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 1re5_1_D DATA FIRST_RESID 3 DATA SEQUENCE NQLFDAYFTA PAMREIFSDR GRLQGMLDFE AALARAEASA GLVPHSAVAA DATA SEQUENCE IEAACQAERY DTGALANAIA TAGNSAIPLV KALGKVIATG VPEAERYVHL DATA SEQUENCE GATSQDAMDT GLVLQLRDAL DLIEADLGKL ADTLSQQALK HADTPLVGRT DATA SEQUENCE WLQHATPVTL GMKLAGVLGA LTRHRQRLQE LRPRLLVLQF GGASGSLAAL DATA SEQUENCE GSKAMPVAEA LAEQLKLTLP EQPWHTQRDR LVEFASVLGL VAGSLGKFGR DATA SEQUENCE DISLLMQTEA GEVFEPSAPG KGGSSTMPHK RNPVGAAVLI GAATRVPGLL DATA SEQUENCE STLFAAMPQE HERSLGLWHA EWETLPDICC LVSGALRQAQ VIAEGMEVDA DATA SEQUENCE ARMRRNLDLT QGLVLAEAVS IVLAQRLGRD RAHHLLEQCC QRAVAEQRHL DATA SEQUENCE RAVLGDEPQV SAELSGEELD RLLDPAHYLG QARVWVARAV SEHQRFTA 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.544 175.510 0.057 0.000 1.280 3 N CA 0.000 53.080 53.050 0.051 0.000 0.885 3 N CB 0.000 38.536 38.487 0.082 0.000 1.341 4 Q N 0.389 120.202 119.800 0.020 0.000 2.127 4 Q HA 0.345 4.686 4.340 0.001 0.000 0.222 4 Q C 0.443 176.423 176.000 -0.033 0.000 0.794 4 Q CA -0.300 55.517 55.803 0.023 0.000 1.010 4 Q CB 0.465 29.215 28.738 0.021 0.000 1.170 4 Q HN 0.394 nan 8.270 nan 0.000 0.479 5 L N 0.196 121.345 121.223 -0.123 0.000 1.971 5 L HA -0.104 4.237 4.340 0.001 0.000 0.215 5 L C 1.401 178.063 176.870 -0.346 0.000 1.072 5 L CA 1.867 56.516 54.840 -0.319 0.000 0.758 5 L CB -0.176 41.537 42.059 -0.577 0.000 0.889 5 L HN 0.290 nan 8.230 nan 0.000 0.433 6 F N -1.257 118.680 119.950 -0.021 0.000 2.797 6 F HA -0.055 4.473 4.527 0.001 0.000 0.302 6 F C 1.780 177.528 175.800 -0.087 0.000 1.130 6 F CA -0.079 57.841 58.000 -0.133 0.000 1.387 6 F CB -0.079 38.843 39.000 -0.130 0.000 1.107 6 F HN 0.108 nan 8.300 nan 0.000 0.577 7 D N 0.663 121.157 120.400 0.157 0.000 2.219 7 D HA -0.123 4.518 4.640 0.001 0.000 0.205 7 D C 2.259 178.638 176.300 0.132 0.000 0.970 7 D CA 1.105 55.204 54.000 0.165 0.000 0.851 7 D CB 0.136 41.013 40.800 0.129 0.000 0.943 7 D HN 0.191 nan 8.370 nan 0.000 0.488 8 A N -0.800 122.075 122.820 0.091 0.000 1.970 8 A HA -0.124 4.197 4.320 0.001 0.000 0.216 8 A C 1.956 179.625 177.584 0.143 0.000 1.170 8 A CA 0.780 52.873 52.037 0.092 0.000 0.645 8 A CB -0.763 18.268 19.000 0.052 0.000 0.816 8 A HN 0.404 nan 8.150 nan 0.000 0.447 9 Y N -0.855 119.404 120.300 -0.069 0.000 2.286 9 Y HA 0.048 4.598 4.550 0.001 0.000 0.293 9 Y C 1.533 177.421 175.900 -0.019 0.000 1.124 9 Y CA 0.724 58.746 58.100 -0.130 0.000 1.178 9 Y CB -0.287 37.979 38.460 -0.324 0.000 1.010 9 Y HN 0.331 nan 8.280 nan 0.000 0.536 10 F N -1.073 118.922 119.950 0.074 0.000 2.714 10 F HA 0.149 4.676 4.527 0.001 0.000 0.294 10 F C 0.513 176.307 175.800 -0.010 0.000 1.120 10 F CA 0.055 58.016 58.000 -0.066 0.000 1.398 10 F CB 0.317 39.296 39.000 -0.034 0.000 1.120 10 F HN -0.235 nan 8.300 nan 0.000 0.589 11 T N 0.351 115.033 114.554 0.214 0.000 2.887 11 T HA 0.631 4.981 4.350 0.001 0.000 0.288 11 T C -0.416 174.359 174.700 0.125 0.000 1.021 11 T CA -0.685 61.507 62.100 0.153 0.000 1.000 11 T CB 1.961 70.921 68.868 0.153 0.000 1.034 11 T HN 0.023 nan 8.240 nan 0.000 0.467 12 A N 4.011 126.898 122.820 0.111 0.000 2.309 12 A HA 0.531 4.852 4.320 0.001 0.000 0.290 12 A C -0.957 176.686 177.584 0.099 0.000 1.206 12 A CA -1.540 50.556 52.037 0.099 0.000 0.850 12 A CB 0.093 19.149 19.000 0.092 0.000 1.118 12 A HN 0.590 nan 8.150 nan 0.000 0.523 13 P HA -0.324 nan 4.420 nan 0.000 0.218 13 P C 1.472 178.815 177.300 0.073 0.000 1.154 13 P CA 2.489 65.635 63.100 0.076 0.000 0.872 13 P CB 0.135 31.872 31.700 0.062 0.000 0.790 14 A N -0.861 122.001 122.820 0.069 0.000 1.933 14 A HA -0.166 4.155 4.320 0.001 0.000 0.218 14 A C 2.379 180.007 177.584 0.072 0.000 1.175 14 A CA 2.294 54.367 52.037 0.060 0.000 0.628 14 A CB -1.309 17.725 19.000 0.057 0.000 0.814 14 A HN 0.161 nan 8.150 nan 0.000 0.444 15 M N -0.776 118.889 119.600 0.108 0.000 2.132 15 M HA -0.027 4.453 4.480 0.001 0.000 0.263 15 M C 2.034 178.455 176.300 0.202 0.000 1.065 15 M CA 1.813 57.213 55.300 0.167 0.000 1.122 15 M CB -0.281 32.437 32.600 0.196 0.000 1.365 15 M HN 0.357 nan 8.290 nan 0.000 0.411 16 R N -0.098 120.499 120.500 0.162 0.000 2.120 16 R HA -0.170 4.171 4.340 0.001 0.000 0.234 16 R C 1.969 178.340 176.300 0.118 0.000 1.123 16 R CA 1.752 57.950 56.100 0.163 0.000 0.975 16 R CB -0.418 29.956 30.300 0.124 0.000 0.866 16 R HN 0.406 nan 8.270 nan 0.000 0.446 17 E N 0.415 120.657 120.200 0.071 0.000 2.077 17 E HA -0.128 4.222 4.350 0.001 0.000 0.193 17 E C 1.744 178.331 176.600 -0.023 0.000 0.989 17 E CA 1.701 58.118 56.400 0.029 0.000 0.800 17 E CB -0.208 29.504 29.700 0.019 0.000 0.746 17 E HN 0.467 nan 8.360 nan 0.000 0.452 18 I N -0.605 119.919 120.570 -0.075 0.000 2.226 18 I HA -0.204 3.967 4.170 0.001 0.000 0.245 18 I C 0.426 176.291 176.117 -0.419 0.000 1.100 18 I CA 0.715 61.845 61.300 -0.282 0.000 1.374 18 I CB -0.101 37.647 38.000 -0.422 0.000 1.057 18 I HN 0.001 nan 8.210 nan 0.000 0.413 19 F N 1.737 121.714 119.950 0.045 0.000 2.508 19 F HA 0.221 4.748 4.527 0.001 0.000 0.329 19 F C 0.690 176.513 175.800 0.039 0.000 1.198 19 F CA -0.512 57.514 58.000 0.043 0.000 1.268 19 F CB -0.069 38.965 39.000 0.055 0.000 1.584 19 F HN -0.074 nan 8.300 nan 0.000 0.570 20 S N -1.958 113.810 115.700 0.113 0.000 2.704 20 S HA 0.397 4.868 4.470 0.001 0.000 0.296 20 S C 0.652 175.286 174.600 0.057 0.000 1.138 20 S CA -0.928 57.324 58.200 0.086 0.000 0.875 20 S CB 1.822 65.055 63.200 0.055 0.000 1.151 20 S HN 0.176 nan 8.310 nan 0.000 0.500 21 D N 0.636 121.065 120.400 0.047 0.000 2.123 21 D HA -0.125 4.515 4.640 0.001 0.000 0.196 21 D C 1.907 178.215 176.300 0.014 0.000 0.992 21 D CA 1.003 55.020 54.000 0.028 0.000 0.833 21 D CB -0.224 40.593 40.800 0.028 0.000 0.954 21 D HN 0.515 nan 8.370 nan 0.000 0.455 22 R N 0.872 121.384 120.500 0.020 0.000 2.083 22 R HA -0.128 4.212 4.340 0.001 0.000 0.237 22 R C 2.282 178.579 176.300 -0.005 0.000 1.137 22 R CA 1.766 57.876 56.100 0.016 0.000 0.951 22 R CB -0.690 29.622 30.300 0.020 0.000 0.851 22 R HN 0.195 nan 8.270 nan 0.000 0.434 23 G N 0.544 109.331 108.800 -0.021 0.000 2.422 23 G HA2 -0.289 3.672 3.960 0.001 0.000 0.218 23 G HA3 -0.289 3.672 3.960 0.001 0.000 0.218 23 G C 1.613 176.475 174.900 -0.064 0.000 1.146 23 G CA 0.711 45.773 45.100 -0.063 0.000 0.769 23 G HN 0.353 nan 8.290 nan 0.000 0.547 24 R N -0.667 119.811 120.500 -0.037 0.000 2.070 24 R HA -0.006 4.334 4.340 0.001 0.000 0.233 24 R C 2.435 178.702 176.300 -0.055 0.000 1.137 24 R CA 1.010 57.087 56.100 -0.037 0.000 0.945 24 R CB -0.401 29.886 30.300 -0.021 0.000 0.845 24 R HN 0.252 nan 8.270 nan 0.000 0.430 25 L N 1.168 122.360 121.223 -0.051 0.000 1.989 25 L HA -0.195 4.146 4.340 0.001 0.000 0.211 25 L C 2.529 179.370 176.870 -0.048 0.000 1.071 25 L CA 1.797 56.596 54.840 -0.068 0.000 0.749 25 L CB -1.174 40.855 42.059 -0.050 0.000 0.890 25 L HN 0.272 nan 8.230 nan 0.000 0.431 26 Q N -0.452 119.335 119.800 -0.021 0.000 2.112 26 Q HA -0.145 4.195 4.340 0.001 0.000 0.206 26 Q C 2.164 178.163 176.000 -0.002 0.000 0.987 26 Q CA 1.898 57.698 55.803 -0.004 0.000 0.858 26 Q CB -0.831 27.906 28.738 -0.003 0.000 0.905 26 Q HN 0.495 nan 8.270 nan 0.000 0.420 27 G N -0.068 108.722 108.800 -0.016 0.000 2.446 27 G HA2 -0.284 3.677 3.960 0.001 0.000 0.217 27 G HA3 -0.284 3.677 3.960 0.001 0.000 0.217 27 G C 1.376 176.299 174.900 0.038 0.000 1.168 27 G CA 1.171 46.270 45.100 -0.001 0.000 0.771 27 G HN 0.384 nan 8.290 nan 0.000 0.551 28 M N -0.154 119.454 119.600 0.013 0.000 2.132 28 M HA 0.100 4.580 4.480 0.001 0.000 0.263 28 M C 2.618 178.991 176.300 0.122 0.000 1.065 28 M CA 0.944 56.277 55.300 0.055 0.000 1.122 28 M CB -0.384 32.201 32.600 -0.024 0.000 1.365 28 M HN 0.140 nan 8.290 nan 0.000 0.411 29 L N -0.082 121.166 121.223 0.041 0.000 2.046 29 L HA -0.244 4.097 4.340 0.001 0.000 0.208 29 L C 1.874 178.782 176.870 0.063 0.000 1.077 29 L CA 1.098 55.962 54.840 0.040 0.000 0.747 29 L CB -0.852 41.215 42.059 0.014 0.000 0.896 29 L HN 0.251 nan 8.230 nan 0.000 0.432 30 D N -0.304 120.134 120.400 0.064 0.000 2.149 30 D HA -0.235 4.405 4.640 0.001 0.000 0.198 30 D C 1.823 178.160 176.300 0.062 0.000 0.990 30 D CA 1.183 55.212 54.000 0.050 0.000 0.839 30 D CB -0.184 40.644 40.800 0.047 0.000 0.948 30 D HN 0.235 nan 8.370 nan 0.000 0.460 31 F N 1.751 121.688 119.950 -0.021 0.000 2.113 31 F HA -0.149 4.379 4.527 0.001 0.000 0.297 31 F C 2.097 177.881 175.800 -0.026 0.000 1.103 31 F CA 1.218 59.202 58.000 -0.027 0.000 1.248 31 F CB -0.033 38.962 39.000 -0.008 0.000 0.999 31 F HN -0.204 nan 8.300 nan 0.000 0.475 32 E N 0.969 121.144 120.200 -0.041 0.000 2.058 32 E HA -0.242 4.109 4.350 0.001 0.000 0.194 32 E C 2.449 178.948 176.600 -0.170 0.000 0.997 32 E CA 1.381 57.712 56.400 -0.115 0.000 0.801 32 E CB -1.170 28.572 29.700 0.071 0.000 0.746 32 E HN 0.508 nan 8.360 nan 0.000 0.450 33 A N 1.662 124.425 122.820 -0.095 0.000 1.865 33 A HA -0.133 4.188 4.320 0.001 0.000 0.217 33 A C 2.481 179.976 177.584 -0.147 0.000 1.191 33 A CA 2.541 54.527 52.037 -0.085 0.000 0.623 33 A CB -0.846 18.130 19.000 -0.039 0.000 0.826 33 A HN 0.287 nan 8.150 nan 0.000 0.444 34 A N -0.566 122.144 122.820 -0.183 0.000 1.978 34 A HA -0.107 4.214 4.320 0.001 0.000 0.220 34 A C 2.206 179.600 177.584 -0.317 0.000 1.170 34 A CA 1.568 53.475 52.037 -0.216 0.000 0.636 34 A CB -0.587 18.294 19.000 -0.199 0.000 0.810 34 A HN 0.537 nan 8.150 nan 0.000 0.448 35 L N -0.858 120.082 121.223 -0.473 0.000 1.994 35 L HA -0.206 4.134 4.340 0.001 0.000 0.208 35 L C 3.022 179.724 176.870 -0.280 0.000 1.071 35 L CA 1.657 56.194 54.840 -0.504 0.000 0.745 35 L CB -0.683 40.998 42.059 -0.629 0.000 0.892 35 L HN 0.456 nan 8.230 nan 0.000 0.431 36 A N -0.186 122.511 122.820 -0.205 0.000 1.892 36 A HA -0.305 4.015 4.320 0.001 0.000 0.218 36 A C 2.351 179.837 177.584 -0.163 0.000 1.188 36 A CA 2.057 54.009 52.037 -0.142 0.000 0.631 36 A CB -0.714 18.227 19.000 -0.099 0.000 0.822 36 A HN 0.433 nan 8.150 nan 0.000 0.447 37 R N -0.750 119.658 120.500 -0.154 0.000 2.083 37 R HA -0.163 4.178 4.340 0.001 0.000 0.237 37 R C 2.379 178.595 176.300 -0.139 0.000 1.137 37 R CA 1.569 57.590 56.100 -0.132 0.000 0.951 37 R CB -0.396 29.841 30.300 -0.105 0.000 0.851 37 R HN 0.504 nan 8.270 nan 0.000 0.434 38 A N 0.586 123.309 122.820 -0.161 0.000 1.969 38 A HA -0.142 4.178 4.320 0.001 0.000 0.218 38 A C 1.772 179.279 177.584 -0.128 0.000 1.169 38 A CA 1.361 53.309 52.037 -0.148 0.000 0.635 38 A CB -0.247 18.632 19.000 -0.202 0.000 0.810 38 A HN 0.445 nan 8.150 nan 0.000 0.445 39 E N -0.252 119.865 120.200 -0.138 0.000 2.216 39 E HA 0.043 4.394 4.350 0.001 0.000 0.192 39 E C 2.222 178.744 176.600 -0.130 0.000 0.988 39 E CA 0.570 56.911 56.400 -0.098 0.000 0.834 39 E CB -0.194 29.467 29.700 -0.065 0.000 0.772 39 E HN 0.610 nan 8.360 nan 0.000 0.479 40 A N 1.757 124.455 122.820 -0.205 0.000 1.877 40 A HA -0.174 4.146 4.320 0.001 0.000 0.216 40 A C 2.298 179.732 177.584 -0.251 0.000 1.186 40 A CA 1.754 53.582 52.037 -0.347 0.000 0.620 40 A CB -0.569 18.106 19.000 -0.542 0.000 0.822 40 A HN 0.299 nan 8.150 nan 0.000 0.443 41 S N -0.799 114.822 115.700 -0.133 0.000 2.603 41 S HA 0.352 4.823 4.470 0.001 0.000 0.229 41 S C 1.217 175.804 174.600 -0.021 0.000 0.972 41 S CA 0.795 58.980 58.200 -0.025 0.000 0.935 41 S CB -0.118 63.077 63.200 -0.007 0.000 0.769 41 S HN 0.894 nan 8.310 nan 0.000 0.536 42 A N 0.292 123.086 122.820 -0.043 0.000 2.431 42 A HA 0.683 5.003 4.320 0.001 0.000 0.239 42 A C 1.420 178.994 177.584 -0.016 0.000 1.230 42 A CA 0.129 52.154 52.037 -0.020 0.000 0.928 42 A CB -0.352 18.638 19.000 -0.016 0.000 1.006 42 A HN 1.425 nan 8.150 nan 0.000 0.520 43 G N -0.626 108.152 108.800 -0.037 0.000 2.171 43 G HA2 -0.168 3.792 3.960 0.001 0.000 0.238 43 G HA3 -0.168 3.792 3.960 0.001 0.000 0.238 43 G C 0.421 175.304 174.900 -0.028 0.000 1.039 43 G CA 0.353 45.435 45.100 -0.030 0.000 0.759 43 G HN 0.354 nan 8.290 nan 0.000 0.501 44 L N -1.049 120.146 121.223 -0.047 0.000 2.672 44 L HA 0.394 4.735 4.340 0.001 0.000 0.236 44 L C 0.804 177.659 176.870 -0.024 0.000 1.092 44 L CA 0.809 55.649 54.840 0.001 0.000 0.887 44 L CB 0.719 42.793 42.059 0.025 0.000 1.168 44 L HN 0.174 nan 8.230 nan 0.000 0.502 45 V N 1.687 121.486 119.914 -0.191 0.000 2.686 45 V HA 0.359 4.479 4.120 0.001 0.000 0.306 45 V C -2.338 173.450 176.094 -0.509 0.000 1.065 45 V CA -1.292 60.728 62.300 -0.466 0.000 0.894 45 V CB 2.558 34.146 31.823 -0.391 0.000 1.004 45 V HN 0.018 nan 8.190 nan 0.000 0.424 46 P HA 0.114 nan 4.420 nan 0.000 0.267 46 P C 0.660 177.788 177.300 -0.286 0.000 1.209 46 P CA 0.190 63.089 63.100 -0.335 0.000 0.763 46 P CB 0.472 32.007 31.700 -0.276 0.000 0.816 47 H N 2.032 121.016 119.070 -0.143 0.000 2.466 47 H HA -0.128 4.429 4.556 0.001 0.000 0.297 47 H C 1.913 177.187 175.328 -0.090 0.000 1.113 47 H CA 2.205 58.190 56.048 -0.105 0.000 1.273 47 H CB -0.317 29.401 29.762 -0.074 0.000 1.371 47 H HN 0.532 nan 8.280 nan 0.000 0.528 48 S N 0.251 115.958 115.700 0.011 0.000 2.402 48 S HA -0.001 4.469 4.470 0.001 0.000 0.229 48 S C 2.424 177.007 174.600 -0.029 0.000 1.021 48 S CA 0.616 58.814 58.200 -0.002 0.000 0.974 48 S CB -0.139 63.060 63.200 -0.001 0.000 0.800 48 S HN 0.440 nan 8.310 nan 0.000 0.484 49 A N 1.681 124.448 122.820 -0.089 0.000 1.930 49 A HA 0.180 4.501 4.320 0.001 0.000 0.215 49 A C 2.347 179.894 177.584 -0.062 0.000 1.176 49 A CA 1.173 53.164 52.037 -0.077 0.000 0.632 49 A CB -1.010 17.878 19.000 -0.187 0.000 0.819 49 A HN 0.396 nan 8.150 nan 0.000 0.445 50 V N 0.211 120.064 119.914 -0.101 0.000 2.324 50 V HA -0.328 3.793 4.120 0.001 0.000 0.250 50 V C 3.034 179.109 176.094 -0.030 0.000 1.060 50 V CA 2.152 64.406 62.300 -0.078 0.000 1.042 50 V CB -1.324 30.444 31.823 -0.092 0.000 0.650 50 V HN 0.605 nan 8.190 nan 0.000 0.450 51 A N -0.225 122.587 122.820 -0.013 0.000 1.898 51 A HA -0.047 4.274 4.320 0.001 0.000 0.216 51 A C 2.430 180.017 177.584 0.005 0.000 1.181 51 A CA 1.978 54.015 52.037 0.000 0.000 0.620 51 A CB -0.746 18.258 19.000 0.006 0.000 0.819 51 A HN 0.579 nan 8.150 nan 0.000 0.442 52 A N 0.108 122.932 122.820 0.007 0.000 1.877 52 A HA -0.094 4.227 4.320 0.001 0.000 0.216 52 A C 2.133 179.734 177.584 0.028 0.000 1.186 52 A CA 1.552 53.600 52.037 0.019 0.000 0.620 52 A CB -0.628 18.389 19.000 0.029 0.000 0.822 52 A HN 0.491 nan 8.150 nan 0.000 0.443 53 I N -0.345 120.241 120.570 0.026 0.000 2.142 53 I HA -0.287 3.883 4.170 0.001 0.000 0.240 53 I C 2.506 178.642 176.117 0.033 0.000 1.078 53 I CA 1.808 63.130 61.300 0.036 0.000 1.343 53 I CB -0.597 37.416 38.000 0.023 0.000 1.046 53 I HN 0.431 nan 8.210 nan 0.000 0.405 54 E N 0.911 121.119 120.200 0.013 0.000 2.171 54 E HA -0.258 4.092 4.350 0.001 0.000 0.197 54 E C 2.245 178.861 176.600 0.025 0.000 0.997 54 E CA 1.328 57.736 56.400 0.013 0.000 0.810 54 E CB -0.247 29.453 29.700 -0.000 0.000 0.738 54 E HN 0.557 nan 8.360 nan 0.000 0.467 55 A N 1.072 123.906 122.820 0.023 0.000 2.015 55 A HA 0.001 4.321 4.320 0.001 0.000 0.219 55 A C 2.224 179.827 177.584 0.032 0.000 1.163 55 A CA 1.452 53.502 52.037 0.021 0.000 0.646 55 A CB -0.191 18.817 19.000 0.013 0.000 0.806 55 A HN 0.269 nan 8.150 nan 0.000 0.448 56 A N -2.045 120.809 122.820 0.056 0.000 2.267 56 A HA 0.222 4.543 4.320 0.001 0.000 0.213 56 A C 1.028 178.727 177.584 0.192 0.000 1.192 56 A CA 0.364 52.458 52.037 0.095 0.000 0.851 56 A CB -0.568 18.499 19.000 0.113 0.000 0.881 56 A HN 0.439 nan 8.150 nan 0.000 0.494 57 C N 1.662 121.042 119.300 0.133 0.000 3.089 57 C HA 0.569 5.030 4.460 0.001 0.000 0.548 57 C C 0.917 175.984 174.990 0.129 0.000 1.205 57 C CA 0.553 59.651 59.018 0.134 0.000 1.398 57 C CB -1.958 25.822 27.740 0.067 0.000 1.764 57 C HN 0.665 nan 8.230 nan 0.000 