125 240 Y CB -0.269 38.243 38.460 0.088 0.000 0.975 240 Y HN 0.645 nan 8.280 nan 0.000 0.492 241 R N 0.317 120.949 120.500 0.219 0.000 2.080 241 R HA -0.200 4.142 4.340 0.003 0.000 0.236 241 R C 2.242 178.558 176.300 0.027 0.000 1.137 241 R CA 2.086 58.249 56.100 0.106 0.000 0.943 241 R CB -0.429 29.947 30.300 0.127 0.000 0.846 241 R HN 0.519 nan 8.270 nan 0.000 0.431 242 E N 0.375 120.588 120.200 0.021 0.000 2.035 242 E HA -0.278 4.073 4.350 0.003 0.000 0.204 242 E C 2.131 178.698 176.600 -0.055 0.000 1.025 242 E CA 1.441 57.834 56.400 -0.013 0.000 0.835 242 E CB -0.307 29.386 29.700 -0.011 0.000 0.764 242 E HN 0.403 nan 8.360 nan 0.000 0.457 243 A N 1.701 124.463 122.820 -0.097 0.000 1.915 243 A HA -0.292 4.029 4.320 0.003 0.000 0.220 243 A C 2.005 179.445 177.584 -0.240 0.000 1.198 243 A CA 2.003 53.931 52.037 -0.182 0.000 0.647 243 A CB -0.965 17.884 19.000 -0.251 0.000 0.825 243 A HN 0.339 nan 8.150 nan 0.000 0.456 244 H N -1.523 117.409 119.070 -0.229 0.000 2.357 244 H HA -0.088 4.469 4.556 0.003 0.000 0.301 244 H C 2.129 177.382 175.328 -0.126 0.000 1.082 244 H CA 1.780 57.697 56.048 -0.219 0.000 1.342 244 H CB -0.364 29.203 29.762 -0.325 0.000 1.389 244 H HN 0.425 nan 8.280 nan 0.000 0.511 245 L N 0.966 122.199 121.223 0.016 0.000 1.994 245 L HA -0.149 4.192 4.340 0.003 0.000 0.208 245 L C 2.473 179.329 176.870 -0.023 0.000 1.071 245 L CA 1.238 56.078 54.840 -0.000 0.000 0.745 245 L CB -1.081 40.974 42.059 -0.006 0.000 0.892 245 L HN 0.141 nan 8.230 nan 0.000 0.431 246 L N -0.787 120.409 121.223 -0.046 0.000 2.013 246 L HA -0.264 4.078 4.340 0.003 0.000 0.212 246 L C 2.364 179.205 176.870 -0.048 0.000 1.073 246 L CA 2.104 56.912 54.840 -0.053 0.000 0.753 246 L CB -0.615 41.404 42.059 -0.067 0.000 0.890 246 L HN 0.302 nan 8.230 nan 0.000 0.432 247 M N -0.842 118.719 119.600 -0.066 0.000 2.159 247 M HA -0.160 4.322 4.480 0.003 0.000 0.263 247 M C 2.141 178.425 176.300 -0.027 0.000 1.063 247 M CA 1.523 56.788 55.300 -0.060 0.000 1.110 247 M CB -1.155 31.385 32.600 -0.100 0.000 1.374 247 M HN 0.413 nan 8.290 nan 0.000 0.411 248 E N 0.337 120.530 120.200 -0.011 0.000 2.046 248 E HA -0.096 4.255 4.350 0.003 0.000 0.190 248 E C 2.126 178.724 176.600 -0.002 0.000 0.982 248 E CA 0.997 57.398 56.400 0.003 0.000 0.800 248 E CB -0.142 29.566 29.700 0.014 0.000 0.756 248 E HN 0.446 nan 8.360 nan 0.000 0.449 249 I N 1.389 121.954 120.570 -0.008 0.000 2.286 249 I HA -0.275 3.896 4.170 0.003 0.000 0.248 249 I C 2.388 178.505 176.117 -0.002 0.000 1.115 249 I CA 1.009 62.304 61.300 -0.008 0.000 1.392 249 I CB -0.205 37.785 38.000 -0.017 0.000 1.065 249 I HN 0.119 nan 8.210 nan 0.000 0.418 250 L N 0.299 121.520 121.223 -0.002 0.000 2.141 250 L HA -0.169 4.173 4.340 0.003 0.000 0.209 250 L C 2.822 179.704 176.870 0.019 0.000 1.094 250 L CA 1.142 55.989 54.840 0.011 0.000 0.763 250 L CB -0.678 41.386 42.059 0.009 