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 3h5z_1_A DATA FIRST_RESID 11 DATA SEQUENCE AHAFWSTQPV PQTEDETEKI VFAGPMDEPK TVADIPEEPY PIASTFEWWT DATA SEQUENCE PNMEAADDIH AIYELLRDNY VEDDDSMFRF NYSEEFLQWA LCPPNYIPDW DATA SEQUENCE HVAVRRKADK KLLAFIAGVP VTLRMGTPKY MKVKAQEKGE GEEAAKYDEP DATA SEQUENCE RHICEINFLC VHKQLREKRL APILIKEATR RVNRTNVWQA VYTAGVLLPT DATA SEQUENCE PYASGQYFHR SLNPEKLVEI RFSGIPAQYQ KFQNPMAMLK RNYQLPSAPK DATA SEQUENCE NSGLREMKPS DVPQVRRILM NYLDSFDVGP VFSDAEISHY LLPRDGVVFT DATA SEQUENCE YVVENDKKVT DFFSFYRIPS TVIGNSNYNL LNAAYVHYYA ATSIPLHQLI DATA SEQUENCE LDLLIVAHSR GFDVCNMVEI LDNRSFVEQL KFGAGDGHLR YYFYNWAYPK DATA SEQUENCE IKPSQVALVM L 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.419 177.584 -0.275 0.000 1.274 11 A CA 0.000 51.941 52.037 -0.161 0.000 0.836 11 A CB 0.000 18.868 19.000 -0.219 0.000 0.831 12 H N 0.093 119.234 119.070 0.118 0.000 2.716 12 H HA 0.555 5.111 4.556 0.000 0.000 0.260 12 H C 1.085 176.502 175.328 0.148 0.000 1.280 12 H CA 0.189 56.339 56.048 0.171 0.000 1.506 12 H CB 1.193 31.094 29.762 0.232 0.000 1.514 12 H HN 0.420 nan 8.280 nan 0.000 0.502 13 A N 2.618 125.567 122.820 0.215 0.000 2.019 13 A HA -0.188 4.132 4.320 0.000 0.000 0.219 13 A C 1.739 179.431 177.584 0.181 0.000 1.164 13 A CA 1.203 53.337 52.037 0.162 0.000 0.644 13 A CB -0.323 18.754 19.000 0.127 0.000 0.805 13 A HN 0.495 nan 8.150 nan 0.000 0.449 14 F N -1.823 118.148 119.950 0.036 0.000 2.243 14 F HA 0.124 4.651 4.527 0.000 0.000 0.287 14 F C 1.824 177.538 175.800 -0.143 0.000 1.067 14 F CA 0.536 58.462 58.000 -0.124 0.000 1.304 14 F CB -0.589 38.232 39.000 -0.299 0.000 1.087 14 F HN 0.294 nan 8.300 nan 0.000 0.513 15 W N 1.183 122.397 121.300 -0.143 0.000 2.425 15 W HA -0.114 4.546 4.660 -0.000 0.000 0.277 15 W C 2.811 179.204 176.519 -0.211 0.000 1.231 15 W CA 1.423 58.575 57.345 -0.322 0.000 1.248 15 W CB -0.582 28.753 29.460 -0.208 0.000 1.117 15 W HN 0.209 nan 8.180 nan 0.000 0.568 16 S N -0.827 114.940 115.700 0.112 0.000 2.507 16 S HA -0.155 4.315 4.470 0.000 0.000 0.235 16 S C 1.531 176.130 174.600 -0.001 0.000 0.988 16 S CA 1.440 59.690 58.200 0.083 0.000 0.944 16 S CB -0.966 62.303 63.200 0.115 0.000 0.762 16 S HN 0.293 nan 8.310 nan 0.000 0.526 17 T N -2.201 112.291 114.554 -0.103 0.000 3.069 17 T HA 0.272 4.623 4.350 0.000 0.000 0.252 17 T C 0.419 175.030 174.700 -0.148 0.000 1.053 17 T CA -0.479 61.557 62.100 -0.107 0.000 0.964 17 T CB 0.016 68.825 68.868 -0.098 0.000 1.005 17 T HN 0.200 nan 8.240 nan 0.000 0.532 18 Q N 2.188 121.880 119.800 -0.181 0.000 2.248 18 Q HA 0.390 4.730 4.340 0.000 0.000 0.263 18 Q C -2.709 173.244 176.000 -0.079 0.000 1.007 18 Q CA -2.631 53.088 55.803 -0.140 0.000 0.877 18 Q CB 1.620 30.262 28.738 -0.159 0.000 1.315 18 Q HN 0.119 nan 8.270 nan 0.000 0.454 19 P HA 0.086 nan 4.420 nan 0.000 0.231 19 P C -0.605 176.587 177.300 -0.181 0.000 1.811 19 P CA 0.012 63.003 63.100 -0.180 0.000 1.051 19 P CB -0.105 31.471 31.700 -0.206 0.000 1.951 20 V N -0.213 119.681 119.914 -0.033 0.000 3.040 20 V HA 0.723 4.843 4.120 0.000 0.000 0.312 20 V C -3.034 173.090 176.094 0.050 0.000 1.115 20 V CA -3.335 58.993 62.300 0.047 0.000 0.998 20 V CB 1.838 33.725 31.823 0.107 0.000 1.042 20 V HN -0.073 nan 8.190 nan 0.000 0.433 21 P HA 0.285 nan 4.420 nan 0.000 0.268 21 P C 0.003 177.329 177.300 0.044 0.000 1.205 21 P CA -0.025 63.106 63.100 0.052 0.000 0.771 21 P CB 0.527 32.268 31.700 0.068 0.000 0.858 22 Q N 0.281 120.105 119.800 0.040 0.000 2.376 22 Q HA 0.074 4.414 4.340 0.000 0.000 0.206 22 Q C 0.724 176.755 176.000 0.051 0.000 0.921 22 Q CA 1.032 56.864 55.803 0.048 0.000 0.911 22 Q CB 0.131 28.903 28.738 0.057 0.000 1.032 22 Q HN 0.618 nan 8.270 nan 0.000 0.510 23 T N -3.483 111.097 114.554 0.043 0.000 2.883 23 T HA 0.348 4.698 4.350 0.000 0.000 0.296 23 T C 0.754 175.473 174.700 0.032 0.000 1.117 23 T CA -0.768 61.357 62.100 0.043 0.000 1.006 23 T CB 2.137 71.029 68.868 0.040 0.000 1.191 23 T HN -0.262 nan 8.240 nan 0.000 0.508 24 E N 0.842 121.058 120.200 0.027 0.000 2.085 24 E HA -0.154 4.196 4.350 0.000 0.000 0.194 24 E C 1.509 178.117 176.600 0.013 0.000 0.994 24 E CA 1.648 58.058 56.400 0.017 0.000 0.801 24 E CB -0.170 29.535 29.700 0.008 0.000 0.743 24 E HN 0.695 nan 8.360 nan 0.000 0.453 25 D N 0.410 120.817 120.400 0.013 0.000 2.144 25 D HA -0.179 4.461 4.640 0.000 0.000 0.199 25 D C 1.903 178.204 176.300 0.003 0.000 0.984 25 D CA 0.798 54.801 54.000 0.006 0.000 0.834 25 D CB -0.100 40.704 40.800 0.007 0.000 0.955 25 D HN 0.376 nan 8.370 nan 0.000 0.465 26 E N 0.954 121.159 120.200 0.009 0.000 2.031 26 E HA -0.164 4.186 4.350 0.000 0.000 0.193 26 E C 1.792 178.392 176.600 -0.000 0.000 0.994 26 E CA 1.561 57.963 56.400 0.003 0.000 0.800 26 E CB 0.071 29.778 29.700 0.011 0.000 0.752 26 E HN 0.041 nan 8.360 nan 0.000 0.447 27 T N 0.914 115.478 114.554 0.016 0.000 2.778 27 T HA -0.184 4.166 4.350 0.000 0.000 0.269 27 T C 1.499 176.207 174.700 0.013 0.000 1.050 27 T CA 1.637 63.752 62.100 0.026 0.000 1.137 27 T CB -0.296 68.603 68.868 0.051 0.000 0.860 27 T HN 0.311 nan 8.240 nan 0.000 0.468 28 E N 0.433 120.637 120.200 0.007 0.000 2.265 28 E HA -0.098 4.252 4.350 0.000 0.000 0.196 28 E C 2.185 178.772 176.600 -0.021 0.000 0.996 28 E CA 0.605 57.006 56.400 0.002 0.000 0.832 28 E CB 0.013 29.713 29.700 -0.001 0.000 0.756 28 E HN 0.326 nan 8.360 nan 0.000 0.491 29 K N 1.007 121.386 120.400 -0.036 0.000 2.379 29 K HA 0.038 4.358 4.320 0.000 0.000 0.194 29 K C 0.238 176.769 176.600 -0.115 0.000 1.031 29 K CA 0.037 56.285 56.287 -0.065 0.000 1.037 29 K CB 0.314 32.784 32.500 -0.051 0.000 0.824 29 K HN 0.072 nan 8.250 nan 0.000 0.516 30 I N 2.381 122.883 120.570 -0.114 0.000 2.474 30 I HA -0.064 4.106 4.170 0.000 0.000 0.287 30 I C 1.240 177.189 176.117 -0.280 0.000 1.048 30 I CA -0.351 60.845 61.300 -0.174 0.000 1.383 30 I CB 1.697 39.625 38.000 -0.121 0.000 1.412 30 I HN -0.087 nan 8.210 nan 0.000 0.531 31 V N 2.612 122.257 119.914 -0.448 0.000 3.497 31 V HA 0.361 4.481 4.120 0.000 0.000 0.272 31 V C -0.128 175.544 176.094 -0.704 0.000 1.474 31 V CA 0.050 61.967 62.300 -0.638 0.000 1.025 31 V CB -0.136 31.199 31.823 -0.812 0.000 0.820 31 V HN 0.437 nan 8.190 nan 0.000 0.437 32 F N 1.364 121.187 119.950 -0.211 0.000 2.576 32 F HA 0.915 5.442 4.527 0.000 0.000 0.313 32 F C 0.495 176.127 175.800 -0.280 0.000 1.078 32 F CA -1.083 56.788 58.000 -0.215 0.000 0.921 32 F CB 1.409 40.324 39.000 -0.141 0.000 1.232 32 F HN 0.083 nan 8.300 nan 0.000 0.459 33 A N 1.162 123.936 122.820 -0.076 0.000 2.477 33 A HA 0.715 5.035 4.320 0.000 0.000 0.246 33 A C 0.389 177.621 177.584 -0.587 0.000 1.078 33 A CA 0.702 52.553 52.037 -0.311 0.000 0.770 33 A CB -0.319 18.720 19.000 0.064 0.000 1.011 33 A HN 1.378 nan 8.150 nan 0.000 0.494 34 G N 1.451 109.398 108.800 -1.421 0.000 2.322 34 G HA2 0.534 4.494 3.960 0.000 0.000 0.295 34 G HA3 0.534 4.494 3.960 0.000 0.000 0.295 34 G C -3.530 170.512 174.900 -1.430 0.000 1.369 34 G CA -0.614 43.480 45.100 -1.677 0.000 0.821 34 G HN 0.556 nan 8.290 nan 0.000 0.536 35 P HA 0.245 nan 4.420 nan 0.000 0.274 35 P C 0.750 177.949 177.300 -0.169 0.000 1.231 35 P CA -0.228 62.728 63.100 -0.239 0.000 0.790 35 P CB 0.948 32.602 31.700 -0.076 0.000 0.951 36 M N -0.536 119.027 119.600 -0.061 0.000 2.299 36 M HA 0.074 4.554 4.480 0.000 0.000 0.264 36 M C 0.502 176.779 176.300 -0.039 0.000 1.095 36 M CA 1.192 56.460 55.300 -0.053 0.000 1.165 36 M CB -0.801 31.777 32.600 -0.036 0.000 1.349 36 M HN 0.309 nan 8.290 nan 0.000 0.446 37 D N 1.895 122.283 120.400 -0.020 0.000 2.344 37 D HA 0.149 4.789 4.640 0.000 0.000 0.244 37 D C -0.211 176.065 176.300 -0.039 0.000 1.134 37 D CA -0.101 53.889 54.000 -0.016 0.000 0.930 37 D CB 0.726 41.536 40.800 0.017 0.000 1.175 37 D HN 0.223 nan 8.370 nan 0.000 0.437 38 E N 0.607 120.781 120.200 -0.043 0.000 2.459 38 E HA 0.180 4.530 4.350 0.000 0.000 0.264 38 E C -2.210 174.317 176.600 -0.121 0.000 1.055 38 E CA -1.043 55.319 56.400 -0.063 0.000 0.957 38 E CB -0.535 29.136 29.700 -0.048 0.000 0.952 38 E HN 0.098 nan 8.360 nan 0.000 0.448 39 P HA -0.018 nan 4.420 nan 0.000 0.264 39 P C -0.936 176.187 177.300 -0.294 0.000 1.183 39 P CA 0.422 63.375 63.100 -0.245 0.000 0.763 39 P CB 0.486 32.087 31.700 -0.166 0.000 0.807 40 K N 0.664 120.739 120.400 -0.542 0.000 2.395 40 K HA 0.671 4.991 4.320 0.000 0.000 0.245 40 K C -0.169 176.175 176.600 -0.427 0.000 1.017 40 K CA -0.842 55.191 56.287 -0.423 0.000 0.852 40 K CB 1.864 34.164 32.500 -0.334 0.000 1.311 40 K HN 0.426 nan 8.250 nan 0.000 0.452 41 T N -2.898 111.619 114.554 -0.062 0.000 2.932 41 T HA 0.216 4.566 4.350 0.000 0.000 0.289 41 T C 1.250 176.149 174.700 0.333 0.000 1.039 41 T CA -0.891 61.289 62.100 0.133 0.000 1.024 41 T CB 1.376 70.292 68.868 0.079 0.000 1.090 41 T HN 0.151 nan 8.240 nan 0.000 0.496 42 V N 1.666 121.795 119.914 0.359 0.000 2.317 42 V HA -0.201 3.919 4.120 0.000 0.000 0.251 42 V C 3.082 179.272 176.094 0.160 0.000 1.065 42 V CA 2.611 65.060 62.300 0.249 0.000 1.049 42 V CB -1.495 30.421 31.823 0.154 0.000 0.651 42 V HN 1.087 nan 8.190 nan 0.000 0.450 43 A N -0.568 122.329 122.820 0.127 0.000 2.019 43 A HA -0.217 4.103 4.320 0.000 0.000 0.219 43 A C 1.906 179.542 177.584 0.087 0.000 1.164 43 A CA 1.730 53.818 52.037 0.085 0.000 0.644 43 A CB -0.481 18.558 19.000 0.065 0.000 0.805 43 A HN 0.564 nan 8.150 nan 0.000 0.449 44 D N -0.144 120.322 120.400 0.111 0.000 2.269 44 D HA -0.005 4.635 4.640 0.000 0.000 0.208 44 D C 0.481 176.851 176.300 0.117 0.000 0.963 44 D CA 0.516 54.577 54.000 0.102 0.000 0.864 44 D CB -0.043 40.819 40.800 0.104 0.000 0.936 44 D HN 0.278 nan 8.370 nan 0.000 0.505 45 I N 2.143 122.796 120.570 0.137 0.000 2.395 45 I HA 0.180 4.350 4.170 0.000 0.000 0.289 45 I C -2.074 174.087 176.117 0.073 0.000 1.023 45 I CA -2.725 58.645 61.300 0.117 0.000 1.350 45 I CB 0.268 38.336 38.000 0.113 0.000 1.409 45 I HN -0.350 nan 8.210 nan 0.000 0.507 46 P HA 0.003 nan 4.420 nan 0.000 0.261 46 P C 0.641 177.959 177.300 0.029 0.000 1.173 46 P CA 0.297 63.427 63.100 0.050 0.000 0.760 46 P CB 0.634 32.370 31.700 0.060 0.000 0.783 47 E N 1.047 121.262 120.200 0.025 0.000 2.150 47 E HA -0.107 4.243 4.350 0.000 0.000 0.193 47 E C 0.315 176.919 176.600 0.006 0.000 0.985 47 E CA 0.824 57.232 56.400 0.013 0.000 0.814 47 E CB 0.200 29.910 29.700 0.017 0.000 0.752 47 E HN 0.539 nan 8.360 nan 0.000 0.466 48 E N 0.861 121.069 120.200 0.013 0.000 2.277 48 E HA 0.239 4.589 4.350 0.000 0.000 0.274 48 E C -2.321 174.284 176.600 0.008 0.000 1.022 48 E CA -2.544 53.866 56.400 0.016 0.000 0.853 48 E CB 0.480 30.197 29.700 0.028 0.000 1.086 48 E HN -0.078 nan 8.360 nan 0.000 0.397 49 P HA -0.097 nan 4.420 nan 0.000 0.267 49 P C -0.367 176.993 177.300 0.100 0.000 1.201 49 P CA 0.274 63.339 63.100 -0.059 0.000 0.775 49 P CB 0.142 31.808 31.700 -0.056 0.000 0.854 50 Y N 3.943 124.244 120.300 0.002 0.000 2.578 50 Y HA 0.103 4.653 4.550 -0.000 0.000 0.339 50 Y C -1.869 174.246 175.900 0.358 0.000 1.231 50 Y CA -1.349 56.846 58.100 0.159 0.000 1.461 50 Y CB -0.476 38.078 38.460 0.156 0.000 1.323 50 Y HN 0.381 nan 8.280 nan 0.000 0.590 51 P HA 0.277 nan 4.420 nan 0.000 0.271 51 P C -0.957 176.407 177.300 0.107 0.000 1.216 51 P CA 0.209 63.275 63.100 -0.057 0.000 0.776 51 P CB 0.726 32.293 31.700 -0.222 0.000 0.881 52 I N 0.792 121.415 120.570 0.088 0.000 2.994 52 I HA 0.611 4.781 4.170 0.000 0.000 0.306 52 I C -0.639 175.446 176.117 -0.054 0.000 1.195 52 I CA -1.415 59.895 61.300 0.018 0.000 1.001 52 I CB 2.020 39.916 38.000 -0.174 0.000 1.244 52 I HN 0.329 nan 8.210 nan 0.000 0.437 53 A N 2.785 125.537 122.820 -0.113 0.000 2.555 53 A HA 0.129 4.449 4.320 0.000 0.000 0.233 53 A C 1.282 178.724 177.584 -0.238 0.000 1.060 53 A CA 0.671 52.562 52.037 -0.242 0.000 0.759 53 A CB 0.078 18.776 19.000 -0.503 0.000 0.995 53 A HN 0.968 nan 8.150 nan 0.000 0.506 54 S N 0.828 116.415 115.700 -0.188 0.000 2.465 54 S HA -0.171 4.299 4.470 0.000 0.000 0.241 54 S C 1.343 175.862 174.600 -0.136 0.000 1.000 54 S CA 1.695 59.819 58.200 -0.127 0.000 0.964 54 S CB -0.939 62.207 63.200 -0.090 0.000 0.763 54 S HN 1.262 nan 8.310 nan 0.000 0.512 55 T N -1.934 112.465 114.554 -0.258 0.000 3.129 55 T HA 0.348 4.698 4.350 0.000 0.000 0.251 55 T C 0.127 174.844 174.700 0.027 0.000 1.117 55 T CA -0.332 61.657 62.100 -0.186 0.000 1.034 55 T CB -0.410 68.287 68.868 -0.285 0.000 0.968 55 T HN 0.234 nan 8.240 nan 0.000 0.526 56 F N 2.162 122.047 119.950 -0.108 0.000 2.557 56 F HA 0.738 5.265 4.527 0.000 0.000 0.336 56 F C 0.210 175.913 175.800 -0.162 0.000 1.058 56 F CA -2.370 55.540 58.000 -0.150 0.000 0.988 56 F CB 1.596 40.465 39.000 -0.219 0.000 1.275 56 F HN 0.306 nan 8.300 nan 0.000 0.488 57 E N -0.571 119.646 120.200 0.028 0.000 2.375 57 E HA 0.305 4.655 4.350 0.000 0.000 0.280 57 E C -2.179 174.423 176.600 0.003 0.000 0.972 57 E CA -0.931 55.467 56.400 -0.002 0.000 0.782 57 E CB 1.239 30.986 29.700 0.079 0.000 1.229 57 E HN 0.473 nan 8.360 nan 0.000 0.439 58 W N 1.772 123.176 121.300 0.173 0.000 2.190 58 W HA 0.365 5.025 4.660 0.000 0.000 0.330 58 W C -0.429 176.261 176.519 0.284 0.000 1.299 58 W CA -0.046 57.415 57.345 0.192 0.000 1.215 58 W CB 0.694 30.242 29.460 0.146 0.000 1.147 58 W HN 0.490 nan 8.180 nan 0.000 0.563 59 W N 3.036 124.548 121.300 0.354 0.000 3.042 59 W HA 0.445 5.105 4.660 0.000 0.000 0.337 59 W C -1.201 175.456 176.519 0.231 0.000 1.086 59 W CA -1.278 56.204 57.345 0.227 0.000 1.236 59 W CB 1.529 31.086 29.460 0.162 0.000 1.381 59 W HN 0.021 nan 8.180 nan 0.000 0.472 60 T N 8.266 122.660 114.554 -0.267 0.000 2.781 60 T HA 0.348 4.698 4.350 0.000 0.000 0.305 60 T C -2.353 171.830 174.700 -0.861 0.000 1.001 60 T CA -1.067 60.814 62.100 -0.366 0.000 0.950 60 T CB 0.882 69.670 68.868 -0.133 0.000 0.955 60 T HN 0.130 nan 8.240 nan 0.000 0.471 61 P HA 0.177 nan 4.420 nan 0.000 0.272 61 P C -0.339 176.765 177.300 -0.327 0.000 1.223 61 P CA -0.611 61.854 63.100 -1.059 0.000 0.784 61 P CB 0.567 31.767 31.700 -0.832 0.000 0.923 62 N N 2.604 121.211 118.700 -0.154 0.000 2.469 62 N HA 0.112 4.852 4.740 0.000 0.000 0.239 62 N C 0.550 176.074 175.510 0.024 0.000 1.053 62 N CA -0.150 52.899 53.050 -0.001 0.000 0.937 62 N CB -0.013 38.497 38.487 0.038 0.000 1.163 62 N HN 