0.638 58 Q N -0.096 119.820 119.800 0.193 0.000 2.290 58 Q HA 0.658 4.999 4.340 0.001 0.000 0.269 58 Q C 0.644 176.782 176.000 0.230 0.000 1.016 58 Q CA 0.173 56.060 55.803 0.140 0.000 0.754 58 Q CB 1.174 29.954 28.738 0.071 0.000 1.247 58 Q HN 0.641 nan 8.270 nan 0.000 0.451 59 A N 1.119 124.044 122.820 0.176 0.000 1.958 59 A HA -0.217 4.103 4.320 0.001 0.000 0.221 59 A C 1.666 179.374 177.584 0.207 0.000 1.178 59 A CA 2.297 54.457 52.037 0.204 0.000 0.642 59 A CB -0.140 18.914 19.000 0.091 0.000 0.816 59 A HN 0.893 nan 8.150 nan 0.000 0.453 60 E N -0.433 119.829 120.200 0.103 0.000 2.171 60 E HA -0.161 4.190 4.350 0.001 0.000 0.197 60 E C 2.261 178.858 176.600 -0.006 0.000 0.997 60 E CA 1.994 58.421 56.400 0.045 0.000 0.810 60 E CB -0.717 28.993 29.700 0.017 0.000 0.738 60 E HN 0.661 nan 8.360 nan 0.000 0.467 61 R N 0.346 120.796 120.500 -0.083 0.000 2.339 61 R HA 0.036 4.377 4.340 0.001 0.000 0.199 61 R C 0.098 176.056 176.300 -0.569 0.000 1.018 61 R CA 0.908 56.800 56.100 -0.347 0.000 1.036 61 R CB -1.147 28.854 30.300 -0.497 0.000 0.899 61 R HN 0.232 nan 8.270 nan 0.000 0.473 62 Y N -1.380 118.921 120.300 0.001 0.000 2.549 62 Y HA 0.459 5.010 4.550 0.001 0.000 0.339 62 Y C -0.256 175.643 175.900 -0.000 0.000 1.053 62 Y CA -2.080 56.020 58.100 -0.000 0.000 1.105 62 Y CB 1.794 40.253 38.460 -0.002 0.000 1.258 62 Y HN 0.155 nan 8.280 nan 0.000 0.478 63 D N 0.119 120.615 120.400 0.160 0.000 2.412 63 D HA 0.216 4.856 4.640 0.001 0.000 0.224 63 D C 0.482 176.829 176.300 0.079 0.000 1.093 63 D CA -0.090 53.962 54.000 0.087 0.000 0.850 63 D CB 1.264 42.096 40.800 0.053 0.000 1.046 63 D HN 0.586 nan 8.370 nan 0.000 0.507 64 T N 2.347 116.940 114.554 0.064 0.000 2.635 64 T HA -0.115 4.236 4.350 0.001 0.000 0.267 64 T C 1.908 176.628 174.700 0.032 0.000 1.040 64 T CA 1.588 63.713 62.100 0.042 0.000 1.156 64 T CB -0.516 68.374 68.868 0.036 0.000 0.863 64 T HN 0.616 nan 8.240 nan 0.000 0.430 65 G N 1.253 110.072 108.800 0.031 0.000 2.529 65 G HA2 -0.191 3.769 3.960 0.001 0.000 0.219 65 G HA3 -0.191 3.769 3.960 0.001 0.000 0.219 65 G C 1.831 176.746 174.900 0.025 0.000 1.177 65 G CA 1.259 46.375 45.100 0.026 0.000 0.773 65 G HN 0.622 nan 8.290 nan 0.000 0.573 66 A N 0.422 123.259 122.820 0.029 0.000 1.877 66 A HA 0.098 4.419 4.320 0.001 0.000 0.216 66 A C 2.494 180.093 177.584 0.024 0.000 1.186 66 A CA 1.462 53.516 52.037 0.028 0.000 0.620 66 A CB -0.454 18.567 19.000 0.035 0.000 0.822 66 A HN 0.366 nan 8.150 nan 0.000 0.443 67 L N -0.661 120.577 121.223 0.026 0.000 2.042 67 L HA -0.221 4.120 4.340 0.001 0.000 0.210 67 L C 3.110 179.981 176.870 0.001 0.000 1.076 67 L CA 1.058 55.903 54.840 0.008 0.000 0.749 67 L CB -0.614 41.443 42.059 -0.003 0.000 0.893 67 L HN 0.444 nan 8.230 nan 0.000 0.432 68 A N 0.489 123.315 122.820 0.009 0.000 1.892 68 A HA -0.251 4.069 4.320 0.001 0.000 0.218 68 A C 2.085 179.679 177.584 0.017 0.000 1.188 68 A CA 2.182 54.227 52.037 0.012 0.000 0.631 68 A CB -0.678 18.333 19.000 0.019 0.000 0.822 68 A HN 0.501 nan 8.150 nan 0.000 0.447 69 N N 0.234 118.944 118.700 0.017 0.000 2.244 69 N HA -0.090 4.651 4.740 0.001 0.000 0.183 69 N C 1.863 177.383 175.510 0.017 0.000 1.016 69 N CA 1.408 54.469 53.050 0.018 0.000 0.866 69 N CB -0.451 38.046 38.487 0.017 0.000 0.980 69 N HN 0.514 nan 8.380 nan 0.000 0.430 70 A N 1.368 124.195 122.820 0.013 0.000 1.929 70 A HA 0.011 4.332 4.320 0.001 0.000 0.216 70 A C 2.301 179.892 177.584 0.011 0.000 1.176 70 A CA 0.579 52.622 52.037 0.010 0.000 0.628 70 A CB -0.512 18.490 19.000 0.004 0.000 0.816 70 A HN 0.146 nan 8.150 nan 0.000 0.444 71 I N 0.006 120.581 120.570 0.008 0.000 2.264 71 I HA -0.294 3.877 4.170 0.001 0.000 0.248 71 I C 2.839 178.984 176.117 0.047 0.000 1.111 71 I CA 0.998 62.308 61.300 0.016 0.000 1.382 71 I CB -0.249 37.752 38.000 0.003 0.000 1.060 71 I HN 0.354 nan 8.210 nan 0.000 0.418 72 A N -0.192 122.653 122.820 0.042 0.000 2.131 72 A HA -0.178 4.143 4.320 0.001 0.000 0.220 72 A C 2.221 179.830 177.584 0.041 0.000 1.158 72 A CA 2.292 54.356 52.037 0.046 0.000 0.665 72 A CB -0.682 18.337 19.000 0.033 0.000 0.795 72 A HN 0.437 nan 8.150 nan 0.000 0.460 73 T N -1.694 112.882 114.554 0.036 0.000 3.000 73 T HA 0.367 4.717 4.350 0.001 0.000 0.248 73 T C 2.076 176.800 174.700 0.040 0.000 1.034 73 T CA 0.591 62.711 62.100 0.032 0.000 1.060 73 T CB 0.173 69.054 68.868 0.022 0.000 0.983 73 T HN 0.484 nan 8.240 nan 0.000 0.482 74 A N 0.923 123.768 122.820 0.043 0.000 1.930 74 A HA 0.502 4.822 4.320 0.001 0.000 0.215 74 A C 2.166 179.803 177.584 0.088 0.000 1.176 74 A CA 1.438 53.503 52.037 0.047 0.000 0.632 74 A CB -0.761 18.253 19.000 0.023 0.000 0.819 74 A HN 0.759 nan 8.150 nan 0.000 0.445 75 G N -1.043 107.831 108.800 0.124 0.000 2.195 75 G HA2 -0.205 3.756 3.960 0.001 0.000 0.224 75 G HA3 -0.205 3.756 3.960 0.001 0.000 0.224 75 G C -0.038 175.039 174.900 0.295 0.000 0.990 75 G CA 0.887 46.122 45.100 0.226 0.000 0.639 75 G HN 1.471 nan 8.290 nan 0.000 0.514 76 N N -1.673 117.104 118.700 0.128 0.000 3.277 76 N HA 0.582 5.323 4.740 0.001 0.000 0.278 76 N C 0.822 176.229 175.510 -0.171 0.000 1.544 76 N CA 0.509 53.523 53.050 -0.060 0.000 0.869 76 N CB 0.299 38.756 38.487 -0.049 0.000 1.584 76 N HN 0.442 nan 8.380 nan 0.000 0.564 77 S N -1.915 113.578 115.700 -0.345 0.000 2.483 77 S HA 0.285 4.756 4.470 0.001 0.000 0.221 77 S C 1.771 176.256 174.600 -0.192 0.000 1.030 77 S CA 0.399 58.440 58.200 -0.265 0.000 0.925 77 S CB -0.628 62.358 63.200 -0.357 0.000 0.795 77 S HN 0.778 nan 8.310 nan 0.000 0.511 78 A N 3.582 126.296 122.820 -0.177 0.000 1.851 78 A HA -0.021 4.300 4.320 0.001 0.000 0.216 78 A C 2.277 179.769 177.584 -0.155 0.000 1.195 78 A CA 1.742 53.700 52.037 -0.133 0.000 0.622 78 A CB -1.153 17.807 19.000 -0.067 0.000 0.831 78 A HN 0.808 nan 8.150 nan 0.000 0.444 79 I N -1.715 118.779 120.570 -0.127 0.000 2.208 79 I HA -0.119 4.051 4.170 0.001 0.000 0.245 79 I C -0.858 175.196 176.117 -0.105 0.000 1.097 79 I CA 1.793 63.016 61.300 -0.129 0.000 1.363 79 I CB -1.435 36.522 38.000 -0.071 0.000 1.051 79 I HN 0.122 nan 8.210 nan 0.000 0.413 80 P HA -0.087 nan 4.420 nan 0.000 0.219 80 P C 1.945 179.195 177.300 -0.083 0.000 1.150 80 P CA 0.954 64.016 63.100 -0.063 0.000 0.814 80 P CB -0.022 31.649 31.700 -0.048 0.000 0.787 81 L N -0.553 120.593 121.223 -0.128 0.000 2.027 81 L HA -0.097 4.244 4.340 0.001 0.000 0.206 81 L C 2.127 178.896 176.870 -0.169 0.000 1.074 81 L CA 1.797 56.524 54.840 -0.188 0.000 0.745 81 L CB -1.181 40.747 42.059 -0.219 0.000 0.898 81 L HN -0.213 nan 8.230 nan 0.000 0.433 82 V N 0.210 120.033 119.914 -0.152 0.000 2.332 82 V HA -0.344 3.776 4.120 0.001 0.000 0.248 82 V C 2.683 178.736 176.094 -0.068 0.000 1.055 82 V CA 2.236 64.458 62.300 -0.130 0.000 1.038 82 V CB -0.782 30.872 31.823 -0.280 0.000 0.651 82 V HN 0.549 nan 8.190 nan 0.000 0.450 83 K N 0.210 120.571 120.400 -0.065 0.000 2.026 83 K HA -0.186 4.135 4.320 0.001 0.000 0.208 83 K C 2.190 178.804 176.600 0.023 0.000 1.048 83 K CA 1.638 57.913 56.287 -0.020 0.000 0.929 83 K CB -0.350 32.138 32.500 -0.021 0.000 0.713 83 K HN 0.425 nan 8.250 nan 0.000 0.439 84 A N 1.221 124.062 122.820 0.035 0.000 1.933 84 A HA -0.138 4.182 4.320 0.001 0.000 0.218 84 A C 2.018 179.749 177.584 0.245 0.000 1.175 84 A CA 1.279 53.397 52.037 0.134 0.000 0.628 84 A CB -0.552 18.552 19.000 0.173 0.000 0.814 84 A HN 0.410 nan 8.150 nan 0.000 0.444 85 L N 0.181 121.500 121.223 0.161 0.000 2.017 85 L HA 0.002 4.343 4.340 0.001 0.000 0.208 85 L C 2.358 179.319 176.870 0.152 0.000 1.073 85 L CA 2.414 57.386 54.840 0.221 0.000 0.745 85 L CB -1.212 40.889 42.059 0.070 0.000 0.894 85 L HN 0.275 nan 8.230 nan 0.000 0.432 86 G N -0.843 108.009 108.800 0.088 0.000 2.440 86 G HA2 -0.357 3.604 3.960 0.001 0.000 0.218 86 G HA3 -0.357 3.604 3.960 0.001 0.000 0.218 86 G C 1.672 176.609 174.900 0.062 0.000 1.154 86 G CA 1.294 46.433 45.100 0.066 0.000 0.767 86 G HN 0.553 nan 8.290 nan 0.000 0.552 87 K N 0.154 120.593 120.400 0.065 0.000 2.362 87 K HA 0.329 4.650 4.320 0.001 0.000 0.200 87 K C 2.370 178.996 176.600 0.043 0.000 1.046 87 K CA 1.322 57.638 56.287 0.049 0.000 0.952 87 K CB -0.485 32.042 32.500 0.046 0.000 0.753 87 K HN 0.295 nan 8.250 nan 0.000 0.466 88 V N 0.447 120.399 119.914 0.063 0.000 2.599 88 V HA 0.018 4.139 4.120 0.001 0.000 0.245 88 V C 2.248 178.359 176.094 0.029 0.000 1.046 88 V CA 0.920 63.235 62.300 0.025 0.000 1.065 88 V CB -0.069 31.757 31.823 0.005 0.000 0.703 88 V HN 0.529 nan 8.190 nan 0.000 0.464 89 I N 0.649 121.252 120.570 0.055 0.000 2.676 89 I HA -0.131 4.040 4.170 0.001 0.000 0.259 89 I C 2.550 178.690 176.117 0.040 0.000 1.194 89 I CA 1.114 62.444 61.300 0.051 0.000 1.473 89 I CB -0.402 37.639 38.000 0.068 0.000 1.096 89 I HN 0.283 nan 8.210 nan 0.000 0.443 90 A N 0.542 123.383 122.820 0.036 0.000 1.930 90 A HA -0.166 4.154 4.320 0.001 0.000 0.217 90 A C 2.357 179.953 177.584 0.019 0.000 1.175 90 A CA 2.089 54.143 52.037 0.028 0.000 0.627 90 A CB -0.930 18.084 19.000 0.024 0.000 0.815 90 A HN 0.325 nan 8.150 nan 0.000 0.443 91 T N -0.365 114.197 114.554 0.013 0.000 2.699 91 T HA -0.088 4.263 4.350 0.001 0.000 0.268 91 T C 1.764 176.468 174.700 0.007 0.000 1.036 91 T CA 1.783 63.887 62.100 0.006 0.000 1.147 91 T CB -0.411 68.455 68.868 -0.004 0.000 0.862 91 T HN 0.594 nan 8.240 nan 0.000 0.446 92 G N 0.144 108.950 108.800 0.010 0.000 2.688 92 G HA2 0.164 4.125 3.960 0.001 0.000 0.214 92 G HA3 0.164 4.125 3.960 0.001 0.000 0.214 92 G C 0.322 175.233 174.900 0.018 0.000 1.211 92 G CA -0.041 45.066 45.100 0.011 0.000 0.853 92 G HN 0.397 nan 8.290 nan 0.000 0.591 93 V N 2.853 122.782 119.914 0.026 0.000 2.192 93 V HA 0.229 4.350 4.120 0.001 0.000 0.264 93 V C -1.526 174.594 176.094 0.044 0.000 1.155 93 V CA -0.979 61.342 62.300 0.034 0.000 1.005 93 V CB 1.278 33.124 31.823 0.038 0.000 1.201 93 V HN 0.132 nan 8.190 nan 0.000 0.468 94 P HA -0.228 nan 4.420 nan 0.000 0.218 94 P C 1.452 178.779 177.300 0.043 0.000 1.152 94 P CA 1.320 64.441 63.100 0.034 0.000 0.857 94 P CB 0.245 31.960 31.700 0.024 0.000 0.787 95 E N -0.754 119.480 120.200 0.058 0.000 2.494 95 E HA 0.076 4.426 4.350 0.001 0.000 0.193 95 E C 1.335 178.029 176.600 0.156 0.000 1.074 95 E CA 0.639 57.087 56.400 0.080 0.000 0.867 95 E CB -0.687 29.063 29.700 0.083 0.000 0.924 95 E HN 0.180 nan 8.360 nan 0.000 0.502 96 A N 1.245 124.155 122.820 0.149 0.000 2.044 96 A HA -0.016 4.305 4.320 0.001 0.000 0.213 96 A C 2.044 179.752 177.584 0.207 0.000 1.169 96 A CA 0.620 52.796 52.037 0.232 0.000 0.724 96 A CB -0.279 18.798 19.000 0.128 0.000 0.840 96 A HN 0.278 nan 8.150 nan 0.000 0.463 97 E N 1.080 121.340 120.200 0.101 0.000 2.187 97 E HA -0.285 4.065 4.350 0.001 0.000 0.199 97 E C 1.987 178.596 176.600 0.014 0.000 1.004 97 E CA 1.606 58.040 56.400 0.058 0.000 0.813 97 E CB -0.155 29.564 29.700 0.031 0.000 0.736 97 E HN 0.728 nan 8.360 nan 0.000 0.468 98 R N -0.837 119.614 120.500 -0.081 0.000 2.339 98 R HA -0.105 4.235 4.340 0.001 0.000 0.199 98 R C 0.814 176.921 176.300 -0.321 0.000 1.018 98 R CA 1.008 56.968 56.100 -0.233 0.000 1.036 98 R CB -0.203 29.876 30.300 -0.369 0.000 0.899 98 R HN 0.301 nan 8.270 nan 0.000 0.473 99 Y N 0.083 120.395 120.300 0.019 0.000 2.458 99 Y HA 0.192 4.743 4.550 0.001 0.000 0.254 99 Y C 1.077 176.990 175.900 0.022 0.000 1.120 99 Y CA -0.454 57.652 58.100 0.011 0.000 1.282 99 Y CB 0.743 39.197 38.460 -0.009 0.000 1.109 99 Y HN -0.114 nan 8.280 nan 0.000 0.526 100 V N 1.869 121.880 119.914 0.162 0.000 2.655 100 V HA -0.034 4.087 4.120 0.001 0.000 0.300 100 V C 0.998 177.211 176.094 0.199 0.000 1.044 100 V CA 0.265 62.652 62.300 0.144 0.000 1.095 100 V CB 0.114 32.009 31.823 0.120 0.000 0.952 100 V HN 0.717 nan 8.190 nan 0.000 0.485 101 H N 2.794 121.900 119.070 0.061 0.000 2.820 101 H HA -0.183 4.374 4.556 0.001 0.000 0.295 101 H C -0.277 175.113 175.328 0.104 0.000 1.187 101 H CA 0.651 56.758 56.048 0.100 0.000 1.144 101 H CB -0.524 29.297 29.762 0.099 0.000 1.354 101 H HN 0.574 nan 8.280 nan 0.000 0.395 102 L N 0.992 122.263 121.223 0.081 0.000 2.477 102 L HA 0.314 4.655 4.340 0.001 0.000 0.272 102 L C 1.499 178.401 176.870 0.055 0.000 1.157 102 L CA 1.783 56.667 54.840 0.072 0.000 0.889 102 L CB 0.295 42.412 42.059 0.098 0.000 1.158 102 L HN 0.471 nan 8.230 nan 0.000 0.473 103 G N 3.092 111.912 108.800 0.034 0.000 2.184 103 G HA2 -0.187 3.773 3.960 0.001 0.000 0.264 103 G HA3 -0.187 3.773 3.960 0.001 0.000 0.264 103 G C 0.302 175.169 174.900 -0.055 0.000 0.975 103 G CA 0.278 45.382 45.100 0.006 0.000 0.642 103 G HN 1.220 nan 8.290 nan 0.000 0.536 104 A N -0.804 121.964 122.820 -0.086 0.000 2.320 104 A HA 0.898 5.219 4.320 0.001 0.000 0.334 104 A C 0.259 177.760 177.584 -0.138 0.000 1.147 104 A CA 0.747 52.709 52.037 -0.125 0.000 0.820 104 A CB 1.561 20.541 19.000 -0.033 0.000 1.218 104 A HN 1.027 nan 8.150 nan 0.000 0.482 105 T N -0.410 114.122 114.554 -0.037 0.000 2.944 105 T HA 0.390 4.741 4.350 0.001 0.000 0.284 105 T C 1.494 176.280 174.700 0.144 0.000 1.010 105 T CA 0.204 62.336 62.100 0.052 0.000 1.025 105 T CB 1.012 69.810 68.868 -0.115 0.000 1.079 105 T HN 0.581 nan 8.240 nan 0.000 0.516 106 S N 1.253 117.042 115.700 0.148 0.000 2.365 106 S HA -0.182 4.289 4.470 0.001 0.000 0.225 106 S C 1.946 176.581 174.600 0.058 0.000 1.039 106 S CA 1.716 59.992 58.200 0.127 0.000 1.033 106 S CB -0.435 62.822 63.200 0.095 0.000 0.887 106 S HN 0.801 nan 8.310 nan 0.000 0.447 107 Q N 0.580 120.366 119.800 -0.024 0.000 2.234 107 Q HA -0.188 4.152 4.340 0.001 0.000 0.206 107 Q C 1.248 177.162 176.000 -0.142 0.000 0.980 107 Q CA 1.375 57.132 55.803 -0.077 0.000 0.869 107 Q CB -0.106 28.340 28.738 -0.486 0.000 0.912 107 Q HN 0.459 nan 8.270 nan 0.000 0.436 108 D N -0.027 120.280 120.400 -0.155 0.000 2.104 108 D HA -0.169 4.472 4.640 0.001 0.000 0.194 108 D C 1.656 177.536 176.300 -0.700 0.000 0.994 108 D CA 1.452 55.303 54.000 -0.249 0.000 0.830 108 D CB -0.155 40.616 40.800 -0.047 0.000 0.959 108 D HN 0.400 nan 8.370 nan 0.000 0.452 109 A N 0.689 123.124 122.820 -0.642 0.000 1.898 109 A HA -0.113 4.208 4.320 0.001 0.000 0.216 109 A C 2.307 179.661 177.584 -0.383 0.000 1.181 109 A CA 1.129 52.708 52.037 -0.764 0.000 0.620 109 A CB -0.446 18.492 19.000 -0.103 0.000 0.819 109 A HN 0.119 nan 8.150 nan 0.000 0.442 110 M N -0.623 118.853 119.600 -0.207 0.000 2.077 110 M HA -0.143 4.338 4.480 0.001 0.000 0.261 110 M C 1.642 177.891 176.300 -0.085 0.000 1.070 110 M CA 1.762 56.980 55.300 -0.137 0.000 1.125 110 M CB -0.675 31.881 32.600 -0.074 0.000 1.339 110 M HN 0.264 nan 8.290 nan 0.000 0.409 111 D N 0.042 120.399 120.400 -0.070 0.000 2.117 111 D HA -0.103 4.538 4.640 0.001 0.000 0.197 111 D C 1.996 178.284 176.300 -0.019 0.000 0.987 111 D CA 1.493 55.473 54.000 -0.034 0.000 0.829 111 D CB -0.389 40.254 40.800 -0.261 0.000 0.961 111 D HN 0.279 nan 8.370 nan 0.000 0.460 112 T N -0.332 114.136 114.554 -0.143 0.000 2.777 112 T HA -0.068 4.282 4.350 0.001 0.000 0.266 112 T C 1.956 176.651 174.700 -0.008 0.000 1.040 112 T CA 1.380 63.445 62.100 -0.058 0.000 1.141 112 T CB -0.602 68.177 68.868 -0.148 0.000 0.868 112 T HN 0.247 nan 8.240 nan 0.000 0.444 113 G N 1.401 110.163 108.800 -0.063 0.000 2.440 113 G HA2 -0.155 3.805 3.960 0.001 0.000 0.218 113 G HA3 -0.155 3.805 3.960 0.001 0.000 0.218 113 G C 1.503 176.406 174.900 0.006 0.000 1.154 113 G CA 0.412 45.503 45.100 -0.015 0.000 0.767 113 G HN 0.430 nan 8.290 nan 0.000 0.552 114 L N 0.523 121.763 121.223 0.028 0.000 1.994 114 L HA -0.088 4.252 4.340 0.001 0.000 0.208 114 L C 2.973 179.897 176.870 0.091 0.000 1.071 114 L CA 1.259 56.153 54.840 0.090 0.000 0.745 114 L CB -0.365 41.780 42.059 0.145 0.000 0.892 114 L HN 