0.000 0.908 250 L HN 0.253 nan 8.230 nan 0.000 0.437 251 A N -0.129 122.697 122.820 0.010 0.000 1.873 251 A HA -0.224 4.097 4.320 0.003 0.000 0.215 251 A C 2.125 179.720 177.584 0.018 0.000 1.186 251 A CA 1.386 53.432 52.037 0.014 0.000 0.616 251 A CB -0.465 18.538 19.000 0.004 0.000 0.823 251 A HN 0.367 nan 8.150 nan 0.000 0.442 252 E N 0.188 120.395 120.200 0.011 0.000 2.233 252 E HA -0.210 4.142 4.350 0.003 0.000 0.199 252 E C 2.092 178.701 176.600 0.015 0.000 1.004 252 E CA 1.420 57.825 56.400 0.008 0.000 0.819 252 E CB -0.101 29.600 29.700 0.002 0.000 0.738 252 E HN 0.797 nan 8.360 nan 0.000 0.478 253 S N -1.383 114.330 115.700 0.022 0.000 2.489 253 S HA 0.027 4.499 4.470 0.003 0.000 0.228 253 S C 1.774 176.397 174.600 0.037 0.000 0.995 253 S CA 0.733 58.951 58.200 0.029 0.000 0.934 253 S CB 0.173 63.394 63.200 0.034 0.000 0.771 253 S HN 0.414 nan 8.310 nan 0.000 0.522 254 G N 1.920 110.746 108.800 0.043 0.000 2.205 254 G HA2 -0.336 3.625 3.960 0.003 0.000 0.269 254 G HA3 -0.336 3.625 3.960 0.003 0.000 0.269 254 G C 0.862 175.806 174.900 0.074 0.000 0.977 254 G CA 0.634 45.767 45.100 0.055 0.000 0.652 254 G HN 0.610 nan 8.290 nan 0.000 0.539 255 R N -0.570 119.975 120.500 0.075 0.000 2.359 255 R HA 0.307 4.648 4.340 0.003 0.000 0.231 255 R C 0.462 176.827 176.300 0.109 0.000 0.913 255 R CA 0.002 56.152 56.100 0.083 0.000 1.075 255 R CB 0.847 31.186 30.300 0.067 0.000 1.087 255 R HN 0.306 nan 8.270 nan 0.000 0.515 256 V N 2.960 122.960 119.914 0.142 0.000 2.427 256 V HA -0.008 4.114 4.120 0.003 0.000 0.268 256 V C 1.219 177.508 176.094 0.326 0.000 1.046 256 V CA 0.123 62.539 62.300 0.194 0.000 0.970 256 V CB 1.192 33.134 31.823 0.198 0.000 1.001 256 V HN 0.373 nan 8.190 nan 0.000 0.476 257 Q N 3.667 123.538 119.800 0.119 0.000 2.317 257 Q HA 0.270 4.611 4.340 0.003 0.000 0.220 257 Q C 0.372 175.865 176.000 -0.846 0.000 0.873 257 Q CA 0.190 55.941 55.803 -0.087 0.000 0.936 257 Q CB 0.868 29.580 28.738 -0.043 0.000 1.105 257 Q HN 0.716 nan 8.270 nan 0.000 0.520 258 S N -0.275 114.942 115.700 -0.806 0.000 2.588 258 S HA 0.719 5.191 4.470 0.003 0.000 0.269 258 S C -1.468 172.796 174.600 -0.560 0.000 1.157 258 S CA -0.972 56.654 58.200 -0.956 0.000 0.824 258 S CB 1.891 64.943 63.200 -0.246 0.000 1.126 258 S HN 0.285 nan 8.310 nan 0.000 0.464 259 L N 0.471 121.469 121.223 -0.376 0.000 2.505 259 L HA 0.743 5.084 4.340 0.003 0.000 0.259 259 L C -2.326 174.453 176.870 -0.152 0.000 0.952 259 L CA -0.218 54.469 54.840 -0.256 0.000 0.840 259 L CB 2.167 44.268 42.059 0.071 0.000 1.358 259 L HN 0.816 nan 8.230 nan 0.000 0.409 260 D N 4.843 125.138 120.400 -0.175 0.000 2.505 260 D HA 0.533 5.174 4.640 0.003 0.000 0.249 260 D C -0.938 175.276 176.300 -0.143 0.000 1.082 260 D CA 0.103 54.051 54.000 -0.086 0.000 0.839 260 D CB 2.633 43.416 40.800 -0.029 0.000 1.317 260 D HN 0.468 nan 8.370 nan 0.000 0.497 261 L N 