0.185 nan 8.380 nan 0.000 0.509 63 M N 1.873 121.509 119.600 0.061 0.000 2.633 63 M HA 0.086 4.566 4.480 0.000 0.000 0.226 63 M C 0.421 176.708 176.300 -0.022 0.000 1.137 63 M CA 0.442 55.733 55.300 -0.015 0.000 1.020 63 M CB -0.315 32.231 32.600 -0.090 0.000 1.675 63 M HN 0.571 nan 8.290 nan 0.000 0.500 64 E N 0.170 120.388 120.200 0.031 0.000 2.460 64 E HA 0.229 4.579 4.350 0.000 0.000 0.200 64 E C 0.334 176.953 176.600 0.031 0.000 1.011 64 E CA -0.161 56.255 56.400 0.027 0.000 0.912 64 E CB 0.676 30.413 29.700 0.061 0.000 0.953 64 E HN 0.318 nan 8.360 nan 0.000 0.494 65 A N 0.957 123.801 122.820 0.041 0.000 2.289 65 A HA 0.539 4.859 4.320 0.000 0.000 0.298 65 A C 1.157 178.771 177.584 0.049 0.000 1.208 65 A CA 0.185 52.251 52.037 0.048 0.000 0.845 65 A CB 0.840 19.881 19.000 0.068 0.000 1.125 65 A HN 0.185 nan 8.150 nan 0.000 0.517 66 A N 1.963 124.806 122.820 0.038 0.000 1.917 66 A HA -0.189 4.131 4.320 0.000 0.000 0.219 66 A C 1.539 179.165 177.584 0.070 0.000 1.182 66 A CA 2.122 54.180 52.037 0.035 0.000 0.633 66 A CB -0.475 18.530 19.000 0.008 0.000 0.819 66 A HN 0.815 nan 8.150 nan 0.000 0.448 67 D N -0.268 120.180 120.400 0.079 0.000 2.183 67 D HA -0.105 4.535 4.640 0.000 0.000 0.203 67 D C 1.130 177.545 176.300 0.192 0.000 0.969 67 D CA 1.362 55.433 54.000 0.119 0.000 0.842 67 D CB -0.333 40.520 40.800 0.088 0.000 0.957 67 D HN 0.393 nan 8.370 nan 0.000 0.484 68 D N 0.881 121.394 120.400 0.188 0.000 2.103 68 D HA -0.042 4.598 4.640 0.000 0.000 0.199 68 D C 2.334 178.714 176.300 0.134 0.000 0.978 68 D CA 0.297 54.448 54.000 0.252 0.000 0.829 68 D CB -0.307 40.612 40.800 0.198 0.000 0.981 68 D HN 0.236 nan 8.370 nan 0.000 0.464 69 I N 0.397 121.006 120.570 0.065 0.000 2.194 69 I HA -0.326 3.844 4.170 0.000 0.000 0.246 69 I C 2.356 178.517 176.117 0.074 0.000 1.093 69 I CA 1.316 62.621 61.300 0.009 0.000 1.355 69 I CB -0.329 37.675 38.000 0.006 0.000 1.046 69 I HN 0.098 nan 8.210 nan 0.000 0.413 70 H N 1.038 120.137 119.070 0.047 0.000 2.353 70 H HA -0.129 4.427 4.556 0.000 0.000 0.300 70 H C 2.179 177.592 175.328 0.141 0.000 1.090 70 H CA 1.748 57.855 56.048 0.099 0.000 1.327 70 H CB -0.010 29.787 29.762 0.057 0.000 1.383 70 H HN 0.297 nan 8.280 nan 0.000 0.508 71 A N 0.929 123.816 122.820 0.111 0.000 1.902 71 A HA -0.124 4.197 4.320 0.000 0.000 0.217 71 A C 2.277 179.830 177.584 -0.052 0.000 1.181 71 A CA 1.616 53.677 52.037 0.040 0.000 0.623 71 A CB -0.524 18.575 19.000 0.164 0.000 0.818 71 A HN 0.468 nan 8.150 nan 0.000 0.443 72 I N -1.472 119.038 120.570 -0.099 0.000 2.252 72 I HA -0.194 3.976 4.170 0.000 0.000 0.245 72 I C 2.370 178.313 176.117 -0.290 0.000 1.102 72 I CA 1.352 62.457 61.300 -0.324 0.000 1.385 72 I CB -1.648 35.968 38.000 -0.640 0.000 1.064 72 I HN 0.588 nan 8.210 nan 0.000 0.414 73 Y N 2.467 122.600 120.300 -0.279 0.000 2.114 73 Y HA -0.282 4.268 4.550 0.000 0.000 0.282 73 Y C 2.460 178.244 175.900 -0.193 0.000 1.165 73 Y CA 2.111 60.084 58.100 -0.212 0.000 1.148 73 Y CB -0.345 38.018 38.460 -0.162 0.000 0.972 73 Y HN 0.292 nan 8.280 nan 0.000 0.504 74 E N -0.208 119.750 120.200 -0.403 0.000 2.107 74 E HA -0.164 4.186 4.350 0.000 0.000 0.191 74 E C 2.083 178.518 176.600 -0.274 0.000 0.982 74 E CA 1.022 57.181 56.400 -0.401 0.000 0.809 74 E CB -0.321 29.238 29.700 -0.235 0.000 0.756 74 E HN 0.480 nan 8.360 nan 0.000 0.459 75 L N 1.098 122.202 121.223 -0.199 0.000 2.012 75 L HA -0.190 4.150 4.340 0.000 0.000 0.210 75 L C 2.019 178.813 176.870 -0.126 0.000 1.073 75 L CA 1.645 56.414 54.840 -0.118 0.000 0.748 75 L CB -0.207 41.806 42.059 -0.077 0.000 0.891 75 L HN 0.093 nan 8.230 nan 0.000 0.431 76 L N -0.969 120.140 121.223 -0.191 0.000 2.072 76 L HA -0.129 4.211 4.340 0.000 0.000 0.205 76 L C 2.765 179.610 176.870 -0.041 0.000 1.079 76 L CA 1.265 56.048 54.840 -0.095 0.000 0.752 76 L CB -0.706 41.216 42.059 -0.229 0.000 0.906 76 L HN 0.293 nan 8.230 nan 0.000 0.436 77 R N 0.488 120.830 120.500 -0.264 0.000 2.119 77 R HA -0.212 4.128 4.340 0.000 0.000 0.246 77 R C 1.210 177.460 176.300 -0.084 0.000 1.146 77 R CA 2.157 58.120 56.100 -0.229 0.000 0.962 77 R CB -0.098 29.885 30.300 -0.529 0.000 0.863 77 R HN 0.373 nan 8.270 nan 0.000 0.442 78 D N -1.178 119.158 120.400 -0.107 0.000 2.367 78 D HA 0.047 4.687 4.640 0.000 0.000 0.207 78 D C 0.409 176.662 176.300 -0.078 0.000 1.034 78 D CA 0.402 54.353 54.000 -0.080 0.000 0.861 78 D CB 0.363 41.104 40.800 -0.099 0.000 0.943 78 D HN 0.318 nan 8.370 nan 0.000 0.515 79 N N -0.821 117.858 118.700 -0.034 0.000 2.082 79 N HA -0.032 4.708 4.740 0.000 0.000 0.228 79 N C 0.017 175.613 175.510 0.144 0.000 1.341 79 N CA -0.242 52.797 53.050 -0.019 0.000 0.873 79 N CB 1.360 39.774 38.487 -0.122 0.000 1.137 79 N HN 0.061 nan 8.380 nan 0.000 0.505 80 Y N 2.107 122.440 120.300 0.055 0.000 2.576 80 Y HA 0.269 4.819 4.550 0.000 0.000 0.406 80 Y C 0.849 176.840 175.900 0.152 0.000 1.381 80 Y CA -0.661 57.531 58.100 0.152 0.000 1.763 80 Y CB 0.113 38.728 38.460 0.259 0.000 1.736 80 Y HN -0.349 nan 8.280 nan 0.000 0.634 81 V N 3.135 122.864 119.914 -0.308 0.000 2.540 81 V HA 0.076 4.196 4.120 0.000 0.000 0.297 81 V C -0.351 175.615 176.094 -0.214 0.000 1.024 81 V CA 0.412 62.531 62.300 -0.303 0.000 1.105 81 V CB -0.677 30.925 31.823 -0.367 0.000 0.938 81 V HN 0.648 nan 8.190 nan 0.000 0.482 82 E N 3.697 123.800 120.200 -0.161 0.000 2.393 82 E HA 0.503 4.853 4.350 0.000 0.000 0.273 82 E C -1.240 175.287 176.600 -0.122 0.000 0.918 82 E CA -1.091 55.229 56.400 -0.133 0.000 0.773 82 E CB 1.886 31.544 29.700 -0.069 0.000 1.275 82 E HN 0.638 nan 8.360 nan 0.000 0.451 83 D N 1.399 121.739 120.400 -0.099 0.000 2.371 83 D HA -0.018 4.623 4.640 0.000 0.000 0.242 83 D C -0.029 176.225 176.300 -0.077 0.000 1.218 83 D CA -0.260 53.690 54.000 -0.084 0.000 0.945 83 D CB 0.809 41.581 40.800 -0.046 0.000 1.137 83 D HN 0.367 nan 8.370 nan 0.000 0.464 84 D N -0.446 119.914 120.400 -0.065 0.000 2.264 84 D HA -0.094 4.546 4.640 0.000 0.000 0.208 84 D C 0.557 176.819 176.300 -0.063 0.000 0.966 84 D CA 0.842 54.811 54.000 -0.053 0.000 0.864 84 D CB -0.032 40.745 40.800 -0.038 0.000 0.933 84 D HN 0.406 nan 8.370 nan 0.000 0.499 85 D N -0.072 120.276 120.400 -0.086 0.000 2.328 85 D HA 0.028 4.668 4.640 0.000 0.000 0.221 85 D C -0.011 176.209 176.300 -0.133 0.000 1.072 85 D CA 0.040 53.979 54.000 -0.103 0.000 0.850 85 D CB 0.150 40.882 40.800 -0.113 0.000 0.922 85 D HN -0.197 nan 8.370 nan 0.000 0.516 86 S N 0.265 115.889 115.700 -0.127 0.000 3.477 86 S HA -0.235 4.235 4.470 0.000 0.000 0.371 86 S C 1.263 175.730 174.600 -0.222 0.000 0.965 86 S CA 0.378 58.496 58.200 -0.137 0.000 1.239 86 S CB -1.166 61.978 63.200 -0.094 0.000 0.918 86 S HN 0.426 nan 8.310 nan 0.000 0.498 87 M N -1.055 118.324 119.600 -0.369 0.000 2.552 87 M HA 0.230 4.710 4.480 0.000 0.000 0.264 87 M C -0.108 175.662 176.300 -0.884 0.000 1.159 87 M CA 1.299 56.155 55.300 -0.741 0.000 1.176 87 M CB 0.293 32.192 32.600 -1.169 0.000 1.327 87 M HN 0.373 nan 8.290 nan 0.000 0.481 88 F N -0.248 119.674 119.950 -0.047 0.000 2.565 88 F HA 0.580 5.107 4.527 0.000 0.000 0.313 88 F C -0.219 175.531 175.800 -0.083 0.000 1.091 88 F CA -1.128 56.845 58.000 -0.044 0.000 0.915 88 F CB 1.350 40.328 39.000 -0.037 0.000 1.208 88 F HN -0.159 nan 8.300 nan 0.000 0.453 89 R N 1.582 122.163 120.500 0.134 0.000 2.621 89 R HA 0.596 4.937 4.340 0.000 0.000 0.284 89 R C -1.561 174.830 176.300 0.151 0.000 0.998 89 R CA -0.689 55.447 56.100 0.059 0.000 0.895 89 R CB 1.141 31.480 30.300 0.064 0.000 1.195 89 R HN 0.430 nan 8.270 nan 0.000 0.450 90 F N 2.159 122.200 119.950 0.151 0.000 2.602 90 F HA 0.076 4.603 4.527 0.000 0.000 0.367 90 F C 1.060 176.960 175.800 0.167 0.000 1.126 90 F CA 0.308 58.399 58.000 0.152 0.000 1.321 90 F CB 0.526 39.705 39.000 0.299 0.000 1.094 90 F HN 0.516 nan 8.300 nan 0.000 0.594 91 N N 3.368 122.249 118.700 0.300 0.000 2.757 91 N HA 0.090 4.830 4.740 0.000 0.000 0.296 91 N C -1.259 174.365 175.510 0.191 0.000 1.874 91 N CA -0.426 52.752 53.050 0.213 0.000 0.885 91 N CB -0.450 38.151 38.487 0.189 0.000 1.242 91 N HN 0.318 nan 8.380 nan 0.000 0.488 92 Y N 0.554 120.910 120.300 0.093 0.000 2.895 92 Y HA -0.098 4.452 4.550 0.000 0.000 0.334 92 Y C 1.703 177.724 175.900 0.201 0.000 1.261 92 Y CA 0.363 58.448 58.100 -0.024 0.000 1.560 92 Y CB 0.336 38.715 38.460 -0.135 0.000 1.253 92 Y HN 0.273 nan 8.280 nan 0.000 0.582 93 S N 1.466 117.367 115.700 0.336 0.000 2.645 93 S HA 0.145 4.615 4.470 0.000 0.000 0.266 93 S C 0.910 175.652 174.600 0.236 0.000 1.258 93 S CA -0.629 57.740 58.200 0.282 0.000 0.990 93 S CB 1.200 64.519 63.200 0.197 0.000 0.967 93 S HN 0.771 nan 8.310 nan 0.000 0.556 94 E N 0.819 121.010 120.200 -0.015 0.000 2.085 94 E HA -0.178 4.172 4.350 0.000 0.000 0.194 94 E C 1.869 178.507 176.600 0.064 0.000 0.994 94 E CA 1.728 58.119 56.400 -0.015 0.000 0.801 94 E CB -0.193 29.424 29.700 -0.137 0.000 0.743 94 E HN 0.777 nan 8.360 nan 0.000 0.453 95 E N 0.222 120.464 120.200 0.069 0.000 2.110 95 E HA -0.169 4.182 4.350 0.000 0.000 0.193 95 E C 1.624 178.322 176.600 0.164 0.000 0.988 95 E CA 0.804 57.247 56.400 0.073 0.000 0.804 95 E CB -0.236 29.478 29.700 0.023 0.000 0.745 95 E HN 0.244 nan 8.360 nan 0.000 0.458 96 F N 0.619 120.642 119.950 0.122 0.000 2.102 96 F HA -0.168 4.359 4.527 0.000 0.000 0.298 96 F C 1.714 177.659 175.800 0.242 0.000 1.105 96 F CA 1.129 59.289 58.000 0.267 0.000 1.239 96 F CB 0.064 39.272 39.000 0.346 0.000 0.991 96 F HN -0.041 nan 8.300 nan 0.000 0.474 97 L N -0.127 121.319 121.223 0.373 0.000 2.083 97 L HA -0.244 4.096 4.340 0.000 0.000 0.209 97 L C 2.512 179.377 176.870 -0.009 0.000 1.083 97 L CA 1.563 56.434 54.840 0.053 0.000 0.752 97 L CB -0.871 41.090 42.059 -0.163 0.000 0.899 97 L HN 0.269 nan 8.230 nan 0.000 0.433 98 Q N -0.536 119.284 119.800 0.033 0.000 2.079 98 Q HA -0.260 4.080 4.340 0.000 0.000 0.200 98 Q C 2.148 178.174 176.000 0.043 0.000 0.974 98 Q CA 1.890 57.688 55.803 -0.009 0.000 0.840 98 Q CB -0.232 28.512 28.738 0.011 0.000 0.898 98 Q HN 0.534 nan 8.270 nan 0.000 0.430 99 W N 0.644 121.871 121.300 -0.122 0.000 2.355 99 W HA -0.163 4.497 4.660 0.000 0.000 0.309 99 W C 2.044 178.543 176.519 -0.034 0.000 1.206 99 W CA 2.269 59.522 57.345 -0.155 0.000 1.284 99 W CB -0.651 28.606 29.460 -0.340 0.000 1.145 99 W HN 0.192 nan 8.180 nan 0.000 0.502 100 A N -0.032 122.714 122.820 -0.124 0.000 1.969 100 A HA -0.084 4.236 4.320 0.000 0.000 0.218 100 A C 2.075 179.615 177.584 -0.074 0.000 1.169 100 A CA 1.652 53.560 52.037 -0.214 0.000 0.635 100 A CB -0.831 18.276 19.000 0.178 0.000 0.810 100 A HN 0.394 nan 8.150 nan 0.000 0.445 101 L N -1.468 119.694 121.223 -0.103 0.000 2.529 101 L HA 0.040 4.380 4.340 0.000 0.000 0.223 101 L C 0.184 176.899 176.870 -0.259 0.000 1.113 101 L CA 0.002 54.753 54.840 -0.149 0.000 0.861 101 L CB 0.270 42.098 42.059 -0.384 0.000 1.012 101 L HN 0.358 nan 8.230 nan 0.000 0.461 102 C N 0.880 119.937 119.300 -0.406 0.000 2.975 102 C HA 0.330 4.790 4.460 0.000 0.000 0.234 102 C C -1.872 172.761 174.990 -0.595 0.000 1.666 102 C CA -1.365 57.152 59.018 -0.836 0.000 1.534 102 C CB -0.552 26.725 27.740 -0.772 0.000 2.642 102 C HN 0.137 nan 8.230 nan 0.000 0.516 103 P HA 0.251 nan 4.420 nan 0.000 0.275 103 P C -2.742 174.294 177.300 -0.440 0.000 1.266 103 P CA -1.292 61.200 63.100 -1.014 0.000 0.793 103 P CB -0.283 31.081 31.700 -0.561 0.000 1.074 104 P HA -0.067 nan 4.420 nan 0.000 0.261 104 P C 0.151 177.405 177.300 -0.076 0.000 1.173 104 P CA 1.006 64.015 63.100 -0.150 0.000 0.760 104 P CB -0.359 31.277 31.700 -0.107 0.000 0.783 105 N N -0.538 118.114 118.700 -0.081 0.000 2.741 105 N HA -0.223 4.517 4.740 0.000 0.000 0.251 105 N C 0.006 175.388 175.510 -0.213 0.000 1.112 105 N CA 0.805 53.765 53.050 -0.150 0.000 0.750 105 N CB -2.269 36.144 38.487 -0.123 0.000 1.119 105 N HN 0.613 nan 8.380 nan 0.000 0.561 106 Y N -0.056 120.096 120.300 -0.247 0.000 2.511 106 Y HA 0.437 4.987 4.550 0.000 0.000 0.347 106 Y C 0.596 176.235 175.900 -0.435 0.000 1.257 106 Y CA -0.594 57.322 58.100 -0.307 0.000 1.469 106 Y CB 0.406 38.750 38.460 -0.193 0.000 1.353 106 Y HN 0.040 nan 8.280 nan 0.000 0.617 107 I N 4.764 124.908 120.570 -0.711 0.000 2.354 107 I HA 0.279 4.449 4.170 0.000 0.000 0.286 107 I C -1.871 173.825 176.117 -0.702 0.000 1.007 107 I CA -2.105 58.646 61.300 -0.915 0.000 1.167 107 I CB 1.665 38.752 38.000 -1.521 0.000 1.320 107 I HN 0.534 nan 8.210 nan 0.000 0.458 108 P HA -0.165 nan 4.420 nan 0.000 0.216 108 P C 1.136 178.262 177.300 -0.291 0.000 1.150 108 P CA 1.069 63.955 63.100 -0.356 0.000 0.837 108 P CB 0.274 31.836 31.700 -0.229 0.000 0.786 109 D N -2.034 118.228 120.400 -0.230 0.000 2.265 109 D HA -0.172 4.468 4.640 0.000 0.000 0.208 109 D C 0.926 177.280 176.300 0.088 0.000 0.977 109 D CA 0.806 54.766 54.000 -0.067 0.000 0.871 109 D CB -0.422 40.359 40.800 -0.031 0.000 0.925 109 D HN 0.103 nan 8.370 nan 0.000 0.485 110 W N 0.456 121.609 121.300 -0.246 0.000 3.077 110 W HA 0.134 4.794 4.660 -0.000 0.000 0.245 110 W C 0.175 176.643 176.519 -0.085 0.000 1.316 110 W CA -0.020 57.216 57.345 -0.181 0.000 1.537 110 W CB -1.072 28.299 29.460 -0.149 0.000 1.131 110 W HN 0.184 nan 8.180 nan 0.000 0.695 111 H N -0.459 118.690 119.070 0.132 0.000 2.690 111 H HA 0.384 4.940 4.556 0.000 0.000 0.289 111 H C -0.500 174.829 175.328 0.001 0.000 1.089 111 H CA -0.605 55.468 56.048 0.042 0.000 1.299 111 H CB 1.194 31.051 29.762 0.158 0.000 1.405 111 H HN -0.442 nan 8.280 nan 0.000 0.463 112 V N 2.981 122.886 119.914 -0.015 0.000 2.409 112 V HA 0.620 4.740 4.120 0.000 0.000 0.291 112 V C -0.030 176.191 176.094 0.211 0.000 1.020 112 V CA -0.649 61.681 62.300 0.050 0.000 0.848 112 V CB 1.270 33.057 31.823 -0.060 0.000 0.990 112 V HN 0.880 nan 8.190 nan 0.000 0.430 113 A N 4.432 127.493 122.820 0.403 0.000 2.423 113 A HA 0.950 5.270 4.320 0.000 0.000 0.304 113 A C -1.045 176.827 177.584 0.482 0.000 1.104 113 A CA -0.648 51.693 52.037 0.508 0.000 0.757 113 A CB 2.079 21.452 19.000 0.621 0.000 1.313 113 A HN 0.609 nan 8.150 nan 0.000 0.423 114 V N 1.926 122.007 119.914 0.278 0.000 2.513 114 V HA 0.669 4.789 4.120 0.000 0.000 0.299 114 V C 0.065 176.155 176.094 -0.006 0.000 1.035 114 V CA -0.587 61.727 62.300 0.025 0.000 0.889 114 V CB 1.491 