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 2pom_1_A DATA FIRST_RESID 16 DATA SEQUENCE SWTDDLPLCH LSGVGSASNR SYSADGKGTE SHPPEDSWLK FRSENNCFLY DATA SEQUENCE GVFNGYDGNR VTNFVAQRLS AELLLGQLNA EHAEADVRRV LLQAFDVVER DATA SEQUENCE SFLESIDDAL AEKASLQSQL PEGVPQHQLP PQYQKILERL KTLEREISGG DATA SEQUENCE AMAVVAVLLN NKLYVANVGT NRALLCKSTV DGLQVTQLNV DHTTENEDEL DATA SEQUENCE FRLSQLGLDA GKIKQVGIIC GQESTRRIGD YKVKYGYTDI DLLSAAKSKP DATA SEQUENCE IIAEPEIHGA QPLDGVTGFL VLMSEGLYKA LEAAHGPGQA NQEIAAMIDT DATA SEQUENCE EFAKQTSLDA VAQAVVDRVK RIHSDTFASG GERARFCPRH EDMTLLVRNF DATA SEQUENCE GYPLG 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.557 174.600 -0.072 0.000 1.055 16 S CA 0.000 58.164 58.200 -0.059 0.000 1.107 16 S CB 0.000 63.181 63.200 -0.033 0.000 0.593 17 W N 2.239 123.499 121.300 -0.067 0.000 2.611 17 W HA 0.042 4.702 4.660 -0.000 0.000 0.251 17 W C 1.069 177.526 176.519 -0.104 0.000 1.265 17 W CA 1.132 58.431 57.345 -0.078 0.000 1.295 17 W CB -1.861 27.544 29.460 -0.091 0.000 1.129 17 W HN 0.517 nan 8.180 nan 0.000 0.630 18 T N -1.615 112.316 114.554 -1.039 0.000 3.035 18 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 18 T C 1.042 175.478 174.700 -0.439 0.000 1.109 18 T CA 1.294 62.757 62.100 -1.062 0.000 1.119 18 T CB -0.540 67.831 68.868 -0.828 0.000 0.900 18 T HN 0.005 nan 8.240 nan 0.000 0.503 19 D N 2.007 122.269 120.400 -0.229 0.000 2.378 19 D HA 0.003 4.643 4.640 -0.001 0.000 0.227 19 D C 0.417 176.687 176.300 -0.051 0.000 1.012 19 D CA 0.725 54.679 54.000 -0.076 0.000 0.905 19 D CB -0.012 40.760 40.800 -0.046 0.000 0.895 19 D HN 0.627 nan 8.370 nan 0.000 0.532 20 D N -0.506 119.837 120.400 -0.095 0.000 2.433 20 D HA 0.119 4.759 4.640 -0.001 0.000 0.211 20 D C 0.518 176.775 176.300 -0.071 0.000 1.114 20 D CA -0.146 53.829 54.000 -0.042 0.000 0.837 20 D CB 0.731 41.533 40.800 0.004 0.000 0.984 20 D HN 0.073 nan 8.370 nan 0.000 0.505 21 L N 1.857 122.968 121.223 -0.188 0.000 2.380 21 L HA 0.305 4.645 4.340 -0.001 0.000 0.273 21 L C -2.009 174.839 176.870 -0.038 0.000 1.138 21 L CA -1.831 52.854 54.840 -0.258 0.000 0.832 21 L CB 0.500 42.061 42.059 -0.829 0.000 1.124 21 L HN -0.245 nan 8.230 nan 0.000 0.454 22 P HA 0.059 nan 4.420 nan 0.000 0.267 22 P C -0.629 176.812 177.300 0.236 0.000 1.209 22 P CA -0.378 62.784 63.100 0.104 0.000 0.763 22 P CB 0.455 32.197 31.700 0.071 0.000 0.816 23 L N 4.416 125.787 121.223 0.247 0.000 2.395 23 L HA 0.202 4.542 4.340 -0.001 0.000 0.269 23 L C 0.282 177.332 176.870 0.299 0.000 1.133 23 L CA -0.592 54.417 54.840 0.283 0.000 0.812 23 L CB 0.584 42.768 42.059 0.208 0.000 1.125 23 L HN 0.484 nan 8.230 nan 0.000 0.452 24 C N 4.177 123.664 119.300 0.312 0.000 2.514 24 C HA 0.233 4.693 4.460 -0.001 0.000 0.392 24 C C 1.811 176.938 174.990 0.228 0.000 1.294 24 C CA -0.488 58.744 59.018 0.357 0.000 1.957 24 C CB -0.574 27.426 27.740 0.433 0.000 2.541 24 C HN 0.929 nan 8.230 nan 0.000 0.569 25 H N 4.421 123.596 119.070 0.175 0.000 2.548 25 H HA 0.112 4.668 4.556 -0.001 0.000 0.265 25 H C 0.768 176.120 175.328 0.039 0.000 0.969 25 H CA 0.418 56.522 56.048 0.094 0.000 1.155 25 H CB -0.277 29.541 29.762 0.093 0.000 1.394 25 H HN 0.731 nan 8.280 nan 0.000 0.570 26 L N 1.882 122.870 121.223 -0.391 0.000 2.791 26 L HA 0.213 4.552 4.340 -0.001 0.000 0.239 26 L C 0.090 176.795 176.870 -0.275 0.000 1.203 26 L CA -0.261 54.378 54.840 -0.335 0.000 1.002 26 L CB 0.162 41.938 42.059 -0.472 0.000 1.295 26 L HN 0.195 nan 8.230 nan 0.000 0.504 27 S N -1.480 114.111 115.700 -0.180 0.000 2.618 27 S HA 0.892 5.362 4.470 -0.001 0.000 0.277 27 S C -0.435 174.069 174.600 -0.161 0.000 1.138 27 S CA -0.523 57.550 58.200 -0.213 0.000 0.844 27 S CB 2.487 65.560 63.200 -0.212 0.000 1.127 27 S HN 0.041 nan 8.310 nan 0.000 0.474 28 G N -0.235 108.435 108.800 -0.217 0.000 2.660 28 G HA2 0.665 4.625 3.960 -0.001 0.000 0.294 28 G HA3 0.665 4.625 3.960 -0.001 0.000 0.294 28 G C -1.786 172.937 174.900 -0.294 0.000 1.369 28 G CA -0.840 44.125 45.100 -0.225 0.000 0.912 28 G HN 1.004 nan 8.290 nan 0.000 0.479 29 V N -0.235 119.467 119.914 -0.354 0.000 2.709 29 V HA 0.895 5.014 4.120 -0.001 0.000 0.308 29 V C 0.431 176.236 176.094 -0.481 0.000 1.062 29 V CA -0.305 61.668 62.300 -0.545 0.000 0.901 29 V CB 1.951 33.161 31.823 -1.022 0.000 1.003 29 V HN 1.195 nan 8.190 nan 0.000 0.425 30 G N 1.883 110.416 108.800 -0.445 0.000 2.524 30 G HA2 0.835 4.794 3.960 -0.001 0.000 0.310 30 G HA3 0.835 4.794 3.960 -0.001 0.000 0.310 30 G C -0.741 173.968 174.900 -0.318 0.000 1.279 30 G CA -0.109 44.799 45.100 -0.319 0.000 0.974 30 G HN 1.107 nan 8.290 nan 0.000 0.484 31 S N -0.895 114.679 115.700 -0.210 0.000 2.643 31 S HA 0.936 5.405 4.470 -0.001 0.000 0.270 31 S C -0.726 173.855 174.600 -0.031 0.000 1.166 31 S CA -0.233 57.898 58.200 -0.114 0.000 0.815 31 S CB 1.673 64.830 63.200 -0.071 0.000 1.139 31 S HN 2.417 nan 8.310 nan 0.000 0.472 32 A N 0.575 123.403 122.820 0.013 0.000 2.599 32 A HA 0.790 5.109 4.320 -0.001 0.000 0.294 32 A C -0.487 177.126 177.584 0.048 0.000 1.055 32 A CA -0.680 51.376 52.037 0.031 0.000 0.683 32 A CB 1.032 20.044 19.000 0.021 0.000 1.278 32 A HN 0.994 nan 8.150 nan 0.000 0.412 33 S N 0.651 116.366 115.700 0.026 0.000 2.617 33 S HA 0.398 4.867 4.470 -0.001 0.000 0.269 33 S C 0.614 175.149 174.600 -0.109 0.000 1.292 33 S CA -0.116 58.062 58.200 -0.037 0.000 1.010 33 S CB 0.442 63.596 63.200 -0.077 0.000 0.944 33 S HN 0.982 nan 8.310 nan 0.000 0.536 34 N N 