2.181 123.331 121.223 -0.123 0.000 2.337 261 L HA 0.400 4.741 4.340 0.003 0.000 0.269 261 L C 0.102 176.877 176.870 -0.159 0.000 1.018 261 L CA -0.849 53.907 54.840 -0.139 0.000 0.876 261 L CB 1.192 43.193 42.059 -0.096 0.000 1.236 261 L HN 0.177 nan 8.230 nan 0.000 0.436 262 V N -1.072 118.698 119.914 -0.240 0.000 3.181 262 V HA 0.620 4.742 4.120 0.003 0.000 0.314 262 V C 0.554 176.510 176.094 -0.230 0.000 1.173 262 V CA -0.592 61.554 62.300 -0.258 0.000 1.052 262 V CB 1.863 33.438 31.823 -0.413 0.000 1.123 262 V HN 0.738 nan 8.190 nan 0.000 0.454 263 E N -1.414 118.671 120.200 -0.191 0.000 3.547 263 E HA -0.181 4.170 4.350 0.003 0.000 0.300 263 E C 0.232 176.774 176.600 -0.097 0.000 0.857 263 E CA 1.079 57.394 56.400 -0.142 0.000 1.039 263 E CB -1.724 27.887 29.700 -0.149 0.000 1.524 263 E HN 0.712 nan 8.360 nan 0.000 0.457 264 V N 1.928 121.789 119.914 -0.088 0.000 2.493 264 V HA 0.042 4.163 4.120 0.003 0.000 0.292 264 V C 0.679 176.747 176.094 -0.044 0.000 1.016 264 V CA 0.467 62.733 62.300 -0.058 0.000 1.097 264 V CB 0.744 32.539 31.823 -0.047 0.000 0.947 264 V HN 0.175 nan 8.190 nan 0.000 0.479 265 N N 7.634 126.313 118.700 -0.034 0.000 2.623 265 N HA 0.387 5.129 4.740 0.003 0.000 0.256 265 N C -1.353 174.146 175.510 -0.018 0.000 1.045 265 N CA -2.063 50.970 53.050 -0.028 0.000 0.863 265 N CB 2.009 40.478 38.487 -0.031 0.000 1.182 265 N HN 0.237 nan 8.380 nan 0.000 0.523 266 P HA -0.102 nan 4.420 nan 0.000 0.223 266 P C 1.224 178.514 177.300 -0.016 0.000 1.144 266 P CA 0.781 63.873 63.100 -0.014 0.000 0.783 266 P CB 0.572 32.264 31.700 -0.013 0.000 0.771 267 I N -1.068 119.493 120.570 -0.016 0.000 3.001 267 I HA -0.086 4.086 4.170 0.003 0.000 0.268 267 I C 1.862 177.972 176.117 -0.010 0.000 1.267 267 I CA 1.025 62.317 61.300 -0.014 0.000 1.472 267 I CB -0.100 37.893 38.000 -0.013 0.000 1.089 267 I HN -0.136 nan 8.210 nan 0.000 0.468 268 L N -1.070 120.147 121.223 -0.009 0.000 3.069 268 L HA 0.264 4.605 4.340 0.003 0.000 0.271 268 L C 0.082 176.949 176.870 -0.005 0.000 1.201 268 L CA -0.253 54.584 54.840 -0.005 0.000 1.015 268 L CB 0.121 42.178 42.059 -0.003 0.000 1.371 268 L HN 0.018 nan 8.230 nan 0.000 0.574 269 D N 0.941 121.337 120.400 -0.007 0.000 2.478 269 D HA 0.294 4.935 4.640 0.003 0.000 0.263 269 D C -0.416 175.880 176.300 -0.007 0.000 1.153 269 D CA -0.171 53.826 54.000 -0.006 0.000 1.038 269 D CB 1.118 41.914 40.800 -0.006 0.000 1.120 269 D HN 0.027 nan 8.370 nan 0.000 0.564 270 E N 0.795 120.992 120.200 -0.005 0.000 2.220 270 E HA 0.343 4.695 4.350 0.003 0.000 0.256 270 E C -0.314 176.281 176.600 -0.007 0.000 0.881 270 E CA -0.538 55.858 56.400 -0.007 0.000 0.766 270 E CB 1.682 31.379 29.700 -0.005 0.000 1.187 270 E HN 0.370 nan 8.360 nan 0.000 0.419 271 R N 2.335 122.828 120.500 -0.012 0.000 3.741 271 R HA -0.278 4.063 4.340 0.003 0.000 0.292 271 R C 0.017 176.314 176.300 -0.006 