33.156 31.823 -0.263 0.000 0.988 114 V HN 1.077 nan 8.190 nan 0.000 0.440 115 R N 3.152 123.628 120.500 -0.040 0.000 2.854 115 R HA 0.755 5.095 4.340 0.000 0.000 0.271 115 R C -0.522 175.705 176.300 -0.122 0.000 0.994 115 R CA -1.093 54.946 56.100 -0.102 0.000 0.945 115 R CB 2.017 32.243 30.300 -0.123 0.000 1.194 115 R HN 0.571 nan 8.270 nan 0.000 0.476 116 R N 1.586 122.023 120.500 -0.105 0.000 2.347 116 R HA 0.049 4.389 4.340 0.000 0.000 0.304 116 R C 0.781 177.094 176.300 0.022 0.000 1.072 116 R CA -0.013 56.104 56.100 0.029 0.000 0.980 116 R CB 0.895 31.200 30.300 0.009 0.000 0.986 116 R HN 0.840 nan 8.270 nan 0.000 0.448 117 K N 3.524 123.965 120.400 0.068 0.000 2.057 117 K HA -0.159 4.161 4.320 0.000 0.000 0.207 117 K C 1.709 178.308 176.600 -0.003 0.000 1.049 117 K CA 1.617 57.918 56.287 0.023 0.000 0.931 117 K CB -0.080 32.440 32.500 0.033 0.000 0.714 117 K HN 0.749 nan 8.250 nan 0.000 0.440 118 A N 1.815 124.637 122.820 0.003 0.000 1.903 118 A HA -0.221 4.099 4.320 0.000 0.000 0.219 118 A C 1.555 179.125 177.584 -0.024 0.000 1.191 118 A CA 2.408 54.439 52.037 -0.010 0.000 0.638 118 A CB -0.404 18.592 19.000 -0.007 0.000 0.823 118 A HN 0.718 nan 8.150 nan 0.000 0.451 119 D N -3.789 116.590 120.400 -0.034 0.000 2.525 119 D HA 0.101 4.741 4.640 0.000 0.000 0.231 119 D C 0.334 176.586 176.300 -0.080 0.000 1.216 119 D CA 0.446 54.417 54.000 -0.049 0.000 0.813 119 D CB -0.218 40.557 40.800 -0.042 0.000 1.108 119 D HN 0.447 nan 8.370 nan 0.000 0.524 120 K N 0.183 120.525 120.400 -0.097 0.000 3.423 120 K HA -0.181 4.139 4.320 0.000 0.000 0.306 120 K C 0.124 176.618 176.600 -0.176 0.000 1.331 120 K CA 0.561 56.748 56.287 -0.167 0.000 0.905 120 K CB -1.583 30.791 32.500 -0.209 0.000 1.332 120 K HN 0.255 nan 8.250 nan 0.000 0.473 121 K N 2.007 122.333 120.400 -0.123 0.000 2.416 121 K HA 0.102 4.422 4.320 0.000 0.000 0.283 121 K C -0.056 176.471 176.600 -0.121 0.000 1.037 121 K CA -0.349 55.870 56.287 -0.114 0.000 0.995 121 K CB 0.382 32.819 32.500 -0.106 0.000 0.938 121 K HN 0.123 nan 8.250 nan 0.000 0.475 122 L N 5.978 127.148 121.223 -0.088 0.000 2.462 122 L HA 0.044 4.384 4.340 0.000 0.000 0.272 122 L C 0.318 177.178 176.870 -0.017 0.000 1.166 122 L CA 0.659 55.481 54.840 -0.030 0.000 0.880 122 L CB 0.542 42.620 42.059 0.030 0.000 1.142 122 L HN 0.824 nan 8.230 nan 0.000 0.473 123 L N 4.721 125.915 121.223 -0.049 0.000 2.577 123 L HA 0.572 4.912 4.340 0.000 0.000 0.225 123 L C 0.474 177.357 176.870 0.022 0.000 1.053 123 L CA 0.378 55.166 54.840 -0.087 0.000 0.866 123 L CB -0.035 41.817 42.059 -0.345 0.000 1.132 123 L HN 0.763 nan 8.230 nan 0.000 0.486 124 A N -0.481 122.378 122.820 0.065 0.000 2.597 124 A HA 0.646 4.966 4.320 0.000 0.000 0.292 124 A C -2.115 175.635 177.584 0.278 0.000 1.057 124 A CA -0.308 51.806 52.037 0.128 0.000 0.674 124 A CB 1.775 20.801 19.000 0.044 0.000 1.278 124 A HN -0.059 nan 8.150 nan 0.000 0.416 125 F N 0.258 120.254 119.950 0.078 0.000 2.668 125 F HA 0.855 5.382 4.527 0.000 0.000 0.309 125 F C -1.429 174.423 175.800 0.088 0.000 1.117 125 F CA -0.873 57.178 58.000 0.085 0.000 0.951 125 F CB 1.569 40.591 39.000 0.037 0.000 1.323 125 F HN 0.776 nan 8.300 nan 0.000 0.451 126 I N 2.924 123.091 120.570 -0.671 0.000 2.775 126 I HA 0.771 4.941 4.170 0.000 0.000 0.295 126 I C -1.962 173.647 176.117 -0.847 0.000 1.287 126 I CA -0.566 60.389 61.300 -0.576 0.000 1.029 126 I CB 1.945 39.804 38.000 -0.235 0.000 1.282 126 I HN 0.894 nan 8.210 nan 0.000 0.426 127 A N 4.486 127.011 122.820 -0.492 0.000 2.414 127 A HA 0.897 5.217 4.320 0.000 0.000 0.306 127 A C -0.688 176.917 177.584 0.036 0.000 1.054 127 A CA -0.334 51.573 52.037 -0.217 0.000 0.724 127 A CB 1.667 20.607 19.000 -0.101 0.000 1.267 127 A HN 0.863 nan 8.150 nan 0.000 0.418 128 G N 0.097 109.018 108.800 0.201 0.000 2.452 128 G HA2 0.710 4.670 3.960 0.000 0.000 0.324 128 G HA3 0.710 4.670 3.960 0.000 0.000 0.324 128 G C -0.594 174.633 174.900 0.545 0.000 1.214 128 G CA -0.099 45.151 45.100 0.250 0.000 0.947 128 G HN 1.872 nan 8.290 nan 0.000 0.478 129 V N -0.646 119.555 119.914 0.478 0.000 2.962 129 V HA 0.861 4.981 4.120 0.000 0.000 0.313 129 V C -2.664 173.722 176.094 0.487 0.000 1.099 129 V CA -2.791 59.780 62.300 0.452 0.000 0.971 129 V CB 2.473 34.472 31.823 0.293 0.000 1.028 129 V HN 0.628 nan 8.190 nan 0.000 0.430 130 P HA 0.453 nan 4.420 nan 0.000 0.278 130 P C -0.879 176.575 177.300 0.255 0.000 1.238 130 P CA -0.084 63.216 63.100 0.333 0.000 0.794 130 P CB 2.009 33.766 31.700 0.095 0.000 0.955 131 V N 2.246 122.291 119.914 0.218 0.000 3.012 131 V HA 0.404 4.524 4.120 0.000 0.000 0.307 131 V C -0.831 175.293 176.094 0.050 0.000 1.166 131 V CA -0.448 61.944 62.300 0.153 0.000 0.974 131 V CB 2.645 34.545 31.823 0.128 0.000 1.040 131 V HN 0.530 nan 8.190 nan 0.000 0.428 132 T N 6.675 121.204 114.554 -0.042 0.000 2.744 132 T HA 0.641 4.991 4.350 0.000 0.000 0.291 132 T C -0.786 173.777 174.700 -0.229 0.000 0.957 132 T CA -0.023 61.934 62.100 -0.238 0.000 1.002 132 T CB 0.882 69.554 68.868 -0.327 0.000 0.919 132 T HN 0.507 nan 8.240 nan 0.000 0.468 133 L N 3.677 124.765 121.223 -0.224 0.000 2.385 133 L HA 0.509 4.849 4.340 0.000 0.000 0.273 133 L C -0.214 176.545 176.870 -0.185 0.000 0.990 133 L CA -0.630 54.098 54.840 -0.186 0.000 0.821 133 L CB 1.609 43.584 42.059 -0.139 0.000 1.279 133 L HN 0.505 nan 8.230 nan 0.000 0.412 134 R N 6.020 126.441 120.500 -0.132 0.000 2.401 134 R HA 0.391 4.731 4.340 0.000 0.000 0.299 134 R C 0.173 176.437 176.300 -0.061 0.000 1.064 134 R CA 0.310 56.367 56.100 -0.073 0.000 1.000 134 R CB 0.370 30.654 30.300 -0.026 0.000 0.973 134 R HN 0.782 nan 8.270 nan 0.000 0.438 135 M N -0.509 119.063 119.600 -0.046 0.000 3.741 135 M HA 0.283 4.763 4.480 0.000 0.000 0.507 135 M C 0.061 176.581 176.300 0.366 0.000 1.722 135 M CA -0.523 54.745 55.300 -0.052 0.000 0.692 135 M CB 1.032 33.274 32.600 -0.597 0.000 1.492 135 M HN 0.519 nan 8.290 nan 0.000 0.555 136 G N 1.285 110.277 108.800 0.319 0.000 2.616 136 G HA2 0.432 4.392 3.960 0.000 0.000 0.268 136 G HA3 0.432 4.392 3.960 0.000 0.000 0.268 136 G C -0.341 174.764 174.900 0.342 0.000 1.213 136 G CA -0.311 45.010 45.100 0.369 0.000 0.926 136 G HN 0.319 nan 8.290 nan 0.000 0.523 137 T N 2.872 117.534 114.554 0.180 0.000 2.891 137 T HA 0.179 4.529 4.350 0.000 0.000 0.296 137 T C -1.747 172.944 174.700 -0.015 0.000 1.025 137 T CA -0.139 61.958 62.100 -0.004 0.000 1.149 137 T CB 0.782 69.656 68.868 0.009 0.000 1.007 137 T HN 0.375 nan 8.240 nan 0.000 0.528 138 P HA 0.194 nan 4.420 nan 0.000 0.274 138 P C 0.747 178.024 177.300 -0.038 0.000 1.246 138 P CA -0.533 62.565 63.100 -0.004 0.000 0.795 138 P CB 1.012 32.733 31.700 0.033 0.000 1.006 139 K N 0.759 121.195 120.400 0.061 0.000 2.015 139 K HA -0.228 4.092 4.320 0.000 0.000 0.216 139 K C 2.224 178.856 176.600 0.053 0.000 1.052 139 K CA 2.418 58.739 56.287 0.056 0.000 0.937 139 K CB -0.903 31.643 32.500 0.077 0.000 0.719 139 K HN 0.611 nan 8.250 nan 0.000 0.446 140 Y N -0.353 119.941 120.300 -0.009 0.000 2.274 140 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 140 Y C 1.940 177.823 175.900 -0.030 0.000 1.145 140 Y CA 0.873 58.961 58.100 -0.019 0.000 1.203 140 Y CB -0.232 38.215 38.460 -0.022 0.000 0.984 140 Y HN -0.068 nan 8.280 nan 0.000 0.533 141 M N 0.870 120.042 119.600 -0.712 0.000 2.288 141 M HA -0.037 4.443 4.480 0.000 0.000 0.266 141 M C 1.865 178.032 176.300 -0.222 0.000 1.072 141 M CA 1.224 56.176 55.300 -0.580 0.000 1.132 141 M CB -0.642 31.524 32.600 -0.723 0.000 1.386 141 M HN 0.343 nan 8.290 nan 0.000 0.432 142 K N -0.152 120.166 120.400 -0.137 0.000 2.211 142 K HA -0.063 4.257 4.320 0.000 0.000 0.203 142 K C 1.960 178.547 176.600 -0.021 0.000 1.050 142 K CA 0.766 57.028 56.287 -0.041 0.000 0.945 142 K CB 0.041 32.530 32.500 -0.017 0.000 0.732 142 K HN 0.112 nan 8.250 nan 0.000 0.451 143 V N 1.287 121.189 119.914 -0.020 0.000 2.379 143 V HA -0.212 3.908 4.120 0.000 0.000 0.245 143 V C 1.858 177.952 176.094 -0.001 0.000 1.044 143 V CA 1.601 63.904 62.300 0.004 0.000 1.036 143 V CB -0.250 31.590 31.823 0.029 0.000 0.664 143 V HN 0.246 nan 8.190 nan 0.000 0.453 144 K N 0.479 120.865 120.400 -0.022 0.000 2.097 144 K HA -0.116 4.204 4.320 0.000 0.000 0.206 144 K C 2.280 178.875 176.600 -0.008 0.000 1.049 144 K CA 1.484 57.756 56.287 -0.025 0.000 0.933 144 K CB -0.427 32.035 32.500 -0.063 0.000 0.717 144 K HN 0.470 nan 8.250 nan 0.000 0.442 145 A N 1.210 124.035 122.820 0.009 0.000 1.902 145 A HA -0.195 4.125 4.320 0.000 0.000 0.217 145 A C 2.073 179.683 177.584 0.042 0.000 1.181 145 A CA 1.229 53.311 52.037 0.075 0.000 0.623 145 A CB -0.344 18.735 19.000 0.132 0.000 0.818 145 A HN 0.185 nan 8.150 nan 0.000 0.443 146 Q N -0.141 119.671 119.800 0.020 0.000 2.135 146 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 146 Q C 1.802 177.808 176.000 0.010 0.000 0.981 146 Q CA 1.833 57.642 55.803 0.011 0.000 0.856 146 Q CB -0.378 28.363 28.738 0.006 0.000 0.902 146 Q HN 0.822 nan 8.270 nan 0.000 0.425 147 E N 0.350 120.556 120.200 0.010 0.000 2.150 147 E HA -0.127 4.223 4.350 0.000 0.000 0.193 147 E C 1.314 177.919 176.600 0.008 0.000 0.985 147 E CA 0.806 57.210 56.400 0.007 0.000 0.814 147 E CB 0.135 29.838 29.700 0.005 0.000 0.752 147 E HN 0.254 nan 8.360 nan 0.000 0.466 148 K N -0.909 119.500 120.400 0.015 0.000 2.358 148 K HA 0.159 4.479 4.320 0.000 0.000 0.197 148 K C 0.726 177.338 176.600 0.021 0.000 1.025 148 K CA 0.436 56.734 56.287 0.018 0.000 1.104 148 K CB 1.182 33.697 32.500 0.024 0.000 0.855 148 K HN 0.160 nan 8.250 nan 0.000 0.531 149 G N 2.362 111.172 108.800 0.015 0.000 2.147 149 G HA2 -0.277 3.683 3.960 0.000 0.000 0.244 149 G HA3 -0.277 3.683 3.960 0.000 0.000 0.244 149 G C -0.027 174.877 174.900 0.006 0.000 1.005 149 G CA 0.144 45.248 45.100 0.007 0.000 0.713 149 G HN 0.470 nan 8.290 nan 0.000 0.515 150 E N -0.433 119.783 120.200 0.027 0.000 2.685 150 E HA 0.366 4.716 4.350 0.000 0.000 0.208 150 E C 2.054 178.640 176.600 -0.023 0.000 0.996 150 E CA 0.121 56.535 56.400 0.024 0.000 1.054 150 E CB 0.284 30.088 29.700 0.173 0.000 1.075 150 E HN 0.374 nan 8.360 nan 0.000 0.460 151 G N 1.254 110.037 108.800 -0.029 0.000 2.432 151 G HA2 -0.290 3.670 3.960 0.000 0.000 0.219 151 G HA3 -0.290 3.670 3.960 0.000 0.000 0.219 151 G C 1.376 176.218 174.900 -0.097 0.000 1.135 151 G CA 0.479 45.553 45.100 -0.043 0.000 0.767 151 G HN 0.261 nan 8.290 nan 0.000 0.550 152 E N 0.322 120.448 120.200 -0.123 0.000 2.072 152 E HA -0.100 4.250 4.350 0.000 0.000 0.191 152 E C 2.335 178.788 176.600 -0.244 0.000 0.985 152 E CA 0.983 57.291 56.400 -0.154 0.000 0.801 152 E CB -0.015 29.605 29.700 -0.135 0.000 0.750 152 E HN 0.579 nan 8.360 nan 0.000 0.452 153 E N 0.098 120.083 120.200 -0.359 0.000 2.110 153 E HA -0.166 4.185 4.350 0.000 0.000 0.193 153 E C 1.933 178.150 176.600 -0.638 0.000 0.988 153 E CA 0.915 56.951 56.400 -0.606 0.000 0.804 153 E CB -0.096 29.008 29.700 -0.992 0.000 0.745 153 E HN 0.299 nan 8.360 nan 0.000 0.458 154 A N 0.959 123.507 122.820 -0.454 0.000 2.067 154 A HA 0.032 4.352 4.320 0.000 0.000 0.219 154 A C 2.154 179.703 177.584 -0.058 0.000 1.158 154 A CA 1.407 53.383 52.037 -0.100 0.000 0.661 154 A CB -0.183 18.875 19.000 0.096 0.000 0.801 154 A HN 0.256 nan 8.150 nan 0.000 0.452 155 A N -0.930 121.825 122.820 -0.108 0.000 2.348 155 A HA 0.251 4.572 4.320 0.000 0.000 0.224 155 A C 1.727 179.251 177.584 -0.099 0.000 1.227 155 A CA 0.770 52.770 52.037 -0.061 0.000 0.885 155 A CB -0.253 18.712 19.000 -0.059 0.000 0.933 155 A HN 0.481 nan 8.150 nan 0.000 0.506 156 K N -0.760 119.523 120.400 -0.197 0.000 2.103 156 K HA -0.160 4.160 4.320 0.000 0.000 0.207 156 K C 0.051 176.374 176.600 -0.461 0.000 1.048 156 K CA 1.613 57.669 56.287 -0.385 0.000 0.930 156 K CB -0.226 31.936 32.500 -0.563 0.000 0.716 156 K HN 0.508 nan 8.250 nan 0.000 0.444 157 Y N 0.842 121.171 120.300 0.048 0.000 2.774 157 Y HA 0.140 4.690 4.550 -0.000 0.000 0.305 157 Y C 0.379 176.369 175.900 0.151 0.000 1.067 157 Y CA -0.602 57.591 58.100 0.156 0.000 1.304 157 Y CB 0.543 39.196 38.460 0.321 0.000 1.209 157 Y HN 0.086 nan 8.280 nan 0.000 0.543 158 D N -0.003 120.486 120.400 0.149 0.000 2.219 158 D HA -0.099 4.541 4.640 0.000 0.000 0.205 158 D C 0.700 177.052 176.300 0.088 0.000 0.970 158 D CA 0.932 55.001 54.000 0.114 0.000 0.851 158 D CB 0.231 41.064 40.800 0.055 0.000 0.943 158 D HN 0.283 nan 8.370 nan 0.000 0.488 159 E N 1.356 121.604 120.200 0.079 0.000 2.384 159 E HA 0.093 4.443 4.350 0.000 0.000 0.266 159 E C -2.163 174.451 176.600 0.023 0.000 1.012 159 E CA -1.529 54.899 56.400 0.047 0.000 0.901 159 E CB 0.467 30.198 29.700 0.051 0.000 0.967 159 E HN 0.058 nan 8.360 nan 0.000 0.435 160 P HA 0.049 nan 4.420 nan 0.000 0.266 160 P C -0.483 176.728 177.300 -0.149 0.000 1.195 160 P CA 0.493 63.529 63.100 -0.107 0.000 0.768 160 P CB 0.542 32.158 31.700 -0.140 0.000 0.838 161 R N 1.604 121.974 120.500 -0.217 0.000 2.637 161 R HA 0.395 4.735 4.340 0.000 0.000 0.291 161 R C -0.109 176.032 176.300 -0.264 0.000 0.963 161 R CA -0.737 55.247 56.100 -0.194 0.000 0.901 161 R CB 1.340 31.498 30.300 -0.236 0.000 1.160 161 R HN 0.577 nan 8.270 nan 0.000 0.457 162 H N 4.000 123.057 119.070 -0.022 0.000 2.846 162 H HA 0.220 4.776 4.556 0.000 0.000 0.278 162 H C 0.278 175.619 175.328 0.021 0.000 1.117 162 H CA 0.017 56.074 56.048 0.015 0.000 1.406 162 H CB 0.477 30.261 29.762 0.036 0.000 1.445 162 H HN 0.533 nan 8.280 nan 0.000 0.469 163 I N -0.351 120.268 120.570 0.082 0.000 3.516 163 I HA 0.516 4.686 4.170 0.000 0.000 0.297 163 I C -0.476 175.716 176.117 0.125 0.000 1.139 163 I CA -1.140 60.186 61.300 0.043 0.000 1.020 163 I CB 2.083 40.037 38.000 -0.076 0.000 1.341 163 I HN 0.392 nan 8.210 nan 0.000 0.490 164 C N 1.147 120.468 119.300 0.035 0.000 2.382 164 C HA 0.536 4.996 4.460 0.000 0.000 0.327 164 C C -0.251 174.791 174.990 0.086 0.000 1.250 164 C CA -0.126 58.903 59.018 0.018 0.000 1.707 164 C CB 0.685 28.189 27.740 -0.395 0.000 2.272 164 C HN 0.891 nan 8.230 nan 0.000 0.506 165 E N 4.994 125.285 120.200 0.152 0.000 2.151 165 E HA 0.511 4.861 4.350 0.000 0.000 0.275 165 E C -0.799 175.869 176.600 0.115 0.000 0.936 165 E CA -0.510 55.980 56.400 0.149 0.000 0.777 165 E CB 0.835 30.629 29.700 0.156 0.000 