1.151 119.703 118.700 -0.247 0.000 2.305 34 N HA 0.155 4.895 4.740 -0.001 0.000 0.232 34 N C -0.513 174.647 175.510 -0.584 0.000 1.274 34 N CA 0.096 52.887 53.050 -0.431 0.000 0.870 34 N CB 0.356 38.510 38.487 -0.556 0.000 1.105 34 N HN 0.501 nan 8.380 nan 0.000 0.436 35 R N -0.396 119.579 120.500 -0.876 0.000 2.604 35 R HA 0.423 4.763 4.340 -0.001 0.000 0.270 35 R C -1.512 174.311 176.300 -0.795 0.000 1.052 35 R CA -0.960 54.695 56.100 -0.743 0.000 0.902 35 R CB 2.027 31.899 30.300 -0.713 0.000 1.233 35 R HN 0.872 nan 8.270 nan 0.000 0.455 36 S N 1.260 116.616 115.700 -0.574 0.000 2.502 36 S HA 0.515 4.985 4.470 -0.001 0.000 0.304 36 S C -0.745 173.577 174.600 -0.463 0.000 1.097 36 S CA -0.877 56.999 58.200 -0.540 0.000 1.045 36 S CB 0.780 63.816 63.200 -0.273 0.000 1.019 36 S HN 0.469 nan 8.310 nan 0.000 0.481 37 Y N 1.845 121.984 120.300 -0.268 0.000 2.299 37 Y HA 0.424 4.974 4.550 -0.000 0.000 0.326 37 Y C 1.377 177.218 175.900 -0.098 0.000 1.164 37 Y CA -0.747 57.217 58.100 -0.225 0.000 1.234 37 Y CB 0.944 39.114 38.460 -0.484 0.000 1.219 37 Y HN 0.841 nan 8.280 nan 0.000 0.497 38 S N 1.290 117.096 115.700 0.177 0.000 2.564 38 S HA 0.367 4.837 4.470 -0.001 0.000 0.278 38 S C 1.035 175.766 174.600 0.218 0.000 1.333 38 S CA -0.435 57.849 58.200 0.141 0.000 1.048 38 S CB 1.482 64.746 63.200 0.108 0.000 0.900 38 S HN 0.915 nan 8.310 nan 0.000 0.505 39 A N 2.245 125.173 122.820 0.180 0.000 1.852 39 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 39 A C 1.027 178.705 177.584 0.156 0.000 1.215 39 A CA 1.889 54.042 52.037 0.194 0.000 0.641 39 A CB -0.880 18.189 19.000 0.116 0.000 0.838 39 A HN 0.941 nan 8.150 nan 0.000 0.450 40 D N -1.735 118.725 120.400 0.099 0.000 2.192 40 D HA 0.463 5.103 4.640 -0.001 0.000 0.246 40 D C 0.196 176.537 176.300 0.068 0.000 1.042 40 D CA 0.965 55.004 54.000 0.065 0.000 0.847 40 D CB 1.401 42.223 40.800 0.037 0.000 1.186 40 D HN 1.082 nan 8.370 nan 0.000 0.461 41 G N 2.689 111.522 108.800 0.056 0.000 2.756 41 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.678 41 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.678 41 G C -0.858 174.087 174.900 0.075 0.000 1.349 41 G CA -0.728 44.404 45.100 0.052 0.000 0.847 41 G HN 0.589 nan 8.290 nan 0.000 0.548 42 K N 0.026 120.463 120.400 0.061 0.000 2.138 42 K HA 0.694 5.014 4.320 -0.001 0.000 0.263 42 K C 0.308 176.952 176.600 0.074 0.000 0.965 42 K CA 0.084 56.413 56.287 0.070 0.000 0.868 42 K CB 1.774 34.302 32.500 0.047 0.000 1.083 42 K HN 1.908 nan 8.250 nan 0.000 0.443 43 G N 1.017 109.875 108.800 0.097 0.000 2.282 43 G HA2 0.123 4.082 3.960 -0.001 0.000 0.274 43 G HA3 0.123 4.082 3.960 -0.001 0.000 0.274 43 G C -0.882 174.079 174.900 0.102 0.000 1.718 43 G CA -0.872 44.275 45.100 0.079 0.000 0.927 43 G HN 0.537 nan 8.290 nan 0.000 0.733 44 T N -1.122 113.475 114.554 0.070 0.000 2.916 44 T HA 0.873 5.223 4.350 -0.001 0.000 0.292 44 T C -0.545 174.139 174.700 -0.026 0.000 1.064 44 T CA -0.843 61.276 62.100 0.032 0.000 1.011 44 T CB 2.992 71.880 68.868 0.034 0.000 1.152 44 T HN 0.561 nan 8.240 nan 0.000 0.510 45 E N 0.173 120.322 120.200 -0.084 0.000 2.317 45 E HA 0.667 5.017 4.350 -0.001 0.000 0.270 45 E C -1.214 175.300 176.600 -0.142 0.000 0.885 45 E CA -1.009 55.343 56.400 -0.081 0.000 0.760 45 E CB 2.432 32.098 29.700 -0.058 0.000 1.227 45 E HN 0.638 nan 8.360 nan 0.000 0.434 46 S N 0.567 116.194 115.700 -0.122 0.000 2.569 46 S HA 0.420 4.889 4.470 -0.001 0.000 0.280 46 S C -1.217 173.319 174.600 -0.107 0.000 1.111 46 S CA -0.937 57.145 58.200 -0.196 0.000 0.887 46 S CB 0.950 64.034 63.200 -0.192 0.000 1.095 46 S HN 0.610 nan 8.310 nan 0.000 0.476 47 H N -0.819 118.217 119.070 -0.057 0.000 2.595 47 H HA 0.737 5.293 4.556 -0.001 0.000 0.346 47 H C -3.243 172.072 175.328 -0.022 0.000 1.181 47 H CA -2.630 53.399 56.048 -0.033 0.000 1.242 47 H CB -0.840 28.905 29.762 -0.029 0.000 1.652 47 H HN 0.188 nan 8.280 nan 0.000 0.548 48 P HA 0.037 nan 4.420 nan 0.000 0.264 48 P C -2.432 175.003 177.300 0.225 0.000 1.183 48 P CA -0.664 62.529 63.100 0.156 0.000 0.763 48 P CB -0.026 31.736 31.700 0.104 0.000 0.807 49 P HA 0.067 nan 4.420 nan 0.000 0.271 49 P C -0.328 177.049 177.300 0.128 0.000 1.218 49 P CA 0.280 63.443 63.100 0.105 0.000 0.780 49 P CB 0.958 32.696 31.700 0.063 0.000 0.901 50 E N -0.115 120.176 120.200 0.153 0.000 2.630 50 E HA 0.148 4.498 4.350 -0.001 0.000 0.218 50 E C -0.364 176.307 176.600 0.120 0.000 0.977 50 E CA -0.239 56.229 56.400 0.114 0.000 1.038 50 E CB 0.333 30.100 29.700 0.111 0.000 1.051 50 E HN 0.441 nan 8.360 nan 0.000 0.487 51 D N 0.486 120.973 120.400 0.146 0.000 2.387 51 D HA 0.445 5.085 4.640 -0.001 0.000 0.251 51 D C -0.286 176.125 176.300 0.185 0.000 1.141 51 D CA -0.051 54.066 54.000 0.196 0.000 0.987 51 D CB 1.600 42.537 40.800 0.228 0.000 1.116 51 D HN -0.122 nan 8.370 nan 0.000 0.491 52 S N -1.142 114.725 115.700 0.279 0.000 2.636 52 S HA 0.707 5.176 4.470 -0.001 0.000 0.268 52 S C -2.027 172.843 174.600 0.451 0.000 1.159 52 S CA -0.773 57.509 58.200 0.138 0.000 0.815 52 S CB 0.456 63.658 63.200 0.004 0.000 1.130 52 S HN 0.518 nan 8.310 nan 0.000 0.471 53 W N 1.464 122.920 121.300 0.260 0.000 2.895 53 W HA 0.767 5.426 4.660 -0.000 0.000 0.377 53 W C -2.259 174.337 176.519 0.128 0.000 1.191 53 W CA -1.057 56.395 57.345 0.178 0.000 1.179 53 W CB 0.044 29.520 29.460 0.026 0.000 1.469 53 W HN 0.721 nan 8.180 nan 0.000 0.577 54 L N -0.165 121.257 121.223 0.333 