0.150 nan 8.230 nan 0.000 0.431 115 V N 0.523 120.498 119.914 0.102 0.000 2.380 115 V HA -0.343 3.778 4.120 0.001 0.000 0.251 115 V C 2.545 178.649 176.094 0.016 0.000 1.063 115 V CA 1.787 64.130 62.300 0.072 0.000 1.055 115 V CB -0.440 31.461 31.823 0.131 0.000 0.657 115 V HN 0.417 nan 8.190 nan 0.000 0.455 116 L N -0.689 120.546 121.223 0.021 0.000 2.046 116 L HA -0.236 4.105 4.340 0.001 0.000 0.208 116 L C 2.704 179.547 176.870 -0.046 0.000 1.077 116 L CA 1.704 56.541 54.840 -0.005 0.000 0.747 116 L CB -0.619 41.444 42.059 0.007 0.000 0.896 116 L HN 0.381 nan 8.230 nan 0.000 0.432 117 Q N -0.157 119.605 119.800 -0.064 0.000 2.124 117 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 117 Q C 2.370 178.300 176.000 -0.117 0.000 0.977 117 Q CA 1.186 56.885 55.803 -0.174 0.000 0.850 117 Q CB -0.131 28.448 28.738 -0.264 0.000 0.901 117 Q HN 0.522 nan 8.270 nan 0.000 0.429 118 L N 0.418 121.634 121.223 -0.011 0.000 2.083 118 L HA -0.187 4.154 4.340 0.001 0.000 0.209 118 L C 2.717 179.515 176.870 -0.120 0.000 1.083 118 L CA 1.071 55.886 54.840 -0.041 0.000 0.752 118 L CB -0.473 41.475 42.059 -0.185 0.000 0.899 118 L HN 0.238 nan 8.230 nan 0.000 0.433 119 R N 0.354 120.796 120.500 -0.097 0.000 2.081 119 R HA -0.179 4.162 4.340 0.001 0.000 0.235 119 R C 1.741 178.021 176.300 -0.033 0.000 1.131 119 R CA 1.859 57.915 56.100 -0.073 0.000 0.960 119 R CB -0.175 30.095 30.300 -0.049 0.000 0.856 119 R HN 0.315 nan 8.270 nan 0.000 0.436 120 D N 0.333 120.708 120.400 -0.041 0.000 2.144 120 D HA -0.115 4.525 4.640 0.001 0.000 0.199 120 D C 1.688 177.995 176.300 0.011 0.000 0.984 120 D CA 1.445 55.427 54.000 -0.029 0.000 0.834 120 D CB -0.155 40.602 40.800 -0.072 0.000 0.955 120 D HN 0.378 nan 8.370 nan 0.000 0.465 121 A N 0.813 123.656 122.820 0.038 0.000 1.873 121 A HA -0.085 4.235 4.320 0.001 0.000 0.215 121 A C 2.298 180.001 177.584 0.199 0.000 1.186 121 A CA 0.654 52.793 52.037 0.169 0.000 0.616 121 A CB -0.818 18.398 19.000 0.360 0.000 0.823 121 A HN 0.243 nan 8.150 nan 0.000 0.442 122 L N -0.417 120.900 121.223 0.156 0.000 2.042 122 L HA -0.242 4.099 4.340 0.001 0.000 0.210 122 L C 1.941 178.891 176.870 0.132 0.000 1.076 122 L CA 2.079 57.026 54.840 0.178 0.000 0.749 122 L CB -0.512 41.578 42.059 0.052 0.000 0.893 122 L HN 0.365 nan 8.230 nan 0.000 0.432 123 D N -0.271 120.179 120.400 0.083 0.000 2.117 123 D HA -0.195 4.445 4.640 0.001 0.000 0.197 123 D C 2.332 178.679 176.300 0.079 0.000 0.987 123 D CA 1.105 55.146 54.000 0.069 0.000 0.829 123 D CB -0.118 40.707 40.800 0.042 0.000 0.961 123 D HN 0.328 nan 8.370 nan 0.000 0.460 124 L N 0.346 121.621 121.223 0.087 0.000 2.027 124 L HA -0.112 4.228 4.340 0.001 0.000 0.206 124 L C 2.560 179.487 176.870 0.095 0.000 1.074 124 L CA 0.761 55.653 54.840 0.086 0.000 0.745 124 L CB -0.358 41.757 42.059 0.093 0.000 0.898 124 L HN 0.036 nan 8.230 nan 0.000 0.433 125 I N -0.143 120.498 120.570 0.118 0.000 2.208 125 I HA -0.310 3.861 4.170 0.001 0.000 0.245 125 I C 2.474 178.650 176.117 0.097 0.000 1.097 125 I CA 1.444 62.809 61.300 0.110 0.000 1.363 125 I CB -0.307 37.776 38.000 0.139 0.000 1.051 125 I HN 0.339 nan 8.210 nan 0.000 0.413 126 E N 0.835 121.100 120.200 0.109 0.000 2.106 126 E HA -0.189 4.162 4.350 0.001 0.000 0.192 126 E C 2.344 179.000 176.600 0.094 0.000 0.984 126 E CA 1.191 57.655 56.400 0.107 0.000 0.806 126 E CB -0.137 29.634 29.700 0.119 0.000 0.750 126 E HN 0.523 nan 8.360 nan 0.000 0.458 127 A N 2.149 125.019 122.820 0.084 0.000 1.845 127 A HA -0.236 4.084 4.320 0.001 0.000 0.215 127 A C 1.816 179.441 177.584 0.069 0.000 1.195 127 A CA 1.883 53.964 52.037 0.074 0.000 0.616 127 A CB -0.570 18.469 19.000 0.065 0.000 0.832 127 A HN 0.085 nan 8.150 nan 0.000 0.443 128 D N 0.047 120.485 120.400 0.065 0.000 2.133 128 D HA -0.156 4.485 4.640 0.001 0.000 0.195 128 D C 1.965 178.292 176.300 0.045 0.000 0.997 128 D CA 1.134 55.167 54.000 0.055 0.000 0.840 128 D CB -0.438 40.396 40.800 0.057 0.000 0.947 128 D HN 0.431 nan 8.370 nan 0.000 0.452 129 L N 0.510 121.761 121.223 0.047 0.000 2.012 129 L HA -0.127 4.213 4.340 0.001 0.000 0.210 129 L C 2.595 179.482 176.870 0.028 0.000 1.073 129 L CA 1.576 56.432 54.840 0.028 0.000 0.748 129 L CB -0.777 41.300 42.059 0.029 0.000 0.891 129 L HN 0.116 nan 8.230 nan 0.000 0.431 130 G N -0.370 108.469 108.800 0.065 0.000 2.418 130 G HA2 -0.303 3.658 3.960 0.001 0.000 0.217 130 G HA3 -0.303 3.658 3.960 0.001 0.000 0.217 130 G C 1.668 176.624 174.900 0.092 0.000 1.158 130 G CA 0.883 46.046 45.100 0.104 0.000 0.771 130 G HN 0.287 nan 8.290 nan 0.000 0.545 131 K N -0.274 120.166 120.400 0.066 0.000 2.002 131 K HA -0.057 4.263 4.320 0.001 0.000 0.209 131 K C 2.450 179.064 176.600 0.024 0.000 1.048 131 K CA 1.343 57.661 56.287 0.052 0.000 0.930 131 K CB -0.335 32.194 32.500 0.048 0.000 0.714 131 K HN 0.224 nan 8.250 nan 0.000 0.438 132 L N 1.166 122.392 121.223 0.005 0.000 2.042 132 L HA -0.138 4.202 4.340 0.001 0.000 0.210 132 L C 2.228 179.041 176.870 -0.095 0.000 1.076 132 L CA 2.182 57.001 54.840 -0.036 0.000 0.749 132 L CB -0.735 41.301 42.059 -0.038 0.000 0.893 132 L HN 0.281 nan 8.230 nan 0.000 0.432 133 A N -1.077 121.683 122.820 -0.099 0.000 1.933 133 A HA -0.207 4.114 4.320 0.001 0.000 0.218 133 A C 2.031 179.409 177.584 -0.344 0.000 1.175 133 A CA 1.775 53.675 52.037 -0.229 0.000 0.628 133 A CB -0.759 18.152 19.000 -0.147 0.000 0.814 133 A HN 0.541 nan 8.150 nan 0.000 0.444 134 D N -0.591 119.751 120.400 -0.097 0.000 2.078 134 D HA -0.148 4.493 4.640 0.001 0.000 0.193 134 D C 2.358 178.626 176.300 -0.053 0.000 0.990 134 D CA 2.400 56.400 54.000 -0.001 0.000 0.827 134 D CB -0.675 40.188 40.800 0.106 0.000 0.975 134 D HN 0.548 nan 8.370 nan 0.000 0.451 135 T N -0.294 114.239 114.554 -0.035 0.000 2.833 135 T HA -0.154 4.197 4.350 0.001 0.000 0.269 135 T C 2.027 176.694 174.700 -0.053 0.000 1.054 135 T CA 0.677 62.764 62.100 -0.022 0.000 1.135 135 T CB -0.287 68.582 68.868 0.001 0.000 0.869 135 T HN -0.052 nan 8.240 nan 0.000 0.466 136 L N 1.417 122.568 121.223 -0.119 0.000 2.141 136 L HA 0.164 4.504 4.340 0.001 0.000 0.209 136 L C 2.944 179.730 176.870 -0.141 0.000 1.094 136 L CA 1.684 56.432 54.840 -0.154 0.000 0.763 136 L CB -1.131 40.781 42.059 -0.245 0.000 0.908 136 L HN 0.448 nan 8.230 nan 0.000 0.437 137 S N -1.307 114.278 115.700 -0.192 0.000 2.368 137 S HA -0.222 4.248 4.470 0.001 0.000 0.225 137 S C 1.912 176.485 174.600 -0.044 0.000 1.030 137 S CA 1.374 59.479 58.200 -0.158 0.000 0.999 137 S CB -0.060 63.000 63.200 -0.234 0.000 0.844 137 S HN 0.581 nan 8.310 nan 0.000 0.459 138 Q N 0.018 119.806 119.800 -0.021 0.000 2.046 138 Q HA -0.100 4.240 4.340 0.001 0.000 0.200 138 Q C 2.576 178.591 176.000 0.026 0.000 0.975 138 Q CA 1.290 57.099 55.803 0.010 0.000 0.836 138 Q CB -0.280 28.469 28.738 0.018 0.000 0.896 138 Q HN 0.561 nan 8.270 nan 0.000 0.428 139 Q N 0.328 120.154 119.800 0.043 0.000 2.096 139 Q HA -0.160 4.181 4.340 0.001 0.000 0.204 139 Q C 2.132 178.213 176.000 0.135 0.000 0.982 139 Q CA 1.504 57.379 55.803 0.120 0.000 0.850 139 Q CB -0.437 28.367 28.738 0.110 0.000 0.901 139 Q HN 0.379 nan 8.270 nan 0.000 0.422 140 A N 1.128 123.982 122.820 0.057 0.000 1.865 140 A HA -0.176 4.145 4.320 0.001 0.000 0.217 140 A C 2.302 179.921 177.584 0.059 0.000 1.191 140 A CA 1.352 53.420 52.037 0.053 0.000 0.623 140 A CB -0.855 18.149 19.000 0.006 0.000 0.826 140 A HN 0.305 nan 8.150 nan 0.000 0.444 141 L N -0.695 120.548 121.223 0.033 0.000 2.017 141 L HA -0.225 4.115 4.340 0.001 0.000 0.208 141 L C 2.666 179.532 176.870 -0.007 0.000 1.073 141 L CA 2.041 56.892 54.840 0.018 0.000 0.745 141 L CB -0.466 41.600 42.059 0.012 0.000 0.894 141 L HN 0.516 nan 8.230 nan 0.000 0.432 142 K N -0.190 120.193 120.400 -0.029 0.000 2.074 142 K HA -0.228 4.093 4.320 0.001 0.000 0.209 142 K C 1.079 177.516 176.600 -0.271 0.000 1.048 142 K CA 1.825 58.020 56.287 -0.153 0.000 0.926 142 K CB -0.068 32.318 32.500 -0.191 0.000 0.713 142 K HN 0.433 nan 8.250 nan 0.000 0.444 143 H N -1.241 117.838 119.070 0.014 0.000 2.486 143 H HA 0.319 4.876 4.556 0.001 0.000 0.284 143 H C 0.954 176.289 175.328 0.011 0.000 1.103 143 H CA 0.228 56.285 56.048 0.015 0.000 1.089 143 H CB 0.931 30.707 29.762 0.023 0.000 1.603 143 H HN 0.312 nan 8.280 nan 0.000 0.557 144 A N 0.936 123.800 122.820 0.072 0.000 2.084 144 A HA -0.205 4.116 4.320 0.001 0.000 0.221 144 A C 1.102 178.706 177.584 0.034 0.000 1.161 144 A CA 2.042 54.108 52.037 0.049 0.000 0.653 144 A CB -0.090 18.922 19.000 0.020 0.000 0.802 144 A HN 0.567 nan 8.150 nan 0.000 0.457 145 D N -2.559 117.859 120.400 0.030 0.000 2.620 145 D HA 0.099 4.739 4.640 0.001 0.000 0.260 145 D C 0.288 176.602 176.300 0.024 0.000 1.367 145 D CA 0.340 54.346 54.000 0.011 0.000 0.805 145 D CB -1.154 39.635 40.800 -0.017 0.000 1.096 145 D HN 0.123 nan 8.370 nan 0.000 0.488 146 T N 1.115 115.711 114.554 0.069 0.000 2.729 146 T HA 0.378 4.728 4.350 0.001 0.000 0.296 146 T C -2.541 172.191 174.700 0.054 0.000 0.928 146 T CA -1.543 60.605 62.100 0.081 0.000 1.045 146 T CB 1.127 70.102 68.868 0.179 0.000 0.902 146 T HN -0.089 nan 8.240 nan 0.000 0.500 147 P HA 0.384 nan 4.420 nan 0.000 0.279 147 P C -0.601 176.707 177.300 0.015 0.000 1.239 147 P CA -0.585 62.527 63.100 0.019 0.000 0.789 147 P CB 0.926 32.634 31.700 0.013 0.000 0.933 148 L N 1.233 122.457 121.223 0.002 0.000 2.415 148 L HA 0.644 4.984 4.340 0.001 0.000 0.256 148 L C -0.493 176.350 176.870 -0.045 0.000 1.010 148 L CA -1.480 53.347 54.840 -0.022 0.000 0.826 148 L CB 1.716 43.758 42.059 -0.028 0.000 1.405 148 L HN 0.084 nan 8.230 nan 0.000 0.410 149 V N 1.301 121.152 119.914 -0.106 0.000 2.811 149 V HA 0.497 4.618 4.120 0.001 0.000 0.302 149 V C 0.921 176.927 176.094 -0.147 0.000 1.063 149 V CA 0.726 62.920 62.300 -0.176 0.000 1.088 149 V CB 1.307 32.855 31.823 -0.458 0.000 0.982 149 V HN 0.987 nan 8.190 nan 0.000 0.485 150 G N 5.646 114.392 108.800 -0.089 0.000 2.415 150 G HA2 0.511 4.471 3.960 0.001 0.000 0.269 150 G HA3 0.511 4.471 3.960 0.001 0.000 0.269 150 G C -0.490 174.391 174.900 -0.031 0.000 1.209 150 G CA -0.634 44.448 45.100 -0.031 0.000 0.835 150 G HN 0.809 nan 8.290 nan 0.000 0.534 151 R N 1.113 121.621 120.500 0.013 0.000 2.409 151 R HA 0.430 4.771 4.340 0.001 0.000 0.313 151 R C -0.952 175.411 176.300 0.105 0.000 0.953 151 R CA -0.536 55.602 56.100 0.064 0.000 0.849 151 R CB 2.021 32.354 30.300 0.055 0.000 1.171 151 R HN 0.437 nan 8.270 nan 0.000 0.458 152 T N 2.491 117.140 114.554 0.158 0.000 2.786 152 T HA 0.184 4.535 4.350 0.001 0.000 0.283 152 T C -0.636 174.298 174.700 0.391 0.000 0.992 152 T CA -0.350 61.901 62.100 0.251 0.000 0.954 152 T CB 0.401 69.399 68.868 0.216 0.000 0.934 152 T HN 0.660 nan 8.240 nan 0.000 0.440 153 W N 4.003 125.314 121.300 0.018 0.000 5.538 153 W HA -0.234 4.427 4.660 0.001 0.000 0.377 153 W C 0.763 177.293 176.519 0.019 0.000 1.406 153 W CA 0.001 57.354 57.345 0.014 0.000 0.940 153 W CB -2.539 26.929 29.460 0.013 0.000 2.536 153 W HN 0.782 nan 8.180 nan 0.000 1.504 154 L N -2.839 118.506 121.223 0.203 0.000 4.429 154 L HA -0.354 3.987 4.340 0.001 0.000 0.422 154 L C 1.161 178.124 176.870 0.156 0.000 1.149 154 L CA 1.185 56.111 54.840 0.143 0.000 0.972 154 L CB -1.234 40.887 42.059 0.104 0.000 2.059 154 L HN 0.182 nan 8.230 nan 0.000 0.870 155 Q N -0.670 119.238 119.800 0.180 0.000 2.257 155 Q HA 0.447 4.788 4.340 0.001 0.000 0.262 155 Q C -0.072 176.068 176.000 0.234 0.000 0.997 155 Q CA -0.738 55.157 55.803 0.154 0.000 0.873 155 Q CB 1.278 30.069 28.738 0.088 0.000 1.312 155 Q HN 0.047 nan 8.270 nan 0.000 0.450 156 H N 0.295 119.383 119.070 0.029 0.000 2.848 156 H HA 0.440 4.997 4.556 0.001 0.000 0.341 156 H C -0.333 175.014 175.328 0.032 0.000 1.060 156 H CA 0.254 56.319 56.048 0.029 0.000 1.444 156 H CB 0.629 30.400 29.762 0.016 0.000 1.446 156 H HN 0.689 nan 8.280 nan 0.000 0.583 157 A N 1.552 124.429 122.820 0.096 0.000 2.504 157 A HA 0.565 4.885 4.320 0.001 0.000 0.285 157 A C -0.127 177.498 177.584 0.068 0.000 1.261 157 A CA -0.396 51.688 52.037 0.080 0.000 0.741 157 A CB 0.224 19.270 19.000 0.077 0.000 1.327 157 A HN 0.723 nan 8.150 nan 0.000 0.441 158 T N 0.120 114.733 114.554 0.099 0.000 2.908 158 T HA 0.390 4.741 4.350 0.001 0.000 0.325 158 T C -2.363 172.392 174.700 0.092 0.000 1.092 158 T CA -0.462 61.725 62.100 0.145 0.000 1.125 158 T CB -0.565 68.421 68.868 0.198 0.000 1.016 158 T HN 0.367 nan 8.240 nan 0.000 0.550 159 P HA 0.300 nan 4.420 nan 0.000 0.267 159 P C -0.550 176.769 177.300 0.032 0.000 1.195 159 P CA -0.332 62.805 63.100 0.062 0.000 0.773 159 P CB 0.416 32.177 31.700 0.102 0.000 0.837 160 V N 0.577 120.503 119.914 0.020 0.000 3.202 160 V HA 0.540 4.661 4.120 0.001 0.000 0.306 160 V C -0.325 175.783 176.094 0.023 0.000 1.283 160 V CA -0.410 61.906 62.300 0.027 0.000 1.065 160 V CB 2.667 34.508 31.823 0.029 0.000 1.079 160 V HN 0.489 nan 8.190 nan 0.000 0.448 161 T N 0.506 115.082 114.554 0.036 0.000 2.908 161 T HA 0.416 4.766 4.350 0.001 0.000 0.290 161 T C 0.367 175.093 174.700 0.043 0.000 1.034 161 T CA -0.248 61.874 62.100 0.037 0.000 1.010 161 T CB 1.436 70.327 68.868 0.038 0.000 1.068 161 T HN 0.568 nan 8.240 nan 0.000 0.481 162 L N 4.092 125.340 121.223 0.041 0.000 2.083 162 L HA 0.222 4.563 4.340 0.001 0.000 0.209 162 L C 2.328 179.227 176.870 0.049 0.000 1.083 162 L CA 2.537 57.387 54.840 0.018 0.000 0.752 162 L CB -0.996 41.031 42.059 -0.053 0.000 0.899 162 L HN 0.831 nan 8.230 nan 0.000 0.433 163 G N -0.784 108.072 108.800 0.093 0.000 2.422 163 G HA2 -0.319 3.642 3.960 0.001 0.000 0.218 163 G HA3 -0.319 3.642 3.960 0.001 0.000 0.218 163 G C 1.637 176.582 174.900 0.074 0.000 1.146 163 G CA 0.934 46.090 45.100 0.093 0.000 0.769 163 G HN 0.440 nan 8.290 nan 0.000 0.547 164 M N 0.079 119.731 119.600 0.085 0.000 2.086 164 M HA -0.053 4.428 4.480 0.001 0.000 0.261 164 M C 2.601 178.944 176.300 0.073 0.000 1.067 164 M CA 1.640 57.010 55.300 0.117 0.000 1.116 164 M CB -0.159 32.532 32.600 0.152 0.000 1.348 164 M HN 0.159 nan 8.290 nan 0.000 0.407 165 K N 0.283 120.714 120.400 0.053 0.000 2.009 165 K HA -0.151 4.169 4.320 0.001 0.000 0.210 165 K C 1.864 178.477 176.600 0.021 0.000 1.049 165 K CA 1.493 57.801 56.287 0.036 0.000 0.929 165 K CB -0.473 32.050 32.500 0.039 0.000 0.714 165 K HN 0.380 nan 8.250 nan 0.000 0.440 166 L N 0.680 121.916 121.223 0.021 0.000 2.131 166 L HA -0.185 4.155 4.340 0.001 0.000 0.210 166 L C 2.576 179.406 176.870 -0.067 0.000 1.092 166 L CA 0.895 55.717 54.840 -0.029 0.000 0.759 166 L CB -0.639 41.412 42.059 -0.013 0.000 0.903 166 L HN 0.255 nan 8.230 nan 0.000 0.435 167 A N 0.434 123.240 122.820 -0.023 0.000 1.933 167 A HA -0.110 4.210 4.320 0.001 0.000 0.218 167 A C 2.423 179.968 177.584 -0.065 0.000 1.175 167 A CA 1.631 53.650 52.037 -0.029 0.000 0.628 167 A CB -1.089 17.933 19.000 0.037 0.000 0.814 167 A HN 0.434 nan 8.150 nan 0.000 0.444 168 G N -0.548 108.215 108.800 -0.062 0.000 2.422 168 G HA2 -0.100 3.861 3.960 0.001 0.000 0.218 168 G HA3 -0.100 3.861 3.960 0.001 0.000 0.218 168 G C 1.474 176.304 174.900 -0.118 0.000 1.146 168 G CA 1.246 46.291 45.100 -0.092 0.000 0.769 168 G HN 0.325 nan 8.290 nan 0.000 0.547 169 V N 0.707 120.543 119.914 -0.130 0.000 2.358 169 V HA -0.110 4.010 4.120 0.001 0.000 0.246 169 V C 2.647 178.608 176.094 -0.220 0.000 1.047 169 V CA 1.494 63.682 62.300 -0.187 0.000 1.035 169 V CB -0.474 31.164 31.823 -0.309 0.000 0.658 169 V HN 0.351 nan 8.190 nan 0.000 0.452 170 L N 1.619 122.715 121.223 -0.211 0.000 2.012 170 L HA -0.074 4.267 4.340 0.001 0.000 0.210 170 L C 2.383 179.138 176.870 -0.193 0.000 1.073 170 L CA 2.560 57.272 54.840 -0.215 0.000 0.748 170 L CB -1.436 40.508 42.059 -0.192 0.000 