1.108 165 E HN 0.644 nan 8.360 nan 0.000 0.401 166 I N 3.674 124.303 120.570 0.099 0.000 2.437 166 I HA 0.435 4.605 4.170 0.000 0.000 0.298 166 I C 0.076 176.206 176.117 0.022 0.000 0.984 166 I CA -0.575 60.745 61.300 0.034 0.000 1.214 166 I CB 1.407 39.388 38.000 -0.033 0.000 1.365 166 I HN 0.592 nan 8.210 nan 0.000 0.469 167 N N 3.337 122.020 118.700 -0.028 0.000 2.927 167 N HA 0.371 5.111 4.740 0.000 0.000 0.248 167 N C -0.568 174.896 175.510 -0.076 0.000 1.443 167 N CA -0.341 52.599 53.050 -0.184 0.000 0.870 167 N CB 1.400 39.600 38.487 -0.478 0.000 1.444 167 N HN 0.410 nan 8.380 nan 0.000 0.519 168 F N -1.630 118.363 119.950 0.072 0.000 2.988 168 F HA -0.226 4.301 4.527 0.000 0.000 0.287 168 F C 0.328 176.172 175.800 0.074 0.000 0.781 168 F CA -0.182 57.777 58.000 -0.070 0.000 1.221 168 F CB -1.773 37.162 39.000 -0.108 0.000 1.392 168 F HN 0.380 nan 8.300 nan 0.000 0.425 169 L N 1.319 122.697 121.223 0.259 0.000 2.513 169 L HA 0.400 4.740 4.340 0.000 0.000 0.272 169 L C 0.112 177.191 176.870 0.349 0.000 1.187 169 L CA -0.130 54.831 54.840 0.203 0.000 0.895 169 L CB 0.874 43.005 42.059 0.119 0.000 1.147 169 L HN 0.403 nan 8.230 nan 0.000 0.483 170 C N 5.676 125.142 119.300 0.277 0.000 2.716 170 C HA 0.635 5.095 4.460 0.000 0.000 0.366 170 C C -0.844 174.264 174.990 0.196 0.000 1.073 170 C CA -0.641 58.559 59.018 0.304 0.000 1.260 170 C CB 0.658 28.602 27.740 0.339 0.000 1.755 170 C HN 0.713 nan 8.230 nan 0.000 0.475 171 V N 6.300 126.303 119.914 0.149 0.000 2.483 171 V HA 0.426 4.546 4.120 0.000 0.000 0.295 171 V C 0.425 176.584 176.094 0.108 0.000 1.035 171 V CA -0.394 61.971 62.300 0.109 0.000 0.896 171 V CB 1.438 33.307 31.823 0.077 0.000 0.986 171 V HN 0.905 nan 8.190 nan 0.000 0.447 172 H N 3.618 122.704 119.070 0.027 0.000 3.001 172 H HA 0.034 4.590 4.556 0.000 0.000 0.334 172 H C 1.108 176.450 175.328 0.024 0.000 1.034 172 H CA 0.850 56.909 56.048 0.019 0.000 1.420 172 H CB 0.809 30.562 29.762 -0.015 0.000 1.405 172 H HN 0.635 nan 8.280 nan 0.000 0.593 173 K N 2.946 123.254 120.400 -0.154 0.000 2.160 173 K HA -0.196 4.124 4.320 0.000 0.000 0.206 173 K C 2.001 178.702 176.600 0.167 0.000 1.047 173 K CA 1.630 57.924 56.287 0.012 0.000 0.930 173 K CB 0.121 32.587 32.500 -0.057 0.000 0.720 173 K HN 0.681 nan 8.250 nan 0.000 0.450 174 Q N -0.010 120.045 119.800 0.426 0.000 2.436 174 Q HA -0.026 4.315 4.340 0.000 0.000 0.209 174 Q C 1.236 177.314 176.000 0.130 0.000 0.965 174 Q CA 0.621 56.556 55.803 0.220 0.000 0.910 174 Q CB 0.218 29.035 28.738 0.131 0.000 0.980 174 Q HN 0.311 nan 8.270 nan 0.000 0.491 175 L N 0.339 121.648 121.223 0.144 0.000 2.728 175 L HA 0.167 4.507 4.340 0.000 0.000 0.238 175 L C 0.137 177.055 176.870 0.079 0.000 1.143 175 L CA -0.379 54.516 54.840 0.093 0.000 0.937 175 L CB 0.345 42.439 42.059 0.059 0.000 1.225 175 L HN 0.025 nan 8.230 nan 0.000 0.507 176 R N 1.448 121.995 120.500 0.078 0.000 2.698 176 R HA -0.017 4.323 4.340 0.000 0.000 0.266 176 R C 0.310 176.642 176.300 0.053 0.000 1.026 176 R CA 0.210 56.346 56.100 0.061 0.000 1.102 176 R CB 0.010 30.342 30.300 0.054 0.000 0.978 176 R HN 0.238 nan 8.270 nan 0.000 0.436 177 E N 0.523 120.752 120.200 0.048 0.000 2.637 177 E HA -0.236 4.114 4.350 0.000 0.000 0.265 177 E C -0.293 176.333 176.600 0.042 0.000 1.073 177 E CA 0.882 57.309 56.400 0.044 0.000 0.778 177 E CB -0.684 29.041 29.700 0.043 0.000 1.362 177 E HN 0.525 nan 8.360 nan 0.000 0.413 178 K N 0.096 120.522 120.400 0.044 0.000 2.438 178 K HA 0.164 4.484 4.320 0.000 0.000 0.205 178 K C 0.206 176.829 176.600 0.037 0.000 1.033 178 K CA -0.493 55.822 56.287 0.046 0.000 1.089 178 K CB 0.659 33.200 32.500 0.067 0.000 0.857 178 K HN 0.045 nan 8.250 nan 0.000 0.522 179 R N -0.348 120.162 120.500 0.017 0.000 3.872 179 R HA -0.177 4.163 4.340 0.000 0.000 0.341 179 R C 0.768 177.046 176.300 -0.037 0.000 1.172 179 R CA 0.384 56.473 56.100 -0.018 0.000 0.901 179 R CB -2.587 27.711 30.300 -0.003 0.000 1.422 179 R HN 0.260 nan 8.270 nan 0.000 0.523 180 L N 0.035 121.250 121.223 -0.013 0.000 2.240 180 L HA 0.177 4.517 4.340 0.000 0.000 0.211 180 L C 2.294 179.120 176.870 -0.073 0.000 1.106 180 L CA 2.129 56.959 54.840 -0.017 0.000 0.793 180 L CB -0.247 41.816 42.059 0.006 0.000 0.927 180 L HN 0.316 nan 8.230 nan 0.000 0.446 181 A N 0.398 123.160 122.820 -0.098 0.000 1.877 181 A HA -0.079 4.241 4.320 0.000 0.000 0.216 181 A C 0.009 177.379 177.584 -0.356 0.000 1.186 181 A CA 1.744 53.692 52.037 -0.148 0.000 0.620 181 A CB -1.955 16.992 19.000 -0.087 0.000 0.822 181 A HN 0.398 nan 8.150 nan 0.000 0.443 182 P HA -0.152 nan 4.420 nan 0.000 0.216 182 P C 1.296 178.197 177.300 -0.664 0.000 1.150 182 P CA 1.031 63.452 63.100 -1.132 0.000 0.843 182 P CB -0.136 30.885 31.700 -1.131 0.000 0.787 183 I N -1.744 118.638 120.570 -0.315 0.000 2.252 183 I HA -0.221 3.949 4.170 0.000 0.000 0.245 183 I C 2.222 178.341 176.117 0.004 0.000 1.102 183 I CA 1.251 62.479 61.300 -0.121 0.000 1.385 183 I CB -0.625 37.435 38.000 0.100 0.000 1.064 183 I HN -0.101 nan 8.210 nan 0.000 0.414 184 L N 0.299 121.529 121.223 0.012 0.000 2.046 184 L HA -0.215 4.126 4.340 0.000 0.000 0.208 184 L C 2.452 179.249 176.870 -0.122 0.000 1.077 184 L CA 1.552 56.430 54.840 0.063 0.000 0.747 184 L CB -0.357 41.716 42.059 0.024 0.000 0.896 184 L HN 0.186 nan 8.230 nan 0.000 0.432 185 I N -0.660 119.767 120.570 -0.239 0.000 2.252 185 I HA -0.280 3.890 4.170 0.000 0.000 0.245 185 I C 2.458 178.411 176.117 -0.273 0.000 1.102 185 I CA 1.291 62.431 61.300 -0.267 0.000 1.385 185 I CB -0.253 37.575 38.000 -0.287 0.000 1.064 185 I HN 0.153 nan 8.210 nan 0.000 0.414 186 K N 0.354 120.570 120.400 -0.305 0.000 2.097 186 K HA -0.250 4.070 4.320 0.000 0.000 0.206 186 K C 2.063 178.474 176.600 -0.315 0.000 1.049 186 K CA 1.641 57.734 56.287 -0.323 0.000 0.933 186 K CB -0.108 32.044 32.500 -0.581 0.000 0.717 186 K HN 0.165 nan 8.250 nan 0.000 0.442 187 E N 1.013 121.026 120.200 -0.312 0.000 2.107 187 E HA -0.091 4.259 4.350 0.000 0.000 0.191 187 E C 1.750 178.123 176.600 -0.378 0.000 0.982 187 E CA 1.239 57.410 56.400 -0.381 0.000 0.809 187 E CB -0.111 29.148 29.700 -0.734 0.000 0.756 187 E HN 0.247 nan 8.360 nan 0.000 0.459 188 A N -0.065 122.552 122.820 -0.338 0.000 1.892 188 A HA -0.230 4.090 4.320 0.000 0.000 0.218 188 A C 2.465 179.798 177.584 -0.418 0.000 1.188 188 A CA 2.335 54.158 52.037 -0.357 0.000 0.631 188 A CB -1.294 17.509 19.000 -0.328 0.000 0.822 188 A HN 0.396 nan 8.150 nan 0.000 0.447 189 T N -0.855 113.466 114.554 -0.387 0.000 2.720 189 T HA -0.169 4.181 4.350 0.000 0.000 0.268 189 T C 2.068 176.578 174.700 -0.316 0.000 1.037 189 T CA 1.491 63.355 62.100 -0.392 0.000 1.144 189 T CB -0.256 68.416 68.868 -0.326 0.000 0.864 189 T HN 0.550 nan 8.240 nan 0.000 0.444 190 R N 0.915 121.268 120.500 -0.244 0.000 2.083 190 R HA -0.065 4.275 4.340 0.000 0.000 0.237 190 R C 2.610 178.777 176.300 -0.221 0.000 1.137 190 R CA 1.371 57.364 56.100 -0.178 0.000 0.951 190 R CB -0.100 30.128 30.300 -0.120 0.000 0.851 190 R HN 0.335 nan 8.270 nan 0.000 0.434 191 R N -0.184 120.160 120.500 -0.259 0.000 2.081 191 R HA -0.097 4.243 4.340 0.000 0.000 0.235 191 R C 2.331 178.492 176.300 -0.231 0.000 1.131 191 R CA 1.583 57.564 56.100 -0.198 0.000 0.960 191 R CB -0.375 29.823 30.300 -0.168 0.000 0.856 191 R HN 0.127 nan 8.270 nan 0.000 0.436 192 V N 1.720 121.309 119.914 -0.541 0.000 2.295 192 V HA -0.275 3.845 4.120 0.000 0.000 0.246 192 V C 1.688 177.485 176.094 -0.495 0.000 1.049 192 V CA 2.023 63.887 62.300 -0.726 0.000 1.024 192 V CB -0.657 30.523 31.823 -1.072 0.000 0.648 192 V HN 0.430 nan 8.190 nan 0.000 0.447 193 N N -0.343 118.026 118.700 -0.551 0.000 2.289 193 N HA -0.140 4.600 4.740 0.000 0.000 0.184 193 N C 1.846 177.045 175.510 -0.518 0.000 1.016 193 N CA 0.552 53.106 53.050 -0.826 0.000 0.872 193 N CB -0.087 38.054 38.487 -0.576 0.000 0.973 193 N HN 0.287 nan 8.380 nan 0.000 0.433 194 R N 0.470 120.824 120.500 -0.243 0.000 2.280 194 R HA -0.022 4.318 4.340 0.000 0.000 0.207 194 R C 1.609 177.877 176.300 -0.053 0.000 1.043 194 R CA 0.874 56.917 56.100 -0.095 0.000 1.006 194 R CB -0.619 29.649 30.300 -0.054 0.000 0.885 194 R HN 0.357 nan 8.270 nan 0.000 0.467 195 T N -2.496 112.023 114.554 -0.057 0.000 3.145 195 T HA 0.054 4.404 4.350 0.000 0.000 0.255 195 T C 0.385 175.065 174.700 -0.034 0.000 1.039 195 T CA -0.208 61.904 62.100 0.021 0.000 0.928 195 T CB -0.196 68.805 68.868 0.221 0.000 1.029 195 T HN 0.115 nan 8.240 nan 0.000 0.554 196 N N -0.155 118.448 118.700 -0.162 0.000 2.754 196 N HA -0.144 4.596 4.740 0.000 0.000 0.248 196 N C -0.968 174.389 175.510 -0.256 0.000 1.093 196 N CA 0.605 53.596 53.050 -0.099 0.000 0.699 196 N CB -1.825 36.758 38.487 0.161 0.000 1.016 196 N HN 0.465 nan 8.380 nan 0.000 0.552 197 V N 0.202 119.754 119.914 -0.604 0.000 2.495 197 V HA 0.488 4.608 4.120 0.000 0.000 0.298 197 V C 0.470 176.085 176.094 -0.799 0.000 1.031 197 V CA -0.373 61.658 62.300 -0.448 0.000 0.871 197 V CB 1.553 33.285 31.823 -0.152 0.000 0.988 197 V HN 0.385 nan 8.190 nan 0.000 0.432 198 W N 1.652 122.968 121.300 0.027 0.000 2.555 198 W HA 0.409 5.069 4.660 0.001 0.000 0.324 198 W C 0.525 177.108 176.519 0.106 0.000 0.973 198 W CA -0.245 57.138 57.345 0.064 0.000 1.481 198 W CB 0.765 30.273 29.460 0.079 0.000 1.064 198 W HN 0.407 nan 8.180 nan 0.000 0.543 199 Q N 0.666 120.566 119.800 0.166 0.000 2.351 199 Q HA 0.811 5.151 4.340 0.000 0.000 0.273 199 Q C -0.470 175.582 176.000 0.086 0.000 1.077 199 Q CA -0.533 55.352 55.803 0.136 0.000 0.843 199 Q CB 2.300 30.941 28.738 -0.162 0.000 1.367 199 Q HN -0.021 nan 8.270 nan 0.000 0.449 200 A N 0.286 123.242 122.820 0.227 0.000 2.566 200 A HA 0.862 5.182 4.320 0.000 0.000 0.292 200 A C -1.607 176.248 177.584 0.451 0.000 1.112 200 A CA -0.669 51.505 52.037 0.230 0.000 0.707 200 A CB 1.756 20.852 19.000 0.159 0.000 1.302 200 A HN 0.485 nan 8.150 nan 0.000 0.409 201 V N 1.210 121.372 119.914 0.413 0.000 2.823 201 V HA 0.923 5.043 4.120 0.000 0.000 0.312 201 V C -1.639 174.682 176.094 0.378 0.000 1.072 201 V CA -0.559 61.995 62.300 0.423 0.000 0.937 201 V CB 1.774 33.834 31.823 0.395 0.000 1.013 201 V HN 1.389 nan 8.190 nan 0.000 0.430 202 Y N 1.786 122.173 120.300 0.146 0.000 2.624 202 Y HA 0.839 5.389 4.550 -0.000 0.000 0.334 202 Y C -0.541 175.364 175.900 0.009 0.000 1.155 202 Y CA -0.530 57.609 58.100 0.066 0.000 1.046 202 Y CB 1.536 40.041 38.460 0.075 0.000 1.316 202 Y HN 0.717 nan 8.280 nan 0.000 0.457 203 T N -0.307 114.257 114.554 0.017 0.000 2.916 203 T HA 0.982 5.332 4.350 0.000 0.000 0.292 203 T C -0.713 174.053 174.700 0.110 0.000 1.055 203 T CA -0.386 61.634 62.100 -0.134 0.000 1.009 203 T CB 1.852 70.451 68.868 -0.449 0.000 1.118 203 T HN 1.642 nan 8.240 nan 0.000 0.497 204 A N 0.154 123.068 122.820 0.158 0.000 2.606 204 A HA 0.824 5.144 4.320 0.000 0.000 0.293 204 A C 0.859 178.553 177.584 0.184 0.000 1.082 204 A CA -0.442 51.708 52.037 0.187 0.000 0.685 204 A CB 0.977 20.095 19.000 0.196 0.000 1.284 204 A HN 1.246 nan 8.150 nan 0.000 0.408 205 G N -0.265 108.653 108.800 0.196 0.000 2.623 205 G HA2 0.354 4.314 3.960 0.000 0.000 0.214 205 G HA3 0.354 4.314 3.960 0.000 0.000 0.214 205 G C 0.738 175.750 174.900 0.186 0.000 1.138 205 G CA 1.165 46.409 45.100 0.241 0.000 0.794 205 G HN 1.751 nan 8.290 nan 0.000 0.535 206 V N -1.326 118.681 119.914 0.156 0.000 2.953 206 V HA 0.657 4.777 4.120 0.000 0.000 0.304 206 V C -0.035 176.153 176.094 0.157 0.000 1.073 206 V CA -1.449 60.931 62.300 0.134 0.000 1.064 206 V CB 1.790 33.676 31.823 0.106 0.000 1.047 206 V HN 0.011 nan 8.190 nan 0.000 0.478 207 L N 4.205 125.506 121.223 0.130 0.000 2.255 207 L HA 0.624 4.964 4.340 0.000 0.000 0.289 207 L C -0.459 176.465 176.870 0.090 0.000 1.046 207 L CA 0.351 55.272 54.840 0.135 0.000 0.816 207 L CB -0.037 42.075 42.059 0.087 0.000 1.197 207 L HN 0.750 nan 8.230 nan 0.000 0.427 208 L N 5.486 126.731 121.223 0.037 0.000 2.271 208 L HA 0.688 5.028 4.340 0.000 0.000 0.265 208 L C -2.196 174.555 176.870 -0.199 0.000 1.013 208 L CA -2.154 52.528 54.840 -0.263 0.000 0.820 208 L CB 1.640 43.263 42.059 -0.727 0.000 1.352 208 L HN 0.420 nan 8.230 nan 0.000 0.443 209 P HA 0.246 nan 4.420 nan 0.000 0.281 209 P C -1.276 175.931 177.300 -0.155 0.000 1.286 209 P CA -0.099 62.875 63.100 -0.209 0.000 0.772 209 P CB 0.867 32.437 31.700 -0.216 0.000 0.862 210 T N 5.007 119.614 114.554 0.087 0.000 3.032 210 T HA 0.434 4.784 4.350 0.000 0.000 0.312 210 T C -2.822 171.938 174.700 0.100 0.000 1.078 210 T CA -1.548 60.618 62.100 0.111 0.000 1.028 210 T CB 1.516 70.420 68.868 0.059 0.000 1.091 210 T HN 0.077 nan 8.240 nan 0.000 0.457 211 P HA 0.184 nan 4.420 nan 0.000 0.271 211 P C 0.076 177.234 177.300 -0.236 0.000 1.218 211 P CA -0.434 62.309 63.100 -0.595 0.000 0.780 211 P CB 0.315 31.606 31.700 -0.682 0.000 0.901 212 Y N 1.079 121.227 120.300 -0.254 0.000 2.517 212 Y HA 0.608 5.158 4.550 0.000 0.000 0.281 212 Y C 0.358 176.208 175.900 -0.083 0.000 1.125 212 Y CA -0.257 57.801 58.100 -0.070 0.000 1.283 212 Y CB -0.092 38.404 38.460 0.060 0.000 1.042 212 Y HN 0.373 nan 8.280 nan 0.000 0.547 213 A N -0.137 122.386 122.820 -0.496 0.000 2.604 213 A HA 0.691 5.011 4.320 0.000 0.000 0.295 213 A C -1.226 176.169 177.584 -0.315 0.000 1.067 213 A CA -0.318 51.529 52.037 -0.317 0.000 0.683 213 A CB 1.355 20.133 19.000 -0.369 0.000 1.281 213 A HN 0.132 nan 8.150 nan 0.000 0.407 214 S N -0.394 115.196 115.700 -0.183 0.000 2.572 214 S HA 0.747 5.217 4.470 0.000 0.000 0.274 214 S C -0.377 174.198 174.600 -0.042 0.000 1.150 214 S CA 0.243 58.364 58.200 -0.131 0.000 0.944 214 S CB 1.365 64.462 63.200 -0.171 0.000 1.071 214 S HN 2.086 nan 8.310 nan 0.000 0.479 215 G N 2.513 111.314 108.800 0.001 0.000 2.563 215 G HA2 0.532 4.492 3.960 0.000 0.000 0.302 215 G HA3 0.532 4.492 3.960 0.000 0.000 0.302 215 G C -1.275 173.631 174.900 0.011 0.000 1.301 215 G CA -0.625 44.501 45.100 0.044 0.000 0.965 215 G HN 0.693 nan 8.290 nan 0.000 0.480 216 Q N -0.168 119.662 119.800 0.050 0.000 2.421 216 Q HA 0.189 4.529 4.340 0.000 0.000 0.255 216 Q C -0.798 175.102 176.000 -0.167 0.000 1.013 216 Q CA 0.142 55.834 55.803 -0.186 0.000 0.895 216 Q CB 1.046 29.617 28.738 -0.279 0.000 1.271 216 Q HN 0.583 nan 8.270 nan 0.000 