0.000 2.556 54 L HA 0.774 5.114 4.340 -0.001 0.000 0.257 54 L C -1.271 175.586 176.870 -0.023 0.000 0.955 54 L CA -1.831 52.977 54.840 -0.052 0.000 0.850 54 L CB 2.109 44.082 42.059 -0.143 0.000 1.398 54 L HN 0.566 nan 8.230 nan 0.000 0.412 55 K N 1.922 122.135 120.400 -0.311 0.000 2.764 55 K HA 0.669 4.989 4.320 -0.001 0.000 0.239 55 K C -1.813 174.677 176.600 -0.183 0.000 1.048 55 K CA -0.400 55.873 56.287 -0.024 0.000 1.057 55 K CB 0.743 33.390 32.500 0.245 0.000 1.251 55 K HN 0.531 nan 8.250 nan 0.000 0.524 56 F N 1.863 121.801 119.950 -0.020 0.000 2.561 56 F HA 0.541 5.068 4.527 -0.000 0.000 0.321 56 F C 0.195 175.975 175.800 -0.033 0.000 1.065 56 F CA -1.302 56.692 58.000 -0.010 0.000 0.934 56 F CB 2.197 41.165 39.000 -0.053 0.000 1.215 56 F HN 0.336 nan 8.300 nan 0.000 0.471 57 R N 1.153 121.774 120.500 0.201 0.000 2.393 57 R HA 0.682 5.022 4.340 -0.001 0.000 0.315 57 R C -1.103 175.109 176.300 -0.146 0.000 0.952 57 R CA -0.557 55.471 56.100 -0.120 0.000 0.842 57 R CB 1.689 31.951 30.300 -0.064 0.000 1.163 57 R HN 0.568 nan 8.270 nan 0.000 0.450 58 S N 1.900 117.460 115.700 -0.234 0.000 2.552 58 S HA 0.056 4.525 4.470 -0.001 0.000 0.271 58 S C 0.735 175.245 174.600 -0.150 0.000 1.168 58 S CA -0.543 57.568 58.200 -0.148 0.000 1.026 58 S CB 0.596 63.727 63.200 -0.115 0.000 1.120 58 S HN 0.723 nan 8.310 nan 0.000 0.514 59 E N 1.563 121.703 120.200 -0.100 0.000 2.002 59 E HA -0.131 4.219 4.350 -0.001 0.000 0.205 59 E C 0.836 177.383 176.600 -0.090 0.000 1.020 59 E CA 1.464 57.819 56.400 -0.076 0.000 0.856 59 E CB -0.583 29.084 29.700 -0.055 0.000 0.788 59 E HN 0.485 nan 8.360 nan 0.000 0.477 60 N N 0.676 119.323 118.700 -0.088 0.000 2.251 60 N HA -0.032 4.708 4.740 -0.001 0.000 0.262 60 N C -0.066 175.369 175.510 -0.125 0.000 1.276 60 N CA 0.454 53.462 53.050 -0.070 0.000 0.897 60 N CB -0.054 38.406 38.487 -0.044 0.000 1.005 60 N HN 0.289 nan 8.380 nan 0.000 0.464 61 N N -0.098 118.574 118.700 -0.047 0.000 3.259 61 N HA 0.150 4.890 4.740 -0.001 0.000 0.308 61 N C -1.206 174.282 175.510 -0.038 0.000 1.334 61 N CA -0.321 52.731 53.050 0.003 0.000 1.202 61 N CB -0.010 38.590 38.487 0.188 0.000 1.485 61 N HN 0.180 nan 8.380 nan 0.000 0.549 62 C N 1.798 120.914 119.300 -0.307 0.000 2.298 62 C HA 0.605 5.065 4.460 -0.001 0.000 0.323 62 C C -1.062 173.672 174.990 -0.428 0.000 1.284 62 C CA -0.671 58.239 59.018 -0.181 0.000 1.577 62 C CB -0.929 26.746 27.740 -0.107 0.000 2.249 62 C HN 0.517 nan 8.230 nan 0.000 0.497 63 F N 5.382 125.362 119.950 0.050 0.000 2.551 63 F HA 0.718 5.244 4.527 -0.000 0.000 0.316 63 F C -0.279 175.397 175.800 -0.207 0.000 1.089 63 F CA -0.896 57.047 58.000 -0.094 0.000 0.915 63 F CB 1.689 40.657 39.000 -0.053 0.000 1.186 63 F HN 0.389 nan 8.300 nan 0.000 0.456 64 L N 3.830 124.925 121.223 -0.213 0.000 2.381 64 L HA 0.635 4.975 4.340 -0.001 0.000 0.274 64 L C -1.880 174.725 176.870 -0.441 0.000 0.988 64 L CA -0.763 53.980 54.840 -0.162 0.000 0.824 64 L CB 1.000 43.108 42.059 0.082 0.000 1.263 64 L HN 0.530 nan 8.230 nan 0.000 0.410 65 Y N 2.941 123.357 120.300 0.194 0.000 2.512 65 Y HA 0.870 5.419 4.550 -0.000 0.000 0.348 65 Y C 0.516 176.462 175.900 0.076 0.000 0.990 65 Y CA -0.739 57.426 58.100 0.110 0.000 1.033 65 Y CB 2.701 41.206 38.460 0.076 0.000 1.259 65 Y HN 0.717 nan 8.280 nan 0.000 0.461 66 G N 0.426 109.320 108.800 0.155 0.000 2.720 66 G HA2 0.584 4.544 3.960 -0.001 0.000 0.295 66 G HA3 0.584 4.544 3.960 -0.001 0.000 0.295 66 G C -2.387 172.305 174.900 -0.346 0.000 1.437 66 G CA -0.721 44.282 45.100 -0.161 0.000 0.886 66 G HN 0.455 nan 8.290 nan 0.000 0.509 67 V N 0.933 120.496 119.914 -0.585 0.000 2.577 67 V HA 0.682 4.801 4.120 -0.001 0.000 0.303 67 V C -1.168 174.595 176.094 -0.552 0.000 1.042 67 V CA -0.632 61.464 62.300 -0.341 0.000 0.872 67 V CB 1.333 33.108 31.823 -0.080 0.000 0.998 67 V HN 0.610 nan 8.190 nan 0.000 0.423 68 F N 2.736 122.788 119.950 0.170 0.000 2.532 68 F HA 0.594 5.121 4.527 -0.000 0.000 0.321 68 F C 0.104 175.979 175.800 0.125 0.000 1.089 68 F CA -0.751 57.330 58.000 0.136 0.000 0.926 68 F CB 1.887 40.942 39.000 0.092 0.000 1.168 68 F HN 0.462 nan 8.300 nan 0.000 0.459 69 N N 1.162 120.036 118.700 0.291 0.000 2.483 69 N HA 0.521 5.261 4.740 -0.001 0.000 0.267 69 N C -0.513 175.128 175.510 0.219 0.000 0.998 69 N CA -0.227 52.954 53.050 0.219 0.000 0.918 69 N CB 1.340 39.928 38.487 0.168 0.000 1.215 69 N HN 0.807 nan 8.380 nan 0.000 0.500 70 G N 1.397 110.298 108.800 0.167 0.000 2.488 70 G HA2 0.588 4.548 3.960 -0.001 0.000 0.318 70 G HA3 0.588 4.548 3.960 -0.001 0.000 0.318 70 G C -1.354 173.644 174.900 0.163 0.000 1.188 70 G CA -0.483 44.671 45.100 0.090 0.000 0.944 70 G HN 0.601 nan 8.290 nan 0.000 0.495 71 Y N -3.226 117.069 120.300 -0.009 0.000 2.597 71 Y HA 0.540 5.090 4.550 -0.001 0.000 0.340 71 Y C -0.404 175.467 175.900 -0.048 0.000 1.097 71 Y CA -1.441 56.639 58.100 -0.034 0.000 1.037 71 Y CB 1.449 39.893 38.460 -0.027 0.000 1.305 71 Y HN 0.551 nan 8.280 nan 0.000 0.463 72 D N 0.715 121.114 120.400 -0.002 0.000 2.746 72 D HA 0.132 4.771 4.640 -0.001 0.000 0.236 72 D C 0.274 176.516 176.300 -0.097 0.000 1.129 72 D CA 2.257 56.223 54.000 -0.056 0.000 0.691 72 D CB -1.187 39.577 40.800 -0.059 0.000 1.077 72 D HN 1.614 nan 8.370 nan 0.000 0.432 73 G N 0.152 108.896 108.800 -0.092 0.000 2.555 73 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.686 73 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.686 73 G