0.891 170 L HN 0.273 nan 8.230 nan 0.000 0.431 171 G N -1.017 107.688 108.800 -0.159 0.000 2.491 171 G HA2 -0.338 3.623 3.960 0.001 0.000 0.218 171 G HA3 -0.338 3.623 3.960 0.001 0.000 0.218 171 G C 1.614 176.379 174.900 -0.226 0.000 1.180 171 G CA 1.258 46.265 45.100 -0.156 0.000 0.774 171 G HN 0.702 nan 8.290 nan 0.000 0.562 172 A N 0.562 123.225 122.820 -0.262 0.000 1.883 172 A HA 0.029 4.350 4.320 0.001 0.000 0.217 172 A C 2.484 179.659 177.584 -0.682 0.000 1.186 172 A CA 1.509 53.296 52.037 -0.417 0.000 0.624 172 A CB -0.502 18.319 19.000 -0.298 0.000 0.822 172 A HN 0.367 nan 8.150 nan 0.000 0.444 173 L N -0.724 120.240 121.223 -0.432 0.000 2.079 173 L HA -0.187 4.153 4.340 0.001 0.000 0.210 173 L C 2.793 179.469 176.870 -0.324 0.000 1.081 173 L CA 1.823 56.464 54.840 -0.332 0.000 0.752 173 L CB -1.008 40.928 42.059 -0.205 0.000 0.896 173 L HN 0.383 nan 8.230 nan 0.000 0.433 174 T N -0.847 113.523 114.554 -0.307 0.000 2.708 174 T HA -0.199 4.152 4.350 0.001 0.000 0.266 174 T C 2.033 176.523 174.700 -0.350 0.000 1.037 174 T CA 1.207 63.105 62.100 -0.338 0.000 1.146 174 T CB -0.174 68.575 68.868 -0.198 0.000 0.865 174 T HN 0.263 nan 8.240 nan 0.000 0.435 175 R N -0.152 120.175 120.500 -0.289 0.000 2.152 175 R HA -0.056 4.285 4.340 0.001 0.000 0.232 175 R C 2.240 178.488 176.300 -0.086 0.000 1.117 175 R CA 1.287 57.277 56.100 -0.184 0.000 0.981 175 R CB -0.228 29.962 30.300 -0.183 0.000 0.870 175 R HN 0.656 nan 8.270 nan 0.000 0.451 176 H N -0.924 118.075 119.070 -0.118 0.000 2.436 176 H HA 0.051 4.608 4.556 0.001 0.000 0.294 176 H C 2.055 177.329 175.328 -0.090 0.000 1.048 176 H CA 0.540 56.536 56.048 -0.087 0.000 1.353 176 H CB 0.245 29.957 29.762 -0.084 0.000 1.414 176 H HN 0.086 nan 8.280 nan 0.000 0.536 177 R N 0.747 121.192 120.500 -0.093 0.000 2.096 177 R HA -0.155 4.186 4.340 0.001 0.000 0.235 177 R C 2.327 178.626 176.300 -0.002 0.000 1.127 177 R CA 1.250 57.254 56.100 -0.161 0.000 0.968 177 R CB -0.156 29.772 30.300 -0.620 0.000 0.861 177 R HN 0.428 nan 8.270 nan 0.000 0.440 178 Q N 0.963 120.732 119.800 -0.051 0.000 2.050 178 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 178 Q C 2.070 178.162 176.000 0.154 0.000 0.980 178 Q CA 1.541 57.463 55.803 0.199 0.000 0.840 178 Q CB 0.113 28.920 28.738 0.115 0.000 0.898 178 Q HN 0.276 nan 8.270 nan 0.000 0.424 179 R N -0.311 120.252 120.500 0.105 0.000 2.081 179 R HA -0.137 4.204 4.340 0.001 0.000 0.235 179 R C 2.283 178.647 176.300 0.105 0.000 1.131 179 R CA 1.061 57.219 56.100 0.097 0.000 0.960 179 R CB -0.258 30.096 30.300 0.090 0.000 0.856 179 R HN 0.212 nan 8.270 nan 0.000 0.436 180 L N 1.243 122.537 121.223 0.119 0.000 2.131 180 L HA -0.186 4.155 4.340 0.001 0.000 0.210 180 L C 2.408 179.362 176.870 0.139 0.000 1.092 180 L CA 1.690 56.615 54.840 0.142 0.000 0.759 180 L CB -0.801 41.346 42.059 0.146 0.000 0.903 180 L HN 0.243 nan 8.230 nan 0.000 0.435 181 Q N -0.648 119.246 119.800 0.157 0.000 2.083 181 Q HA -0.190 4.150 4.340 0.001 0.000 0.198 181 Q C 1.948 178.002 176.000 0.091 0.000 0.969 181 Q CA 1.483 57.370 55.803 0.140 0.000 0.838 181 Q CB 0.113 28.970 28.738 0.198 0.000 0.900 181 Q HN 0.565 nan 8.270 nan 0.000 0.436 182 E N 0.173 120.427 120.200 0.091 0.000 2.204 182 E HA -0.174 4.177 4.350 0.001 0.000 0.194 182 E C 1.821 178.446 176.600 0.043 0.000 0.989 182 E CA 1.031 57.466 56.400 0.059 0.000 0.824 182 E CB -0.020 29.715 29.700 0.059 0.000 0.756 182 E HN 0.380 nan 8.360 nan 0.000 0.477 183 L N -1.141 120.115 121.223 0.055 0.000 2.529 183 L HA 0.240 4.581 4.340 0.001 0.000 0.223 183 L C 2.081 178.960 176.870 0.015 0.000 1.113 183 L CA 0.776 55.638 54.840 0.038 0.000 0.861 183 L CB -0.289 41.813 42.059 0.072 0.000 1.012 183 L HN -0.182 nan 8.230 nan 0.000 0.461 184 R N 1.515 122.032 120.500 0.028 0.000 2.094 184 R HA -0.107 4.234 4.340 0.001 0.000 0.239 184 R C -0.369 175.916 176.300 -0.025 0.000 1.137 184 R CA 2.498 58.599 56.100 0.002 0.000 0.943 184 R CB -1.535 28.778 30.300 0.022 0.000 0.850 184 R HN 0.430 nan 8.270 nan 0.000 0.433 185 P HA -0.167 nan 4.420 nan 0.000 0.222 185 P C 0.673 177.943 177.300 -0.049 0.000 1.147 185 P CA 1.346 64.430 63.100 -0.027 0.000 0.790 185 P CB -0.060 31.630 31.700 -0.016 0.000 0.780 186 R N -0.740 119.724 120.500 -0.060 0.000 2.080 186 R HA 0.015 4.356 4.340 0.001 0.000 0.222 186 R C 2.402 178.606 176.300 -0.160 0.000 1.107 186 R CA 0.500 56.541 56.100 -0.099 0.000 0.980 186 R CB -0.611 29.642 30.300 -0.078 0.000 0.879 186 R HN 0.077 nan 8.270 nan 0.000 0.439 187 L N 0.954 122.093 121.223 -0.140 0.000 2.068 187 L HA 0.038 4.379 4.340 0.001 0.000 0.204 187 L C 0.626 177.392 176.870 -0.173 0.000 1.076 187 L CA 1.461 56.186 54.840 -0.192 0.000 0.753 187 L CB -0.096 41.850 42.059 -0.187 0.000 0.910 187 L HN 0.061 nan 8.230 nan 0.000 0.439 188 L N 2.243 123.399 121.223 -0.112 0.000 2.416 188 L HA 0.176 4.516 4.340 0.001 0.000 0.243 188 L C -0.456 176.402 176.870 -0.021 0.000 1.373 188 L CA -0.541 54.263 54.840 -0.061 0.000 1.227 188 L CB -0.856 41.174 42.059 -0.047 0.000 1.428 188 L HN 0.101 nan 8.230 nan 0.000 0.425 189 V N -0.689 119.224 119.914 -0.000 0.000 2.960 189 V HA 0.561 4.682 4.120 0.001 0.000 0.315 189 V C -0.265 175.968 176.094 0.231 0.000 1.087 189 V CA -1.236 61.109 62.300 0.075 0.000 0.982 189 V CB 2.434 34.261 31.823 0.006 0.000 1.039 189 V HN 0.273 nan 8.190 nan 0.000 0.437 190 L N 1.831 123.196 121.223 0.236 0.000 2.418 190 L HA 0.635 4.976 4.340 0.001 0.000 0.265 190 L C -0.030 177.034 176.870 0.322 0.000 1.143 190 L CA 0.161 55.148 54.840 0.246 0.000 0.809 190 L CB 1.279 43.440 42.059 0.171 0.000 1.124 190 L HN 0.980 nan 8.230 nan 0.000 0.456 191 Q N 3.605 123.495 119.800 0.151 0.000 2.456 191 Q HA 0.393 4.734 4.340 0.001 0.000 0.252 191 Q C -1.976 174.048 176.000 0.040 0.000 1.042 191 Q CA -0.028 55.682 55.803 -0.155 0.000 0.766 191 Q CB 0.548 28.980 28.738 -0.510 0.000 1.196 191 Q HN 0.525 nan 8.270 nan 0.000 0.504 192 F N 2.823 122.704 119.950 -0.115 0.000 2.902 192 F HA 0.665 5.193 4.527 0.001 0.000 0.368 192 F C 0.245 176.019 175.800 -0.043 0.000 1.202 192 F CA -0.611 57.385 58.000 -0.007 0.000 1.109 192 F CB 1.449 40.499 39.000 0.083 0.000 1.418 192 F HN 0.538 nan 8.300 nan 0.000 0.527 193 G N 2.085 110.737 108.800 -0.247 0.000 3.040 193 G HA2 0.442 4.402 3.960 0.001 0.000 0.214 193 G HA3 0.442 4.402 3.960 0.001 0.000 0.214 193 G C 0.564 175.359 174.900 -0.176 0.000 1.093 193 G CA 0.347 45.318 45.100 -0.214 0.000 0.931 193 G HN 1.378 nan 8.290 nan 0.000 0.632 194 G N -0.196 108.485 108.800 -0.199 0.000 2.888 194 G HA2 0.220 4.181 3.960 0.001 0.000 0.441 194 G HA3 0.220 4.181 3.960 0.001 0.000 0.441 194 G C 1.286 176.112 174.900 -0.124 0.000 1.461 194 G CA 0.561 45.550 45.100 -0.186 0.000 0.897 194 G HN 1.416 nan 8.290 nan 0.000 0.547 195 A N -0.359 122.392 122.820 -0.115 0.000 1.941 195 A HA -0.179 4.142 4.320 0.001 0.000 0.233 195 A C 2.477 179.987 177.584 -0.123 0.000 1.649 195 A CA 4.222 56.194 52.037 -0.108 0.000 0.726 195 A CB -0.870 18.090 19.000 -0.067 0.000 0.843 195 A HN 2.639 nan 8.150 nan 0.000 0.511 196 S N -3.706 111.947 115.700 -0.080 0.000 2.846 196 S HA 0.476 4.946 4.470 0.001 0.000 0.249 196 S C 1.135 175.738 174.600 0.005 0.000 1.028 196 S CA 0.898 59.068 58.200 -0.049 0.000 1.043 196 S CB 0.137 63.309 63.200 -0.047 0.000 0.990 196 S HN 2.306 nan 8.310 nan 0.000 0.564 197 G N 1.870 110.690 108.800 0.034 0.000 2.148 197 G HA2 -0.351 3.609 3.960 0.001 0.000 0.254 197 G HA3 -0.351 3.609 3.960 0.001 0.000 0.254 197 G C 0.909 175.779 174.900 -0.051 0.000 0.981 197 G CA 0.687 45.799 45.100 0.020 0.000 0.670 197 G HN 1.361 nan 8.290 nan 0.000 0.528 198 S N -1.099 114.566 115.700 -0.059 0.000 2.486 198 S HA 0.368 4.838 4.470 0.001 0.000 0.220 198 S C 1.441 175.990 174.600 -0.085 0.000 1.011 198 S CA 0.930 59.094 58.200 -0.059 0.000 0.921 198 S CB 0.260 63.433 63.200 -0.046 0.000 0.785 198 S HN 1.319 nan 8.310 nan 0.000 0.517 199 L N 0.065 121.209 121.223 -0.132 0.000 4.179 199 L HA -0.274 4.067 4.340 0.001 0.000 0.418 199 L C 1.610 178.417 176.870 -0.105 0.000 1.168 199 L CA 0.291 55.020 54.840 -0.185 0.000 0.972 199 L CB -1.988 39.945 42.059 -0.210 0.000 2.005 199 L HN 0.446 nan 8.230 nan 0.000 0.935 200 A N -0.765 122.010 122.820 -0.075 0.000 1.940 200 A HA 0.015 4.336 4.320 0.001 0.000 0.219 200 A C 2.357 179.918 177.584 -0.038 0.000 1.176 200 A CA 2.212 54.221 52.037 -0.046 0.000 0.631 200 A CB -0.476 18.501 19.000 -0.038 0.000 0.814 200 A HN 1.002 nan 8.150 nan 0.000 0.446 201 A N -0.631 122.161 122.820 -0.047 0.000 2.076 201 A HA -0.008 4.313 4.320 0.001 0.000 0.220 201 A C 1.889 179.465 177.584 -0.013 0.000 1.160 201 A CA 1.406 53.426 52.037 -0.029 0.000 0.653 201 A CB -0.470 18.511 19.000 -0.033 0.000 0.801 201 A HN 0.503 nan 8.150 nan 0.000 0.455 202 L N -1.709 119.505 121.223 -0.016 0.000 2.592 202 L HA 0.231 4.571 4.340 0.001 0.000 0.227 202 L C 1.754 178.632 176.870 0.014 0.000 1.127 202 L CA 0.171 55.019 54.840 0.014 0.000 0.884 202 L CB -0.755 41.326 42.059 0.036 0.000 1.065 202 L HN 0.592 nan 8.230 nan 0.000 0.457 203 G N 1.359 110.159 108.800 0.001 0.000 2.596 203 G HA2 -0.437 3.523 3.960 0.001 0.000 0.295 203 G HA3 -0.437 3.523 3.960 0.001 0.000 0.295 203 G C 0.915 175.820 174.900 0.009 0.000 1.240 203 G CA 0.674 45.776 45.100 0.003 0.000 0.985 203 G HN 0.422 nan 8.290 nan 0.000 0.555 204 S N -0.022 115.685 115.700 0.012 0.000 2.561 204 S HA 0.132 4.602 4.470 0.001 0.000 0.225 204 S C 1.583 176.197 174.600 0.023 0.000 0.977 204 S CA 1.554 59.763 58.200 0.015 0.000 0.926 204 S CB 0.208 63.415 63.200 0.012 0.000 0.769 204 S HN 0.553 nan 8.310 nan 0.000 0.533 205 K N 1.260 121.677 120.400 0.028 0.000 2.404 205 K HA 0.414 4.734 4.320 0.001 0.000 0.194 205 K C 1.899 178.536 176.600 0.061 0.000 1.023 205 K CA 0.582 56.892 56.287 0.038 0.000 1.094 205 K CB -0.420 32.102 32.500 0.036 0.000 0.841 205 K HN 0.444 nan 8.250 nan 0.000 0.523 206 A N 1.877 124.732 122.820 0.058 0.000 1.842 206 A HA -0.203 4.118 4.320 0.001 0.000 0.217 206 A C 2.137 179.794 177.584 0.120 0.000 1.206 206 A CA 1.586 53.674 52.037 0.084 0.000 0.630 206 A CB -0.338 18.682 19.000 0.033 0.000 0.839 206 A HN 0.111 nan 8.150 nan 0.000 0.447 207 M N -0.698 118.949 119.600 0.078 0.000 2.108 207 M HA -0.081 4.399 4.480 0.001 0.000 0.261 207 M C -0.269 176.071 176.300 0.067 0.000 1.066 207 M CA 1.631 56.977 55.300 0.076 0.000 1.107 207 M CB -2.467 30.162 32.600 0.049 0.000 1.356 207 M HN 0.176 nan 8.290 nan 0.000 0.406 208 P HA -0.080 nan 4.420 nan 0.000 0.215 208 P C 1.984 179.298 177.300 0.024 0.000 1.157 208 P CA 1.077 64.195 63.100 0.030 0.000 0.863 208 P CB -0.053 31.662 31.700 0.023 0.000 0.787 209 V N 0.075 120.018 119.914 0.048 0.000 2.343 209 V HA -0.250 3.870 4.120 0.001 0.000 0.247 209 V C 2.442 178.516 176.094 -0.034 0.000 1.051 209 V CA 2.165 64.476 62.300 0.017 0.000 1.036 209 V CB -1.746 30.134 31.823 0.095 0.000 0.654 209 V HN 0.093 nan 8.190 nan 0.000 0.451 210 A N 0.077 122.954 122.820 0.094 0.000 1.865 210 A HA -0.268 4.053 4.320 0.001 0.000 0.217 210 A C 2.185 179.767 177.584 -0.003 0.000 1.191 210 A CA 2.080 54.173 52.037 0.093 0.000 0.623 210 A CB -0.529 18.621 19.000 0.251 0.000 0.826 210 A HN 0.638 nan 8.150 nan 0.000 0.444 211 E N -0.231 119.980 120.200 0.018 0.000 2.077 211 E HA -0.121 4.229 4.350 0.001 0.000 0.193 211 E C 2.350 178.932 176.600 -0.030 0.000 0.989 211 E CA 0.940 57.342 56.400 0.002 0.000 0.800 211 E CB -0.361 29.346 29.700 0.012 0.000 0.746 211 E HN 0.612 nan 8.360 nan 0.000 0.452 212 A N 1.755 124.548 122.820 -0.046 0.000 1.883 212 A HA -0.188 4.133 4.320 0.001 0.000 0.217 212 A C 2.226 179.749 177.584 -0.102 0.000 1.186 212 A CA 1.217 53.215 52.037 -0.065 0.000 0.624 212 A CB -0.609 18.349 19.000 -0.069 0.000 0.822 212 A HN 0.216 nan 8.150 nan 0.000 0.444 213 L N -0.178 120.947 121.223 -0.163 0.000 2.017 213 L HA -0.089 4.251 4.340 0.001 0.000 0.208 213 L C 2.685 179.476 176.870 -0.131 0.000 1.073 213 L CA 2.267 56.970 54.840 -0.228 0.000 0.745 213 L CB -1.051 40.743 42.059 -0.442 0.000 0.894 213 L HN 0.369 nan 8.230 nan 0.000 0.432 214 A N -0.735 122.037 122.820 -0.080 0.000 1.865 214 A HA -0.298 4.023 4.320 0.001 0.000 0.217 214 A C 2.343 179.914 177.584 -0.021 0.000 1.191 214 A CA 1.915 53.940 52.037 -0.021 0.000 0.623 214 A CB -0.900 18.104 19.000 0.008 0.000 0.826 214 A HN 0.623 nan 8.150 nan 0.000 0.444 215 E N -0.874 119.310 120.200 -0.028 0.000 2.085 215 E HA -0.265 4.085 4.350 0.001 0.000 0.194 215 E C 2.153 178.735 176.600 -0.030 0.000 0.994 215 E CA 1.327 57.713 56.400 -0.024 0.000 0.801 215 E CB -0.138 29.547 29.700 -0.024 0.000 0.743 215 E HN 0.574 nan 8.360 nan 0.000 0.453 216 Q N 0.032 119.803 119.800 -0.049 0.000 2.096 216 Q HA -0.138 4.202 4.340 0.001 0.000 0.204 216 Q C 2.254 178.231 176.000 -0.038 0.000 0.982 216 Q CA 1.150 56.921 55.803 -0.053 0.000 0.850 216 Q CB -0.096 28.589 28.738 -0.088 0.000 0.901 216 Q HN 0.417 nan 8.270 nan 0.000 0.422 217 L N 0.063 121.268 121.223 -0.030 0.000 2.592 217 L HA 0.074 4.415 4.340 0.001 0.000 0.227 217 L C 0.264 177.135 176.870 0.001 0.000 1.127 217 L CA 0.030 54.866 54.840 -0.007 0.000 0.884 217 L CB 0.098 42.168 42.059 0.018 0.000 1.065 217 L HN 0.132 nan 8.230 nan 0.000 0.457 218 K N 0.843 121.240 120.400 -0.005 0.000 3.125 218 K HA -0.160 4.160 4.320 0.001 0.000 0.268 218 K C -0.616 175.987 176.600 0.005 0.000 1.078 218 K CA 0.462 56.747 56.287 -0.002 0.000 0.775 218 K CB -1.587 30.911 32.500 -0.004 0.000 1.253 218 K HN 0.279 nan 8.250 nan 0.000 0.486 219 L N -0.047 121.184 121.223 0.012 0.000 2.341 219 L HA 0.394 4.734 4.340 0.001 0.000 0.267 219 L C 0.779 177.665 176.870 0.025 0.000 1.009 219 L CA -1.007 53.847 54.840 0.024 0.000 0.819 219 L CB 2.084 44.172 42.059 0.049 0.000 1.323 219 L HN -0.051 nan 8.230 nan 0.000 0.425 220 T N 1.811 116.379 114.554 0.025 0.000 2.868 220 T HA 0.313 4.663 4.350 0.001 0.000 0.292 220 T C -0.401 174.329 174.700 0.050 0.000 1.028 220 T CA -0.288 61.827 62.100 0.025 0.000 1.059 220 T CB 1.175 70.049 68.868 0.009 0.000 0.991 220 T HN 0.203 nan 8.240 nan 0.000 0.531 221 L N 5.365 126.618 121.223 0.050 0.000 2.264 221 L HA 0.443 4.783 4.340 0.001 0.000 0.289 221 L C -1.972 174.940 176.870 0.071 0.000 1.044 221 L CA -1.898 52.987 54.840 0.075 0.000 0.807 221 L CB 0.530 42.627 42.059 0.063 0.000 1.192 221 L HN 0.404 nan 8.230 nan 0.000 0.425 222 P HA 0.105 nan 4.420 nan 0.000 0.274 222 P C 0.073 177.415 177.300 0.071 0.000 1.246 222 P CA -0.324 62.825 63.100 0.081 0.000 0.795 222 P CB 0.616 32.406 31.700 0.150 0.000 1.006 223 E N 1.253 121.480 120.200 0.045 0.000 2.160 223 E HA -0.192 4.159 4.350 0.001 0.000 0.195 223 E C 0.256 176.885 176.600 0.049 0.000 0.991 223 E CA 1.449 57.872 56.400 0.038 0.000 0.810 223 E CB 0.017 29.730 29.700 0.022 0.000 0.742 223 E HN 0.744 nan 8.360 nan 0.000 0.466 224 Q N -1.069 118.774 119.800 0.071 0.000 2.633 224 Q HA 0.562 4.903 4.340 0.001 0.000 0.289 224 Q C -3.086 172.973 176.000 0.098 0.000 0.940 224 Q CA -2.198 53.641 55.803 0.061 0.000 0.785 224 Q CB 1.225 29.985 28.738 0.037 0.000 1.467 224 Q HN -0.238 nan 8.270 nan 0.000 0.401 225 P HA 0.024 nan 4.420 nan 0.000 0.270 225 P C -0.724 176.510 177.300 -0.110 0.000 1.223 225 P CA -0.088 62.905 63.100 -0.179 0.000 0.785 225 P CB 0.218 31.684 31.700 -0.390 0.000 0.923 226 W N 1.790 122.901 121.300 -0.314 0.000 1.340 226 W HA 0.254 4.914 4.660 0.001 0.000 0.301 226 W C 0.121 176.530 176.519 -0.185 0.000 0.834 226 W CA -0.247 56.980 57.345 -0.196 0.000 2.473 226 W CB -1.495 27.903 29.460 -0.104 0.000 1.837 226 W HN 0.413 nan 8.180 nan 0.000 0.528 227 H N 1.696 120.603 119.070 -0.272 0.000 2.390 227 H HA -0.124 4.432 4.556 0.001 0.000 