0.460 217 Y N 0.633 120.844 120.300 -0.150 0.000 2.336 217 Y HA 0.233 4.783 4.550 0.000 0.000 0.331 217 Y C -0.265 175.463 175.900 -0.286 0.000 1.211 217 Y CA 0.235 58.316 58.100 -0.032 0.000 1.346 217 Y CB 0.504 38.960 38.460 -0.006 0.000 1.271 217 Y HN 0.385 nan 8.280 nan 0.000 0.538 218 F N 0.618 120.695 119.950 0.211 0.000 2.576 218 F HA 0.451 4.978 4.527 0.000 0.000 0.313 218 F C -0.499 175.471 175.800 0.285 0.000 1.078 218 F CA -0.995 57.087 58.000 0.136 0.000 0.921 218 F CB 1.775 40.808 39.000 0.055 0.000 1.232 218 F HN 0.567 nan 8.300 nan 0.000 0.459 219 H N -0.129 119.199 119.070 0.430 0.000 2.768 219 H HA 0.710 5.266 4.556 0.000 0.000 0.371 219 H C -1.320 174.048 175.328 0.066 0.000 1.151 219 H CA -1.227 54.974 56.048 0.255 0.000 1.165 219 H CB 1.705 31.586 29.762 0.198 0.000 1.722 219 H HN 0.419 nan 8.280 nan 0.000 0.543 220 R N 2.396 122.797 120.500 -0.165 0.000 2.473 220 R HA 0.274 4.614 4.340 0.000 0.000 0.303 220 R C -0.821 175.289 176.300 -0.317 0.000 1.002 220 R CA -0.559 55.233 56.100 -0.514 0.000 0.884 220 R CB 1.653 31.135 30.300 -1.364 0.000 1.173 220 R HN 0.834 nan 8.270 nan 0.000 0.464 221 S N 3.765 119.301 115.700 -0.273 0.000 2.544 221 S HA 0.101 4.571 4.470 0.000 0.000 0.290 221 S C 1.367 175.805 174.600 -0.270 0.000 1.276 221 S CA 0.027 58.025 58.200 -0.337 0.000 1.075 221 S CB 0.317 63.157 63.200 -0.601 0.000 0.849 221 S HN 0.622 nan 8.310 nan 0.000 0.494 222 L N 3.635 124.728 121.223 -0.218 0.000 2.577 222 L HA 0.369 4.709 4.340 0.000 0.000 0.225 222 L C 0.784 177.644 176.870 -0.017 0.000 1.053 222 L CA -0.049 54.727 54.840 -0.105 0.000 0.866 222 L CB -0.026 42.008 42.059 -0.040 0.000 1.132 222 L HN 0.482 nan 8.230 nan 0.000 0.486 223 N N 0.693 119.338 118.700 -0.092 0.000 2.841 223 N HA 0.192 4.932 4.740 0.000 0.000 0.257 223 N C -2.067 173.357 175.510 -0.143 0.000 1.396 223 N CA -1.966 51.035 53.050 -0.081 0.000 0.823 223 N CB 1.206 39.631 38.487 -0.103 0.000 1.162 223 N HN -0.115 nan 8.380 nan 0.000 0.503 224 P HA -0.098 nan 4.420 nan 0.000 0.221 224 P C 0.969 178.198 177.300 -0.120 0.000 1.150 224 P CA 0.836 63.836 63.100 -0.167 0.000 0.800 224 P CB 0.756 32.359 31.700 -0.161 0.000 0.787 225 E N 0.806 120.958 120.200 -0.079 0.000 2.072 225 E HA -0.195 4.156 4.350 0.000 0.000 0.191 225 E C 2.253 178.814 176.600 -0.065 0.000 0.985 225 E CA 1.104 57.474 56.400 -0.049 0.000 0.801 225 E CB -0.176 29.517 29.700 -0.012 0.000 0.750 225 E HN 0.059 nan 8.360 nan 0.000 0.452 226 K N 0.378 120.701 120.400 -0.127 0.000 2.025 226 K HA -0.124 4.196 4.320 0.000 0.000 0.207 226 K C 2.224 178.669 176.600 -0.257 0.000 1.049 226 K CA 1.117 57.238 56.287 -0.277 0.000 0.933 226 K CB -0.111 32.126 32.500 -0.439 0.000 0.714 226 K HN 0.167 nan 8.250 nan 0.000 0.438 227 L N 0.824 121.914 121.223 -0.223 0.000 2.042 227 L HA -0.201 4.139 4.340 0.000 0.000 0.210 227 L C 2.408 179.259 176.870 -0.032 0.000 1.076 227 L CA 1.005 55.752 54.840 -0.155 0.000 0.749 227 L CB -0.463 41.488 42.059 -0.180 0.000 0.893 227 L HN 0.066 nan 8.230 nan 0.000 0.432 228 V N -0.312 119.571 119.914 -0.051 0.000 2.379 228 V HA -0.261 3.859 4.120 0.000 0.000 0.245 228 V C 2.445 178.546 176.094 0.012 0.000 1.044 228 V CA 1.765 64.054 62.300 -0.019 0.000 1.036 228 V CB -0.396 31.402 31.823 -0.042 0.000 0.664 228 V HN 0.465 nan 8.190 nan 0.000 0.453 229 E N 0.671 120.877 120.200 0.011 0.000 2.033 229 E HA -0.255 4.095 4.350 0.000 0.000 0.199 229 E C 1.991 178.641 176.600 0.083 0.000 1.011 229 E CA 2.301 58.739 56.400 0.063 0.000 0.815 229 E CB -0.226 29.552 29.700 0.130 0.000 0.755 229 E HN 0.765 nan 8.360 nan 0.000 0.451 230 I N -2.256 118.360 120.570 0.075 0.000 3.444 230 I HA 0.093 4.263 4.170 0.000 0.000 0.287 230 I C 0.094 176.349 176.117 0.232 0.000 1.302 230 I CA 0.287 61.686 61.300 0.165 0.000 1.368 230 I CB -0.162 37.957 38.000 0.198 0.000 1.048 230 I HN 0.116 nan 8.210 nan 0.000 0.487 231 R N -0.742 119.853 120.500 0.159 0.000 3.770 231 R HA -0.259 4.081 4.340 0.000 0.000 0.305 231 R C 0.841 177.287 176.300 0.245 0.000 1.184 231 R CA 1.074 57.254 56.100 0.134 0.000 0.823 231 R CB -2.887 27.443 30.300 0.050 0.000 1.285 231 R HN 0.602 nan 8.270 nan 0.000 0.499 232 F N 0.601 120.643 119.950 0.153 0.000 2.146 232 F HA 0.004 4.531 4.527 0.000 0.000 0.298 232 F C 0.881 176.607 175.800 -0.123 0.000 1.096 232 F CA 1.179 59.178 58.000 -0.002 0.000 1.275 232 F CB 0.409 39.218 39.000 -0.318 0.000 1.008 232 F HN -0.037 nan 8.300 nan 0.000 0.480 233 S N -0.876 114.858 115.700 0.057 0.000 2.648 233 S HA 0.705 5.175 4.470 0.000 0.000 0.305 233 S C -0.083 174.487 174.600 -0.051 0.000 1.094 233 S CA -0.363 57.798 58.200 -0.065 0.000 0.983 233 S CB 1.459 64.645 63.200 -0.023 0.000 1.101 233 S HN 0.396 nan 8.310 nan 0.000 0.514 234 G N 0.055 108.818 108.800 -0.062 0.000 2.685 234 G HA2 0.694 4.654 3.960 0.000 0.000 0.298 234 G HA3 0.694 4.654 3.960 0.000 0.000 0.298 234 G C -1.079 173.793 174.900 -0.046 0.000 1.277 234 G CA -0.856 44.221 45.100 -0.038 0.000 0.986 234 G HN 0.652 nan 8.290 nan 0.000 0.487 235 I N 1.881 122.429 120.570 -0.036 0.000 2.337 235 I HA 0.200 4.370 4.170 0.000 0.000 0.291 235 I C -1.850 174.288 176.117 0.034 0.000 1.046 235 I CA -1.399 59.865 61.300 -0.059 0.000 1.324 235 I CB 1.447 39.418 38.000 -0.049 0.000 1.409 235 I HN 0.153 nan 8.210 nan 0.000 0.494 236 P HA 0.087 nan 4.420 nan 0.000 0.268 236 P C 0.633 178.081 177.300 0.247 0.000 1.205 236 P CA -0.201 63.026 63.100 0.211 0.000 0.771 236 P CB 0.968 32.859 31.700 0.318 0.000 0.858 237 A N 3.017 125.920 122.820 0.139 0.000 1.940 237 A HA -0.314 4.006 4.320 0.000 0.000 0.221 237 A C 1.887 179.514 177.584 0.071 0.000 1.190 237 A CA 1.948 54.040 52.037 0.091 0.000 0.647 237 A CB -1.124 17.903 19.000 0.045 0.000 0.821 237 A HN 0.618 nan 8.150 nan 0.000 0.457 238 Q N -1.715 118.112 119.800 0.045 0.000 2.364 238 Q HA -0.072 4.268 4.340 0.000 0.000 0.207 238 Q C 1.464 177.367 176.000 -0.161 0.000 0.970 238 Q CA 1.164 56.912 55.803 -0.092 0.000 0.888 238 Q CB -0.503 28.138 28.738 -0.161 0.000 0.951 238 Q HN 0.844 nan 8.270 nan 0.000 0.469 239 Y N 0.562 120.878 120.300 0.027 0.000 2.483 239 Y HA -0.153 4.397 4.550 0.000 0.000 0.291 239 Y C 1.877 177.823 175.900 0.077 0.000 1.143 239 Y CA 0.721 58.934 58.100 0.187 0.000 1.289 239 Y CB 0.223 38.844 38.460 0.268 0.000 0.983 239 Y HN 0.128 nan 8.280 nan 0.000 0.556 240 Q N 0.750 120.616 119.800 0.111 0.000 2.500 240 Q HA -0.133 4.207 4.340 0.000 0.000 0.213 240 Q C 1.728 177.698 176.000 -0.049 0.000 0.974 240 Q CA 0.931 56.764 55.803 0.050 0.000 0.918 240 Q CB -0.259 28.500 28.738 0.036 0.000 0.980 240 Q HN 0.661 nan 8.270 nan 0.000 0.505 241 K N -1.117 119.144 120.400 -0.232 0.000 2.487 241 K HA 0.049 4.369 4.320 0.000 0.000 0.192 241 K C -0.180 176.233 176.600 -0.312 0.000 1.027 241 K CA 0.088 56.184 56.287 -0.319 0.000 1.054 241 K CB 0.171 32.384 32.500 -0.479 0.000 0.824 241 K HN -0.133 nan 8.250 nan 0.000 0.510 242 F N 1.610 121.580 119.950 0.032 0.000 2.432 242 F HA 0.242 4.769 4.527 0.000 0.000 0.329 242 F C 1.645 177.469 175.800 0.040 0.000 1.076 242 F CA -1.283 56.738 58.000 0.036 0.000 1.018 242 F CB 1.441 40.480 39.000 0.064 0.000 1.201 242 F HN -0.148 nan 8.300 nan 0.000 0.489 243 Q N 1.065 121.005 119.800 0.234 0.000 2.124 243 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 243 Q C -0.096 175.978 176.000 0.123 0.000 0.977 243 Q CA 1.397 57.280 55.803 0.133 0.000 0.850 243 Q CB 0.027 28.822 28.738 0.095 0.000 0.901 243 Q HN 0.572 nan 8.270 nan 0.000 0.429 244 N N -0.080 118.705 118.700 0.140 0.000 2.746 244 N HA 0.210 4.950 4.740 0.000 0.000 0.250 244 N C -2.344 173.246 175.510 0.134 0.000 1.146 244 N CA -1.744 51.367 53.050 0.102 0.000 0.828 244 N CB 1.559 40.075 38.487 0.049 0.000 1.158 244 N HN -0.135 nan 8.380 nan 0.000 0.519 245 P HA -0.128 nan 4.420 nan 0.000 0.215 245 P C 1.517 178.884 177.300 0.113 0.000 1.157 245 P CA 1.112 64.364 63.100 0.252 0.000 0.868 245 P CB 0.312 32.132 31.700 0.200 0.000 0.788 246 M N -0.428 119.199 119.600 0.045 0.000 2.175 246 M HA -0.005 4.475 4.480 0.000 0.000 0.264 246 M C 1.878 178.174 176.300 -0.007 0.000 1.063 246 M CA 1.683 56.977 55.300 -0.010 0.000 1.119 246 M CB -1.239 31.357 32.600 -0.007 0.000 1.377 246 M HN -0.169 nan 8.290 nan 0.000 0.415 247 A N 0.225 123.048 122.820 0.005 0.000 1.908 247 A HA -0.166 4.154 4.320 0.000 0.000 0.218 247 A C 2.111 179.674 177.584 -0.035 0.000 1.181 247 A CA 2.026 54.054 52.037 -0.015 0.000 0.627 247 A CB -0.655 18.334 19.000 -0.018 0.000 0.818 247 A HN 0.572 nan 8.150 nan 0.000 0.445 248 M N -1.358 118.215 119.600 -0.045 0.000 2.200 248 M HA -0.016 4.464 4.480 0.000 0.000 0.265 248 M C 2.151 178.511 176.300 0.100 0.000 1.066 248 M CA 1.017 56.262 55.300 -0.091 0.000 1.127 248 M CB -1.235 31.136 32.600 -0.381 0.000 1.379 248 M HN 0.457 nan 8.290 nan 0.000 0.420 249 L N 0.839 122.103 121.223 0.067 0.000 2.027 249 L HA -0.158 4.183 4.340 0.000 0.000 0.206 249 L C 2.264 179.207 176.870 0.122 0.000 1.074 249 L CA 1.919 56.755 54.840 -0.007 0.000 0.745 249 L CB -0.534 41.353 42.059 -0.287 0.000 0.898 249 L HN 0.173 nan 8.230 nan 0.000 0.433 250 K N -0.855 119.569 120.400 0.040 0.000 2.032 250 K HA -0.237 4.083 4.320 0.000 0.000 0.209 250 K C 2.313 178.927 176.600 0.023 0.000 1.048 250 K CA 1.839 58.148 56.287 0.037 0.000 0.927 250 K CB -0.312 32.191 32.500 0.004 0.000 0.712 250 K HN 0.232 nan 8.250 nan 0.000 0.441 251 R N 1.394 121.887 120.500 -0.011 0.000 2.083 251 R HA -0.169 4.171 4.340 0.000 0.000 0.237 251 R C 2.208 178.459 176.300 -0.082 0.000 1.137 251 R CA 1.770 57.840 56.100 -0.050 0.000 0.951 251 R CB -0.325 29.929 30.300 -0.078 0.000 0.851 251 R HN 0.283 nan 8.270 nan 0.000 0.434 252 N N -0.429 118.212 118.700 -0.098 0.000 2.184 252 N HA -0.231 4.510 4.740 0.000 0.000 0.190 252 N C 0.198 175.411 175.510 -0.496 0.000 1.011 252 N CA 1.318 54.186 53.050 -0.303 0.000 0.867 252 N CB 0.053 38.323 38.487 -0.360 0.000 0.993 252 N HN 0.339 nan 8.380 nan 0.000 0.433 253 Y N 0.896 121.161 120.300 -0.058 0.000 2.681 253 Y HA 0.211 4.761 4.550 0.000 0.000 0.267 253 Y C 0.220 176.022 175.900 -0.164 0.000 1.166 253 Y CA -0.658 57.380 58.100 -0.104 0.000 1.209 253 Y CB 0.082 38.482 38.460 -0.100 0.000 1.161 253 Y HN 0.146 nan 8.280 nan 0.000 0.534 254 Q N 0.477 120.234 119.800 -0.072 0.000 2.373 254 Q HA 0.539 4.879 4.340 0.000 0.000 0.255 254 Q C -1.053 174.842 176.000 -0.176 0.000 0.980 254 Q CA -0.128 55.593 55.803 -0.137 0.000 0.882 254 Q CB 1.523 30.202 28.738 -0.098 0.000 1.249 254 Q HN 0.359 nan 8.270 nan 0.000 0.438 255 L N 1.617 122.689 121.223 -0.251 0.000 2.350 255 L HA 0.558 4.898 4.340 0.000 0.000 0.260 255 L C -2.224 174.567 176.870 -0.132 0.000 1.015 255 L CA -2.608 52.106 54.840 -0.210 0.000 0.821 255 L CB 2.182 44.057 42.059 -0.306 0.000 1.370 255 L HN 0.666 nan 8.230 nan 0.000 0.416 256 P HA 0.110 nan 4.420 nan 0.000 0.267 256 P C 0.009 177.311 177.300 0.002 0.000 1.200 256 P CA -0.034 63.045 63.100 -0.036 0.000 0.772 256 P CB 0.659 32.340 31.700 -0.033 0.000 0.855 257 S N -0.052 115.662 115.700 0.024 0.000 2.522 257 S HA 0.253 4.723 4.470 0.000 0.000 0.227 257 S C 0.686 175.310 174.600 0.041 0.000 0.986 257 S CA 0.609 58.841 58.200 0.053 0.000 0.929 257 S CB -0.073 63.153 63.200 0.043 0.000 0.769 257 S HN 0.709 nan 8.310 nan 0.000 0.529 258 A N 1.397 124.232 122.820 0.024 0.000 2.539 258 A HA 0.715 5.035 4.320 0.000 0.000 0.296 258 A C -3.082 174.509 177.584 0.011 0.000 1.073 258 A CA -1.843 50.208 52.037 0.023 0.000 0.700 258 A CB 0.609 19.625 19.000 0.026 0.000 1.296 258 A HN -0.024 nan 8.150 nan 0.000 0.405 259 P HA 0.155 nan 4.420 nan 0.000 0.268 259 P C 0.180 177.487 177.300 0.011 0.000 1.208 259 P CA -0.007 63.097 63.100 0.008 0.000 0.777 259 P CB 0.614 32.330 31.700 0.027 0.000 0.875 260 K N 0.602 121.004 120.400 0.004 0.000 2.334 260 K HA 0.110 4.430 4.320 0.000 0.000 0.195 260 K C 0.054 176.662 176.600 0.013 0.000 1.045 260 K CA 0.461 56.750 56.287 0.004 0.000 1.004 260 K CB -0.225 32.269 32.500 -0.009 0.000 0.837 260 K HN 0.477 nan 8.250 nan 0.000 0.510 261 N N 1.682 120.397 118.700 0.025 0.000 2.458 261 N HA 0.018 4.758 4.740 0.000 0.000 0.270 261 N C -0.480 175.054 175.510 0.041 0.000 1.102 261 N CA -0.142 52.927 53.050 0.032 0.000 0.967 261 N CB 1.007 39.522 38.487 0.048 0.000 1.078 261 N HN 0.011 nan 8.380 nan 0.000 0.471 262 S N 1.532 117.251 115.700 0.033 0.000 2.560 262 S HA 0.329 4.799 4.470 0.000 0.000 0.284 262 S C 1.407 176.034 174.600 0.045 0.000 1.327 262 S CA -0.015 58.206 58.200 0.035 0.000 1.055 262 S CB 0.849 64.066 63.200 0.028 0.000 0.868 262 S HN 0.912 nan 8.310 nan 0.000 0.506 263 G N 0.871 109.701 108.800 0.049 0.000 2.179 263 G HA2 -0.249 3.711 3.960 0.000 0.000 0.260 263 G HA3 -0.249 3.711 3.960 0.000 0.000 0.260 263 G C -0.109 174.835 174.900 0.072 0.000 0.977 263 G CA 0.134 45.267 45.100 0.054 0.000 0.641 263 G HN 1.037 nan 8.290 nan 0.000 0.533 264 L N 1.467 122.743 121.223 0.088 0.000 2.455 264 L HA 0.687 5.027 4.340 0.000 0.000 0.272 264 L C 0.834 177.798 176.870 0.156 0.000 1.174 264 L CA 0.574 55.489 54.840 0.126 0.000 0.869 264 L CB 0.359 42.498 42.059 0.133 0.000 1.130 264 L HN 0.620 nan 8.230 nan 0.000 0.474 265 R N 2.392 123.001 120.500 0.182 0.000 2.752 265 R HA 0.524 4.864 4.340 0.000 0.000 0.271 265 R C -1.161 175.185 176.300 0.076 0.000 1.026 265 R CA -1.003 55.196 56.100 0.163 0.000 0.901 265 R CB 0.802 31.145 30.300 0.071 0.000 1.243 265 R HN 0.463 nan 8.270 nan 0.000 0.463 266 E N 1.231 121.372 120.200 -0.097 0.000 2.398 266 E HA 0.038 4.388 4.350 0.000 0.000 0.263 266 E C -0.320 176.141 176.600 -0.232 0.000 1.046 266 E CA -0.252 55.908 56.400 -0.400 0.000 0.908 266 E CB 0.838 30.308 29.700 -0.383 0.000 0.963 266 E HN 0.374 nan 8.360 nan 0.000 0.431 267 M N 3.464 122.905 119.600 -0.265 0.000 2.245 267 M HA 0.033 4.513 4.480 0.000 0.000 0.344 267 M C -0.331 175.881 176.300 -0.147 0.000 1.170 267 M CA 0.569 55.770 55.300 -0.165 0.000 1.135 267 M CB 0.265 32.770 32.600 -0.158 0.000 1.574 267 M HN 0.409 nan 8.290 nan 0.000 0.452 268 K N 3.821 124.156 120.400 -0.108 0.000 2.400 268 K HA 0.601 4.921 4.320 0.000 0.000 0.246 268 K C -2.839 173.712 176.600 -0.082 0.000 0.995 268 K CA -1.751 54.481 56.287 -0.091 0.000 0.840 268 K CB 1.101 33.559 32.500 -0.069 0.000 1.293 268 K HN 0.228 nan 8.250 nan 0.000 0.445 269 P HA -0.248 nan 4.420 nan 0.000 0.216 269 P C 1.255 178.522 177.300 -0.054 0.000 1.150 269 P CA 1.839 64.902 63.100 -0.063 0.000 0.843 269 P CB 0.019 31.687 31.700 -0.052 0.000 0.787 270 S N -1.611 114.061 115.700 -0.046 0.000 2.507 270 S HA -0.118 4.352 4.470 0.000 0.000 0.235 270 S C 1.420 175.996 174.600 -0.040 0.000 0.988 270 S CA 0.992 59.170 58.200 -0.037 0.000 0.944 270 S CB -1.001 62.182 63.200 -0.028 0.000 0.762 270 S HN 0.113 nan 8.310 nan 0.000 0.526 271 D N 1.325 121.693 120.400 -0.054 0.000 2.363 271 D HA 0.093 4.733 4.640 0.000 0.000 0.220 271 D C 1.842 178.092 176.300 -0.082 0.000 0.994 271 D CA 0.241 54.203 54.000 -0.064 0.000 0.890 271 D CB -0.087 40.665 40.800 -0.079 0.000 0.906 271 D HN 0.307 nan 8.370 nan 0.000 0.530 272 V N 1.949 121.816 119.914 -0.078 0.000 2.287 272 V HA -0.206 3.914 4.120 0.000 0.000 0.248 272 V C -0.556 175.498 176.094 -0.066 0.000 1.053 272 V CA 1.863 64.112 62.300 -0.085 0.000 1.027 272 V CB -1.278 30.506 31.823 -0.065 0.000 0.646 272 V HN 0.178 nan 8.190 nan 0.000 0.447 273 P HA -0.159 nan 4.420 nan 0.000 0.217 273 P C 1.642 178.931 177.300 -0.018 0.000 1.150 273 P CA 1.317 64.404 63.100 -0.021 0.000 0.832 273 P CB 0.029 31.723 31.700 -0.010 0.000 0.787 274 Q N -0.186 119.600 119.800 -0.023 0.000 2.137 274 Q HA -0.058 4.282 4.340 0.000 0.000 0.198 274 Q C 1.875 177.865 176.000 -0.018 0.000 0.960 274 Q CA 1.356 57.156 55.803 -0.005 0.000 0.847 274 Q CB -1.138 27.601 28.738 0.001 0.000 0.915 274 Q HN -0.036 nan 8.270 nan 0.000 0.448 275 V N 0.615 120.475 119.914 -0.090 0.000 2.379 275 V HA -0.175 3.945 4.120 0.000 0.000 0.245 275 V C 2.473 178.479 176.094 -0.146 0.000 1.044 275 V CA 1.959 64.131 62.300 -0.214 0.000 1.036 275 V CB -0.584 30.983 31.823 -0.427 0.000 0.664 275 V HN 0.406 nan 8.190 nan 0.000 0.453 276 R N 0.169 120.617 120.500 -0.086 0.000 2.091 276 R HA -0.226 4.114 4.340 0.000 0.000 0.238 276 R C 2.493 178.822 176.300 0.048 0.000 1.136 276 R CA 2.108 58.204 56.100 -0.007 0.000 0.959 276 R CB -0.296 30.009 30.300 0.010 0.000 0.856 276 R HN 0.419 nan 8.270 nan 0.000 0.437 277 R N 0.916 121.442 120.500 0.044 0.000 2.080 277 R HA -0.147 4.193 4.340 0.000 0.000 0.236 277 R C 2.466 178.834 176.300 0.112 0.000 1.137 277 R CA 2.286 58.428 56.100 0.069 0.000 0.943 277 R CB -0.500 29.832 30.300 0.055 0.000 0.846 277 R HN 0.504 nan 8.270 nan 0.000 0.431 278 I N -0.992 119.658 120.570 0.133 0.000 2.394 278 I HA -0.144 4.026 4.170 0.000 0.000 0.251 278 I C 2.140 178.434 176.117 0.295 0.000 1.136 278 I CA 0.945 62.365 61.300 0.200 0.000 1.425 278 I CB -0.392 37.737 38.000 0.214 0.000 1.079 278 I HN 0.169 nan 8.210 nan 0.000 0.425 279 L N 0.997 122.402 121.223 0.304 0.000 2.027 279 L HA -0.084 4.256 4.340 0.000 0.000 0.206 279 L C 2.474 179.508 176.870 0.273 0.000 1.074 279 L CA 1.891 56.962 54.840 0.386 0.000 0.745 279 L CB -0.544 41.725 42.059 0.351 0.000 0.898 279 L HN 0.166 nan 8.230 nan 0.000 0.433 280 M N -0.628 119.077 119.600 0.176 0.000 2.229 280 M HA -0.159 4.321 4.480 0.000 0.000 0.264 280 M C 2.124 178.506 176.300 0.137 0.000 1.063 280 M CA 1.572 56.943 55.300 0.117 0.000 1.114 280 M CB -1.689 30.956 32.600 0.075 0.000 1.387 280 M HN 0.471 nan 8.290 nan 0.000 0.420 281 N N 0.319 119.120 118.700 0.168 0.000 2.120 281 N HA -0.218 4.522 4.740 0.000 0.000 0.188 281 N C 1.698 177.354 175.510 0.242 0.000 1.024 281 N CA 1.267 54.418 53.050 0.168 0.000 0.852 281 N CB -0.293 38.287 38.487 0.154 0.000 1.003 281 N HN 0.253 nan 8.380 nan 0.000 0.424 282 Y N 1.035 121.431 120.300 0.159 0.000 2.145 282 Y HA -0.025 4.525 4.550 0.000 0.000 0.286 282 Y C 1.845 177.928 175.900 0.305 0.000 1.145 282 Y CA 1.451 59.680 58.100 0.216 0.000 1.148 282 Y CB -0.563 38.040 38.460 0.238 0.000 0.981 282 Y HN 0.113 nan 8.280 nan 0.000 0.507 283 L N -0.275 121.020 121.223 0.119 0.000 2.141 283 L HA -0.203 4.137 4.340 0.000 0.000 0.209 283 L C 1.937 178.904 176.870 0.161 0.000 1.094 283 L CA 1.468 56.336 54.840 0.047 0.000 0.763 283 L CB -0.758 41.272 42.059 -0.048 0.000 0.908 283 L HN 0.116 nan 8.230 nan 0.000 0.437 284 D N 0.167 120.627 120.400 0.100 0.000 2.239 284 D HA -0.179 4.461 4.640 0.000 0.000 0.202 284 D C 2.271 178.599 176.300 0.047 0.000 0.993 284 D CA 1.653 55.695 54.000 0.069 0.000 0.874 284 D CB -0.083 40.751 40.800 0.056 0.000 0.922 284 D HN 0.378 nan 8.370 nan 0.000 0.464 285 S N -0.933 114.764 115.700 -0.006 0.000 2.555 285 S HA -0.041 4.429 4.470 0.000 0.000 0.230 285 S C 0.563 174.960 174.600 -0.338 0.000 0.978 285 S CA -0.119 57.972 58.200 -0.181 0.000 0.934 285 S CB -0.363 62.671 63.200 -0.277 0.000 0.766 285 S HN 0.014 nan 8.310 nan 0.000 0.533 286 F N 1.966 121.876 119.950 -0.066 0.000 2.397 286 F HA 0.441 4.968 4.527 -0.000 0.000 0.331 286 F C 1.263 177.062 175.800 -0.002 0.000 1.090 286 F CA -1.175 56.794 58.000 -0.051 0.000 1.065 286 F CB 0.882 39.815 39.000 -0.112 0.000 1.184 286 F HN -0.120 nan 8.300 nan 0.000 0.499 287 D N 0.761 121.287 120.400 0.210 0.000 2.117 287 D HA -0.045 4.595 4.640 0.000 0.000 0.198 287 D C 0.210 176.626 176.300 0.192 0.000 0.982 287 D CA 1.416 55.537 54.000 0.202 0.000 0.828 287 D CB 0.192 41.150 40.800 0.264 0.000 0.967 287 D HN 0.028 nan 8.370 nan 0.000 0.464 288 V N -0.069 119.936 119.914 0.152 0.000 2.409 288 V HA 0.729 4.849 4.120 0.000 0.000 0.291 288 V C 0.483 176.591 176.094 0.022 0.000 1.020 288 V CA -0.449 61.892 62.300 0.068 0.000 0.848 288 V CB 1.645 33.484 31.823 0.027 0.000 0.990 288 V HN 0.187 nan 8.190 nan 0.000 0.430 289 G N 5.579 114.370 108.800 -0.014 0.000 2.601 289 G HA2 0.682 4.642 3.960 0.000 0.000 0.291 289 G HA3 0.682 4.642 3.960 0.000 0.000 0.291 289 G C -3.482 171.321 174.900 -0.162 0.000 1.456 289 G CA -0.950 44.102 45.100 -0.079 0.000 0.804 289 G HN 0.455 nan 8.290 nan 0.000 0.499 290 P HA 0.495 nan 4.420 nan 0.000 0.281 290 P C -0.602 176.330 177.300 -0.613 0.000 1.249 290 P CA -0.458 62.318 63.100 -0.540 0.000 0.810 290 P CB 2.082 33.186 31.700 -0.994 0.000 1.008 291 V N 2.994 122.588 119.914 -0.533 0.000 2.384 291 V HA 0.350 4.470 4.120 0.000 0.000 0.287 291 V C -0.269 175.640 176.094 -0.309 0.000 1.020 291 V CA -0.282 61.806 62.300 -0.352 0.000 0.850 291 V CB 0.366 32.077 31.823 -0.187 0.000 0.987 291 V HN 0.332 nan 8.190 nan 0.000 0.436 292 F N 2.574 122.502 119.950 -0.037 0.000 2.458 292 F HA 0.598 5.125 4.527 0.000 0.000 0.336 292 F C 0.882 176.685 175.800 0.005 0.000 1.114 292 F CA -0.778 57.216 58.000 -0.009 0.000 0.987 292 F CB 2.025 41.004 39.000 -0.034 0.000 1.130 292 F HN 0.568 nan 8.300 nan 0.000 0.458 293 S N 0.911 116.754 115.700 0.237 0.000 2.634 293 S HA 0.152 4.622 4.470 0.000 0.000 0.261 293 S C 0.799 175.456 174.600 0.095 0.000 1.271 293 S CA -0.615 57.663 58.200 0.130 0.000 0.985 293 S CB 0.820 64.082 63.200 0.105 0.000 0.968 293 S HN 0.571 nan 8.310 nan 0.000 0.568 294 D N 1.291 121.722 120.400 0.052 0.000 2.116 294 D HA -0.103 4.537 4.640 0.000 0.000 0.193 294 D C 2.232 178.538 176.300 0.009 0.000 0.998 294 D CA 1.961 55.973 54.000 0.020 0.000 0.836 294 D CB -0.951 39.854 40.800 0.009 0.000 0.951 294 D HN 0.712 nan 8.370 nan 0.000 0.449 295 A N 0.800 123.630 122.820 0.017 0.000 1.940 295 A HA -0.218 4.102 4.320 0.000 0.000 0.219 295 A C 2.081 179.667 177.584 0.004 0.000 1.176 295 A CA 1.634 53.675 52.037 0.006 0.000 0.631 295 A CB -0.494 18.507 19.000 0.002 0.000 0.814 295 A HN 0.240 nan 8.150 nan 0.000 0.446 296 E N -0.531 119.688 120.200 0.031 0.000 2.158 296 E HA -0.061 4.289 4.350 0.000 0.000 0.191 296 E C 1.824 178.373 176.600 -0.085 0.000 0.982 296 E CA 0.608 57.019 56.400 0.018 0.000 0.823 296 E CB -0.117 29.706 29.700 0.205 0.000 0.766 296 E HN 0.513 nan 8.360 nan 0.000 0.468 297 I N 1.104 121.617 120.570 -0.095 0.000 2.226 297 I HA -0.230 3.940 4.170 0.000 0.000 0.245 297 I C 2.202 178.265 176.117 -0.089 0.000 1.100 297 I CA 1.217 62.424 61.300 -0.154 0.000 1.374 297 I CB -0.891 37.049 38.000 -0.100 0.000 1.057 297 I HN 0.023 nan 8.210 nan 0.000 0.413 298 S N -0.456 115.212 115.700 -0.054 0.000 2.368 298 S HA -0.243 4.227 4.470 0.000 0.000 0.225 298 S C 1.976 176.558 174.600 -0.030 0.000 1.030 298 S CA 1.482 59.655 58.200 -0.045 0.000 0.999 298 S CB -0.479 62.702 63.200 -0.032 0.000 0.844 298 S HN 0.544 nan 8.310 nan 0.000 0.459 299 H N 0.012 119.011 119.070 -0.118 0.000 2.270 299 H HA -0.063 4.493 4.556 0.000 0.000 0.299 299 H C 1.576 176.893 175.328 -0.019 0.000 1.077 299 H CA 1.836 57.786 56.048 -0.163 0.000 1.294 299 H CB -0.305 29.215 29.762 -0.404 0.000 1.371 299 H HN 0.407 nan 8.280 nan 0.000 0.491 300 Y N -0.667 119.688 120.300 0.092 0.000 2.561 300 Y HA 0.073 4.623 4.550 0.000 0.000 0.291 300 Y C 1.778 177.901 175.900 0.371 0.000 1.141 300 Y CA 0.612 58.855 58.100 0.238 0.000 1.303 300 Y CB 0.335 38.780 38.460 -0.025 0.000 1.015 300 Y HN 0.216 nan 8.280 nan 0.000 0.547 301 L N -1.696 119.668 121.223 0.234 0.000 2.766 301 L HA 0.189 4.529 4.340 0.000 0.000 0.241 301 L C 0.211 177.083 176.870 0.003 0.000 1.080 301 L CA -0.057 54.881 54.840 0.163 0.000 0.909 301 L CB 0.272 42.347 42.059 0.027 0.000 1.277 301 L HN -0.100 nan 8.230 nan 0.000 0.510 302 L N 2.447 123.632 121.223 -0.064 0.000 2.490 302 L HA 0.079 4.420 4.340 0.000 0.000 0.274 302 L C -1.956 174.783 176.870 -0.219 0.000 1.201 302 L CA -1.543 53.215 54.840 -0.137 0.000 0.869 302 L CB -0.046 41.934 42.059 -0.132 0.000 1.123 302 L HN -0.226 nan 8.230 nan 0.000 0.484 303 P HA 0.101 nan 4.420 nan 0.000 0.265 303 P C -1.022 176.039 177.300 -0.398 0.000 1.193 303 P CA 0.271 63.155 63.100 -0.361 0.000 0.765 303 P CB 0.462 31.964 31.700 -0.329 0.000 0.823 304 R N 2.131 122.299 120.500 -0.552 0.000 2.532 304 R HA 0.292 4.632 4.340 0.000 0.000 0.297 304 R C -0.792 175.183 176.300 -0.541 0.000 0.984 304 R CA -0.919 54.879 56.100 -0.503 0.000 0.884 304 R CB 1.444 31.394 30.300 -0.583 0.000 1.182 304 R HN 0.387 nan 8.270 nan 0.000 0.442 305 D N 1.057 121.249 120.400 -0.347 0.000 2.488 305 D HA 0.082 4.722 4.640 0.000 0.000 0.238 305 D C 1.455 177.641 176.300 -0.191 0.000 1.138 305 D CA 1.627 55.476 54.000 -0.253 0.000 0.873 305 D CB 0.908 41.639 40.800 -0.115 0.000 1.183 305 D HN 0.821 nan 8.370 nan 0.000 0.458 306 G N 0.828 109.591 108.800 -0.061 0.000 2.189 306 G HA2 -0.311 3.649 3.960 0.000 0.000 0.267 306 G HA3 -0.311 3.649 3.960 0.000 0.000 0.267 306 G C 0.880 175.877 174.900 0.163 0.000 0.975 306 G CA 0.622 45.816 45.100 0.156 0.000 0.644 306 G HN 0.452 nan 8.290 nan 0.000 0.537 307 V N -1.342 118.447 119.914 -0.209 0.000 3.134 307 V HA 0.565 4.685 4.120 0.000 0.000 0.222 307 V C 0.884 176.721 176.094 -0.429 0.000 1.247 307 V CA 1.108 63.279 62.300 -0.216 0.000 1.281 307 V CB 1.134 32.638 31.823 -0.532 0.000 1.169 307 V HN 0.742 nan 8.190 nan 0.000 0.512 308 V N 0.617 119.993 119.914 -0.897 0.000 2.638 308 V HA 0.662 4.782 4.120 0.000 0.000 0.306 308 V C -2.068 173.532 176.094 -0.824 0.000 1.052 308 V CA -0.542 61.344 62.300 -0.690 0.000 0.885 308 V CB 1.906 33.211 31.823 -0.862 0.000 0.999 308 V HN 0.285 nan 8.190 nan 0.000 0.424 309 F N 3.767 123.471 119.950 -0.409 0.000 2.477 309 F HA 0.757 5.284 4.527 0.000 0.000 0.335 309 F C 0.300 175.955 175.800 -0.242 0.000 1.130 309 F CA -0.425 57.301 58.000 -0.458 0.000 0.948 309 F CB 2.556 40.945 39.000 -1.018 0.000 1.154 309 F HN 0.400 nan 8.300 nan 0.000 0.439 310 T N 2.563 117.050 114.554 -0.112 0.000 2.921 310 T HA 0.515 4.865 4.350 0.000 0.000 0.297 310 T C -1.483 173.017 174.700 -0.333 0.000 1.013 310 T CA -0.843 61.245 62.100 -0.020 0.000 0.990 310 T CB 1.035 69.935 68.868 0.054 0.000 1.023 310 T HN 0.300 nan 8.240 nan 0.000 0.447 311 Y N 1.088 121.200 120.300 -0.313 0.000 2.462 311 Y HA 0.622 5.172 4.550 0.000 0.000 0.346 311 Y C 0.159 175.890 175.900 -0.281 0.000 0.976 311 Y CA -1.182 56.688 58.100 -0.384 0.000 1.044 311 Y CB 1.858 39.916 38.460 -0.671 0.000 1.230 311 Y HN 0.574 nan 8.280 nan 0.000 0.455 312 V N 0.145 120.069 119.914 0.017 0.000 2.769 312 V HA 0.740 4.860 4.120 0.000 0.000 0.312 312 V C -0.794 175.352 176.094 0.087 0.000 1.058 312 V CA -1.011 61.338 62.300 0.082 0.000 0.952 312 V CB 1.611 33.471 31.823 0.062 0.000 1.019 312 V HN 0.475 nan 8.190 nan 0.000 0.445 313 V N 3.301 123.277 119.914 0.104 0.000 2.348 313 V HA 0.440 4.560 4.120 0.000 0.000 0.270 313 V C 0.148 176.285 176.094 0.073 0.000 1.037 313 V CA -0.046 62.307 62.300 0.088 0.000 0.872 313 V CB 0.719 32.594 31.823 0.088 0.000 1.002 313 V HN 1.066 nan 8.190 nan 0.000 0.464 314 E N 4.891 125.127 120.200 0.059 0.000 2.145 314 E HA 0.442 4.792 4.350 0.000 0.000 0.262 314 E C -0.935 175.689 176.600 0.040 0.000 0.883 314 E CA -0.550 55.877 56.400 0.045 0.000 0.748 314 E CB 1.042 30.764 29.700 0.036 0.000 1.140 314 E HN 0.798 nan 8.360 nan 0.000 0.417 315 N N 3.490 122.211 118.700 0.036 0.000 2.284 315 N HA 0.213 4.953 4.740 0.000 0.000 0.300 315 N C -1.379 174.147 175.510 0.026 0.000 1.047 315 N CA -0.648 52.420 53.050 0.030 0.000 0.821 315 N CB 1.404 39.908 38.487 0.029 0.000 1.337 315 N HN 0.420 nan 8.380 nan 0.000 0.482 316 D N 1.865 122.278 120.400 0.022 0.000 2.772 316 D HA -0.208 4.432 4.640 0.000 0.000 0.233 316 D C -0.512 175.800 176.300 0.019 0.000 1.143 316 D CA 0.930 54.941 54.000 0.019 0.000 0.700 316 D CB -0.657 40.154 40.800 0.018 0.000 1.076 316 D HN 0.848 nan 8.370 nan 0.000 0.430 317 K N -2.474 117.937 120.400 0.019 0.000 3.446 317 K HA -0.256 4.064 4.320 0.000 0.000 0.312 317 K C 0.406 177.018 176.600 0.019 0.000 1.329 317 K CA 1.417 57.714 56.287 0.017 0.000 0.935 317 K CB -0.807 31.701 32.500 0.013 0.000 1.281 317 K HN 0.443 nan 8.250 nan 0.000 0.457 318 K N 1.338 121.752 120.400 0.024 0.000 2.397 318 K HA 0.375 4.695 4.320 0.000 0.000 0.253 318 K C -0.672 175.949 176.600 0.035 0.000 0.932 318 K CA -0.674 55.629 56.287 0.027 0.000 0.795 318 K CB 1.981 34.498 32.500 0.028 0.000 1.159 318 K HN -0.056 nan 8.250 nan 0.000 0.424 319 V N 4.165 124.101 119.914 0.037 0.000 2.427 319 V HA 0.080 4.200 4.120 0.000 0.000 0.268 319 V C 1.092 177.228 176.094 0.071 0.000 1.046 319 V CA 0.168 62.500 62.300 0.053 0.000 0.970 319 V CB 0.927 32.776 31.823 0.044 0.000 1.001 319 V HN 1.057 nan 8.190 nan 0.000 0.476 320 T N 0.067 114.670 114.554 0.083 0.000 2.971 320 T HA 0.316 4.666 4.350 0.000 