0.000 1.176 271 R CA 0.690 56.782 56.100 -0.012 0.000 0.794 271 R CB -1.472 28.822 30.300 -0.010 0.000 1.213 271 R HN 0.796 nan 8.270 nan 0.000 0.494 272 N N -0.403 118.294 118.700 -0.005 0.000 2.776 272 N HA -0.197 4.544 4.740 0.003 0.000 0.250 272 N C 1.000 176.517 175.510 0.013 0.000 1.112 272 N CA 1.698 54.751 53.050 0.004 0.000 0.733 272 N CB -0.462 38.031 38.487 0.010 0.000 1.097 272 N HN 0.702 nan 8.380 nan 0.000 0.558 273 R N -2.291 118.216 120.500 0.012 0.000 2.152 273 R HA -0.016 4.326 4.340 0.003 0.000 0.232 273 R C 1.481 177.798 176.300 0.027 0.000 1.117 273 R CA 1.704 57.817 56.100 0.021 0.000 0.981 273 R CB -0.701 29.610 30.300 0.018 0.000 0.870 273 R HN 0.224 nan 8.270 nan 0.000 0.451 274 T N 1.590 116.153 114.554 0.015 0.000 2.737 274 T HA -0.061 4.290 4.350 0.003 0.000 0.265 274 T C 2.240 176.942 174.700 0.003 0.000 1.038 274 T CA 1.385 63.490 62.100 0.008 0.000 1.144 274 T CB -0.297 68.569 68.868 -0.004 0.000 0.866 274 T HN 0.440 nan 8.240 nan 0.000 0.434 275 A N 1.474 124.297 122.820 0.005 0.000 1.933 275 A HA -0.147 4.175 4.320 0.003 0.000 0.218 275 A C 2.230 179.823 177.584 0.015 0.000 1.175 275 A CA 1.794 53.834 52.037 0.006 0.000 0.628 275 A CB -0.655 18.357 19.000 0.020 0.000 0.814 275 A HN 0.557 nan 8.150 nan 0.000 0.444 276 E N -0.946 119.272 120.200 0.030 0.000 2.110 276 E HA -0.129 4.222 4.350 0.003 0.000 0.193 276 E C 2.107 178.742 176.600 0.059 0.000 0.988 276 E CA 1.208 57.635 56.400 0.044 0.000 0.804 276 E CB -0.158 29.571 29.700 0.048 0.000 0.745 276 E HN 0.598 nan 8.360 nan 0.000 0.458 277 M N -0.201 119.436 119.600 0.061 0.000 2.175 277 M HA -0.139 4.342 4.480 0.003 0.000 0.264 277 M C 1.943 178.242 176.300 -0.003 0.000 1.063 277 M CA 0.859 56.207 55.300 0.080 0.000 1.119 277 M CB -0.065 32.588 32.600 0.088 0.000 1.377 277 M HN 0.175 nan 8.290 nan 0.000 0.415 278 L N -0.500 120.706 121.223 -0.029 0.000 2.044 278 L HA -0.097 4.245 4.340 0.003 0.000 0.205 278 L C 2.366 179.197 176.870 -0.064 0.000 1.075 278 L CA 1.229 56.026 54.840 -0.071 0.000 0.747 278 L CB -0.912 41.103 42.059 -0.072 0.000 0.903 278 L HN 0.018 nan 8.230 nan 0.000 0.435 279 V N -0.136 119.759 119.914 -0.031 0.000 2.380 279 V HA -0.283 3.839 4.120 0.003 0.000 0.251 279 V C 2.521 178.607 176.094 -0.014 0.000 1.063 279 V CA 1.888 64.173 62.300 -0.024 0.000 1.055 279 V CB -1.471 30.350 31.823 -0.003 0.000 0.657 279 V HN 0.602 nan 8.190 nan 0.000 0.455 280 G N -0.179 108.631 108.800 0.016 0.000 2.459 280 G HA2 -0.233 3.729 3.960 0.003 0.000 0.217 280 G HA3 -0.233 3.729 3.960 0.003 0.000 0.217 280 G C 1.560 176.457 174.900 -0.005 0.000 1.183 280 G CA 1.083 46.226 45.100 0.072 0.000 0.776 280 G HN 0.476 nan 8.290 nan 0.000 0.552 281 L N 0.917 122.037 121.223 -0.172 0.000 2.079 281 L HA -0.090 4.251 4.340 0.003 0.000 0.210 281 L C 3.430 180.211 176.870 -0.148 0.000 1.081 281 L CA 1.011 55.684 54.840 -0.278 