0.298 227 H C 1.687 176.872 175.328 -0.238 0.000 1.106 227 H CA 2.585 58.412 56.048 -0.368 0.000 1.297 227 H CB -0.432 29.116 29.762 -0.356 0.000 1.375 227 H HN 0.253 nan 8.280 nan 0.000 0.509 228 T N -1.842 112.725 114.554 0.021 0.000 3.252 228 T HA 0.162 4.513 4.350 0.001 0.000 0.286 228 T C 0.305 175.053 174.700 0.081 0.000 1.013 228 T CA -0.465 61.652 62.100 0.028 0.000 0.914 228 T CB 0.542 69.418 68.868 0.014 0.000 1.131 228 T HN -0.053 nan 8.240 nan 0.000 0.529 229 Q N 1.854 121.742 119.800 0.147 0.000 2.508 229 Q HA 0.381 4.722 4.340 0.001 0.000 0.247 229 Q C 0.139 176.267 176.000 0.213 0.000 1.047 229 Q CA -0.366 55.525 55.803 0.147 0.000 0.783 229 Q CB 1.331 30.154 28.738 0.141 0.000 1.172 229 Q HN 0.309 nan 8.270 nan 0.000 0.515 230 R N 1.266 121.859 120.500 0.155 0.000 2.388 230 R HA 0.011 4.352 4.340 0.001 0.000 0.247 230 R C 0.811 177.127 176.300 0.027 0.000 0.931 230 R CA 0.024 56.221 56.100 0.162 0.000 1.082 230 R CB 0.217 30.618 30.300 0.168 0.000 1.135 230 R HN 0.542 nan 8.270 nan 0.000 0.525 231 D N 1.226 121.616 120.400 -0.018 0.000 2.158 231 D HA -0.239 4.402 4.640 0.001 0.000 0.197 231 D C 1.419 177.656 176.300 -0.105 0.000 0.995 231 D CA 0.959 54.920 54.000 -0.064 0.000 0.846 231 D CB -0.109 40.664 40.800 -0.045 0.000 0.941 231 D HN 0.190 nan 8.370 nan 0.000 0.456 232 R N 0.198 120.591 120.500 -0.180 0.000 2.083 232 R HA -0.031 4.309 4.340 0.001 0.000 0.237 232 R C 2.791 179.023 176.300 -0.114 0.000 1.137 232 R CA 1.179 57.142 56.100 -0.228 0.000 0.951 232 R CB -0.322 29.675 30.300 -0.505 0.000 0.851 232 R HN 0.288 nan 8.270 nan 0.000 0.434 233 L N -0.008 121.176 121.223 -0.065 0.000 2.109 233 L HA -0.109 4.232 4.340 0.001 0.000 0.207 233 L C 2.335 179.226 176.870 0.035 0.000 1.086 233 L CA 0.755 55.629 54.840 0.057 0.000 0.760 233 L CB -0.403 41.739 42.059 0.139 0.000 0.910 233 L HN 0.031 nan 8.230 nan 0.000 0.437 234 V N 0.186 120.050 119.914 -0.082 0.000 2.427 234 V HA -0.255 3.866 4.120 0.001 0.000 0.248 234 V C 2.489 178.450 176.094 -0.223 0.000 1.051 234 V CA 1.883 64.029 62.300 -0.257 0.000 1.048 234 V CB -0.470 31.078 31.823 -0.460 0.000 0.666 234 V HN 0.527 nan 8.190 nan 0.000 0.456 235 E N 0.094 120.232 120.200 -0.103 0.000 2.077 235 E HA -0.272 4.078 4.350 0.001 0.000 0.193 235 E C 2.134 178.751 176.600 0.027 0.000 0.989 235 E CA 1.551 57.932 56.400 -0.032 0.000 0.800 235 E CB -0.263 29.435 29.700 -0.003 0.000 0.746 235 E HN 0.509 nan 8.360 nan 0.000 0.452 236 F N 1.416 121.319 119.950 -0.079 0.000 2.126 236 F HA -0.114 4.414 4.527 0.001 0.000 0.299 236 F C 2.085 177.853 175.800 -0.053 0.000 1.096 236 F CA 1.676 59.646 58.000 -0.050 0.000 1.255 236 F CB -0.685 38.296 39.000 -0.032 0.000 0.997 236 F HN 0.117 nan 8.300 nan 0.000 0.479 237 A N -1.018 121.712 122.820 -0.150 0.000 1.933 237 A HA -0.174 4.147 4.320 0.001 0.000 0.218 237 A C 2.381 179.835 177.584 -0.217 0.000 1.175 237 A CA 1.792 53.681 52.037 -0.247 0.000 0.628 237 A CB -1.371 17.551 19.000 -0.131 0.000 0.814 237 A HN 0.468 nan 8.150 nan 0.000 0.444 238 S N -0.557 115.059 115.700 -0.140 0.000 2.368 238 S HA -0.119 4.352 4.470 0.001 0.000 0.224 238 S C 1.884 176.417 174.600 -0.113 0.000 1.029 238 S CA 1.650 59.821 58.200 -0.050 0.000 0.988 238 S CB -0.449 62.778 63.200 0.045 0.000 0.838 238 S HN 0.300 nan 8.310 nan 0.000 0.462 239 V N 1.737 121.555 119.914 -0.160 0.000 2.427 239 V HA -0.077 4.043 4.120 0.001 0.000 0.248 239 V C 2.413 178.323 176.094 -0.306 0.000 1.051 239 V CA 1.280 63.459 62.300 -0.203 0.000 1.048 239 V CB -0.705 31.038 31.823 -0.132 0.000 0.666 239 V HN 0.374 nan 8.190 nan 0.000 0.456 240 L N 1.227 122.227 121.223 -0.371 0.000 2.131 240 L HA -0.065 4.276 4.340 0.001 0.000 0.210 240 L C 2.485 179.201 176.870 -0.256 0.000 1.092 240 L CA 2.174 56.801 54.840 -0.355 0.000 0.759 240 L CB -1.479 40.307 42.059 -0.456 0.000 0.903 240 L HN 0.353 nan 8.230 nan 0.000 0.435 241 G N -1.164 107.508 108.800 -0.213 0.000 2.421 241 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 241 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 241 G C 1.554 176.355 174.900 -0.164 0.000 1.171 241 G CA 0.491 45.503 45.100 -0.146 0.000 0.775 241 G HN 0.236 nan 8.290 nan 0.000 0.543 242 L N 0.632 121.721 121.223 -0.224 0.000 2.042 242 L HA -0.046 4.295 4.340 0.001 0.000 0.210 242 L C 3.144 179.783 176.870 -0.386 0.000 1.076 242 L CA 0.896 55.562 54.840 -0.289 0.000 0.749 242 L CB -0.857 40.965 42.059 -0.394 0.000 0.893 242 L HN 0.113 nan 8.230 nan 0.000 0.432 243 V N -0.544 119.083 119.914 -0.478 0.000 2.343 243 V HA -0.289 3.832 4.120 0.001 0.000 0.247 243 V C 2.695 178.730 176.094 -0.098 0.000 1.051 243 V CA 1.516 63.651 62.300 -0.274 0.000 1.036 243 V CB -1.112 30.591 31.823 -0.200 0.000 0.654 243 V HN 0.508 nan 8.190 nan 0.000 0.451 244 A N 0.555 123.306 122.820 -0.116 0.000 1.883 244 A HA -0.136 4.184 4.320 0.001 0.000 0.217 244 A C 2.441 179.998 177.584 -0.046 0.000 1.186 244 A CA 2.118 54.110 52.037 -0.075 0.000 0.624 244 A CB -1.345 17.598 19.000 -0.095 0.000 0.822 244 A HN 0.528 nan 8.150 nan 0.000 0.444 245 G N -0.765 108.002 108.800 -0.054 0.000 2.446 245 G HA2 -0.185 3.775 3.960 0.001 0.000 0.217 245 G HA3 -0.185 3.775 3.960 0.001 0.000 0.217 245 G C 1.858 176.765 174.900 0.013 0.000 1.168 245 G CA 1.407 46.490 45.100 -0.028 0.000 0.771 245 G HN 0.497 nan 8.290 nan 0.000 0.551 246 S N 0.492 116.224 115.700 0.053 0.000 2.356 246 S HA 0.004 4.475 4.470 0.001 0.000 0.223 246 S C 2.279 176.931 174.600 0.086 0.000 1.032 246 S CA 0.838 59.090 58.200 0.087 0.000 1.005 246 S CB -0.276 63.033 63.200 0.181 0.000 0.867 246 S HN 0.295 nan 8.310 nan 0.000 0.449 247 L N 1.011 122.284 121.223 0.084 0.000 2.275 247 L HA -0.039 4.302 4.340 0.001 0.000 0.215 247 L C 2.610 179.554 176.870 0.124 0.000 1.119 247 L CA 0.933 55.852 54.840 0.133 0.000 0.790 247 L CB -0.942 41.174 42.059 0.095 0.000 0.919 247 L HN 0.415 nan 8.230 nan 0.000 0.443 248 G N -0.286 108.545 108.800 0.052 0.000 2.421 248 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 248 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 248 G C 1.741 176.652 174.900 0.019 0.000 1.143 248 G CA 0.212 45.319 45.100 0.013 0.000 0.784 248 G HN 0.144 nan 8.290 nan 0.000 0.541 249 K N -0.009 120.419 120.400 0.047 0.000 2.062 249 K HA -0.051 4.269 4.320 0.001 0.000 0.205 249 K C 2.111 178.764 176.600 0.088 0.000 1.051 249 K CA 0.676 56.989 56.287 0.044 0.000 0.941 249 K CB -0.394 32.131 32.500 0.042 0.000 0.719 249 K HN 0.251 nan 8.250 nan 0.000 0.440 250 F N 1.469 121.399 119.950 -0.033 0.000 2.102 250 F HA -0.050 4.478 4.527 0.001 0.000 0.298 250 F C 2.045 177.827 175.800 -0.031 0.000 1.105 250 F CA 1.872 59.853 58.000 -0.033 0.000 1.239 250 F CB -0.921 38.062 39.000 -0.028 0.000 0.991 250 F HN 0.086 nan 8.300 nan 0.000 0.474 251 G N -0.249 108.468 108.800 -0.139 0.000 2.422 251 G HA2 -0.324 3.636 3.960 0.001 0.000 0.218 251 G HA3 -0.324 3.636 3.960 0.001 0.000 0.218 251 G C 1.748 176.537 174.900 -0.184 0.000 1.146 251 G CA 0.911 45.874 45.100 -0.230 0.000 0.769 251 G HN 0.350 nan 8.290 nan 0.000 0.547 252 R N 0.884 121.319 120.500 -0.109 0.000 2.062 252 R HA -0.043 4.297 4.340 0.001 0.000 0.231 252 R C 2.096 178.333 176.300 -0.105 0.000 1.136 252 R CA 1.837 57.885 56.100 -0.087 0.000 0.948 252 R CB -0.668 29.600 30.300 -0.054 0.000 0.845 252 R HN 0.196 nan 8.270 nan 0.000 0.430 253 D N 0.278 120.616 120.400 -0.103 0.000 2.133 253 D HA -0.164 4.477 4.640 0.001 0.000 0.195 253 D C 1.815 178.018 176.300 -0.162 0.000 0.997 253 D CA 1.311 55.252 54.000 -0.098 0.000 0.840 253 D CB -0.114 40.664 40.800 -0.037 0.000 0.947 253 D HN 0.227 nan 8.370 nan 0.000 0.452 254 I N 1.082 121.490 120.570 -0.271 0.000 2.179 254 I HA -0.218 3.952 4.170 0.001 0.000 0.242 254 I C 2.565 178.558 176.117 -0.206 0.000 1.088 254 I CA 1.140 62.266 61.300 -0.289 0.000 1.357 254 I CB -1.440 36.314 38.000 -0.410 0.000 1.051 254 I HN 0.031 nan 8.210 nan 0.000 0.409 255 S N 1.276 116.875 115.700 -0.167 0.000 2.383 255 S HA -0.142 4.328 4.470 0.001 0.000 0.229 255 S C 2.077 176.617 174.600 -0.101 0.000 1.030 255 S CA 1.030 59.162 58.200 -0.113 0.000 1.002 255 S CB -0.899 62.253 63.200 -0.080 0.000 0.829 255 S HN 0.446 nan 8.310 nan 0.000 0.467 256 L N 0.395 121.559 121.223 -0.098 0.000 2.156 256 L HA 0.143 4.484 4.340 0.001 0.000 0.208 256 L C 2.468 179.278 176.870 -0.101 0.000 1.095 256 L CA 0.779 55.574 54.840 -0.076 0.000 0.770 256 L CB -0.414 41.613 42.059 -0.054 0.000 0.914 256 L HN 0.312 nan 8.230 nan 0.000 0.439 257 L N -1.170 119.964 121.223 -0.148 0.000 2.313 257 L HA -0.102 4.239 4.340 0.001 0.000 0.214 257 L C 2.270 178.945 176.870 -0.326 0.000 1.119 257 L CA 0.830 55.549 54.840 -0.202 0.000 0.809 257 L CB -0.176 41.757 42.059 -0.210 0.000 0.933 257 L HN 0.335 nan 8.230 nan 0.000 0.449 258 M N -0.886 118.533 119.600 -0.302 0.000 2.561 258 M HA -0.002 4.479 4.480 0.001 0.000 0.238 258 M C 0.534 176.737 176.300 -0.161 0.000 1.131 258 M CA 0.283 55.369 55.300 -0.357 0.000 1.046 258 M CB 0.225 32.704 32.600 -0.202 0.000 1.532 258 M HN 0.228 nan 8.290 nan 0.000 0.497 259 Q N -0.050 119.686 119.800 -0.108 0.000 2.333 259 Q HA -0.061 4.279 4.340 0.001 0.000 0.299 259 Q C 1.075 177.074 176.000 -0.001 0.000 1.067 259 Q CA 0.338 56.122 55.803 -0.031 0.000 0.943 259 Q CB 0.845 29.570 28.738 -0.022 0.000 1.233 259 Q HN 0.240 nan 8.270 nan 0.000 0.401 260 T N 1.626 116.205 114.554 0.042 0.000 2.759 260 T HA -0.160 4.191 4.350 0.001 0.000 0.269 260 T C 1.071 175.803 174.700 0.054 0.000 1.042 260 T CA 1.579 63.720 62.100 0.068 0.000 1.140 260 T CB -0.001 68.910 68.868 0.073 0.000 0.864 260 T HN 0.641 nan 8.240 nan 0.000 0.455 261 E N 1.007 121.228 120.200 0.035 0.000 2.511 261 E HA 0.243 4.593 4.350 0.001 0.000 0.196 261 E C 1.573 178.192 176.600 0.032 0.000 1.066 261 E CA 0.505 56.924 56.400 0.033 0.000 0.871 261 E CB -0.102 29.613 29.700 0.024 0.000 0.863 261 E HN 0.572 nan 8.360 nan 0.000 0.520 262 A N 1.208 124.036 122.820 0.014 0.000 2.042 262 A HA 0.468 4.789 4.320 0.001 0.000 0.204 262 A C 1.762 179.331 177.584 -0.024 0.000 1.712 262 A CA 0.584 52.619 52.037 -0.004 0.000 0.890 262 A CB -0.542 18.434 19.000 -0.039 0.000 1.176 262 A HN 0.290 nan 8.150 nan 0.000 0.573 263 G N 0.442 109.188 108.800 -0.089 0.000 2.393 263 G HA2 -0.268 3.692 3.960 0.001 0.000 0.299 263 G HA3 -0.268 3.692 3.960 0.001 0.000 0.299 263 G C 0.303 175.118 174.900 -0.141 0.000 0.990 263 G CA 0.985 46.022 45.100 -0.105 0.000 1.118 263 G HN 0.663 nan 8.290 nan 0.000 0.513 264 E N -1.779 118.239 120.200 -0.305 0.000 2.244 264 E HA 0.267 4.618 4.350 0.001 0.000 0.196 264 E C 0.740 177.209 176.600 -0.218 0.000 0.939 264 E CA 0.523 56.827 56.400 -0.160 0.000 0.884 264 E CB 0.800 30.434 29.700 -0.110 0.000 0.850 264 E HN 0.351 nan 8.360 nan 0.000 0.481 265 V N 1.000 120.632 119.914 -0.471 0.000 2.876 265 V HA 0.411 4.532 4.120 0.001 0.000 0.312 265 V C -1.269 174.467 176.094 -0.596 0.000 1.085 265 V CA -0.736 61.374 62.300 -0.317 0.000 0.945 265 V CB 1.718 33.423 31.823 -0.197 0.000 1.017 265 V HN 0.025 nan 8.190 nan 0.000 0.428 266 F N 0.482 120.412 119.950 -0.034 0.000 2.599 266 F HA 0.509 5.036 4.527 0.001 0.000 0.311 266 F C 0.383 176.166 175.800 -0.029 0.000 1.076 266 F CA -0.794 57.187 58.000 -0.032 0.000 0.937 266 F CB 1.676 40.665 39.000 -0.019 0.000 1.282 266 F HN 0.386 nan 8.300 nan 0.000 0.460 267 E N 2.292 122.586 120.200 0.156 0.000 2.392 267 E HA 0.203 4.554 4.350 0.001 0.000 0.259 267 E C -2.247 174.415 176.600 0.103 0.000 1.108 267 E CA -1.537 54.915 56.400 0.086 0.000 0.916 267 E CB 0.480 30.211 29.700 0.051 0.000 0.989 267 E HN 0.180 nan 8.360 nan 0.000 0.432 268 P HA -0.066 nan 4.420 nan 0.000 0.272 268 P C -0.762 176.562 177.300 0.040 0.000 1.248 268 P CA 0.166 63.302 63.100 0.059 0.000 0.799 268 P CB 0.465 32.199 31.700 0.057 0.000 0.997 269 S N -0.716 114.998 115.700 0.023 0.000 4.231 269 S HA 0.217 4.687 4.470 0.001 0.000 0.464 269 S C -0.045 174.547 174.600 -0.015 0.000 0.821 269 S CA 0.595 58.799 58.200 0.007 0.000 1.138 269 S CB -2.270 60.936 63.200 0.009 0.000 0.718 269 S HN 1.026 nan 8.310 nan 0.000 0.617 270 A N 1.761 124.566 122.820 -0.024 0.000 6.643 270 A HA -0.006 4.315 4.320 0.001 0.000 0.230 270 A C -2.493 175.031 177.584 -0.099 0.000 2.273 270 A CA 0.116 52.122 52.037 -0.051 0.000 0.690 270 A CB -1.632 17.341 19.000 -0.045 0.000 0.908 270 A HN 0.737 nan 8.150 nan 0.000 0.366 271 P HA 0.290 nan 4.420 nan 0.000 0.231 271 P C 1.162 178.280 177.300 -0.303 0.000 1.210 271 P CA 2.554 65.496 63.100 -0.264 0.000 1.332 271 P CB -0.576 31.002 31.700 -0.204 0.000 1.594 272 G N 0.758 109.366 108.800 -0.321 0.000 4.045 272 G HA2 -0.068 3.893 3.960 0.001 0.000 0.261 272 G HA3 -0.068 3.893 3.960 0.001 0.000 0.261 272 G C -0.129 174.775 174.900 0.007 0.000 1.772 272 G CA 0.019 45.059 45.100 -0.101 0.000 1.264 272 G HN 0.711 nan 8.290 nan 0.000 0.609 273 K N -0.335 120.053 120.400 -0.020 0.000 2.588 273 K HA 0.876 5.197 4.320 0.001 0.000 0.250 273 K C 1.408 177.990 176.600 -0.030 0.000 0.972 273 K CA 1.051 57.330 56.287 -0.013 0.000 0.821 273 K CB 0.844 33.341 32.500 -0.006 0.000 1.249 273 K HN 2.682 nan 8.250 nan 0.000 0.442 274 G N 0.716 109.501 108.800 -0.024 0.000 2.569 274 G HA2 0.145 4.106 3.960 0.001 0.000 0.259 274 G HA3 0.145 4.106 3.960 0.001 0.000 0.259 274 G C 0.888 175.770 174.900 -0.029 0.000 1.263 274 G CA 0.471 45.556 45.100 -0.025 0.000 0.928 274 G HN 2.010 nan 8.290 nan 0.000 0.572 275 G N -0.041 108.745 108.800 -0.024 0.000 2.526 275 G HA2 0.503 4.463 3.960 0.001 0.000 0.293 275 G HA3 0.503 4.463 3.960 0.001 0.000 0.293 275 G C 1.141 176.025 174.900 -0.027 0.000 0.882 275 G CA 1.230 46.316 45.100 -0.023 0.000 1.656 275 G HN 1.965 nan 8.290 nan 0.000 0.474 276 S N 1.878 117.556 115.700 -0.038 0.000 3.110 276 S HA 0.016 4.487 4.470 0.001 0.000 0.253 276 S C 1.868 176.449 174.600 -0.031 0.000 1.074 276 S CA 0.249 58.421 58.200 -0.045 0.000 1.201 276 S CB 0.156 63.311 63.200 -0.075 0.000 0.889 276 S HN 0.562 nan 8.310 nan 0.000 0.490 277 S N 2.346 118.035 115.700 -0.018 0.000 2.502 277 S HA -0.051 4.419 4.470 0.001 0.000 0.219 277 S C 1.440 176.038 174.600 -0.003 0.000 1.064 277 S CA 1.689 59.883 58.200 -0.009 0.000 1.173 277 S CB -1.390 61.808 63.200 -0.002 0.000 1.118 277 S HN 0.846 nan 8.310 nan 0.000 0.406 278 T N 2.660 117.219 114.554 0.009 0.000 3.455 278 T HA 0.413 4.763 4.350 0.001 0.000 0.286 278 T C 1.202 175.918 174.700 0.026 0.000 1.157 278 T CA -0.327 61.785 62.100 0.020 0.000 1.090 278 T CB -0.419 68.467 68.868 0.030 0.000 1.112 278 T HN 0.300 nan 8.240 nan 0.000 0.779 279 M N 2.048 121.656 119.600 0.013 0.000 2.152 279 M HA -0.145 4.335 4.480 0.001 0.000 0.251 279 M C -0.335 175.993 176.300 0.047 0.000 1.080 279 M CA 2.055 57.363 55.300 0.013 0.000 1.079 279 M CB -2.256 30.347 32.600 0.005 0.000 1.317 279 M HN 0.375 nan 8.290 nan 0.000 0.404 280 P HA -0.214 nan 4.420 nan 0.000 0.227 280 P C 1.173 178.564 177.300 0.151 0.000 1.141 280 P CA 2.035 65.191 63.100 0.092 0.000 0.964 280 P CB -0.048 31.699 31.700 0.079 0.000 0.784 281 H N -2.579 116.507 119.070 0.027 0.000 4.873 281 H HA 0.269 4.826 4.556 0.001 0.000 0.150 281 H C 1.577 176.924 175.328 0.031 0.000 1.395 281 H CA 0.204 56.270 56.048 0.029 0.000 0.838 281 H CB -0.333 29.442 29.762 0.021 0.000 1.471 281 H HN -0.397 nan 8.280 nan 0.000 0.374 282 K N -0.882 119.358 120.400 -0.266 0.000 3.566 282 K HA -0.304 4.016 4.320 0.001 0.000 0.205 282 K C 0.917 177.398 176.600 -0.199 0.000 0.854 282 K CA 2.041 58.190 56.287 -0.229 0.000 0.745 282 K CB -1.487 30.982 32.500 -0.053 0.000 1.849 282 K HN 0.657 nan 8.250 nan 0.000 0.578 283 R N 2.542 122.968 120.500 -0.124 0.000 3.641 283 R HA 0.124 4.465 4.340 