C 0.197 175.057 174.900 -0.067 0.000 1.275 73 G CA -0.106 44.956 45.100 -0.063 0.000 0.871 73 G HN 0.443 nan 8.290 nan 0.000 0.603 74 N N -0.712 117.967 118.700 -0.036 0.000 2.204 74 N HA 0.054 4.794 4.740 -0.001 0.000 0.219 74 N C 1.494 176.980 175.510 -0.040 0.000 1.151 74 N CA -0.034 52.996 53.050 -0.034 0.000 0.867 74 N CB 0.241 38.725 38.487 -0.005 0.000 1.043 74 N HN 0.635 nan 8.380 nan 0.000 0.516 75 R N 0.107 120.588 120.500 -0.031 0.000 2.092 75 R HA 0.058 4.397 4.340 -0.001 0.000 0.231 75 R C 1.513 177.807 176.300 -0.009 0.000 1.119 75 R CA 1.140 57.246 56.100 0.010 0.000 0.970 75 R CB -0.109 30.221 30.300 0.049 0.000 0.864 75 R HN 0.049 nan 8.270 nan 0.000 0.440 76 V N 0.457 120.287 119.914 -0.140 0.000 2.453 76 V HA -0.194 3.926 4.120 -0.001 0.000 0.247 76 V C 2.157 178.149 176.094 -0.170 0.000 1.048 76 V CA 1.946 64.071 62.300 -0.292 0.000 1.049 76 V CB -0.485 31.010 31.823 -0.547 0.000 0.672 76 V HN 0.369 nan 8.190 nan 0.000 0.457 77 T N 0.587 115.058 114.554 -0.138 0.000 2.635 77 T HA -0.257 4.093 4.350 -0.001 0.000 0.267 77 T C 1.685 176.266 174.700 -0.199 0.000 1.040 77 T CA 2.368 64.392 62.100 -0.127 0.000 1.156 77 T CB -0.521 68.321 68.868 -0.044 0.000 0.863 77 T HN 0.616 nan 8.240 nan 0.000 0.430 78 N N -0.074 118.555 118.700 -0.119 0.000 2.244 78 N HA 0.012 4.752 4.740 -0.001 0.000 0.183 78 N C 1.637 177.090 175.510 -0.094 0.000 1.016 78 N CA 0.677 53.650 53.050 -0.128 0.000 0.866 78 N CB -0.224 38.220 38.487 -0.072 0.000 0.980 78 N HN 0.300 nan 8.380 nan 0.000 0.430 79 F N 1.693 121.555 119.950 -0.147 0.000 2.075 79 F HA -0.184 4.343 4.527 -0.001 0.000 0.297 79 F C 2.090 177.796 175.800 -0.157 0.000 1.113 79 F CA 1.067 59.015 58.000 -0.087 0.000 1.218 79 F CB -0.329 38.668 39.000 -0.005 0.000 0.984 79 F HN -0.225 nan 8.300 nan 0.000 0.472 80 V N 0.679 120.607 119.914 0.022 0.000 2.287 80 V HA -0.355 3.765 4.120 -0.001 0.000 0.248 80 V C 2.733 178.554 176.094 -0.456 0.000 1.053 80 V CA 1.910 64.097 62.300 -0.188 0.000 1.027 80 V CB -1.559 30.113 31.823 -0.251 0.000 0.646 80 V HN 0.519 nan 8.190 nan 0.000 0.447 81 A N -0.958 121.453 122.820 -0.681 0.000 1.883 81 A HA -0.320 3.999 4.320 -0.001 0.000 0.217 81 A C 2.152 179.578 177.584 -0.264 0.000 1.186 81 A CA 2.312 53.965 52.037 -0.641 0.000 0.624 81 A CB -0.561 18.098 19.000 -0.569 0.000 0.822 81 A HN 0.534 nan 8.150 nan 0.000 0.444 82 Q N -1.079 118.575 119.800 -0.244 0.000 2.079 82 Q HA -0.112 4.228 4.340 -0.001 0.000 0.200 82 Q C 2.263 178.218 176.000 -0.076 0.000 0.974 82 Q CA 1.884 57.599 55.803 -0.147 0.000 0.840 82 Q CB -0.163 28.480 28.738 -0.159 0.000 0.898 82 Q HN 0.524 nan 8.270 nan 0.000 0.430 83 R N -0.632 119.724 120.500 -0.240 0.000 2.093 83 R HA -0.000 4.340 4.340 -0.001 0.000 0.224 83 R C 1.736 177.986 176.300 -0.083 0.000 1.101 83 R CA 0.711 56.688 56.100 -0.204 0.000 0.979 83 R CB -0.719 29.340 30.300 -0.402 0.000 0.877 83 R HN 0.294 nan 8.270 nan 0.000 0.441 84 L N 0.304 121.459 121.223 -0.113 0.000 2.083 84 L HA -0.055 4.285 4.340 -0.001 0.000 0.209 84 L C 1.928 178.822 176.870 0.039 0.000 1.083 84 L CA 1.744 56.532 54.840 -0.087 0.000 0.752 84 L CB -0.805 41.173 42.059 -0.135 0.000 0.899 84 L HN 0.150 nan 8.230 nan 0.000 0.433 85 S N -0.679 115.075 115.700 0.091 0.000 2.368 85 S HA -0.148 4.322 4.470 -0.001 0.000 0.225 85 S C 2.087 176.882 174.600 0.325 0.000 1.030 85 S CA 1.079 59.382 58.200 0.172 0.000 0.999 85 S CB -0.433 62.792 63.200 0.042 0.000 0.844 85 S HN 0.590 nan 8.310 nan 0.000 0.459 86 A N 1.424 124.472 122.820 0.381 0.000 1.972 86 A HA -0.074 4.246 4.320 -0.001 0.000 0.219 86 A C 1.866 179.471 177.584 0.035 0.000 1.169 86 A CA 1.131 53.285 52.037 0.195 0.000 0.635 86 A CB -0.269 18.742 19.000 0.019 0.000 0.810 86 A HN 0.300 nan 8.150 nan 0.000 0.446 87 E N -0.820 119.405 120.200 0.041 0.000 2.478 87 E HA 0.149 4.499 4.350 -0.001 0.000 0.194 87 E C 1.284 177.911 176.600 0.045 0.000 1.045 87 E CA 0.430 56.843 56.400 0.021 0.000 0.868 87 E CB 0.198 29.906 29.700 0.013 0.000 0.885 87 E HN 0.697 nan 8.360 nan 0.000 0.505 88 L N -1.199 120.066 121.223 0.071 0.000 2.854 88 L HA 0.199 4.539 4.340 -0.001 0.000 0.249 88 L C 1.444 178.354 176.870 0.067 0.000 1.091 88 L CA 0.159 55.044 54.840 0.075 0.000 0.935 88 L CB 0.434 42.552 42.059 0.097 0.000 1.367 88 L HN -0.044 nan 8.230 nan 0.000 0.524 89 L N 0.461 121.740 121.223 0.092 0.000 2.741 89 L HA 0.179 4.519 4.340 -0.001 0.000 0.237 89 L C 0.443 177.354 176.870 0.069 0.000 1.178 89 L CA -0.005 54.877 54.840 0.071 0.000 0.973 89 L CB 0.652 42.743 42.059 0.053 0.000 1.255 89 L HN 0.157 nan 8.230 nan 0.000 0.498 90 L N 0.023 121.265 121.223 0.032 0.000 3.141 90 L HA 0.460 4.800 4.340 -0.001 0.000 0.267 90 L C 1.068 177.914 176.870 -0.040 0.000 1.281 90 L CA 0.379 55.200 54.840 -0.032 0.000 1.037 90 L CB 0.221 42.206 42.059 -0.124 0.000 1.407 90 L HN 0.255 nan 8.230 nan 0.000 0.566 91 G N -1.188 107.597 108.800 -0.025 0.000 2.339 91 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.209 91 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.209 91 G C 1.000 175.888 174.900 -0.020 0.000 1.015 91 G CA 0.279 45.361 45.100 -0.030 0.000 0.635 91 G HN 0.328 nan 8.290 nan 0.000 0.499 92 Q N -0.188 119.615 119.800 0.005 0.000 2.248 92 Q HA 0.158 4.498 4.340 -0.001 0.000 0.208 92 Q C 0.975 177.010 176.000 0.058 0.000 0.984 92 Q CA 1.010 56.839 55.803 0.044 0.000 0.875 92 Q CB -0.027 28.740 28.738 0.048 0.000 0.910 92 Q HN 0.469 nan 8.270 