0.000 0.252 320 T C 0.039 174.807 174.700 0.113 0.000 1.022 320 T CA -0.134 62.016 62.100 0.084 0.000 0.980 320 T CB 0.272 69.176 68.868 0.060 0.000 1.044 320 T HN 0.636 nan 8.240 nan 0.000 0.501 321 D N 0.244 120.732 120.400 0.147 0.000 2.623 321 D HA 0.635 5.275 4.640 0.000 0.000 0.241 321 D C -1.408 175.062 176.300 0.284 0.000 1.241 321 D CA -0.851 53.254 54.000 0.175 0.000 0.788 321 D CB 1.874 42.735 40.800 0.102 0.000 1.413 321 D HN 0.342 nan 8.370 nan 0.000 0.429 322 F N -0.372 119.656 119.950 0.130 0.000 2.693 322 F HA 0.796 5.323 4.527 0.000 0.000 0.309 322 F C -2.183 173.771 175.800 0.257 0.000 1.129 322 F CA -1.303 56.758 58.000 0.101 0.000 0.948 322 F CB 1.133 40.176 39.000 0.071 0.000 1.315 322 F HN 0.321 nan 8.300 nan 0.000 0.447 323 F N 0.320 120.330 119.950 0.100 0.000 2.629 323 F HA 0.894 5.421 4.527 0.000 0.000 0.316 323 F C -1.064 174.981 175.800 0.407 0.000 1.081 323 F CA -1.269 56.755 58.000 0.038 0.000 0.954 323 F CB 1.467 40.505 39.000 0.064 0.000 1.337 323 F HN 0.767 nan 8.300 nan 0.000 0.474 324 S N 1.217 117.380 115.700 0.773 0.000 2.564 324 S HA 0.873 5.343 4.470 0.000 0.000 0.274 324 S C -1.526 173.580 174.600 0.842 0.000 1.124 324 S CA -0.614 58.043 58.200 0.762 0.000 0.869 324 S CB 1.169 64.822 63.200 0.755 0.000 1.105 324 S HN 1.041 nan 8.310 nan 0.000 0.472 325 F N 1.443 121.754 119.950 0.602 0.000 2.626 325 F HA 0.859 5.386 4.527 0.000 0.000 0.311 325 F C -1.280 174.769 175.800 0.415 0.000 1.088 325 F CA -1.340 56.882 58.000 0.370 0.000 0.949 325 F CB 0.710 39.771 39.000 0.102 0.000 1.322 325 F HN 0.637 nan 8.300 nan 0.000 0.461 326 Y N -0.236 120.362 120.300 0.496 0.000 2.562 326 Y HA 0.741 5.291 4.550 0.000 0.000 0.343 326 Y C -0.800 175.477 175.900 0.629 0.000 1.025 326 Y CA -1.806 56.558 58.100 0.440 0.000 1.082 326 Y CB 1.311 39.968 38.460 0.328 0.000 1.264 326 Y HN 0.960 nan 8.280 nan 0.000 0.478 327 R N 2.978 123.992 120.500 0.857 0.000 2.338 327 R HA 0.702 5.042 4.340 0.000 0.000 0.317 327 R C -1.890 174.753 176.300 0.571 0.000 0.968 327 R CA -0.511 56.061 56.100 0.788 0.000 0.849 327 R CB 0.639 31.494 30.300 0.924 0.000 1.128 327 R HN 0.958 nan 8.270 nan 0.000 0.448 328 I N 7.145 127.945 120.570 0.382 0.000 2.468 328 I HA 0.352 4.522 4.170 0.000 0.000 0.284 328 I C -2.240 173.958 176.117 0.136 0.000 1.038 328 I CA -2.452 58.818 61.300 -0.050 0.000 1.083 328 I CB 2.176 39.820 38.000 -0.593 0.000 1.223 328 I HN 0.513 nan 8.210 nan 0.000 0.443 329 P HA 0.315 nan 4.420 nan 0.000 0.276 329 P C -0.754 176.640 177.300 0.157 0.000 1.244 329 P CA -0.419 62.758 63.100 0.128 0.000 0.801 329 P CB 1.288 33.056 31.700 0.112 0.000 1.006 330 S N -0.094 115.699 115.700 0.155 0.000 2.513 330 S HA 0.417 4.888 4.470 0.000 0.000 0.299 330 S C -0.383 174.322 174.600 0.175 0.000 1.087 330 S CA -0.447 57.870 58.200 0.196 0.000 1.012 330 S CB 0.923 64.228 63.200 0.176 0.000 1.044 330 S HN 0.341 nan 8.310 nan 0.000 0.485 331 T N 2.336 116.999 114.554 0.181 0.000 2.888 331 T HA 0.182 4.532 4.350 0.000 0.000 0.301 331 T C -0.017 174.811 174.700 0.214 0.000 1.001 331 T CA -0.104 62.094 62.100 0.162 0.000 1.147 331 T CB 0.173 69.113 68.868 0.121 0.000 0.931 331 T HN 0.348 nan 8.240 nan 0.000 0.541 332 V N 6.132 126.169 119.914 0.204 0.000 2.353 332 V HA 0.190 4.310 4.120 0.000 0.000 0.264 332 V C 1.315 177.459 176.094 0.083 0.000 1.049 332 V CA -0.133 62.299 62.300 0.220 0.000 0.896 332 V CB 0.338 32.312 31.823 0.253 0.000 1.025 332 V HN 0.874 nan 8.190 nan 0.000 0.475 333 I N 3.108 123.672 120.570 -0.010 0.000 2.500 333 I HA 0.017 4.187 4.170 0.000 0.000 0.252 333 I C 2.152 178.245 176.117 -0.041 0.000 1.142 333 I CA 1.659 62.937 61.300 -0.035 0.000 1.451 333 I CB 0.019 37.968 38.000 -0.086 0.000 1.093 333 I HN 0.749 nan 8.210 nan 0.000 0.430 334 G N -0.655 108.105 108.800 -0.067 0.000 2.759 334 G HA2 0.011 3.971 3.960 0.000 0.000 0.208 334 G HA3 0.011 3.971 3.960 0.000 0.000 0.208 334 G C 0.337 175.227 174.900 -0.017 0.000 1.076 334 G CA -0.244 44.823 45.100 -0.055 0.000 0.789 334 G HN 0.182 nan 8.290 nan 0.000 0.546 335 N N 0.630 119.339 118.700 0.014 0.000 2.513 335 N HA 0.263 5.003 4.740 0.000 0.000 0.268 335 N C 0.649 176.190 175.510 0.053 0.000 1.180 335 N CA 0.112 53.198 53.050 0.060 0.000 0.948 335 N CB 1.226 39.800 38.487 0.145 0.000 1.083 335 N HN -0.065 nan 8.380 nan 0.000 0.455 336 S N 2.350 118.069 115.700 0.031 0.000 2.582 336 S HA 0.269 4.739 4.470 0.000 0.000 0.249 336 S C 0.015 174.599 174.600 -0.026 0.000 1.072 336 S CA -0.292 57.911 58.200 0.005 0.000 1.115 336 S CB -0.623 62.574 63.200 -0.005 0.000 0.790 336 S HN 0.631 nan 8.310 nan 0.000 0.459 337 N N -0.267 118.413 118.700 -0.033 0.000 2.104 337 N HA 0.282 5.022 4.740 0.000 0.000 0.227 337 N C -1.411 173.834 175.510 -0.441 0.000 1.321 337 N CA 0.139 53.056 53.050 -0.221 0.000 0.877 337 N CB 0.698 39.024 38.487 -0.268 0.000 1.117 337 N HN 0.317 nan 8.380 nan 0.000 0.486 338 Y N -0.540 119.770 120.300 0.018 0.000 2.492 338 Y HA 0.385 4.935 4.550 0.000 0.000 0.346 338 Y C 0.797 176.718 175.900 0.034 0.000 0.997 338 Y CA -0.916 57.197 58.100 0.021 0.000 1.025 338 Y CB 1.794 40.270 38.460 0.026 0.000 1.263 338 Y HN -0.221 nan 8.280 nan 0.000 0.454 339 N N 0.523 119.345 118.700 0.203 0.000 2.439 339 N HA 0.206 4.946 4.740 0.000 0.000 0.176 339 N C -1.151 174.444 175.510 0.142 0.000 1.029 339 N CA 0.586 53.717 53.050 0.135 0.000 0.886 339 N CB 0.464 39.009 38.487 0.096 0.000 1.057 339 N HN 0.344 nan 8.380 nan 0.000 0.437 340 L N 0.381 121.689 121.223 0.141 0.000 2.409 340 L HA 0.486 4.826 4.340 0.000 0.000 0.262 340 L C -1.647 175.242 176.870 0.031 0.000 0.992 340 L CA -1.008 53.890 54.840 0.097 0.000 0.817 340 L CB 1.867 43.970 42.059 0.073 0.000 1.350 340 L HN -0.066 nan 8.230 nan 0.000 0.411 341 L N 3.278 124.497 121.223 -0.008 0.000 2.280 341 L HA 0.551 4.891 4.340 0.000 0.000 0.287 341 L C -0.682 176.129 176.870 -0.097 0.000 1.023 341 L CA -0.032 54.724 54.840 -0.141 0.000 0.819 341 L CB 0.874 42.779 42.059 -0.257 0.000 1.212 341 L HN 0.620 nan 8.230 nan 0.000 0.420 342 N N 4.345 122.969 118.700 -0.127 0.000 2.527 342 N HA 0.629 5.369 4.740 0.000 0.000 0.236 342 N C -1.016 174.541 175.510 0.078 0.000 0.999 342 N CA -0.074 52.941 53.050 -0.058 0.000 0.935 342 N CB 1.092 39.447 38.487 -0.221 0.000 1.132 342 N HN 0.764 nan 8.380 nan 0.000 0.511 343 A N 2.152 125.079 122.820 0.180 0.000 2.305 343 A HA 0.824 5.145 4.320 0.000 0.000 0.322 343 A C -0.401 177.339 177.584 0.260 0.000 1.187 343 A CA -0.744 51.358 52.037 0.108 0.000 0.825 343 A CB 0.842 19.837 19.000 -0.009 0.000 1.164 343 A HN 0.660 nan 8.150 nan 0.000 0.498 344 A N 1.677 124.429 122.820 -0.113 0.000 2.288 344 A HA 0.684 5.005 4.320 0.000 0.000 0.320 344 A C -1.345 176.030 177.584 -0.348 0.000 1.217 344 A CA -0.297 51.528 52.037 -0.354 0.000 0.840 344 A CB 0.264 18.670 19.000 -0.989 0.000 1.179 344 A HN 0.706 nan 8.150 nan 0.000 0.504 345 Y N 1.576 121.735 120.300 -0.236 0.000 2.335 345 Y HA 0.394 4.944 4.550 0.000 0.000 0.338 345 Y C 0.383 176.159 175.900 -0.206 0.000 0.977 345 Y CA -0.641 57.272 58.100 -0.312 0.000 1.114 345 Y CB 1.829 39.826 38.460 -0.772 0.000 1.182 345 Y HN 0.433 nan 8.280 nan 0.000 0.463 346 V N 4.732 124.730 119.914 0.140 0.000 2.599 346 V HA -0.041 4.079 4.120 0.000 0.000 0.300 346 V C 0.302 176.636 176.094 0.400 0.000 1.034 346 V CA 0.451 62.922 62.300 0.285 0.000 1.115 346 V CB 0.134 32.133 31.823 0.294 0.000 0.934 346 V HN 0.821 nan 8.190 nan 0.000 0.485 347 H N 4.066 123.368 119.070 0.386 0.000 3.701 347 H HA 0.471 5.027 4.556 0.000 0.000 0.241 347 H C -0.587 174.840 175.328 0.165 0.000 1.585 347 H CA -0.856 55.416 56.048 0.373 0.000 1.538 347 H CB 0.305 30.442 29.762 0.626 0.000 0.731 347 H HN 0.453 nan 8.280 nan 0.000 0.768 348 Y N -0.095 120.302 120.300 0.162 0.000 2.314 348 Y HA 0.304 4.854 4.550 0.000 0.000 0.334 348 Y C -0.400 175.544 175.900 0.073 0.000 1.266 348 Y CA 0.456 58.597 58.100 0.069 0.000 1.391 348 Y CB 0.508 39.036 38.460 0.113 0.000 1.306 348 Y HN 0.471 nan 8.280 nan 0.000 0.558 349 Y N -1.588 118.715 120.300 0.005 0.000 2.689 349 Y HA 0.862 5.412 4.550 0.000 0.000 0.333 349 Y C -1.572 174.079 175.900 -0.417 0.000 1.208 349 Y CA -2.107 55.615 58.100 -0.630 0.000 1.055 349 Y CB 1.063 39.407 38.460 -0.193 0.000 1.304 349 Y HN 0.651 nan 8.280 nan 0.000 0.455 350 A N 0.883 123.543 122.820 -0.266 0.000 2.532 350 A HA 0.849 5.169 4.320 0.000 0.000 0.296 350 A C -1.760 175.810 177.584 -0.023 0.000 1.058 350 A CA -0.233 51.777 52.037 -0.045 0.000 0.729 350 A CB 0.846 19.990 19.000 0.240 0.000 1.285 350 A HN 1.841 nan 8.150 nan 0.000 0.396 351 A N 1.625 124.387 122.820 -0.098 0.000 2.291 351 A HA 0.703 5.023 4.320 0.000 0.000 0.311 351 A C 0.736 178.299 177.584 -0.035 0.000 1.224 351 A CA 0.221 52.228 52.037 -0.050 0.000 0.821 351 A CB 0.593 19.545 19.000 -0.080 0.000 1.172 351 A HN 1.863 nan 8.150 nan 0.000 0.494 352 T N -1.827 112.735 114.554 0.013 0.000 2.964 352 T HA 0.035 4.386 4.350 0.000 0.000 0.249 352 T C 1.419 176.131 174.700 0.019 0.000 1.000 352 T CA 1.202 63.316 62.100 0.025 0.000 0.992 352 T CB -0.176 68.722 68.868 0.051 0.000 1.087 352 T HN 1.079 nan 8.240 nan 0.000 0.489 353 S N 1.342 117.052 115.700 0.016 0.000 2.520 353 S HA 0.435 4.906 4.470 0.000 0.000 0.219 353 S C 0.536 175.131 174.600 -0.007 0.000 1.028 353 S CA -0.499 57.707 58.200 0.011 0.000 0.921 353 S CB -0.498 62.715 63.200 0.021 0.000 0.844 353 S HN 0.782 nan 8.310 nan 0.000 0.495 354 I N -1.790 118.764 120.570 -0.028 0.000 2.969 354 I HA 0.677 4.847 4.170 0.000 0.000 0.307 354 I C -3.173 172.881 176.117 -0.104 0.000 1.149 354 I CA -3.054 58.208 61.300 -0.064 0.000 1.008 354 I CB 1.202 39.159 38.000 -0.072 0.000 1.232 354 I HN -0.275 nan 8.210 nan 0.000 0.435 355 P HA 0.091 nan 4.420 nan 0.000 0.269 355 P C 0.523 177.658 177.300 -0.276 0.000 1.209 355 P CA -0.365 62.608 63.100 -0.213 0.000 0.776 355 P CB 0.767 32.265 31.700 -0.336 0.000 0.876 356 L N 3.293 124.424 121.223 -0.153 0.000 2.079 356 L HA -0.227 4.113 4.340 0.000 0.000 0.210 356 L C 2.325 179.052 176.870 -0.239 0.000 1.081 356 L CA 2.193 56.936 54.840 -0.162 0.000 0.752 356 L CB -1.475 40.574 42.059 -0.017 0.000 0.896 356 L HN 0.592 nan 8.230 nan 0.000 0.433 357 H N -2.083 116.942 119.070 -0.074 0.000 2.421 357 H HA -0.168 4.388 4.556 0.000 0.000 0.298 357 H C 2.089 177.319 175.328 -0.163 0.000 1.087 357 H CA 1.616 57.598 56.048 -0.109 0.000 1.330 357 H CB -0.589 29.179 29.762 0.011 0.000 1.388 357 H HN 0.593 nan 8.280 nan 0.000 0.526 358 Q N 0.088 119.560 119.800 -0.546 0.000 2.123 358 Q HA -0.082 4.258 4.340 0.000 0.000 0.199 358 Q C 2.154 178.027 176.000 -0.211 0.000 0.966 358 Q CA 1.015 56.636 55.803 -0.304 0.000 0.845 358 Q CB -0.007 28.538 28.738 -0.322 0.000 0.907 358 Q HN 0.505 nan 8.270 nan 0.000 0.439 359 L N 0.582 121.664 121.223 -0.235 0.000 2.017 359 L HA -0.174 4.166 4.340 0.000 0.000 0.208 359 L C 1.949 178.626 176.870 -0.322 0.000 1.073 359 L CA 1.565 56.310 54.840 -0.159 0.000 0.745 359 L CB -0.360 41.618 42.059 -0.134 0.000 0.894 359 L HN 0.296 nan 8.230 nan 0.000 0.432 360 I N -0.635 119.625 120.570 -0.517 0.000 2.761 360 I HA -0.137 4.033 4.170 0.000 0.000 0.261 360 I C 2.344 178.138 176.117 -0.538 0.000 1.198 360 I CA 0.720 61.584 61.300 -0.726 0.000 1.482 360 I CB -1.254 36.009 38.000 -1.228 0.000 1.100 360 I HN 0.344 nan 8.210 nan 0.000 0.445 361 L N 1.295 122.312 121.223 -0.344 0.000 2.131 361 L HA -0.179 4.161 4.340 0.000 0.000 0.210 361 L C 1.777 178.488 176.870 -0.265 0.000 1.092 361 L CA 1.961 56.657 54.840 -0.239 0.000 0.759 361 L CB -0.692 41.294 42.059 -0.122 0.000 0.903 361 L HN 0.075 nan 8.230 nan 0.000 0.435 362 D N -0.796 119.439 120.400 -0.276 0.000 2.224 362 D HA -0.133 4.507 4.640 0.000 0.000 0.205 362 D C 2.237 178.286 176.300 -0.419 0.000 0.965 362 D CA 0.990 54.865 54.000 -0.208 0.000 0.852 362 D CB -0.059 40.743 40.800 0.004 0.000 0.947 362 D HN 0.431 nan 8.370 nan 0.000 0.494 363 L N 0.202 120.852 121.223 -0.955 0.000 2.012 363 L HA -0.169 4.171 4.340 0.000 0.000 0.210 363 L C 2.093 178.581 176.870 -0.637 0.000 1.073 363 L CA 1.142 55.301 54.840 -1.135 0.000 0.748 363 L CB -0.132 41.127 42.059 -1.334 0.000 0.891 363 L HN 0.030 nan 8.230 nan 0.000 0.431 364 L N -0.461 120.465 121.223 -0.494 0.000 2.083 364 L HA -0.256 4.084 4.340 0.000 0.000 0.209 364 L C 2.523 179.240 176.870 -0.255 0.000 1.083 364 L CA 1.356 55.971 54.840 -0.375 0.000 0.752 364 L CB -0.530 41.349 42.059 -0.301 0.000 0.899 364 L HN 0.314 nan 8.230 nan 0.000 0.433 365 I N -0.703 119.743 120.570 -0.206 0.000 2.179 365 I HA -0.262 3.908 4.170 0.000 0.000 0.242 365 I C 2.470 178.552 176.117 -0.058 0.000 1.088 365 I CA 1.116 62.358 61.300 -0.096 0.000 1.357 365 I CB -0.255 37.694 38.000 -0.084 0.000 1.051 365 I HN 0.001 nan 8.210 nan 0.000 0.409 366 V N 1.019 120.863 119.914 -0.116 0.000 2.287 366 V HA -0.319 3.801 4.120 0.000 0.000 0.248 366 V C 2.699 178.775 176.094 -0.030 0.000 1.053 366 V CA 2.061 64.329 62.300 -0.054 0.000 1.027 366 V CB -1.165 30.612 31.823 -0.076 0.000 0.646 366 V HN 0.508 nan 8.190 nan 0.000 0.447 367 A N -0.793 121.854 122.820 -0.289 0.000 1.902 367 A HA -0.290 4.030 4.320 0.000 0.000 0.217 367 A C 2.275 179.859 177.584 0.001 0.000 1.181 367 A CA 2.003 53.802 52.037 -0.397 0.000 0.623 367 A CB -0.936 17.460 19.000 -1.007 0.000 0.818 367 A HN 0.725 nan 8.150 nan 0.000 0.443 368 H N -0.450 118.542 119.070 -0.130 0.000 2.321 368 H HA -0.117 4.439 4.556 0.000 0.000 0.300 368 H C 2.379 177.697 175.328 -0.017 0.000 1.087 368 H CA 1.823 57.830 56.048 -0.069 0.000 1.319 368 H CB -0.122 29.578 29.762 -0.103 0.000 1.379 368 H HN 0.472 nan 8.280 nan 0.000 0.501 369 S N 0.231 115.883 115.700 -0.080 0.000 2.400 369 S HA -0.106 4.364 4.470 0.000 0.000 0.232 369 S C 1.926 176.488 174.600 -0.064 0.000 1.025 369 S CA 0.974 59.119 58.200 -0.092 0.000 0.993 369 S CB -0.158 63.053 63.200 0.018 0.000 0.808 369 S HN 0.500 nan 8.310 nan 0.000 0.478 370 R N -0.111 120.406 120.500 0.029 0.000 2.319 370 R HA 0.205 4.545 4.340 0.000 0.000 0.204 370 R C 1.406 177.656 176.300 -0.083 0.000 0.954 370 R CA 0.529 56.666 56.100 0.061 0.000 1.066 370 R CB -0.089 30.349 30.300 0.231 0.000 0.991 370 R HN 0.486 nan 8.270 nan 0.000 0.486 371 G N 0.435 109.145 108.800 -0.150 0.000 2.141 371 G HA2 -0.274 3.686 3.960 0.000 0.000 0.231 371 G HA3 -0.274 3.686 3.960 0.000 0.000 0.231 371 G C 0.016 174.726 174.900 -0.317 0.000 0.984 371 G CA -0.532 44.422 45.100 -0.243 0.000 0.660 371 G HN 0.205 nan 8.290 nan 0.000 0.525 372 F N 0.953 120.802 119.950 -0.167 0.000 2.459 372 F HA 0.404 4.931 4.527 0.000 0.000 0.346 372 F C 1.411 177.095 175.800 -0.194 0.000 1.128 372 F CA 0.117 58.011 58.000 -0.176 0.000 1.268 372 F CB 0.695 39.563 39.000 -0.219 0.000 1.161 372 F HN -0.055 nan 8.300 nan 0.000 0.583 373 D N 0.567 120.925 120.400 -0.071 0.000 2.355 373 D HA 0.103 4.743 4.640 0.000 0.000 0.206 373 D C -0.128 176.016 176.300 -0.260 0.000 1.010 373 D CA 0.764 54.649 54.000 -0.191 0.000 0.875 373 D CB 1.030 41.653 40.800 -0.294 0.000 0.966 373 D HN 0.193 nan 8.370 nan 0.000 0.512 374 V N -0.160 119.596 119.914 -0.263 0.000 3.147 374 V HA 0.373 4.493 4.120 0.000 0.000 0.299 374 V C -1.811 174.105 176.094 -0.296 0.000 1.302 374 V CA -0.956 61.143 62.300 -0.334 0.000 1.015 374 V CB 2.536 34.030 31.823 -0.548 0.000 1.086 374 V HN 0.147 nan 8.190 nan 0.000 0.437 375 C N 5.831 124.950 119.300 -0.302 0.000 2.345 375 C HA 0.767 5.227 4.460 0.000 0.000 0.323 375 C C -0.411 174.516 174.990 -0.105 0.000 1.276 375 C CA -0.463 58.385 59.018 -0.283 0.000 1.543 375 C CB 0.076 27.634 27.740 -0.303 0.000 2.211 375 C HN 0.923 nan 8.230 nan 0.000 0.493 376 N N 4.928 123.505 118.700 -0.205 0.000 2.404 376 N HA 0.839 5.579 4.740 0.000 0.000 0.297 376 N C -0.587 175.013 175.510 0.150 0.000 1.163 376 N CA -0.323 52.716 53.050 -0.017 0.000 0.864 376 N CB 1.763 39.996 38.487 -0.424 0.000 1.247 376 N HN 0.928 nan 8.380 nan 0.000 0.510 377 M N -2.085 117.707 119.600 0.320 0.000 2.833 377 M HA 0.542 5.023 4.480 0.000 0.000 0.270 377 M C -1.804 174.703 176.300 0.346 0.000 1.209 377 M CA -0.860 54.627 55.300 0.312 0.000 0.826 377 M CB 1.258 33.972 32.600 0.190 0.000 1.657 377 M HN 0.028 nan 8.290 nan 0.000 0.492 378 V N 0.966 121.042 119.914 0.270 0.000 2.994 378 V HA 0.350 4.470 4.120 0.000 0.000 0.318 378 V C 0.369 176.534 176.094 0.119 0.000 1.085 378 V CA -0.436 61.988 62.300 0.207 0.000 0.998 378 V CB 1.892 33.793 31.823 0.129 0.000 1.063 378 V HN 0.977 nan 8.190 nan 0.000 0.447 379 E N 2.249 122.513 120.200 0.107 0.000 2.424 379 E HA 0.154 4.504 4.350 0.000 0.000 0.237 379 E C 0.227 176.798 176.600 -0.049 0.000 1.381 379 E CA -0.077 56.294 56.400 -0.048 0.000 1.587 379 E CB -0.326 29.384 29.700 0.016 0.000 1.398 379 E HN 0.688 nan 8.360 nan 0.000 0.439 380 I N -2.635 117.916 120.570 -0.031 0.000 3.468 380 I HA 0.325 4.495 4.170 0.000 0.000 0.299 380 I C 0.761 176.840 176.117 -0.063 0.000 1.141 380 I CA -1.174 60.084 61.300 -0.070 0.000 0.950 380 I CB 0.352 38.294 38.000 -0.096 0.000 1.522 380 I HN 0.120 nan 8.210 nan 0.000 0.699 381 L N -0.951 120.160 121.223 -0.188 0.000 6.593 381 L HA -0.301 4.039 4.340 0.000 0.000 0.053 381 L C 0.279 177.295 176.870 0.245 0.000 1.816 381 L CA 1.355 56.053 54.840 -0.236 0.000 1.701 381 L CB -1.076 40.849 42.059 -0.222 0.000 2.696 381 L HN 0.762 nan 8.230 nan 0.000 1.037 382 D N -0.007 120.654 120.400 0.435 0.000 2.587 382 D HA 0.104 4.744 4.640 0.000 0.000 0.233 382 D C 0.864 177.204 176.300 0.067 0.000 1.213 382 D CA -0.003 54.200 54.000 0.337 0.000 0.827 382 D CB -0.199 40.890 40.800 0.482 0.000 1.006 382 D HN 0.312 nan 8.370 nan 0.000 0.490 383 N N 0.644 119.284 118.700 -0.099 0.000 2.309 383 N HA -0.073 4.667 4.740 0.000 0.000 0.182 383 N C 1.712 176.559 175.510 -1.105 0.000 1.018 383 N CA 0.394 53.051 53.050 -0.655 0.000 0.876 383 N CB 0.158 38.422 38.487 -0.371 0.000 0.972 383 N HN 0.159 nan 8.380 nan 0.000 0.434 384 R N 0.638 120.768 120.500 -0.617 0.000 2.193 384 R HA -0.016 4.324 4.340 0.000 0.000 0.229 384 R C 1.954 177.961 176.300 -0.489 0.000 1.110 384 R CA 0.781 56.536 56.100 -0.575 0.000 0.988 384 R CB -0.727 29.381 30.300 -0.321 0.000 0.871 384 R HN 0.382 nan 8.270 nan 0.000 0.458 385 S N 0.460 115.918 115.700 -0.404 0.000 2.481 385 S HA -0.094 4.376 4.470 0.000 0.000 0.231 385 S C 1.327 175.869 174.600 -0.095 0.000 0.996 385 S CA 0.584 58.682 58.200 -0.169 0.000 0.942 385 S CB -0.295 62.907 63.200 0.004 0.000 0.768 385 S HN 0.437 nan 8.310 nan 0.000 0.520 386 F N -1.128 118.741 119.950 -0.136 0.000 2.683 386 F HA 0.629 5.156 4.527 0.000 0.000 0.306 386 F C 1.178 176.915 175.800 -0.105 0.000 1.102 386 F CA -1.033 56.908 58.000 -0.097 0.000 1.244 386 F CB -0.486 38.466 39.000 -0.079 0.000 1.029 386 F HN -0.065 nan 8.300 nan 0.000 0.545 387 V N 1.069 120.794 119.914 -0.316 0.000 2.261 387 V HA -0.263 3.857 4.120 0.000 0.000 0.246 387 V C 2.238 178.382 176.094 0.084 0.000 1.047 387 V CA 2.575 64.762 62.300 -0.188 0.000 1.015 387 V CB -0.351 31.221 31.823 -0.419 0.000 0.642 387 V HN 0.281 nan 8.190 nan 0.000 0.446 388 E N -0.367 119.842 120.200 0.015 0.000 2.046 388 E HA -0.216 4.134 4.350 0.000 0.000 0.190 388 E C 2.201 178.835 176.600 0.056 0.000 0.982 388 E CA 1.270 57.697 56.400 0.045 0.000 0.800 388 E CB -0.348 29.354 29.700 0.004 0.000 0.756 388 E HN 0.614 nan 8.360 nan 0.000 0.449 389 Q N 0.095 119.915 119.800 0.033 0.000 2.084 389 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 389 Q C 1.497 177.533 176.000 0.060 0.000 0.978 389 Q CA 1.049 56.854 55.803 0.004 0.000 0.844 389 Q CB 0.037 28.723 28.738 -0.087 0.000 0.898 389 Q HN 0.286 nan 8.270 nan 0.000 0.426 390 L N 0.112 121.441 121.223 0.177 0.000 2.611 390 L HA 0.121 4.461 4.340 0.000 0.000 0.229 390 L C 0.054 177.031 176.870 0.178 0.000 1.137 390 L CA 0.212 55.170 54.840 0.196 0.000 0.901 390 L CB 0.139 42.407 42.059 0.349 0.000 1.098 390 L HN 0.201 nan 8.230 nan 0.000 0.456 391 K N -0.788 119.728 120.400 0.193 0.000 3.251 391 K HA -0.179 4.141 4.320 0.000 0.000 0.282 391 K C -0.231 176.487 176.600 0.197 0.000 1.201 391 K CA 0.332 56.723 56.287 0.174 0.000 0.827 391 K CB -2.006 30.572 32.500 0.129 0.000 1.286 391 K HN 0.098 nan 8.250 nan 0.000 0.503 392 F N 0.845 120.861 119.950 0.110 0.000 2.410 392 F HA 0.399 4.926 4.527 0.000 0.000 0.334 392 F C 1.570 177.415 175.800 0.074 0.000 1.134 392 F CA 0.433 58.489 58.000 0.093 0.000 1.227 392 F CB 1.073 40.138 39.000 0.108 0.000 1.194 392 F HN 0.080 nan 8.300 nan 0.000 0.571 393 G N 0.548 109.381 108.800 0.055 0.000 2.524 393 G HA2 0.597 4.557 3.960 0.000 0.000 0.310 393 G HA3 0.597 4.557 3.960 0.000 0.000 0.310 393 G C -1.324 173.378 174.900 -0.330 0.000 1.279 393 G CA -0.932 44.116 45.100 -0.087 0.000 0.974 393 G HN 0.882 nan 8.290 nan 0.000 0.484 394 A N 0.380 123.014 122.820 -0.310 0.000 2.531 394 A HA 0.605 4.925 4.320 0.000 0.000 0.236 394 A C 1.111 178.476 177.584 -0.365 0.000 1.062 394 A CA 0.716 52.299 52.037 -0.757 0.000 0.760 394 A CB 0.163 18.789 19.000 -0.623 0.000 0.995 394 A HN 1.356 nan 8.150 nan 0.000 0.501 395 G N 0.666 109.291 108.800 -0.291 0.000 2.568 395 G HA2 0.502 4.462 3.960 0.000 0.000 0.293 395 G HA3 0.502 4.462 3.960 0.000 0.000 0.293 395 G C -0.733 174.096 174.900 -0.119 0.000 1.347 395 G CA -0.590 44.483 45.100 -0.044 0.000 1.039 395 G HN 0.690 nan 8.290 nan 0.000 0.523 396 D N -0.172 120.162 120.400 -0.111 0.000 2.341 396 D HA 0.469 5.109 4.640 0.000 0.000 0.245 396 D C 1.119 177.381 176.300 -0.064 0.000 1.106 396 D CA 1.245 55.183 54.000 -0.103 0.000 0.905 396 D CB 0.989 41.720 40.800 -0.115 0.000 1.202 396 D HN 0.866 nan 8.370 nan 0.000 0.426 397 G N 1.173 109.927 108.800 -0.076 0.000 2.601 397 G HA2 -0.169 3.791 3.960 0.000 0.000 0.252 397 G HA3 -0.169 3.791 3.960 0.000 0.000 0.252 397 G C -0.897 173.861 174.900 -0.238 0.000 1.294 397 G CA -0.166 44.952 45.100 0.029 0.000 0.912 397 G HN 0.769 nan 8.290 nan 0.000 0.574 398 H N -2.239 116.981 119.070 0.249 0.000 3.094 398 H HA 0.553 5.109 4.556 0.000 0.000 0.346 398 H C -0.778 174.423 175.328 -0.212 0.000 1.238 398 H CA -0.693 55.297 56.048 -0.097 0.000 1.209 398 H CB 1.493 31.218 29.762 -0.062 0.000 1.911 398 H HN 0.646 nan 8.280 nan 0.000 0.540 399 L N 2.273 123.222 121.223 -0.457 0.000 2.265 399 L HA 0.502 4.842 4.340 0.000 0.000 0.288 399 L C -0.473 176.311 176.870 -0.144 0.000 1.058 399 L CA -0.187 54.506 54.840 -0.244 0.000 0.809 399 L CB 0.319 42.196 42.059 -0.304 0.000 1.179 399 L HN 0.517 nan 8.230 nan 0.000 0.429 400 R N 3.816 124.218 120.500 -0.162 0.000 2.460 400 R HA 0.457 4.797 4.340 0.000 0.000 0.303 400 R C -1.426 174.508 176.300 -0.609 0.000 0.968 400 R CA -0.269 55.621 56.100 -0.350 0.000 0.889 400 R CB 1.047 31.127 30.300 -0.367 0.000 1.123 400 R HN 0.412 nan 8.270 nan 0.000 0.455 401 Y N 2.557 122.328 120.300 -0.882 0.000 2.320 401 Y HA 0.360 4.910 4.550 -0.000 0.000 0.334 401 Y C -0.516 174.502 175.900 -1.470 0.000 1.055 401 Y CA 0.004 57.462 58.100 -1.071 0.000 1.143 401 Y CB 0.967 38.679 38.460 -1.246 0.000 1.193 401 Y HN 0.465 nan 8.280 nan 0.000 0.477 402 Y N 2.410 122.254 120.300 -0.760 0.000 2.512 402 Y HA 0.563 5.113 4.550 -0.000 0.000 0.348 402 Y C -1.064 174.516 175.900 -0.533 0.000 0.990 402 Y CA -1.362 56.302 58.100 -0.726 0.000 1.033 402 Y CB 1.365 39.001 38.460 -1.374 0.000 1.259 402 Y HN 0.339 nan 8.280 nan 0.000 0.461 403 F N 0.927 121.013 119.950 0.227 0.000 2.470 403 F HA 0.390 4.917 4.527 0.000 0.000 0.329 403 F C -0.654 175.392 175.800 0.409 0.000 1.072 403 F CA -1.620 56.532 58.000 0.253 0.000 0.989 403 F CB 0.991 40.133 39.000 0.237 0.000 1.193 403 F HN 0.377 nan 8.300 nan 0.000 0.481 404 Y N 2.477 123.155 120.300 0.629 0.000 2.335 404 Y HA 0.296 4.846 4.550 0.000 0.000 0.339 404 Y C 0.596 176.721 175.900 0.376 0.000 0.987 404 Y CA -0.824 57.580 58.100 0.508 0.000 1.140 404 Y CB 0.615 39.339 38.460 0.441 0.000 1.173 404 Y HN 0.732 nan 8.280 nan 0.000 0.486 405 N N 4.235 122.912 118.700 -0.039 0.000 2.758 405 N HA -0.245 4.495 4.740 0.000 0.000 0.248 405 N C -1.854 173.842 175.510 0.310 0.000 1.076 405 N CA 1.171 54.257 53.050 0.061 0.000 0.696 405 N CB -1.150 37.411 38.487 0.123 0.000 0.979 405 N HN 0.791 nan 8.380 nan 0.000 0.550 406 W N 0.294 121.602 121.300 0.013 0.000 2.934 406 W HA 0.627 5.287 4.660 0.000 0.000 0.333 406 W C -0.679 175.879 176.519 0.064 0.000 1.035 406 W CA -0.466 56.847 57.345 -0.053 0.000 1.256 406 W CB 1.082 30.383 29.460 -0.265 0.000 1.306 406 W HN 0.257 nan 8.180 nan 0.000 0.430 407 A N 4.814 127.502 122.820 -0.219 0.000 2.450 407 A HA 0.411 4.732 4.320 0.000 0.000 0.255 407 A C -1.987 175.528 177.584 -0.114 0.000 1.096 407 A CA 0.436 52.394 52.037 -0.131 0.000 0.778 407 A CB 0.509 19.395 19.000 -0.191 0.000 1.031 407 A HN 0.601 nan 8.150 nan 0.000 0.494 408 Y N 2.956 123.237 120.300 -0.031 0.000 2.442 408 Y HA 0.471 5.021 4.550 -0.000 0.000 0.330 408 Y C -2.632 173.301 175.900 0.056 0.000 1.100 408 Y CA -1.998 56.119 58.100 0.028 0.000 1.034 408 Y CB 2.265 40.873 38.460 0.248 0.000 1.285 408 Y HN 0.536 nan 8.280 nan 0.000 0.440 409 P HA 0.050 nan 4.420 nan 0.000 0.269 409 P C -0.902 176.460 177.300 0.102 0.000 1.209 409 P CA -0.191 62.817 63.100 -0.154 0.000 0.776 409 P CB 0.618 32.121 31.700 -0.328 0.000 0.876 410 K N 2.901 123.407 120.400 0.176 0.000 2.491 410 K HA 0.059 4.379 4.320 0.000 0.000 0.279 410 K C 0.557 177.317 176.600 0.267 0.000 1.026 410 K CA 0.570 56.984 56.287 0.212 0.000 1.070 410 K CB -0.338 32.229 32.500 0.111 0.000 0.887 410 K HN 0.499 nan 8.250 nan 0.000 0.481 411 I N -0.756 119.980 120.570 0.277 0.000 2.846 411 I HA 0.420 4.590 4.170 0.000 0.000 0.307 411 I C -0.140 176.024 176.117 0.079 0.000 1.053 411 I CA -1.286 60.151 61.300 0.229 0.000 1.050 411 I CB 1.680 39.898 38.000 0.363 0.000 1.239 411 I HN 0.198 nan 8.210 nan 0.000 0.439 412 K N 3.036 123.448 120.400 0.021 0.000 2.258 412 K HA 0.241 4.561 4.320 0.000 0.000 0.264 412 K C -1.668 174.925 176.600 -0.012 0.000 1.007 412 K CA -1.223 55.056 56.287 -0.014 0.000 0.941 412 K CB 0.561 33.044 32.500 -0.028 0.000 0.966 412 K HN 0.481 nan 8.250 nan 0.000 0.480 413 P HA -0.147 nan 4.420 nan 0.000 0.222 413 P C 0.612 177.887 177.300 -0.041 0.000 1.147 413 P CA 1.155 64.204 63.100 -0.086 0.000 0.790 413 P CB 0.115 31.777 31.700 -0.063 0.000 0.780 414 S N -1.338 114.372 115.700 0.017 0.000 2.607 414 S HA 0.011 4.481 4.470 0.000 0.000 0.224 414 S C 1.540 176.273 174.600 0.223 0.000 0.969 414 S CA 0.272 58.532 58.200 0.101 0.000 0.927 414 S CB -0.621 62.621 63.200 0.070 0.000 0.772 414 S HN 0.099 nan 8.310 nan 0.000 0.533 415 Q N 0.814 120.711 119.800 0.161 0.000 2.247 415 Q HA 0.338 4.678 4.340 0.000 0.000 0.204 415 Q C -0.456 175.671 176.000 0.212 0.000 0.872 415 Q CA 0.067 56.018 55.803 0.245 0.000 0.951 415 Q CB 0.887 29.728 28.738 0.170 0.000 1.099 415 Q HN 0.419 nan 8.270 nan 0.000 0.501 416 V N 0.921 120.847 119.914 0.021 0.000 2.398 416 V HA 0.479 4.599 4.120 0.000 0.000 0.286 416 V C 0.417 176.308 176.094 -0.338 0.000 1.026 416 V CA -0.138 62.044 62.300 -0.197 0.000 0.868 416 V CB 1.493 33.013 31.823 -0.505 0.000 0.982 416 V HN 0.137 nan 8.190 nan 0.000 0.443 417 A N 4.880 127.501 122.820 -0.332 0.000 2.571 417 A HA 0.479 4.799 4.320 0.000 0.000 0.274 417 A C -0.096 177.414 177.584 -0.125 0.000 1.196 417 A CA -0.082 51.673 52.037 -0.469 0.000 0.957 417 A CB 0.112 18.716 19.000 -0.661 0.000 1.150 417 A HN 0.630 nan 8.150 nan 0.000 0.539 418 L N 1.296 122.491 121.223 -0.048 0.000 2.265 418 L HA 0.532 4.872 4.340 0.000 0.000 0.289 418 L C -0.692 176.291 176.870 0.188 0.000 1.033 418 L CA -0.284 54.637 54.840 0.134 0.000 0.814 418 L CB 1.373 43.529 42.059 0.162 0.000 1.203 418 L HN -0.004 nan 8.230 nan 0.000 0.423 419 V N 6.475 126.478 119.914 0.147 0.000 2.432 419 V HA 0.402 4.522 4.120 0.000 0.000 0.275 419 V C 0.348 176.542 176.094 0.167 0.000 1.043 419 V CA -0.458 61.898 62.300 0.094 0.000 0.925 419 V CB 1.268 32.993 31.823 -0.162 0.000 0.985 419 V HN 0.675 nan 8.190 nan 0.000 0.466 420 M N 5.853 125.549 119.600 0.161 0.000 2.205 420 M HA 0.480 4.960 4.480 0.000 0.000 0.344 420 M C -0.302 176.037 176.300 0.066 0.000 1.085 420 M CA -0.245 55.098 55.300 0.072 0.000 1.001 420 M CB 1.429 34.019 32.600 -0.017 0.000 1.626 420 M HN 0.428 nan 8.290 nan 0.000 0.442 421 L N 0.000 121.211 121.223 -0.021 0.000 2.949 421 L HA 0.000 4.340 4.340 0.000 0.000 0.249 421 L CA 0.000 54.815 54.840 -0.042 0.000 0.813 421 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 421 L HN 0.000 nan 8.230 nan 0.000 0.502