0.001 0.000 0.189 283 R C 0.115 176.375 176.300 -0.067 0.000 1.706 283 R CA 0.580 56.650 56.100 -0.050 0.000 1.311 283 R CB -1.621 28.695 30.300 0.028 0.000 1.330 283 R HN 0.446 nan 8.270 nan 0.000 0.727 284 N N 3.162 121.786 118.700 -0.127 0.000 2.499 284 N HA 0.217 4.957 4.740 0.001 0.000 0.281 284 N C -2.254 173.243 175.510 -0.022 0.000 1.098 284 N CA -1.700 51.285 53.050 -0.108 0.000 0.979 284 N CB 1.823 40.224 38.487 -0.144 0.000 1.121 284 N HN 0.339 nan 8.380 nan 0.000 0.466 285 P HA 0.014 nan 4.420 nan 0.000 0.231 285 P C 1.065 178.392 177.300 0.046 0.000 1.811 285 P CA -0.109 62.998 63.100 0.012 0.000 1.051 285 P CB 0.104 31.795 31.700 -0.016 0.000 1.951 286 V N 1.262 121.218 119.914 0.071 0.000 2.594 286 V HA -0.058 4.063 4.120 0.001 0.000 0.253 286 V C 2.072 178.302 176.094 0.226 0.000 1.069 286 V CA 2.142 64.535 62.300 0.156 0.000 1.082 286 V CB -1.621 30.265 31.823 0.104 0.000 0.680 286 V HN 0.294 nan 8.190 nan 0.000 0.469 287 G N -0.071 108.809 108.800 0.133 0.000 2.394 287 G HA2 -0.032 3.929 3.960 0.001 0.000 0.214 287 G HA3 -0.032 3.929 3.960 0.001 0.000 0.214 287 G C 1.754 176.677 174.900 0.039 0.000 1.176 287 G CA 0.929 46.092 45.100 0.105 0.000 0.786 287 G HN 0.868 nan 8.290 nan 0.000 0.533 288 A N 1.265 124.081 122.820 -0.007 0.000 1.978 288 A HA 0.206 4.527 4.320 0.001 0.000 0.220 288 A C 2.778 180.346 177.584 -0.026 0.000 1.170 288 A CA 2.226 54.228 52.037 -0.058 0.000 0.636 288 A CB -0.730 18.211 19.000 -0.098 0.000 0.810 288 A HN 0.794 nan 8.150 nan 0.000 0.448 289 A N -0.501 122.334 122.820 0.025 0.000 1.908 289 A HA -0.055 4.266 4.320 0.001 0.000 0.218 289 A C 2.229 179.807 177.584 -0.009 0.000 1.181 289 A CA 1.923 53.984 52.037 0.041 0.000 0.627 289 A CB -0.927 18.158 19.000 0.142 0.000 0.818 289 A HN 0.421 nan 8.150 nan 0.000 0.445 290 V N 0.322 120.210 119.914 -0.043 0.000 2.295 290 V HA -0.251 3.869 4.120 0.001 0.000 0.246 290 V C 2.556 178.594 176.094 -0.093 0.000 1.049 290 V CA 1.911 64.141 62.300 -0.117 0.000 1.024 290 V CB -0.786 30.943 31.823 -0.157 0.000 0.648 290 V HN 0.579 nan 8.190 nan 0.000 0.447 291 L N -0.632 120.560 121.223 -0.052 0.000 2.046 291 L HA -0.163 4.177 4.340 0.001 0.000 0.208 291 L C 2.391 179.225 176.870 -0.060 0.000 1.077 291 L CA 1.700 56.518 54.840 -0.038 0.000 0.747 291 L CB -0.624 41.433 42.059 -0.004 0.000 0.896 291 L HN 0.282 nan 8.230 nan 0.000 0.432 292 I N 0.100 120.631 120.570 -0.065 0.000 2.315 292 I HA -0.151 4.020 4.170 0.001 0.000 0.248 292 I C 2.684 178.742 176.117 -0.098 0.000 1.117 292 I CA 1.221 62.479 61.300 -0.069 0.000 1.404 292 I CB -0.828 37.137 38.000 -0.057 0.000 1.071 292 I HN 0.244 nan 8.210 nan 0.000 0.419 293 G N 0.807 109.529 108.800 -0.129 0.000 2.421 293 G HA2 -0.257 3.703 3.960 0.001 0.000 0.216 293 G HA3 -0.257 3.703 3.960 0.001 0.000 0.216 293 G C 1.887 176.653 174.900 -0.222 0.000 1.171 293 G CA 0.883 45.861 45.100 -0.204 0.000 0.775 293 G HN 0.479 nan 8.290 nan 0.000 0.543 294 A N 1.175 123.872 122.820 -0.204 0.000 1.902 294 A HA 0.262 4.582 4.320 0.001 0.000 0.217 294 A C 2.765 180.271 177.584 -0.130 0.000 1.181 294 A CA 2.255 54.187 52.037 -0.176 0.000 0.623 294 A CB -0.772 18.147 19.000 -0.135 0.000 0.818 294 A HN 0.879 nan 8.150 nan 0.000 0.443 295 A N -1.314 121.446 122.820 -0.102 0.000 2.121 295 A HA 0.024 4.345 4.320 0.001 0.000 0.218 295 A C 2.100 179.633 177.584 -0.085 0.000 1.154 295 A CA 1.999 53.987 52.037 -0.080 0.000 0.679 295 A CB -0.726 18.239 19.000 -0.059 0.000 0.795 295 A HN 0.445 nan 8.150 nan 0.000 0.458 296 T N -1.191 113.302 114.554 -0.101 0.000 3.010 296 T HA 0.034 4.385 4.350 0.001 0.000 0.252 296 T C 2.066 176.704 174.700 -0.102 0.000 1.047 296 T CA 0.524 62.567 62.100 -0.096 0.000 1.140 296 T CB -0.029 68.779 68.868 -0.100 0.000 0.885 296 T HN 0.393 nan 8.240 nan 0.000 0.464 297 R N 0.797 121.219 120.500 -0.129 0.000 2.080 297 R HA 0.111 4.451 4.340 0.001 0.000 0.222 297 R C 2.480 178.718 176.300 -0.103 0.000 1.107 297 R CA 0.681 56.704 56.100 -0.129 0.000 0.980 297 R CB -0.913 29.279 30.300 -0.179 0.000 0.879 297 R HN 0.250 nan 8.270 nan 0.000 0.439 298 V N 2.019 121.871 119.914 -0.105 0.000 2.332 298 V HA -0.172 3.948 4.120 0.001 0.000 0.248 298 V C -0.871 175.186 176.094 -0.061 0.000 1.055 298 V CA 1.912 64.159 62.300 -0.088 0.000 1.038 298 V CB -1.336 30.428 31.823 -0.098 0.000 0.651 298 V HN 0.201 nan 8.190 nan 0.000 0.450 299 P HA -0.166 nan 4.420 nan 0.000 0.216 299 P C 1.713 179.000 177.300 -0.020 0.000 1.153 299 P CA 2.012 65.091 63.100 -0.036 0.000 0.858 299 P CB -0.334 31.338 31.700 -0.047 0.000 0.789 300 G N -0.479 108.301 108.800 -0.033 0.000 2.402 300 G HA2 -0.200 3.760 3.960 0.001 0.000 0.216 300 G HA3 -0.200 3.760 3.960 0.001 0.000 0.216 300 G C 1.481 176.375 174.900 -0.011 0.000 1.162 300 G CA 0.458 45.544 45.100 -0.023 0.000 0.777 300 G HN 0.226 nan 8.290 nan 0.000 0.539 301 L N -0.503 120.705 121.223 -0.026 0.000 2.093 301 L HA 0.006 4.347 4.340 0.001 0.000 0.208 301 L C 2.741 179.611 176.870 -0.001 0.000 1.085 301 L CA 0.201 55.026 54.840 -0.024 0.000 0.755 301 L CB -0.339 41.690 42.059 -0.051 0.000 0.904 301 L HN 0.140 nan 8.230 nan 0.000 0.435 302 L N -0.173 121.061 121.223 0.018 0.000 2.056 302 L HA -0.184 4.157 4.340 0.001 0.000 0.207 302 L C 2.890 179.883 176.870 0.205 0.000 1.078 302 L CA 1.975 56.861 54.840 0.077 0.000 0.749 302 L CB -0.563 41.559 42.059 0.106 0.000 0.901 302 L HN 0.347 nan 8.230 nan 0.000 0.433 303 S N -2.843 112.959 115.700 0.170 0.000 2.419 303 S HA -0.178 4.293 4.470 0.001 0.000 0.233 303 S C 1.920 176.617 174.600 0.162 0.000 1.016 303 S CA 1.479 59.798 58.200 0.198 0.000 0.974 303 S CB -0.885 62.353 63.200 0.064 0.000 0.786 303 S HN 0.429 nan 8.310 nan 0.000 0.492 304 T N 3.087 117.692 114.554 0.085 0.000 2.708 304 T HA 0.101 4.451 4.350 0.001 0.000 0.266 304 T C 1.684 176.415 174.700 0.052 0.000 1.037 304 T CA 1.476 63.606 62.100 0.050 0.000 1.146 304 T CB -0.513 68.364 68.868 0.015 0.000 0.865 304 T HN 0.338 nan 8.240 nan 0.000 0.435 305 L N -0.467 120.772 121.223 0.027 0.000 2.083 305 L HA -0.038 4.303 4.340 0.001 0.000 0.209 305 L C 2.285 179.121 176.870 -0.056 0.000 1.083 305 L CA 1.343 56.162 54.840 -0.036 0.000 0.752 305 L CB -0.593 41.399 42.059 -0.112 0.000 0.899 305 L HN 0.233 nan 8.230 nan 0.000 0.433 306 F N 0.102 120.058 119.950 0.011 0.000 2.102 306 F HA -0.210 4.318 4.527 0.001 0.000 0.298 306 F C 2.651 178.458 175.800 0.011 0.000 1.105 306 F CA 1.262 59.268 58.000 0.009 0.000 1.239 306 F CB -0.509 38.489 39.000 -0.004 0.000 0.991 306 F HN 0.003 nan 8.300 nan 0.000 0.474 307 A N -0.267 122.671 122.820 0.197 0.000 2.024 307 A HA -0.057 4.264 4.320 0.001 0.000 0.220 307 A C 2.061 179.689 177.584 0.073 0.000 1.164 307 A CA 1.566 53.668 52.037 0.108 0.000 0.643 307 A CB -1.078 17.965 19.000 0.070 0.000 0.806 307 A HN 0.294 nan 8.150 nan 0.000 0.451 308 A N -1.369 121.491 122.820 0.065 0.000 2.337 308 A HA 0.434 4.755 4.320 0.001 0.000 0.227 308 A C 1.733 179.357 177.584 0.066 0.000 1.259 308 A CA 0.218 52.290 52.037 0.057 0.000 0.870 308 A CB -0.465 18.567 19.000 0.053 0.000 0.927 308 A HN 0.498 nan 8.150 nan 0.000 0.497 309 M N 0.650 120.289 119.600 0.065 0.000 2.200 309 M HA 0.001 4.481 4.480 0.001 0.000 0.265 309 M C -1.077 175.255 176.300 0.054 0.000 1.066 309 M CA 1.037 56.374 55.300 0.061 0.000 1.127 309 M CB -0.768 31.871 32.600 0.065 0.000 1.379 309 M HN 0.146 nan 8.290 nan 0.000 0.420 310 P HA 0.028 nan 4.420 nan 0.000 0.225 310 P C -1.181 176.127 177.300 0.013 0.000 1.768 310 P CA 0.249 63.363 63.100 0.024 0.000 0.943 310 P CB -0.686 31.024 31.700 0.017 0.000 1.936 311 Q N 1.226 121.041 119.800 0.025 0.000 2.296 311 Q HA 0.106 4.446 4.340 0.001 0.000 0.262 311 Q C 0.041 176.032 176.000 -0.014 0.000 0.981 311 Q CA -0.206 55.611 55.803 0.023 0.000 0.905 311 Q CB 0.553 29.318 28.738 0.045 0.000 1.186 311 Q HN 0.370 nan 8.270 nan 0.000 0.399 312 E N 3.299 123.476 120.200 -0.038 0.000 2.360 312 E HA 0.037 4.388 4.350 0.001 0.000 0.269 312 E C 0.078 176.652 176.600 -0.043 0.000 1.022 312 E CA -0.305 56.017 56.400 -0.131 0.000 0.887 312 E CB 0.313 29.914 29.700 -0.165 0.000 0.990 312 E HN 0.468 nan 8.360 nan 0.000 0.426 313 H N 2.084 121.157 119.070 0.005 0.000 1.452 313 H HA -0.241 4.316 4.556 0.001 0.000 0.090 313 H C 0.869 176.190 175.328 -0.011 0.000 1.001 313 H CA 1.712 57.759 56.048 -0.002 0.000 1.901 313 H CB -0.997 28.762 29.762 -0.004 0.000 2.257 313 H HN 0.700 nan 8.280 nan 0.000 0.961 314 E N 1.693 121.982 120.200 0.148 0.000 2.371 314 E HA 0.199 4.549 4.350 0.001 0.000 0.194 314 E C 0.735 177.311 176.600 -0.040 0.000 1.012 314 E CA 0.604 57.028 56.400 0.041 0.000 0.860 314 E CB 0.471 30.173 29.700 0.003 0.000 0.811 314 E HN 0.257 nan 8.360 nan 0.000 0.502 315 R N -0.449 120.026 120.500 -0.041 0.000 2.647 315 R HA 0.242 4.583 4.340 0.001 0.000 0.260 315 R C -1.558 174.731 176.300 -0.018 0.000 1.154 315 R CA -0.147 55.869 56.100 -0.140 0.000 1.029 315 R CB 1.280 31.450 30.300 -0.217 0.000 1.262 315 R HN 0.047 nan 8.270 nan 0.000 0.437 316 S N 4.818 120.521 115.700 0.005 0.000 2.509 316 S HA 0.604 5.074 4.470 0.001 0.000 0.297 316 S C -0.570 174.184 174.600 0.257 0.000 1.118 316 S CA -0.904 57.361 58.200 0.108 0.000 1.074 316 S CB 0.850 64.102 63.200 0.087 0.000 1.038 316 S HN 0.439 nan 8.310 nan 0.000 0.498 317 L N 3.068 124.418 121.223 0.212 0.000 2.317 317 L HA 0.912 5.252 4.340 0.001 0.000 0.281 317 L C 1.007 177.926 176.870 0.082 0.000 1.024 317 L CA 0.273 55.261 54.840 0.247 0.000 0.810 317 L CB -0.229 41.910 42.059 0.134 0.000 1.240 317 L HN 1.006 nan 8.230 nan 0.000 0.427 318 G N 2.503 111.293 108.800 -0.017 0.000 4.165 318 G HA2 -0.294 3.666 3.960 0.001 0.000 0.211 318 G HA3 -0.294 3.666 3.960 0.001 0.000 0.211 318 G C 0.879 175.764 174.900 -0.025 0.000 1.469 318 G CA 0.192 45.206 45.100 -0.144 0.000 0.964 318 G HN 0.604 nan 8.290 nan 0.000 0.613 319 L N -0.826 120.428 121.223 0.051 0.000 2.042 319 L HA -0.037 4.304 4.340 0.001 0.000 0.210 319 L C 2.612 179.549 176.870 0.113 0.000 1.076 319 L CA 2.571 57.449 54.840 0.064 0.000 0.749 319 L CB -0.553 41.554 42.059 0.080 0.000 0.893 319 L HN 0.582 nan 8.230 nan 0.000 0.432 320 W N 1.209 122.486 121.300 -0.038 0.000 2.381 320 W HA -0.161 4.499 4.660 0.001 0.000 0.301 320 W C 2.538 178.785 176.519 -0.455 0.000 1.205 320 W CA 1.478 58.770 57.345 -0.088 0.000 1.285 320 W CB -0.582 28.879 29.460 0.002 0.000 1.133 320 W HN 0.195 nan 8.180 nan 0.000 0.521 321 H N -0.014 118.539 119.070 -0.862 0.000 2.421 321 H HA -0.025 4.532 4.556 0.001 0.000 0.298 321 H C 2.342 177.023 175.328 -1.079 0.000 1.087 321 H CA 2.292 57.278 56.048 -1.772 0.000 1.330 321 H CB -1.015 28.047 29.762 -1.167 0.000 1.388 321 H HN 0.162 nan 8.280 nan 0.000 0.526 322 A N 0.921 123.512 122.820 -0.382 0.000 2.070 322 A HA -0.202 4.119 4.320 0.001 0.000 0.220 322 A C 1.987 179.492 177.584 -0.132 0.000 1.159 322 A CA 1.710 53.628 52.037 -0.198 0.000 0.656 322 A CB -0.251 18.693 19.000 -0.093 0.000 0.800 322 A HN 0.575 nan 8.150 nan 0.000 0.453 323 E N -1.107 119.017 120.200 -0.125 0.000 2.112 323 E HA -0.178 4.173 4.350 0.001 0.000 0.190 323 E C 1.642 178.333 176.600 0.152 0.000 0.979 323 E CA 0.741 57.174 56.400 0.056 0.000 0.814 323 E CB -0.274 29.547 29.700 0.202 0.000 0.762 323 E HN 0.796 nan 8.360 nan 0.000 0.460 324 W N 1.962 123.208 121.300 -0.091 0.000 2.280 324 W HA -0.241 4.419 4.660 0.001 0.000 0.332 324 W C 2.020 178.507 176.519 -0.054 0.000 1.300 324 W CA 1.136 58.419 57.345 -0.103 0.000 1.274 324 W CB -0.930 28.415 29.460 -0.191 0.000 1.141 324 W HN 0.132 nan 8.180 nan 0.000 0.474 325 E N -1.671 118.635 120.200 0.177 0.000 2.340 325 E HA -0.006 4.344 4.350 0.001 0.000 0.194 325 E C 1.992 178.601 176.600 0.016 0.000 0.996 325 E CA 1.086 57.536 56.400 0.084 0.000 0.869 325 E CB -0.681 29.062 29.700 0.072 0.000 0.835 325 E HN 0.203 nan 8.360 nan 0.000 0.493 326 T N 2.326 116.890 114.554 0.016 0.000 2.708 326 T HA -0.079 4.271 4.350 0.001 0.000 0.266 326 T C 2.035 176.705 174.700 -0.050 0.000 1.037 326 T CA 0.682 62.771 62.100 -0.018 0.000 1.146 326 T CB -0.224 68.639 68.868 -0.008 0.000 0.865 326 T HN 0.087 nan 8.240 nan 0.000 0.435 327 L N 0.880 122.087 121.223 -0.026 0.000 2.046 327 L HA -0.059 4.281 4.340 0.001 0.000 0.208 327 L C -0.700 176.031 176.870 -0.233 0.000 1.077 327 L CA 1.496 56.303 54.840 -0.055 0.000 0.747 327 L CB -0.903 41.187 42.059 0.051 0.000 0.896 327 L HN 0.214 nan 8.230 nan 0.000 0.432 328 P HA -0.123 nan 4.420 nan 0.000 0.216 328 P C 0.850 177.877 177.300 -0.454 0.000 1.153 328 P CA 1.205 63.833 63.100 -0.787 0.000 0.848 328 P CB 0.031 31.430 31.700 -0.502 0.000 0.787 329 D N -0.722 119.547 120.400 -0.218 0.000 2.123 329 D HA -0.150 4.491 4.640 0.001 0.000 0.196 329 D C 1.917 178.132 176.300 -0.141 0.000 0.992 329 D CA 1.041 54.962 54.000 -0.132 0.000 0.833 329 D CB -0.753 40.000 40.800 -0.079 0.000 0.954 329 D HN 0.160 nan 8.370 nan 0.000 0.455 330 I N 0.217 120.695 120.570 -0.154 0.000 2.163 330 I HA -0.321 3.850 4.170 0.001 0.000 0.243 330 I C 2.471 178.499 176.117 -0.148 0.000 1.085 330 I CA 0.755 61.968 61.300 -0.144 0.000 1.347 330 I CB -0.293 37.621 38.000 -0.143 0.000 1.044 330 I HN 0.102 nan 8.210 nan 0.000 0.408 331 C N 0.224 119.415 119.300 -0.182 0.000 2.413 331 C HA -0.202 4.258 4.460 0.001 0.000 0.276 331 C C 3.158 178.133 174.990 -0.025 0.000 1.248 331 C CA 0.706 59.666 59.018 -0.096 0.000 1.742 331 C CB -1.117 26.560 27.740 -0.104 0.000 2.017 331 C HN 0.642 nan 8.230 nan 0.000 0.481 332 C N -0.522 118.743 119.300 -0.057 0.000 2.446 332 C HA -0.066 4.395 4.460 0.001 0.000 0.277 332 C C 2.528 177.528 174.990 0.017 0.000 1.275 332 C CA 0.552 59.589 59.018 0.031 0.000 1.727 332 C CB -1.466 26.298 27.740 0.039 0.000 2.010 332 C HN 0.531 nan 8.230 nan 0.000 0.486 333 L N 0.861 122.062 121.223 -0.036 0.000 2.012 333 L HA -0.113 4.227 4.340 0.001 0.000 0.210 333 L C 2.558 179.397 176.870 -0.052 0.000 1.073 333 L CA 1.813 56.615 54.840 -0.064 0.000 0.748 333 L CB -1.178 40.812 42.059 -0.114 0.000 0.891 333 L HN 0.189 nan 8.230 nan 0.000 0.431 334 V N -0.696 119.185 119.914 -0.055 0.000 2.427 334 V HA -0.222 3.898 4.120 0.001 0.000 0.248 334 V C 2.644 178.738 176.094 -0.001 0.000 1.051 334 V CA 1.495 63.768 62.300 -0.046 0.000 1.048 334 V CB -0.796 30.980 31.823 -0.078 0.000 0.666 334 V HN 0.671 nan 8.190 nan 0.000 0.456 335 S N 1.187 116.904 115.700 0.029 0.000 2.382 335 S HA -0.122 4.348 4.470 0.001 0.000 0.228 335 S C 2.076 176.712 174.600 0.061 0.000 1.027 335 S CA 1.573 59.810 58.200 0.062 0.000 0.991 335 S CB -0.876 62.383 63.200 0.098 0.000 0.823 335 S HN 0.536 nan 8.310 nan 0.000 0.469 336 G N 1.055 109.890 108.800 0.057 0.000 2.422 336 G HA2 0.180 4.141 3.960 0.001 0.000 0.218 336 G HA3 0.180 4.141 3.960 0.001 0.000 0.218 336 G C 1.633 176.559 174.900 0.043 0.000 1.140 336 G CA 0.671 45.810 45.100 0.066 0.000 0.775 336 G HN 0.784 nan 8.290 nan 0.000 0.545 337 A N 0.485 123.316 122.820 0.019 0.000 1.897 337 A HA 0.204 4.525 4.320 0.001 0.000 0.215 337 A C 2.390 180.001 177.584 0.045 0.000 1.181 337 A CA 0.918 52.966 52.037 0.017 0.000 0.620 337 A CB -0.374 18.622 19.000 -0.007 0.000 0.821 337 A HN 0.325 nan 8.150 nan 0.000 0.443 338 L N -0.859 120.389 121.223 0.042 0.000 2.012 338 L HA -0.211 4.129 4.340 0.001 0.000 0.210 338 L C 2.813 179.720 176.870 0.062 0.000 1.073 338 L CA 1.825 56.695 54.840 0.050 0.000 0.748 338 L CB -0.417 41.669 42.059 0.044 0.000 0.891 338 L HN 0.481 nan 8.230 nan 0.000 0.431 339 R N -0.242 120.296 120.500 0.064 0.000 2.094 339 R HA -0.268 4.073 4.340 0.001 0.000 0.239 339 R C 2.353 178.701 176.300 0.079 0.000 1.137 339 R CA 2.059 58.202 56.100 0.071 0.000 0.943 339 R CB -0.181 30.164 