nan 0.000 0.433 93 L N 1.348 122.570 121.223 -0.003 0.000 2.272 93 L HA 0.327 4.667 4.340 -0.001 0.000 0.289 93 L C -0.574 176.179 176.870 -0.194 0.000 1.032 93 L CA -0.180 54.635 54.840 -0.042 0.000 0.810 93 L CB 1.153 43.212 42.059 -0.000 0.000 1.205 93 L HN 0.133 nan 8.230 nan 0.000 0.422 94 N N 2.285 120.699 118.700 -0.476 0.000 2.269 94 N HA 0.360 5.099 4.740 -0.001 0.000 0.304 94 N C 0.572 175.907 175.510 -0.293 0.000 1.072 94 N CA 0.098 52.846 53.050 -0.504 0.000 0.802 94 N CB 2.296 40.292 38.487 -0.818 0.000 1.348 94 N HN 0.647 nan 8.380 nan 0.000 0.484 95 A N 2.612 125.354 122.820 -0.130 0.000 1.892 95 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 95 A C 1.328 178.922 177.584 0.017 0.000 1.188 95 A CA 1.333 53.357 52.037 -0.022 0.000 0.631 95 A CB -0.395 18.603 19.000 -0.003 0.000 0.822 95 A HN 0.815 nan 8.150 nan 0.000 0.447 96 E N 0.338 120.536 120.200 -0.003 0.000 2.301 96 E HA 0.007 4.357 4.350 -0.001 0.000 0.195 96 E C -0.593 176.100 176.600 0.156 0.000 1.171 96 E CA -0.188 56.249 56.400 0.062 0.000 1.142 96 E CB -0.451 29.278 29.700 0.049 0.000 1.218 96 E HN 0.775 nan 8.360 nan 0.000 0.448 97 H N -0.873 118.222 119.070 0.041 0.000 2.472 97 H HA 0.446 5.002 4.556 -0.001 0.000 0.335 97 H C 0.022 175.378 175.328 0.047 0.000 1.136 97 H CA -0.662 55.404 56.048 0.030 0.000 1.264 97 H CB 1.684 31.452 29.762 0.009 0.000 1.486 97 H HN 0.207 nan 8.280 nan 0.000 0.517 98 A N 1.717 124.612 122.820 0.125 0.000 2.313 98 A HA 0.013 4.332 4.320 -0.001 0.000 0.261 98 A C 1.500 179.138 177.584 0.089 0.000 1.090 98 A CA -0.256 51.835 52.037 0.089 0.000 0.807 98 A CB 0.390 19.413 19.000 0.038 0.000 1.055 98 A HN 0.997 nan 8.150 nan 0.000 0.492 99 E N 0.731 121.010 120.200 0.131 0.000 2.085 99 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 99 E C 1.830 178.467 176.600 0.061 0.000 0.994 99 E CA 1.665 58.174 56.400 0.181 0.000 0.801 99 E CB -0.265 29.579 29.700 0.239 0.000 0.743 99 E HN 0.734 nan 8.360 nan 0.000 0.453 100 A N 1.063 123.903 122.820 0.034 0.000 1.972 100 A HA -0.214 4.106 4.320 -0.001 0.000 0.219 100 A C 1.730 179.283 177.584 -0.051 0.000 1.169 100 A CA 1.830 53.866 52.037 -0.003 0.000 0.635 100 A CB -0.455 18.542 19.000 -0.005 0.000 0.810 100 A HN 0.345 nan 8.150 nan 0.000 0.446 101 D N -0.217 120.129 120.400 -0.090 0.000 2.097 101 D HA -0.085 4.555 4.640 -0.001 0.000 0.197 101 D C 2.069 178.294 176.300 -0.125 0.000 0.984 101 D CA 1.442 55.332 54.000 -0.183 0.000 0.826 101 D CB -0.601 39.948 40.800 -0.417 0.000 0.973 101 D HN 0.221 nan 8.370 nan 0.000 0.460 102 V N 1.121 120.963 119.914 -0.120 0.000 2.407 102 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 102 V C 2.549 178.530 176.094 -0.189 0.000 1.055 102 V CA 1.408 63.582 62.300 -0.209 0.000 1.049 102 V CB -0.434 31.034 31.823 -0.593 0.000 0.662 102 V HN 0.149 nan 8.190 nan 0.000 0.455 103 R N 0.039 120.457 120.500 -0.137 0.000 2.073 103 R HA -0.177 4.163 4.340 -0.001 0.000 0.234 103 R C 2.573 178.858 176.300 -0.024 0.000 1.134 103 R CA 1.869 57.934 56.100 -0.058 0.000 0.952 103 R CB -0.264 30.028 30.300 -0.014 0.000 0.850 103 R HN 0.416 nan 8.270 nan 0.000 0.433 104 R N 0.126 120.609 120.500 -0.028 0.000 2.081 104 R HA -0.099 4.241 4.340 -0.001 0.000 0.235 104 R C 2.140 178.451 176.300 0.018 0.000 1.131 104 R CA 1.598 57.693 56.100 -0.009 0.000 0.960 104 R CB -0.183 30.099 30.300 -0.029 0.000 0.856 104 R HN 0.116 nan 8.270 nan 0.000 0.436 105 V N 1.447 121.369 119.914 0.013 0.000 2.343 105 V HA -0.254 3.865 4.120 -0.001 0.000 0.247 105 V C 2.362 178.514 176.094 0.097 0.000 1.051 105 V CA 1.647 63.979 62.300 0.053 0.000 1.036 105 V CB -0.367 31.496 31.823 0.067 0.000 0.654 105 V HN 0.339 nan 8.190 nan 0.000 0.451 106 L N -1.192 120.093 121.223 0.103 0.000 2.056 106 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 106 L C 2.421 179.458 176.870 0.279 0.000 1.078 106 L CA 1.022 55.991 54.840 0.214 0.000 0.749 106 L CB -0.531 41.625 42.059 0.162 0.000 0.901 106 L HN 0.293 nan 8.230 nan 0.000 0.433 107 L N -0.282 121.026 121.223 0.141 0.000 2.046 107 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 107 L C 2.608 179.576 176.870 0.164 0.000 1.077 107 L CA 1.815 56.727 54.840 0.120 0.000 0.747 107 L CB -0.549 41.539 42.059 0.049 0.000 0.896 107 L HN 0.277 nan 8.230 nan 0.000 0.432 108 Q N -1.619 118.260 119.800 0.132 0.000 2.123 108 Q HA -0.102 4.238 4.340 -0.001 0.000 0.199 108 Q C 2.284 178.367 176.000 0.137 0.000 0.966 108 Q CA 1.282 57.154 55.803 0.113 0.000 0.845 108 Q CB -0.307 28.476 28.738 0.075 0.000 0.907 108 Q HN 0.596 nan 8.270 nan 0.000 0.439 109 A N 0.540 123.456 122.820 0.159 0.000 1.908 109 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 109 A C 1.743 179.388 177.584 0.101 0.000 1.181 109 A CA 1.284 53.387 52.037 0.111 0.000 0.627 109 A CB -0.716 18.344 19.000 0.100 0.000 0.818 109 A HN 0.300 nan 8.150 nan 0.000 0.445 110 F N -0.060 119.948 119.950 0.096 0.000 2.206 110 F HA -0.069 4.457 4.527 -0.001 0.000 0.298 110 F C 2.071 177.931 175.800 0.100 0.000 1.090 110 F CA 1.510 59.575 58.000 0.108 0.000 1.323 110 F CB -0.444 38.619 39.000 0.105 0.000 1.028 110 F HN 0.409 nan 8.300 nan 0.000 0.492 111 D N -0.031 120.523 120.400 0.256 0.000 2.117 111 D HA -0.147 4.493 4.640 -0.001 0.000 0.197 111 D C 2.123 178.509 176.300 0.143 0.000 0.987 111 D CA 1.172 55.275 54.000 0.172 0.000 0.829 111 D CB -0.077 40.800 40.800 0.128 0.000 0.961 111 D HN 0.055 nan 8.370 nan 0.000 0.460 112 