0.000 0.752 281 L CB -0.456 41.410 42.059 -0.321 0.000 0.896 281 L HN 0.310 nan 8.230 nan 0.000 0.433 282 A N 0.496 123.248 122.820 -0.112 0.000 1.873 282 A HA -0.221 4.100 4.320 0.003 0.000 0.218 282 A C 2.250 179.767 177.584 -0.112 0.000 1.193 282 A CA 1.803 53.774 52.037 -0.110 0.000 0.629 282 A CB -0.902 18.040 19.000 -0.098 0.000 0.826 282 A HN 0.378 nan 8.150 nan 0.000 0.447 283 L N -0.724 120.459 121.223 -0.067 0.000 2.081 283 L HA -0.212 4.130 4.340 0.003 0.000 0.212 283 L C 2.829 179.693 176.870 -0.010 0.000 1.080 283 L CA 1.653 56.474 54.840 -0.033 0.000 0.754 283 L CB -0.630 41.439 42.059 0.017 0.000 0.893 283 L HN 0.372 nan 8.230 nan 0.000 0.433 284 S N -0.251 115.453 115.700 0.007 0.000 2.387 284 S HA -0.104 4.368 4.470 0.003 0.000 0.226 284 S C 1.802 176.391 174.600 -0.019 0.000 1.026 284 S CA 0.830 59.047 58.200 0.028 0.000 0.972 284 S CB -0.140 63.113 63.200 0.089 0.000 0.814 284 S HN 0.237 nan 8.310 nan 0.000 0.477 285 L N 0.985 122.169 121.223 -0.064 0.000 2.141 285 L HA 0.139 4.481 4.340 0.003 0.000 0.209 285 L C 1.231 178.039 176.870 -0.103 0.000 1.094 285 L CA 1.532 56.328 54.840 -0.073 0.000 0.763 285 L CB -0.422 41.588 42.059 -0.082 0.000 0.908 285 L HN 0.216 nan 8.230 nan 0.000 0.437 286 L N -0.113 121.017 121.223 -0.155 0.000 2.645 286 L HA 0.334 4.676 4.340 0.003 0.000 0.234 286 L C 1.471 178.371 176.870 0.049 0.000 1.165 286 L CA 0.876 55.600 54.840 -0.193 0.000 0.944 286 L CB -0.310 41.472 42.059 -0.461 0.000 1.149 286 L HN 0.451 nan 8.230 nan 0.000 0.446 287 G N -1.460 107.359 108.800 0.032 0.000 2.278 287 G HA2 -0.274 3.688 3.960 0.003 0.000 0.210 287 G HA3 -0.274 3.688 3.960 0.003 0.000 0.210 287 G C 0.621 175.549 174.900 0.047 0.000 1.000 287 G CA -0.078 45.056 45.100 0.055 0.000 0.635 287 G HN 0.289 nan 8.290 nan 0.000 0.495 288 K N 1.243 121.675 120.400 0.054 0.000 2.489 288 K HA 0.429 4.751 4.320 0.003 0.000 0.278 288 K C 0.265 176.890 176.600 0.042 0.000 1.000 288 K CA 0.381 56.696 56.287 0.048 0.000 1.012 288 K CB 0.151 32.680 32.500 0.049 0.000 0.903 288 K HN 0.415 nan 8.250 nan 0.000 0.485 289 R N 3.552 124.079 120.500 0.044 0.000 2.725 289 R HA 0.222 4.564 4.340 0.003 0.000 0.277 289 R C 0.686 177.025 176.300 0.065 0.000 0.987 289 R CA -0.832 55.299 56.100 0.053 0.000 0.901 289 R CB 0.897 31.233 30.300 0.061 0.000 1.207 289 R HN 0.535 nan 8.270 nan 0.000 0.463 290 I N 1.120 121.731 120.570 0.068 0.000 2.208 290 I HA -0.155 4.017 4.170 0.003 0.000 0.245 290 I C 0.795 176.980 176.117 0.114 0.000 1.097 290 I CA 1.766 63.105 61.300 0.065 0.000 1.363 290 I CB -0.037 38.003 38.000 0.067 0.000 1.051 290 I HN 0.384 nan 8.210 nan 0.000 0.413 291 F N 0.000 119.943 119.950 -0.012 0.000 2.286 291 F HA 0.000 4.529 4.527 0.003 0.000 0.279 291 F CA 0.000 57.993 58.000 -0.011 0.000 1.383 291 F CB 0.000 38.994 39.000 -0.010 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574