30.300 0.075 0.000 0.850 339 R HN 0.215 nan 8.270 nan 0.000 0.433 340 Q N -0.070 119.778 119.800 0.080 0.000 2.119 340 Q HA -0.014 4.327 4.340 0.001 0.000 0.201 340 Q C 1.817 177.882 176.000 0.109 0.000 0.972 340 Q CA 1.919 57.775 55.803 0.088 0.000 0.847 340 Q CB -0.196 28.583 28.738 0.069 0.000 0.903 340 Q HN 0.486 nan 8.270 nan 0.000 0.433 341 A N -0.222 122.675 122.820 0.129 0.000 1.972 341 A HA -0.232 4.089 4.320 0.001 0.000 0.219 341 A C 2.006 179.701 177.584 0.184 0.000 1.169 341 A CA 1.687 53.854 52.037 0.217 0.000 0.635 341 A CB -0.587 18.537 19.000 0.206 0.000 0.810 341 A HN 0.413 nan 8.150 nan 0.000 0.446 342 Q N 0.058 119.924 119.800 0.110 0.000 2.050 342 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 342 Q C 1.878 177.935 176.000 0.094 0.000 0.980 342 Q CA 2.253 58.106 55.803 0.083 0.000 0.840 342 Q CB -0.718 28.058 28.738 0.064 0.000 0.898 342 Q HN 0.310 nan 8.270 nan 0.000 0.424 343 V N 1.508 121.479 119.914 0.095 0.000 2.252 343 V HA -0.290 3.830 4.120 0.001 0.000 0.249 343 V C 2.356 178.510 176.094 0.100 0.000 1.056 343 V CA 2.114 64.467 62.300 0.088 0.000 1.022 343 V CB -0.908 30.965 31.823 0.084 0.000 0.641 343 V HN 0.686 nan 8.190 nan 0.000 0.445 344 I N -0.197 120.447 120.570 0.122 0.000 2.439 344 I HA -0.065 4.105 4.170 0.001 0.000 0.251 344 I C 2.362 178.587 176.117 0.181 0.000 1.139 344 I CA 1.694 63.069 61.300 0.125 0.000 1.438 344 I CB -0.492 37.551 38.000 0.072 0.000 1.085 344 I HN 0.180 nan 8.210 nan 0.000 0.427 345 A N 2.249 125.209 122.820 0.232 0.000 1.902 345 A HA -0.255 4.065 4.320 0.001 0.000 0.217 345 A C 2.330 179.986 177.584 0.120 0.000 1.181 345 A CA 2.003 54.161 52.037 0.202 0.000 0.623 345 A CB -0.824 18.229 19.000 0.088 0.000 0.818 345 A HN 0.800 nan 8.150 nan 0.000 0.443 346 E N -1.253 119.004 120.200 0.094 0.000 2.442 346 E HA 0.152 4.502 4.350 0.001 0.000 0.195 346 E C 1.177 177.825 176.600 0.080 0.000 1.030 346 E CA 0.698 57.143 56.400 0.075 0.000 0.869 346 E CB -0.104 29.632 29.700 0.060 0.000 0.857 346 E HN 0.410 nan 8.360 nan 0.000 0.505 347 G N 1.519 110.372 108.800 0.088 0.000 3.695 347 G HA2 0.242 4.202 3.960 0.001 0.000 0.277 347 G HA3 0.242 4.202 3.960 0.001 0.000 0.277 347 G C 0.160 175.113 174.900 0.089 0.000 1.001 347 G CA -0.439 44.709 45.100 0.080 0.000 0.837 347 G HN 0.096 nan 8.290 nan 0.000 0.492 348 M N 0.420 120.080 119.600 0.100 0.000 2.248 348 M HA 0.492 4.972 4.480 0.001 0.000 0.337 348 M C -0.320 176.045 176.300 0.108 0.000 1.121 348 M CA -0.096 55.263 55.300 0.100 0.000 1.155 348 M CB 0.265 32.914 32.600 0.083 0.000 1.514 348 M HN -0.086 nan 8.290 nan 0.000 0.452 349 E N 1.550 121.837 120.200 0.145 0.000 2.174 349 E HA 0.546 4.897 4.350 0.001 0.000 0.282 349 E C -1.084 175.637 176.600 0.202 0.000 0.992 349 E CA -0.750 55.749 56.400 0.165 0.000 0.803 349 E CB 1.556 31.349 29.700 0.155 0.000 1.090 349 E HN 0.545 nan 8.360 nan 0.000 0.396 350 V N 2.604 122.604 119.914 0.144 0.000 2.547 350 V HA 0.184 4.305 4.120 0.001 0.000 0.299 350 V C -0.307 175.876 176.094 0.148 0.000 1.040 350 V CA -0.669 61.693 62.300 0.102 0.000 0.913 350 V CB 1.844 33.663 31.823 -0.007 0.000 0.992 350 V HN 0.659 nan 8.190 nan 0.000 0.449 351 D N 2.859 123.349 120.400 0.150 0.000 2.434 351 D HA 0.472 5.112 4.640 0.001 0.000 0.275 351 D C 0.828 177.186 176.300 0.095 0.000 1.172 351 D CA -0.075 54.012 54.000 0.145 0.000 0.916 351 D CB 1.531 42.462 40.800 0.219 0.000 1.041 351 D HN 0.560 nan 8.370 nan 0.000 0.501 352 A N 2.630 125.503 122.820 0.088 0.000 1.978 352 A HA -0.046 4.274 4.320 0.001 0.000 0.220 352 A C 2.099 179.720 177.584 0.061 0.000 1.170 352 A CA 1.776 53.858 52.037 0.074 0.000 0.636 352 A CB -0.209 18.843 19.000 0.087 0.000 0.810 352 A HN 0.535 nan 8.150 nan 0.000 0.448 353 A N -0.265 122.592 122.820 0.063 0.000 1.898 353 A HA -0.102 4.218 4.320 0.001 0.000 0.216 353 A C 2.173 179.791 177.584 0.058 0.000 1.181 353 A CA 1.951 54.021 52.037 0.055 0.000 0.620 353 A CB -0.394 18.637 19.000 0.051 0.000 0.819 353 A HN 0.429 nan 8.150 nan 0.000 0.442 354 R N -0.053 120.488 120.500 0.069 0.000 2.092 354 R HA 0.027 4.368 4.340 0.001 0.000 0.231 354 R C 1.948 178.281 176.300 0.056 0.000 1.119 354 R CA 1.955 58.097 56.100 0.070 0.000 0.970 354 R CB -0.695 29.663 30.300 0.096 0.000 0.864 354 R HN 0.588 nan 8.270 nan 0.000 0.440 355 M N -0.220 119.407 119.600 0.045 0.000 2.159 355 M HA -0.110 4.371 4.480 0.001 0.000 0.263 355 M C 2.140 178.460 176.300 0.033 0.000 1.063 355 M CA 1.427 56.743 55.300 0.026 0.000 1.110 355 M CB -0.258 32.352 32.600 0.017 0.000 1.374 355 M HN 0.003 nan 8.290 nan 0.000 0.411 356 R N 0.170 120.695 120.500 0.042 0.000 2.073 356 R HA -0.073 4.267 4.340 0.001 0.000 0.234 356 R C 2.209 178.544 176.300 0.057 0.000 1.134 356 R CA 1.448 57.576 56.100 0.046 0.000 0.952 356 R CB -0.656 29.671 30.300 0.046 0.000 0.850 356 R HN 0.404 nan 8.270 nan 0.000 0.433 357 R N 0.579 121.115 120.500 0.059 0.000 2.083 357 R HA -0.097 4.243 4.340 0.001 0.000 0.237 357 R C 1.826 178.172 176.300 0.077 0.000 1.137 357 R CA 1.624 57.764 56.100 0.066 0.000 0.951 357 R CB -0.117 30.220 30.300 0.060 0.000 0.851 357 R HN 0.200 nan 8.270 nan 0.000 0.434 358 N N 0.683 119.431 118.700 0.079 0.000 2.223 358 N HA -0.160 4.581 4.740 0.001 0.000 0.185 358 N C 1.765 177.359 175.510 0.140 0.000 1.016 358 N CA 0.828 53.948 53.050 0.117 0.000 0.863 358 N CB -0.201 38.348 38.487 0.104 0.000 0.983 358 N HN 0.229 nan 8.380 nan 0.000 0.429 359 L N 1.007 122.276 121.223 0.076 0.000 2.043 359 L HA -0.175 4.166 4.340 0.001 0.000 0.212 359 L C 0.461 177.392 176.870 0.101 0.000 1.075 359 L CA 1.293 56.169 54.840 0.060 0.000 0.752 359 L CB -0.207 41.879 42.059 0.046 0.000 0.891 359 L HN 0.268 nan 8.230 nan 0.000 0.432 360 D N -0.613 119.848 120.400 0.102 0.000 3.071 360 D HA 0.010 4.651 4.640 0.001 0.000 0.259 360 D C 1.331 177.657 176.300 0.044 0.000 1.331 360 D CA -0.163 53.883 54.000 0.077 0.000 0.861 360 D CB 0.816 41.711 40.800 0.158 0.000 1.059 360 D HN 0.161 nan 8.370 nan 0.000 0.486 361 L N 1.370 122.639 121.223 0.077 0.000 2.341 361 L HA -0.005 4.335 4.340 0.001 0.000 0.214 361 L C 1.982 178.835 176.870 -0.029 0.000 1.115 361 L CA 1.388 56.246 54.840 0.030 0.000 0.820 361 L CB -0.264 41.820 42.059 0.042 0.000 0.944 361 L HN 0.211 nan 8.230 nan 0.000 0.452 362 T N -4.032 110.514 114.554 -0.013 0.000 3.163 362 T HA 0.108 4.458 4.350 0.001 0.000 0.252 362 T C 0.581 175.208 174.700 -0.122 0.000 1.056 362 T CA -0.227 61.840 62.100 -0.056 0.000 0.947 362 T CB -0.276 68.587 68.868 -0.009 0.000 1.016 362 T HN 0.401 nan 8.240 nan 0.000 0.554 363 Q N 0.471 120.158 119.800 -0.188 0.000 2.452 363 Q HA -0.218 4.122 4.340 0.001 0.000 0.318 363 Q C 1.195 176.790 176.000 -0.676 0.000 1.386 363 Q CA 0.474 55.991 55.803 -0.476 0.000 0.872 363 Q CB -2.059 26.483 28.738 -0.327 0.000 1.151 363 Q HN 1.018 nan 8.270 nan 0.000 0.417 364 G N -0.827 107.726 108.800 -0.411 0.000 2.212 364 G HA2 -0.371 3.590 3.960 0.001 0.000 0.266 364 G HA3 -0.371 3.590 3.960 0.001 0.000 0.266 364 G C 0.628 175.474 174.900 -0.090 0.000 0.978 364 G CA 0.471 45.465 45.100 -0.176 0.000 0.632 364 G HN 0.434 nan 8.290 nan 0.000 0.537 365 L N -0.080 121.082 121.223 -0.101 0.000 2.265 365 L HA 0.016 4.356 4.340 0.001 0.000 0.215 365 L C 2.708 179.564 176.870 -0.023 0.000 1.117 365 L CA 1.236 56.041 54.840 -0.058 0.000 0.782 365 L CB -0.304 41.721 42.059 -0.057 0.000 0.914 365 L HN 0.254 nan 8.230 nan 0.000 0.441 366 V N -0.365 119.549 119.914 0.000 0.000 3.380 366 V HA -0.111 4.009 4.120 0.001 0.000 0.268 366 V C 1.519 177.629 176.094 0.027 0.000 1.168 366 V CA 0.903 63.225 62.300 0.037 0.000 1.156 366 V CB 0.262 32.128 31.823 0.073 0.000 0.785 366 V HN 0.274 nan 8.190 nan 0.000 0.487 367 L N -0.488 120.724 121.223 -0.018 0.000 2.808 367 L HA 0.473 4.814 4.340 0.001 0.000 0.246 367 L C 2.145 178.932 176.870 -0.139 0.000 1.153 367 L CA 1.007 55.790 54.840 -0.095 0.000 0.956 367 L CB -0.361 41.658 42.059 -0.065 0.000 1.270 367 L HN 0.223 nan 8.230 nan 0.000 0.528 368 A N -0.283 122.491 122.820 -0.076 0.000 1.917 368 A HA -0.275 4.046 4.320 0.001 0.000 0.219 368 A C 2.234 179.768 177.584 -0.084 0.000 1.182 368 A CA 2.119 54.114 52.037 -0.069 0.000 0.633 368 A CB -0.369 18.606 19.000 -0.042 0.000 0.819 368 A HN 0.527 nan 8.150 nan 0.000 0.448 369 E N -0.116 120.041 120.200 -0.073 0.000 2.058 369 E HA -0.170 4.180 4.350 0.001 0.000 0.194 369 E C 2.105 178.616 176.600 -0.149 0.000 0.997 369 E CA 1.223 57.600 56.400 -0.038 0.000 0.801 369 E CB -0.314 29.433 29.700 0.078 0.000 0.746 369 E HN 0.540 nan 8.360 nan 0.000 0.450 370 A N 0.445 122.961 122.820 -0.506 0.000 1.978 370 A HA -0.129 4.192 4.320 0.001 0.000 0.220 370 A C 2.329 179.750 177.584 -0.272 0.000 1.170 370 A CA 1.459 53.056 52.037 -0.733 0.000 0.636 370 A CB -0.388 17.819 19.000 -1.322 0.000 0.810 370 A HN 0.252 nan 8.150 nan 0.000 0.448 371 V N -1.074 118.725 119.914 -0.191 0.000 2.446 371 V HA -0.125 3.995 4.120 0.001 0.000 0.244 371 V C 2.709 178.772 176.094 -0.051 0.000 1.039 371 V CA 1.895 64.137 62.300 -0.097 0.000 1.045 371 V CB -0.379 31.398 31.823 -0.077 0.000 0.681 371 V HN 0.644 nan 8.190 nan 0.000 0.459 372 S N 0.644 116.320 115.700 -0.040 0.000 2.387 372 S HA -0.209 4.261 4.470 0.001 0.000 0.230 372 S C 2.000 176.612 174.600 0.021 0.000 1.035 372 S CA 2.215 60.419 58.200 0.005 0.000 1.014 372 S CB -0.429 62.789 63.200 0.030 0.000 0.836 372 S HN 0.663 nan 8.310 nan 0.000 0.466 373 I N -1.052 119.530 120.570 0.019 0.000 2.286 373 I HA -0.009 4.161 4.170 0.001 0.000 0.245 373 I C 2.069 178.200 176.117 0.024 0.000 1.104 373 I CA 1.096 62.418 61.300 0.036 0.000 1.397 373 I CB -0.809 37.230 38.000 0.065 0.000 1.072 373 I HN 0.120 nan 8.210 nan 0.000 0.417 374 V N 2.008 121.927 119.914 0.009 0.000 2.307 374 V HA -0.214 3.907 4.120 0.001 0.000 0.245 374 V C 2.586 178.682 176.094 0.004 0.000 1.045 374 V CA 1.793 64.095 62.300 0.003 0.000 1.024 374 V CB -0.598 31.218 31.823 -0.012 0.000 0.651 374 V HN 0.446 nan 8.190 nan 0.000 0.449 375 L N 0.007 121.231 121.223 0.001 0.000 2.549 375 L HA -0.047 4.293 4.340 0.001 0.000 0.229 375 L C 2.451 179.333 176.870 0.019 0.000 1.158 375 L CA 0.738 55.582 54.840 0.007 0.000 0.842 375 L CB -0.611 41.449 42.059 0.003 0.000 0.952 375 L HN 0.372 nan 8.230 nan 0.000 0.452 376 A N 0.447 123.281 122.820 0.023 0.000 1.929 376 A HA -0.190 4.131 4.320 0.001 0.000 0.216 376 A C 2.268 179.865 177.584 0.023 0.000 1.176 376 A CA 1.258 53.313 52.037 0.030 0.000 0.628 376 A CB -0.167 18.852 19.000 0.032 0.000 0.816 376 A HN 0.592 nan 8.150 nan 0.000 0.444 377 Q N -1.735 118.076 119.800 0.018 0.000 2.165 377 Q HA 0.045 4.386 4.340 0.001 0.000 0.197 377 Q C 1.969 177.976 176.000 0.011 0.000 0.952 377 Q CA 0.221 56.032 55.803 0.014 0.000 0.848 377 Q CB -0.290 28.456 28.738 0.013 0.000 0.931 377 Q HN 0.309 nan 8.270 nan 0.000 0.470 378 R N 0.630 121.135 120.500 0.009 0.000 2.117 378 R HA 0.037 4.378 4.340 0.001 0.000 0.243 378 R C 1.300 177.606 176.300 0.010 0.000 1.143 378 R CA 1.014 57.118 56.100 0.007 0.000 0.968 378 R CB -0.347 29.954 30.300 0.003 0.000 0.863 378 R HN 0.325 nan 8.270 nan 0.000 0.444 379 L N -2.758 118.474 121.223 0.014 0.000 2.563 379 L HA 0.490 4.831 4.340 0.001 0.000 0.255 379 L C 0.637 177.521 176.870 0.022 0.000 1.444 379 L CA -0.887 53.965 54.840 0.019 0.000 1.526 379 L CB 0.424 42.497 42.059 0.023 0.000 1.929 379 L HN -0.016 nan 8.230 nan 0.000 0.563 380 G N -0.598 108.220 108.800 0.029 0.000 2.338 380 G HA2 0.332 4.293 3.960 0.001 0.000 0.298 380 G HA3 0.332 4.293 3.960 0.001 0.000 0.298 380 G C 0.687 175.612 174.900 0.041 0.000 1.140 380 G CA -0.419 44.699 45.100 0.030 0.000 0.860 380 G HN 0.675 nan 8.290 nan 0.000 0.470 381 R N 1.282 121.802 120.500 0.034 0.000 2.170 381 R HA -0.141 4.199 4.340 0.001 0.000 0.242 381 R C 1.249 177.583 176.300 0.058 0.000 1.145 381 R CA 1.739 57.862 56.100 0.039 0.000 0.984 381 R CB -0.116 30.195 30.300 0.018 0.000 0.869 381 R HN 0.509 nan 8.270 nan 0.000 0.455 382 D N 0.786 121.216 120.400 0.050 0.000 2.137 382 D HA -0.124 4.516 4.640 0.001 0.000 0.202 382 D C 1.958 178.326 176.300 0.113 0.000 0.970 382 D CA 0.750 54.789 54.000 0.065 0.000 0.837 382 D CB 0.016 40.835 40.800 0.032 0.000 0.981 382 D HN 0.318 nan 8.370 nan 0.000 0.475 383 R N 0.255 120.809 120.500 0.090 0.000 2.075 383 R HA 0.009 4.350 4.340 0.001 0.000 0.226 383 R C 2.253 178.631 176.300 0.129 0.000 1.114 383 R CA 1.103 57.267 56.100 0.106 0.000 0.972 383 R CB -0.135 30.206 30.300 0.068 0.000 0.869 383 R HN 0.069 nan 8.270 nan 0.000 0.437 384 A N 0.310 123.189 122.820 0.099 0.000 1.902 384 A HA -0.243 4.077 4.320 0.001 0.000 0.217 384 A C 1.909 179.549 177.584 0.094 0.000 1.181 384 A CA 1.883 53.966 52.037 0.077 0.000 0.623 384 A CB -0.895 18.142 19.000 0.061 0.000 0.818 384 A HN 0.589 nan 8.150 nan 0.000 0.443 385 H N -0.867 118.227 119.070 0.040 0.000 2.265 385 H HA -0.251 4.306 4.556 0.001 0.000 0.295 385 H C 2.002 177.358 175.328 0.047 0.000 1.084 385 H CA 2.572 58.643 56.048 0.037 0.000 1.261 385 H CB -0.521 29.268 29.762 0.045 0.000 1.360 385 H HN 0.724 nan 8.280 nan 0.000 0.487 386 H N -0.460 118.597 119.070 -0.021 0.000 2.267 386 H HA -0.136 4.421 4.556 0.001 0.000 0.297 386 H C 2.267 177.542 175.328 -0.088 0.000 1.080 386 H CA 1.973 57.973 56.048 -0.079 0.000 1.278 386 H CB -0.768 28.993 29.762 -0.001 0.000 1.365 386 H HN 0.378 nan 8.280 nan 0.000 0.489 387 L N -0.354 120.762 121.223 -0.178 0.000 2.189 387 L HA -0.109 4.231 4.340 0.001 0.000 0.214 387 L C 2.201 178.956 176.870 -0.193 0.000 1.097 387 L CA 1.408 56.123 54.840 -0.208 0.000 0.764 387 L CB -0.748 41.288 42.059 -0.037 0.000 0.900 387 L HN 0.455 nan 8.230 nan 0.000 0.436 388 L N -0.868 120.259 121.223 -0.161 0.000 2.127 388 L HA -0.073 4.268 4.340 0.001 0.000 0.203 388 L C 2.365 179.130 176.870 -0.175 0.000 1.080 388 L CA 1.482 56.240 54.840 -0.136 0.000 0.768 388 L CB -0.555 41.449 42.059 -0.092 0.000 0.924 388 L HN 0.316 nan 8.230 nan 0.000 0.444 389 E N -0.892 119.158 120.200 -0.250 0.000 2.153 389 E HA -0.304 4.047 4.350 0.001 0.000 0.194 389 E C 1.999 178.482 176.600 -0.195 0.000 0.988 389 E CA 1.232 57.496 56.400 -0.227 0.000 0.811 389 E CB -0.115 29.417 29.700 -0.279 0.000 0.746 389 E HN 0.607 nan 8.360 nan 0.000 0.466 390 Q N 0.301 119.945 119.800 -0.261 0.000 2.079 390 Q HA -0.173 4.167 4.340 0.001 0.000 0.200 390 Q C 2.157 178.072 176.000 -0.141 0.000 0.974 390 Q CA 1.495 57.162 55.803 -0.227 0.000 0.840 390 Q CB -0.065 28.470 28.738 -0.339 0.000 0.898 390 Q HN 0.312 nan 8.270 nan 0.000 0.430 391 C N -0.328 118.894 119.300 -0.130 0.000 2.435 391 C HA -0.101 4.359 4.460 0.001 0.000 0.279 391 C C 2.852 177.801 174.990 -0.070 0.000 1.321 391 C CA 0.294 59.262 59.018 -0.083 0.000 1.752 391 C CB -0.972 26.726 27.740 -0.070 0.000 1.959 391 C HN 0.707 nan 8.230 nan 0.000 0.500 392 C N -0.457 118.794 119.300 -0.081 0.000 2.476 392 C HA -0.079 4.382 4.460 0.001 0.000 0.278 392 C C 3.363 178.314 174.990 -0.064 0.000 1.274 392 C CA 1.697 60.674 59.018 -0.069 0.000 1.713 392 C CB -1.528 26.168 27.740 -0.074 0.000 2.039 392 C HN 0.740 nan 8.230 nan 0.000 0.484 393 Q N 0.495 120.252 119.800 -0.071 0.000 2.197 393 Q HA -0.238 4.102 4.340 0.001 0.000 0.207 393 Q C 2.178 178.150 176.000 -0.048 0.000 0.984 393 Q CA 2.973 58.740 55.803 -0.059 0.000 0.869 393 Q CB -0.980 27.719 28.738 -0.064 0.000 0.906 393 Q HN 0.822 nan 8.270 nan 0.000 0.426 394 R N -0.081 120.389 120.500 -0.050 0.000 2.062 394 R HA 0.475 4.815 4.340 0.001 0.000 0.226 394 R C 2.783 179.065 176.300 -0.030 0.000 1.125 394 R CA 1.864 57.942 56.100 -0.037 0.000 0.966 394 R CB -1.353 28.925 30.300 -0.038 0.000 0.861 394 R HN 1.058 nan 8.270 nan 0.000 0.433 395 A N 