V N -0.200 119.789 119.914 0.125 0.000 2.358 112 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 112 V C 2.562 178.743 176.094 0.145 0.000 1.047 112 V CA 1.133 63.499 62.300 0.110 0.000 1.035 112 V CB -0.211 31.658 31.823 0.078 0.000 0.658 112 V HN 0.185 nan 8.190 nan 0.000 0.452 113 V N 0.120 120.115 119.914 0.135 0.000 2.295 113 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 113 V C 2.560 178.819 176.094 0.275 0.000 1.049 113 V CA 2.372 64.792 62.300 0.201 0.000 1.024 113 V CB -0.492 31.368 31.823 0.063 0.000 0.648 113 V HN 0.657 nan 8.190 nan 0.000 0.447 114 E N 0.651 120.974 120.200 0.205 0.000 2.051 114 E HA -0.210 4.140 4.350 -0.001 0.000 0.192 114 E C 2.313 179.025 176.600 0.187 0.000 0.991 114 E CA 1.585 58.101 56.400 0.193 0.000 0.799 114 E CB -0.271 29.527 29.700 0.164 0.000 0.748 114 E HN 0.508 nan 8.360 nan 0.000 0.449 115 R N 0.110 120.704 120.500 0.156 0.000 2.096 115 R HA -0.079 4.260 4.340 -0.001 0.000 0.235 115 R C 2.696 179.066 176.300 0.117 0.000 1.127 115 R CA 1.529 57.703 56.100 0.123 0.000 0.968 115 R CB -0.540 29.822 30.300 0.104 0.000 0.861 115 R HN 0.339 nan 8.270 nan 0.000 0.440 116 S N 0.452 116.257 115.700 0.175 0.000 2.428 116 S HA -0.123 4.347 4.470 -0.001 0.000 0.230 116 S C 1.812 176.507 174.600 0.157 0.000 1.014 116 S CA 0.525 58.846 58.200 0.202 0.000 0.957 116 S CB -0.339 63.032 63.200 0.286 0.000 0.784 116 S HN 0.354 nan 8.310 nan 0.000 0.499 117 F N 2.541 122.449 119.950 -0.071 0.000 2.113 117 F HA 0.181 4.708 4.527 -0.000 0.000 0.297 117 F C 1.826 177.440 175.800 -0.310 0.000 1.103 117 F CA 1.066 58.702 58.000 -0.608 0.000 1.248 117 F CB -0.458 38.142 39.000 -0.667 0.000 0.999 117 F HN 0.151 nan 8.300 nan 0.000 0.475 118 L N 0.114 121.165 121.223 -0.288 0.000 2.083 118 L HA -0.165 4.175 4.340 -0.001 0.000 0.209 118 L C 2.573 179.314 176.870 -0.215 0.000 1.083 118 L CA 1.486 56.161 54.840 -0.275 0.000 0.752 118 L CB -0.809 41.253 42.059 0.005 0.000 0.899 118 L HN 0.195 nan 8.230 nan 0.000 0.433 119 E N 0.391 120.513 120.200 -0.130 0.000 2.150 119 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 119 E C 2.242 178.751 176.600 -0.152 0.000 0.985 119 E CA 1.457 57.806 56.400 -0.085 0.000 0.814 119 E CB 0.098 29.787 29.700 -0.018 0.000 0.752 119 E HN 0.485 nan 8.360 nan 0.000 0.466 120 S N 0.501 116.052 115.700 -0.248 0.000 2.447 120 S HA -0.111 4.359 4.470 -0.001 0.000 0.233 120 S C 2.032 176.454 174.600 -0.298 0.000 1.006 120 S CA 1.029 59.090 58.200 -0.231 0.000 0.957 120 S CB -0.673 62.397 63.200 -0.216 0.000 0.773 120 S HN 0.464 nan 8.310 nan 0.000 0.507 121 I N -2.469 117.846 120.570 -0.426 0.000 4.018 121 I HA 0.394 4.563 4.170 -0.001 0.000 0.337 121 I C 1.313 177.298 176.117 -0.220 0.000 1.327 121 I CA 0.006 61.096 61.300 -0.349 0.000 1.100 121 I CB -0.152 37.561 38.000 -0.478 0.000 1.025 121 I HN -0.103 nan 8.210 nan 0.000 0.396 122 D N 2.705 123.005 120.400 -0.166 0.000 2.116 122 D HA -0.223 4.416 4.640 -0.001 0.000 0.193 122 D C 1.663 177.899 176.300 -0.107 0.000 0.998 122 D CA 1.940 55.874 54.000 -0.112 0.000 0.836 122 D CB 0.034 40.784 40.800 -0.083 0.000 0.951 122 D HN 0.369 nan 8.370 nan 0.000 0.449 123 D N -0.349 119.993 120.400 -0.097 0.000 2.097 123 D HA -0.122 4.517 4.640 -0.001 0.000 0.195 123 D C 1.977 178.224 176.300 -0.087 0.000 0.989 123 D CA 1.457 55.409 54.000 -0.080 0.000 0.827 123 D CB -0.554 40.207 40.800 -0.065 0.000 0.966 123 D HN 0.222 nan 8.370 nan 0.000 0.456 124 A N 0.653 123.411 122.820 -0.104 0.000 1.978 124 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 124 A C 2.403 179.910 177.584 -0.128 0.000 1.170 124 A CA 0.900 52.872 52.037 -0.108 0.000 0.636 124 A CB -0.746 18.180 19.000 -0.123 0.000 0.810 124 A HN 0.214 nan 8.150 nan 0.000 0.448 125 L N -1.094 120.037 121.223 -0.153 0.000 2.093 125 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 125 L C 3.079 179.883 176.870 -0.110 0.000 1.085 125 L CA 1.002 55.745 54.840 -0.162 0.000 0.755 125 L CB -0.479 41.484 42.059 -0.159 0.000 0.904 125 L HN 0.456 nan 8.230 nan 0.000 0.435 126 A N -0.390 122.373 122.820 -0.095 0.000 1.897 126 A HA -0.233 4.087 4.320 -0.001 0.000 0.215 126 A C 2.254 179.802 177.584 -0.059 0.000 1.181 126 A CA 1.584 53.577 52.037 -0.074 0.000 0.620 126 A CB -0.440 18.519 19.000 -0.068 0.000 0.821 126 A HN 0.441 nan 8.150 nan 0.000 0.443 127 E N -0.046 120.118 120.200 -0.059 0.000 2.110 127 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 127 E C 2.057 178.633 176.600 -0.041 0.000 0.988 127 E CA 1.375 57.748 56.400 -0.045 0.000 0.804 127 E CB -0.122 29.552 29.700 -0.044 0.000 0.745 127 E HN 0.606 nan 8.360 nan 0.000 0.458 128 K N 0.171 120.538 120.400 -0.055 0.000 2.026 128 K HA -0.165 4.154 4.320 -0.001 0.000 0.208 128 K C 2.071 178.652 176.600 -0.031 0.000 1.048 128 K CA 1.220 57.480 56.287 -0.045 0.000 0.929 128 K CB -0.200 32.260 32.500 -0.068 0.000 0.713 128 K HN 0.144 nan 8.250 nan 0.000 0.439 129 A N 0.651 123.448 122.820 -0.038 0.000 1.902 129 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 129 A C 2.173 179.743 177.584 -0.024 0.000 1.181 129 A CA 2.270 54.290 52.037 -0.030 0.000 0.623 129 A CB -0.855 18.121 19.000 -0.039 0.000 0.818 129 A HN 0.513 nan 8.150 nan 0.000 0.443 130 S N -0.461 115.224 115.700 -0.025 0.000 2.368 130 S HA -0.079 4.391 4.470 -0.001 0.000 0.224 130 S C 1.959 176.554 174.600 -0.008 0.000 1.029 130 S CA 1.366 59.555 58.200 -0.017 0.000 0.988 130 S CB -0.498 62.691 63.200 -0.018 0.000 0.838 130 S HN 0.481 nan 8.310 nan 0.000 0.462 131 L N 0.809 122.028 121.223 -0.007 0.000 2.093 131 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 131 L C 2.974 179.846 176.870 0.004 0.000 1.085 131 L CA 1.335 56.178 54.840 0.005 0.000 0.755 131 L CB -0.590 41.472 42.059 0.005 0.000 0.904 131 L HN 0.431 nan 8.230 nan 0.000 0.435 132 Q N -0.739 119.057 119.800 -0.006 0.000 2.170 132 Q HA -0.205 4.134 4.340 -0.001 0.000 0.203 132 Q C 2.438 178.425 176.000 -0.022 0.000 0.976 132 Q CA 1.744 57.539 55.803 -0.013 0.000 0.858 132 Q CB -0.156 28.576 28.738 -0.010 0.000 0.907 132 Q HN 0.449 nan 8.270 nan 0.000 0.433 133 S N 0.570 116.260 115.700 -0.017 0.000 2.423 133 S HA -0.170 4.300 4.470 -0.001 0.000 0.231 133 S C 1.641 176.230 174.600 -0.018 0.000 1.014 133 S CA 1.094 59.282 58.200 -0.020 0.000 0.965 133 S CB 0.042 63.233 63.200 -0.015 0.000 0.785 133 S HN 0.365 nan 8.310 nan 0.000 0.495 134 Q N -0.321 119.478 119.800 -0.001 0.000 2.425 134 Q HA 0.305 4.644 4.340 -0.001 0.000 0.204 134 Q C -0.462 175.532 176.000 -0.011 0.000 0.933 134 Q CA -0.016 55.804 55.803 0.029 0.000 0.939 134 Q CB 0.161 28.943 28.738 0.075 0.000 1.044 134 Q HN 0.417 nan 8.270 nan 0.000 0.513 135 L N 1.657 122.836 121.223 -0.074 0.000 2.296 135 L HA 0.399 4.739 4.340 -0.001 0.000 0.286 135 L C -2.515 174.208 176.870 -0.246 0.000 1.023 135 L CA -2.306 52.427 54.840 -0.178 0.000 0.812 135 L CB 1.095 43.108 42.059 -0.075 0.000 1.223 135 L HN -0.188 nan 8.230 nan 0.000 0.421 136 P HA 0.083 nan 4.420 nan 0.000 0.265 136 P C -0.889 176.304 177.300 -0.178 0.000 1.222 136 P CA -0.069 62.852 63.100 -0.297 0.000 0.767 136 P CB 0.387 31.857 31.700 -0.383 0.000 0.801 137 E N 2.476 122.605 120.200 -0.118 0.000 2.366 137 E HA 0.300 4.650 4.350 -0.001 0.000 0.266 137 E C 0.992 177.553 176.600 -0.065 0.000 1.051 137 E CA 0.202 56.555 56.400 -0.077 0.000 0.884 137 E CB -0.000 29.667 29.700 -0.055 0.000 1.006 137 E HN 0.718 nan 8.360 nan 0.000 0.417 138 G N 2.515 111.285 108.800 -0.049 0.000 2.148 138 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.254 138 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.254 138 G C -0.072 174.800 174.900 -0.047 0.000 0.981 138 G CA 0.221 45.298 45.100 -0.039 0.000 0.670 138 G HN 0.437 nan 8.290 nan 0.000 0.528 139 V N 2.813 122.689 119.914 -0.064 0.000 2.383 139 V HA 0.447 4.566 4.120 -0.001 0.000 0.275 139 V C -1.214 174.828 176.094 -0.087 0.000 1.036 139 V CA -1.607 60.646 62.300 -0.079 0.000 0.889 139 V CB 1.445 33.212 31.823 -0.093 0.000 0.985 139 V HN 0.249 nan 8.190 nan 0.000 0.459 140 P HA 0.018 nan 4.420 nan 0.000 0.261 140 P C 0.299 177.491 177.300 -0.180 0.000 1.183 140 P CA -0.022 62.995 63.100 -0.138 0.000 0.761 140 P CB 0.738 32.310 31.700 -0.213 0.000 0.785 141 Q N 2.757 122.540 119.800 -0.029 0.000 2.124 141 Q HA -0.292 4.047 4.340 -0.001 0.000 0.215 141 Q C 2.092 178.102 176.000 0.018 0.000 1.015 141 Q CA 2.595 58.410 55.803 0.021 0.000 0.890 141 Q CB -1.576 27.210 28.738 0.080 0.000 0.966 141 Q HN 0.707 nan 8.270 nan 0.000 0.412 142 H N -0.154 118.930 119.070 0.023 0.000 2.456 142 H HA -0.026 4.529 4.556 -0.001 0.000 0.296 142 H C 1.250 176.594 175.328 0.027 0.000 1.079 142 H CA 1.507 57.569 56.048 0.023 0.000 1.322 142 H CB -0.222 29.551 29.762 0.018 0.000 1.388 142 H HN 0.478 nan 8.280 nan 0.000 0.538 143 Q N 0.403 119.960 119.800 -0.404 0.000 2.451 143 Q HA 0.124 4.463 4.340 -0.001 0.000 0.206 143 Q C -0.015 175.943 176.000 -0.071 0.000 0.947 143 Q CA -0.310 55.362 55.803 -0.218 0.000 0.937 143 Q CB 0.354 28.920 28.738 -0.288 0.000 1.025 143 Q HN 0.162 nan 8.270 nan 0.000 0.511 144 L N 3.362 124.563 121.223 -0.037 0.000 2.361 144 L HA 0.159 4.499 4.340 -0.001 0.000 0.278 144 L C -1.915 175.005 176.870 0.083 0.000 1.113 144 L CA -1.930 52.942 54.840 0.052 0.000 0.849 144 L CB 0.359 42.457 42.059 0.065 0.000 1.155 144 L HN -0.030 nan 8.230 nan 0.000 0.452 145 P HA 0.079 nan 4.420 nan 0.000 0.270 145 P C -2.272 175.041 177.300 0.021 0.000 1.227 145 P CA -1.118 62.014 63.100 0.053 0.000 0.788 145 P CB 0.073 31.794 31.700 0.036 0.000 0.926 146 P HA -0.217 nan 4.420 nan 0.000 0.216 146 P C 1.923 179.182 177.300 -0.068 0.000 1.153 146 P CA 1.750 64.834 63.100 -0.026 0.000 0.858 146 P CB -0.184 31.498 31.700 -0.030 0.000 0.789 147 Q N -1.096 118.608 119.800 -0.160 0.000 2.029 147 Q HA -0.242 4.097 4.340 -0.001 0.000 0.209 147 Q C 1.530 177.376 176.000 -0.257 0.000 0.999 147 Q CA 1.861 57.496 55.803 -0.279 0.000 0.857 147 Q CB -0.581 27.854 28.738 -0.504 0.000 0.926 147 Q HN 0.245 nan 8.270 nan 0.000 0.415 148 Y N 0.179 120.475 120.300 -0.006 0.000 2.583 148 Y HA -0.041 4.509 4.550 -0.001 0.000 0.293 148 Y C 2.178 178.075 175.900 -0.005 0.000 1.157 148 Y CA 0.719 58.815 58.100 -0.007 0.000 1.315 148 Y CB -0.164 38.290 38.460 -0.011 0.000 1.021 148 Y HN 0.270 nan 8.280 nan 0.000 0.536 149 Q N 0.760 120.615 119.800 0.091 0.000 2.049 149 Q HA -0.152 4.188 4.340 -0.001 0.000 0.198 149 Q C 2.379 178.408 176.000 0.048 0.000 0.971 149 Q CA 1.616 57.457 55.803 0.065 0.000 0.833 149 Q CB -0.085 28.675 28.738 0.038 0.000 0.896 149 Q HN 0.353 nan 8.270 nan 0.000 0.434 150 K N 0.030 120.445 120.400 0.026 0.000 2.063 150 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 150 K C 1.898 178.516 176.600 0.030 0.000 1.048 150 K CA 1.546 57.844 56.287 0.018 0.000 0.928 150 K CB -0.234 32.265 32.500 -0.002 0.000 0.713 150 K HN 0.237 nan 8.250 nan 0.000 0.442 151 I N 1.182 