0.482 123.282 122.820 -0.033 0.000 2.032 395 A HA -0.015 4.305 4.320 0.001 0.000 0.221 395 A C 2.448 180.012 177.584 -0.033 0.000 1.165 395 A CA 1.870 53.890 52.037 -0.027 0.000 0.645 395 A CB -0.437 18.543 19.000 -0.034 0.000 0.807 395 A HN 0.357 nan 8.150 nan 0.000 0.453 396 V N -0.931 118.960 119.914 -0.037 0.000 2.341 396 V HA -0.030 4.090 4.120 0.001 0.000 0.240 396 V C 2.919 178.996 176.094 -0.028 0.000 1.035 396 V CA 1.340 63.617 62.300 -0.037 0.000 1.033 396 V CB -1.235 30.564 31.823 -0.040 0.000 0.678 396 V HN 0.611 nan 8.190 nan 0.000 0.464 397 A N 1.512 124.316 122.820 -0.027 0.000 1.849 397 A HA -0.293 4.027 4.320 0.001 0.000 0.216 397 A C 1.923 179.497 177.584 -0.016 0.000 1.225 397 A CA 2.186 54.211 52.037 -0.021 0.000 0.653 397 A CB -0.948 18.039 19.000 -0.021 0.000 0.844 397 A HN 0.768 nan 8.150 nan 0.000 0.453 398 E N 1.563 121.754 120.200 -0.014 0.000 2.428 398 E HA 0.014 4.365 4.350 0.001 0.000 0.199 398 E C -0.244 176.352 176.600 -0.007 0.000 1.172 398 E CA 0.333 56.728 56.400 -0.009 0.000 0.941 398 E CB -1.023 28.673 29.700 -0.007 0.000 1.001 398 E HN 0.738 nan 8.360 nan 0.000 0.501 399 Q N 1.121 120.913 119.800 -0.012 0.000 2.692 399 Q HA -0.290 4.051 4.340 0.001 0.000 0.138 399 Q C -0.686 175.313 176.000 -0.002 0.000 1.410 399 Q CA 1.121 56.917 55.803 -0.013 0.000 0.589 399 Q CB -1.085 27.645 28.738 -0.013 0.000 0.730 399 Q HN 0.660 nan 8.270 nan 0.000 0.319 400 R N -0.048 120.453 120.500 0.002 0.000 2.739 400 R HA 0.359 4.699 4.340 0.001 0.000 0.266 400 R C -1.001 175.328 176.300 0.048 0.000 1.044 400 R CA -1.133 54.986 56.100 0.030 0.000 0.885 400 R CB 0.493 30.814 30.300 0.034 0.000 1.260 400 R HN 0.487 nan 8.270 nan 0.000 0.477 401 H N 1.696 120.762 119.070 -0.006 0.000 3.119 401 H HA -0.055 4.502 4.556 0.001 0.000 0.334 401 H C 0.580 175.901 175.328 -0.012 0.000 1.042 401 H CA 1.112 57.157 56.048 -0.006 0.000 1.354 401 H CB 0.954 30.715 29.762 -0.001 0.000 1.285 401 H HN 0.655 nan 8.280 nan 0.000 0.601 402 L N 3.862 125.175 121.223 0.149 0.000 2.141 402 L HA -0.170 4.171 4.340 0.001 0.000 0.209 402 L C 2.607 179.590 176.870 0.188 0.000 1.094 402 L CA 1.082 55.995 54.840 0.121 0.000 0.763 402 L CB -0.131 41.946 42.059 0.030 0.000 0.908 402 L HN 0.545 nan 8.230 nan 0.000 0.437 403 R N 0.568 121.286 120.500 0.363 0.000 2.103 403 R HA -0.191 4.149 4.340 0.001 0.000 0.242 403 R C 2.072 178.386 176.300 0.023 0.000 1.142 403 R CA 2.031 58.174 56.100 0.071 0.000 0.960 403 R CB -0.695 29.494 30.300 -0.185 0.000 0.858 403 R HN 0.412 nan 8.270 nan 0.000 0.439 404 A N -0.287 122.559 122.820 0.043 0.000 1.841 404 A HA -0.077 4.244 4.320 0.001 0.000 0.214 404 A C 2.351 179.946 177.584 0.018 0.000 1.195 404 A CA 1.744 53.793 52.037 0.020 0.000 0.611 404 A CB -0.940 18.079 19.000 0.033 0.000 0.835 404 A HN 0.170 nan 8.150 nan 0.000 0.443 405 V N 0.336 120.267 119.914 0.029 0.000 2.370 405 V HA -0.308 3.813 4.120 0.001 0.000 0.252 405 V C 2.510 178.603 176.094 -0.002 0.000 1.068 405 V CA 2.128 64.433 62.300 0.008 0.000 1.061 405 V CB -0.862 30.963 31.823 0.002 0.000 0.656 405 V HN 0.544 nan 8.190 nan 0.000 0.455 406 L N 0.105 121.329 121.223 0.002 0.000 2.240 406 L HA 0.026 4.366 4.340 0.001 0.000 0.211 406 L C 2.557 179.421 176.870 -0.010 0.000 1.106 406 L CA 1.288 56.123 54.840 -0.008 0.000 0.793 406 L CB -0.881 41.174 42.059 -0.006 0.000 0.927 406 L HN 0.464 nan 8.230 nan 0.000 0.446 407 G N -0.707 108.088 108.800 -0.008 0.000 2.448 407 G HA2 -0.179 3.781 3.960 0.001 0.000 0.218 407 G HA3 -0.179 3.781 3.960 0.001 0.000 0.218 407 G C 0.837 175.731 174.900 -0.010 0.000 1.135 407 G CA 0.411 45.504 45.100 -0.011 0.000 0.784 407 G HN 0.278 nan 8.290 nan 0.000 0.543 408 D N -0.092 120.303 120.400 -0.008 0.000 2.342 408 D HA 0.130 4.771 4.640 0.001 0.000 0.221 408 D C 0.316 176.611 176.300 -0.009 0.000 1.101 408 D CA 0.088 54.084 54.000 -0.007 0.000 0.837 408 D CB 0.625 41.421 40.800 -0.006 0.000 0.938 408 D HN 0.331 nan 8.370 nan 0.000 0.508 409 E N 1.018 121.211 120.200 -0.011 0.000 2.055 409 E HA 0.222 4.573 4.350 0.001 0.000 0.274 409 E C -1.932 174.663 176.600 -0.009 0.000 0.949 409 E CA -2.277 54.115 56.400 -0.013 0.000 0.775 409 E CB 1.567 31.255 29.700 -0.020 0.000 1.097 409 E HN -0.178 nan 8.360 nan 0.000 0.404 410 P HA -0.261 nan 4.420 nan 0.000 0.214 410 P C 0.700 177.999 177.300 -0.001 0.000 1.172 410 P CA 1.666 64.765 63.100 -0.002 0.000 0.925 410 P CB 0.260 31.961 31.700 0.001 0.000 0.793 411 Q N -1.015 118.786 119.800 0.002 0.000 2.096 411 Q HA -0.117 4.224 4.340 0.001 0.000 0.204 411 Q C 2.124 178.124 176.000 -0.000 0.000 0.982 411 Q CA 1.387 57.192 55.803 0.005 0.000 0.850 411 Q CB -1.355 27.390 28.738 0.012 0.000 0.901 411 Q HN 0.122 nan 8.270 nan 0.000 0.422 412 V N 0.384 120.295 119.914 -0.006 0.000 2.283 412 V HA -0.223 3.897 4.120 0.001 0.000 0.243 412 V C 2.100 178.188 176.094 -0.010 0.000 1.039 412 V CA 1.869 64.164 62.300 -0.009 0.000 1.016 412 V CB -0.865 30.949 31.823 -0.015 0.000 0.650 412 V HN 0.509 nan 8.190 nan 0.000 0.449 413 S N 0.773 116.468 115.700 -0.009 0.000 2.507 413 S HA 0.033 4.504 4.470 0.001 0.000 0.235 413 S C 1.784 176.379 174.600 -0.008 0.000 0.988 413 S CA 0.994 59.188 58.200 -0.010 0.000 0.944 413 S CB -0.223 62.971 63.200 -0.009 0.000 0.762 413 S HN 0.546 nan 8.310 nan 0.000 0.526 414 A N 0.804 123.621 122.820 -0.005 0.000 2.147 414 A HA 0.254 4.575 4.320 0.001 0.000 0.211 414 A C 2.141 179.723 177.584 -0.004 0.000 1.160 414 A CA 0.320 52.355 52.037 -0.004 0.000 0.781 414 A CB -0.024 18.976 19.000 -0.001 0.000 0.842 414 A HN 0.352 nan 8.150 nan 0.000 0.475 415 E N -0.818 119.379 120.200 -0.005 0.000 2.340 415 E HA 0.269 4.619 4.350 0.001 0.000 0.198 415 E C -0.296 176.299 176.600 -0.009 0.000 0.961 415 E CA 0.444 56.841 56.400 -0.005 0.000 0.905 415 E CB 0.377 30.075 29.700 -0.002 0.000 0.884 415 E HN 0.511 nan 8.360 nan 0.000 0.491 416 L N 1.440 122.656 121.223 -0.012 0.000 2.381 416 L HA 0.281 4.622 4.340 0.001 0.000 0.274 416 L C 0.368 177.228 176.870 -0.017 0.000 0.988 416 L CA -0.773 54.057 54.840 -0.016 0.000 0.824 416 L CB 2.000 44.047 42.059 -0.020 0.000 1.263 416 L HN -0.101 nan 8.230 nan 0.000 0.410 417 S N 1.161 116.850 115.700 -0.019 0.000 2.606 417 S HA 0.168 4.638 4.470 0.001 0.000 0.257 417 S C 1.294 175.881 174.600 -0.022 0.000 1.327 417 S CA 0.004 58.193 58.200 -0.018 0.000 0.984 417 S CB 1.101 64.290 63.200 -0.018 0.000 0.941 417 S HN 0.788 nan 8.310 nan 0.000 0.576 418 G N -0.279 108.509 108.800 -0.020 0.000 2.443 418 G HA2 0.088 4.049 3.960 0.001 0.000 0.219 418 G HA3 0.088 4.049 3.960 0.001 0.000 0.219 418 G C 1.422 176.306 174.900 -0.027 0.000 1.131 418 G CA 0.816 45.902 45.100 -0.023 0.000 0.775 418 G HN 0.973 nan 8.290 nan 0.000 0.547 419 E N 1.045 121.229 120.200 -0.026 0.000 2.158 419 E HA 0.026 4.377 4.350 0.001 0.000 0.191 419 E C 2.042 178.617 176.600 -0.043 0.000 0.982 419 E CA 1.274 57.656 56.400 -0.030 0.000 0.823 419 E CB -0.486 29.198 29.700 -0.026 0.000 0.766 419 E HN 0.668 nan 8.360 nan 0.000 0.468 420 E N -0.012 120.163 120.200 -0.042 0.000 2.072 420 E HA 0.028 4.378 4.350 0.001 0.000 0.190 420 E C 2.293 178.860 176.600 -0.054 0.000 0.982 420 E CA 0.852 57.221 56.400 -0.053 0.000 0.803 420 E CB -0.085 29.590 29.700 -0.041 0.000 0.755 420 E HN 0.443 nan 8.360 nan 0.000 0.453 421 L N 1.221 122.420 121.223 -0.041 0.000 2.141 421 L HA -0.180 4.160 4.340 0.001 0.000 0.209 421 L C 1.823 178.671 176.870 -0.037 0.000 1.094 421 L CA 0.790 55.608 54.840 -0.036 0.000 0.763 421 L CB -0.322 41.719 42.059 -0.029 0.000 0.908 421 L HN 0.078 nan 8.230 nan 0.000 0.437 422 D N -0.251 120.126 120.400 -0.038 0.000 2.144 422 D HA -0.180 4.461 4.640 0.001 0.000 0.199 422 D C 2.250 178.538 176.300 -0.019 0.000 0.984 422 D CA 0.952 54.933 54.000 -0.031 0.000 0.834 422 D CB -0.036 40.748 40.800 -0.027 0.000 0.955 422 D HN 0.182 nan 8.370 nan 0.000 0.465 423 R N 0.192 120.657 120.500 -0.058 0.000 2.075 423 R HA 0.030 4.371 4.340 0.001 0.000 0.226 423 R C 2.375 178.636 176.300 -0.066 0.000 1.114 423 R CA 0.440 56.466 56.100 -0.122 0.000 0.972 423 R CB -0.268 29.861 30.300 -0.285 0.000 0.869 423 R HN 0.163 nan 8.270 nan 0.000 0.437 424 L N 0.725 121.910 121.223 -0.063 0.000 2.079 424 L HA -0.154 4.187 4.340 0.001 0.000 0.210 424 L C 1.659 178.513 176.870 -0.027 0.000 1.081 424 L CA 0.708 55.518 54.840 -0.050 0.000 0.752 424 L CB -0.144 41.879 42.059 -0.061 0.000 0.896 424 L HN 0.276 nan 8.230 nan 0.000 0.433 425 L N -0.360 120.864 121.223 0.002 0.000 2.653 425 L HA 0.104 4.445 4.340 0.001 0.000 0.232 425 L C 0.048 176.962 176.870 0.073 0.000 1.169 425 L CA 0.448 55.311 54.840 0.039 0.000 0.951 425 L CB -0.925 41.167 42.059 0.056 0.000 1.181 425 L HN 0.139 nan 8.230 nan 0.000 0.460 426 D N -0.188 120.271 120.400 0.100 0.000 2.280 426 D HA 0.252 4.892 4.640 0.001 0.000 0.236 426 D C -1.644 174.745 176.300 0.149 0.000 1.082 426 D CA -1.976 52.109 54.000 0.143 0.000 0.834 426 D CB 2.152 43.098 40.800 0.243 0.000 1.100 426 D HN -0.148 nan 8.370 nan 0.000 0.486 427 P HA -0.133 nan 4.420 nan 0.000 0.215 427 P C 1.034 178.381 177.300 0.078 0.000 1.153 427 P CA 1.489 64.652 63.100 0.105 0.000 0.853 427 P CB 0.111 31.855 31.700 0.074 0.000 0.788 428 A N -0.791 122.025 122.820 -0.007 0.000 2.084 428 A HA -0.233 4.088 4.320 0.001 0.000 0.221 428 A C 1.669 179.117 177.584 -0.226 0.000 1.161 428 A CA 1.555 53.509 52.037 -0.138 0.000 0.653 428 A CB -1.450 17.410 19.000 -0.234 0.000 0.802 428 A HN 0.316 nan 8.150 nan 0.000 0.457 429 H N -3.875 115.245 119.070 0.083 0.000 2.517 429 H HA 0.172 4.728 4.556 0.001 0.000 0.282 429 H C -0.551 174.894 175.328 0.195 0.000 1.023 429 H CA 0.279 56.385 56.048 0.097 0.000 1.169 429 H CB 0.234 30.040 29.762 0.073 0.000 1.454 429 H HN 0.550 nan 8.280 nan 0.000 0.556 430 Y N 0.749 121.087 120.300 0.063 0.000 2.614 430 Y HA 0.160 4.710 4.550 0.001 0.000 0.296 430 Y C 0.266 176.174 175.900 0.014 0.000 0.942 430 Y CA -0.476 57.650 58.100 0.044 0.000 1.111 430 Y CB -0.060 38.431 38.460 0.051 0.000 1.182 430 Y HN -0.041 nan 8.280 nan 0.000 0.624 431 L N 0.153 121.355 121.223 -0.035 0.000 2.592 431 L HA 0.333 4.674 4.340 0.001 0.000 0.227 431 L C 1.713 178.482 176.870 -0.168 0.000 1.127 431 L CA 0.865 55.653 54.840 -0.086 0.000 0.884 431 L CB -0.836 41.187 42.059 -0.060 0.000 1.065 431 L HN 0.550 nan 8.230 nan 0.000 0.457 432 G N 0.032 108.689 108.800 -0.238 0.000 2.652 432 G HA2 -0.391 3.570 3.960 0.001 0.000 0.318 432 G HA3 -0.391 3.570 3.960 0.001 0.000 0.318 432 G C 0.742 175.464 174.900 -0.297 0.000 1.295 432 G CA 0.461 45.405 45.100 -0.261 0.000 0.999 432 G HN 0.299 nan 8.290 nan 0.000 0.548 433 Q N 1.022 120.556 119.800 -0.444 0.000 2.322 433 Q HA 0.443 4.784 4.340 0.001 0.000 0.203 433 Q C 2.563 178.033 176.000 -0.882 0.000 0.923 433 Q CA 1.242 56.555 55.803 -0.817 0.000 0.949 433 Q CB -0.332 27.519 28.738 -1.478 0.000 1.039 433 Q HN 0.890 nan 8.270 nan 0.000 0.496 434 A N 1.642 124.209 122.820 -0.422 0.000 1.894 434 A HA -0.311 4.009 4.320 0.001 0.000 0.220 434 A C 2.160 179.663 177.584 -0.135 0.000 1.237 434 A CA 1.945 53.880 52.037 -0.170 0.000 0.660 434 A CB -0.459 18.502 19.000 -0.067 0.000 0.835 434 A HN 0.343 nan 8.150 nan 0.000 0.461 435 R N -1.125 119.285 120.500 -0.150 0.000 2.120 435 R HA -0.046 4.295 4.340 0.001 0.000 0.234 435 R C 2.058 178.300 176.300 -0.097 0.000 1.123 435 R CA 1.257 57.303 56.100 -0.089 0.000 0.975 435 R CB -0.458 29.793 30.300 -0.082 0.000 0.866 435 R HN 0.450 nan 8.270 nan 0.000 0.446 436 V N -0.367 119.409 119.914 -0.231 0.000 2.307 436 V HA -0.248 3.873 4.120 0.001 0.000 0.245 436 V C 1.860 177.967 176.094 0.022 0.000 1.045 436 V CA 1.735 63.914 62.300 -0.201 0.000 1.024 436 V CB -0.564 30.994 31.823 -0.441 0.000 0.651 436 V HN 0.459 nan 8.190 nan 0.000 0.449 437 W N -0.273 121.019 121.300 -0.013 0.000 2.318 437 W HA -0.203 4.457 4.660 0.001 0.000 0.313 437 W C 2.411 178.922 176.519 -0.013 0.000 1.221 437 W CA 0.688 58.024 57.345 -0.014 0.000 1.266 437 W CB -0.724 28.725 29.460 -0.019 0.000 1.150 437 W HN 0.040 nan 8.180 nan 0.000 0.496 438 V N 0.859 120.907 119.914 0.224 0.000 2.392 438 V HA -0.334 3.786 4.120 0.001 0.000 0.249 438 V C 2.343 178.493 176.094 0.094 0.000 1.059 438 V CA 1.951 64.324 62.300 0.122 0.000 1.051 438 V CB -1.509 30.360 31.823 0.078 0.000 0.658 438 V HN 0.281 nan 8.190 nan 0.000 0.455 439 A N 0.225 123.097 122.820 0.085 0.000 1.858 439 A HA -0.210 4.110 4.320 0.001 0.000 0.216 439 A C 2.388 180.023 177.584 0.085 0.000 1.190 439 A CA 1.819 53.895 52.037 0.066 0.000 0.617 439 A CB -0.484 18.539 19.000 0.039 0.000 0.827 439 A HN 0.508 nan 8.150 nan 0.000 0.443 440 R N -0.436 120.137 120.500 0.122 0.000 2.073 440 R HA -0.088 4.253 4.340 0.001 0.000 0.234 440 R C 2.498 178.855 176.300 0.094 0.000 1.134 440 R CA 1.271 57.444 56.100 0.121 0.000 0.952 440 R CB -0.545 29.863 30.300 0.180 0.000 0.850 440 R HN 0.509 nan 8.270 nan 0.000 0.433 441 A N 0.820 123.695 122.820 0.092 0.000 1.877 441 A HA -0.120 4.201 4.320 0.001 0.000 0.216 441 A C 2.402 180.029 177.584 0.072 0.000 1.186 441 A CA 1.502 53.570 52.037 0.053 0.000 0.620 441 A CB -0.590 18.425 19.000 0.025 0.000 0.822 441 A HN 0.123 nan 8.150 nan 0.000 0.443 442 V N -0.403 119.558 119.914 0.078 0.000 2.427 442 V HA -0.202 3.918 4.120 0.001 0.000 0.248 442 V C 2.798 178.975 176.094 0.137 0.000 1.051 442 V CA 2.200 64.566 62.300 0.110 0.000 1.048 442 V CB -0.753 31.119 31.823 0.081 0.000 0.666 442 V HN 0.683 nan 8.190 nan 0.000 0.456 443 S N -0.347 115.410 115.700 0.095 0.000 2.351 443 S HA -0.317 4.154 4.470 0.001 0.000 0.220 443 S C 2.099 176.747 174.600 0.080 0.000 1.035 443 S CA 2.293 60.539 58.200 0.076 0.000 1.031 443 S CB -0.348 62.890 63.200 0.063 0.000 0.928 443 S HN 0.697 nan 8.310 nan 0.000 0.433 444 E N -0.883 119.369 120.200 0.087 0.000 2.160 444 E HA -0.259 4.091 4.350 0.001 0.000 0.195 444 E C 1.941 178.616 176.600 0.124 0.000 0.991 444 E CA 1.416 57.870 56.400 0.089 0.000 0.810 444 E CB -0.223 29.519 29.700 0.070 0.000 0.742 444 E HN 0.794 nan 8.360 nan 0.000 0.466 445 H N 0.405 119.502 119.070 0.044 0.000 2.387 445 H HA -0.064 4.493 4.556 0.001 0.000 0.299 445 H C 1.846 177.236 175.328 0.103 0.000 1.090 445 H CA 2.089 58.166 56.048 0.049 0.000 1.332 445 H CB 0.108 29.874 29.762 0.006 0.000 1.386 445 H HN 0.175 nan 8.280 nan 0.000 0.516 446 Q N -0.326 119.415 119.800 -0.099 0.000 2.187 446 Q HA -0.037 4.304 4.340 0.001 0.000 0.199 446 Q C 2.262 178.224 176.000 -0.064 0.000 0.957 446 Q CA 0.525 56.243 55.803 -0.141 0.000 0.857 446 Q CB 0.237 28.957 28.738 -0.029 0.000 0.929 446 Q HN 0.379 nan 8.270 nan 0.000 0.453 447 R N 0.448 120.950 120.500 0.002 0.000 2.073 447 R HA -0.126 4.215 4.340 0.001 0.000 0.234 447 R C 2.065 178.373 176.300 0.012 0.000 1.134 447 R CA 1.106 57.214 56.100 0.013 0.000 0.952 447 R CB -0.955 29.370 30.300 0.043 0.000 0.850 447 R HN 0.262 nan 8.270 nan 0.000 0.433 448 F N 2.449 122.357 119.950 -0.070 0.000 2.065 448 F HA -0.301 4.227 4.527 0.001 0.000 0.298 448 F C 2.099 177.855 175.800 -0.074 0.000 1.112 448 F CA 2.195 60.160 58.000 -0.058 0.000 1.212 448 F CB -0.708 38.266 39.000 -0.044 0.000 0.975 448 F HN 0.030 nan 8.300 nan 0.000 0.476 449 T N 0.837 115.393 114.554 0.003 0.000 2.578 449 T HA -0.360 3.990 4.350 0.001 0.000 0.252 449 T C 1.175 175.757 174.700 -0.196 0.000 1.192 449 T CA 1.633 63.688 62.100 -0.074 0.000 1.143 449 T CB -1.319 67.495 68.868 -0.091 0.000 0.848 449 T HN 0.502 nan 8.240 nan 0.000 0.450 450 A N 0.000 122.712 122.820 -0.180 0.000 2.254 450 A HA 0.000 4.321 4.320 0.001 0.000 0.244 450 A CA 0.000 51.934 52.037 -0.172 0.000 0.836 450 A CB 0.000 18.935 19.000 -0.108 0.000 0.831 450 A HN 0.000 nan 8.150 nan 0.000 0.486