121.783 120.570 0.051 0.000 2.226 151 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 151 I C 2.407 178.555 176.117 0.051 0.000 1.100 151 I CA 0.849 62.184 61.300 0.059 0.000 1.374 151 I CB -0.190 37.872 38.000 0.104 0.000 1.057 151 I HN 0.289 nan 8.210 nan 0.000 0.413 152 L N 0.526 121.786 121.223 0.061 0.000 2.042 152 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 152 L C 2.681 179.571 176.870 0.033 0.000 1.076 152 L CA 1.734 56.602 54.840 0.046 0.000 0.749 152 L CB -0.460 41.630 42.059 0.051 0.000 0.893 152 L HN 0.312 nan 8.230 nan 0.000 0.432 153 E N -0.302 119.917 120.200 0.032 0.000 2.110 153 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 153 E C 2.134 178.745 176.600 0.018 0.000 0.988 153 E CA 0.931 57.345 56.400 0.024 0.000 0.804 153 E CB -0.263 29.450 29.700 0.021 0.000 0.745 153 E HN 0.291 nan 8.360 nan 0.000 0.458 154 R N 1.014 121.524 120.500 0.017 0.000 2.115 154 R HA -0.008 4.332 4.340 -0.001 0.000 0.230 154 R C 2.330 178.635 176.300 0.008 0.000 1.111 154 R CA 0.834 56.940 56.100 0.010 0.000 0.976 154 R CB -0.753 29.553 30.300 0.009 0.000 0.870 154 R HN 0.180 nan 8.270 nan 0.000 0.445 155 L N 0.085 121.315 121.223 0.013 0.000 2.093 155 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 155 L C 2.173 179.050 176.870 0.013 0.000 1.085 155 L CA 1.598 56.445 54.840 0.010 0.000 0.755 155 L CB -0.230 41.839 42.059 0.016 0.000 0.904 155 L HN 0.205 nan 8.230 nan 0.000 0.435 156 K N -1.022 119.389 120.400 0.018 0.000 2.097 156 K HA -0.113 4.207 4.320 -0.001 0.000 0.205 156 K C 2.011 178.621 176.600 0.016 0.000 1.050 156 K CA 1.640 57.940 56.287 0.021 0.000 0.938 156 K CB -0.188 32.325 32.500 0.023 0.000 0.718 156 K HN 0.220 nan 8.250 nan 0.000 0.442 157 T N 1.874 116.434 114.554 0.011 0.000 2.746 157 T HA -0.075 4.275 4.350 -0.001 0.000 0.267 157 T C 1.751 176.450 174.700 -0.001 0.000 1.039 157 T CA 0.923 63.026 62.100 0.006 0.000 1.142 157 T CB -0.093 68.777 68.868 0.004 0.000 0.866 157 T HN 0.112 nan 8.240 nan 0.000 0.444 158 L N 0.627 121.845 121.223 -0.008 0.000 2.093 158 L HA -0.069 4.271 4.340 -0.001 0.000 0.208 158 L C 2.767 179.620 176.870 -0.028 0.000 1.085 158 L CA 1.189 56.013 54.840 -0.027 0.000 0.755 158 L CB -0.431 41.604 42.059 -0.039 0.000 0.904 158 L HN 0.225 nan 8.230 nan 0.000 0.435 159 E N 0.634 120.832 120.200 -0.003 0.000 2.110 159 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 159 E C 2.240 178.863 176.600 0.038 0.000 0.988 159 E CA 1.317 57.732 56.400 0.025 0.000 0.804 159 E CB 0.067 29.798 29.700 0.052 0.000 0.745 159 E HN 0.256 nan 8.360 nan 0.000 0.458 160 R N -0.139 120.376 120.500 0.025 0.000 2.115 160 R HA -0.064 4.275 4.340 -0.001 0.000 0.226 160 R C 2.335 178.649 176.300 0.024 0.000 1.100 160 R CA 1.297 57.413 56.100 0.026 0.000 0.980 160 R CB -0.194 30.117 30.300 0.018 0.000 0.875 160 R HN 0.317 nan 8.270 nan 0.000 0.445 161 E N 1.527 121.732 120.200 0.009 0.000 2.208 161 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 161 E C 1.759 178.359 176.600 -0.000 0.000 0.988 161 E CA 0.961 57.363 56.400 0.004 0.000 0.828 161 E CB 0.136 29.827 29.700 -0.015 0.000 0.763 161 E HN 0.494 nan 8.360 nan 0.000 0.478 162 I N -1.384 119.173 120.570 -0.021 0.000 4.070 162 I HA 0.201 4.370 4.170 -0.001 0.000 0.328 162 I C 0.792 176.983 176.117 0.124 0.000 1.298 162 I CA -0.422 60.848 61.300 -0.049 0.000 1.173 162 I CB 0.371 38.210 38.000 -0.268 0.000 1.051 162 I HN -0.071 nan 8.210 nan 0.000 0.409 163 S N 1.019 116.816 115.700 0.162 0.000 2.669 163 S HA 0.831 5.301 4.470 -0.001 0.000 0.270 163 S C 0.290 174.943 174.600 0.089 0.000 1.225 163 S CA 0.209 58.556 58.200 0.244 0.000 0.991 163 S CB 1.223 64.546 63.200 0.205 0.000 0.987 163 S HN 0.889 nan 8.310 nan 0.000 0.552 164 G N -1.047 107.730 108.800 -0.039 0.000 2.465 164 G HA2 0.480 4.440 3.960 -0.001 0.000 0.681 164 G HA3 0.480 4.440 3.960 -0.001 0.000 0.681 164 G C -0.434 174.174 174.900 -0.487 0.000 1.340 164 G CA -0.436 44.498 45.100 -0.277 0.000 0.884 164 G HN 1.589 nan 8.290 nan 0.000 0.650 165 G N -1.114 107.156 108.800 -0.882 0.000 2.708 165 G HA2 1.151 5.110 3.960 -0.001 0.000 0.289 165 G HA3 1.151 5.110 3.960 -0.001 0.000 0.289 165 G C -0.548 174.020 174.900 -0.554 0.000 1.416 165 G CA 0.556 45.163 45.100 -0.821 0.000 0.829 165 G HN 2.389 nan 8.290 nan 0.000 0.480 166 A N -0.569 122.165 122.820 -0.142 0.000 2.604 166 A HA 0.786 5.106 4.320 -0.001 0.000 0.295 166 A C -1.304 176.404 177.584 0.207 0.000 1.067 166 A CA -0.546 51.529 52.037 0.062 0.000 0.683 166 A CB 1.883 20.885 19.000 0.004 0.000 1.281 166 A HN 0.662 nan 8.150 nan 0.000 0.407 167 M N 0.744 120.503 119.600 0.265 0.000 2.598 167 M HA 0.819 5.299 4.480 -0.001 0.000 0.317 167 M C -0.063 176.428 176.300 0.318 0.000 1.179 167 M CA 0.052 55.513 55.300 0.268 0.000 0.936 167 M CB 2.157 34.891 32.600 0.223 0.000 1.713 167 M HN 1.435 nan 8.290 nan 0.000 0.460 168 A N 1.422 124.441 122.820 0.330 0.000 2.488 168 A HA 0.811 5.131 4.320 -0.001 0.000 0.298 168 A C -1.828 175.891 177.584 0.225 0.000 1.044 168 A CA -0.773 51.462 52.037 0.330 0.000 0.693 168 A CB 1.658 21.049 19.000 0.651 0.000 1.272 168 A HN 0.724 nan 8.150 nan 0.000 0.402 169 V N 3.072 123.018 119.914 0.053 0.000 2.540 169 V HA 0.761 4.881 4.120 -0.001 0.000 0.302 169 V C -1.126 174.996 176.094 0.046 0.000 1.035 169 V CA -0.332 62.018 62.300 0.082 0.000 0.873 169 V CB 1.590 33.440 31.823 0.046 0.000 0.992 169 V HN 0.913 nan 8.190 nan 0.000 0.428 170 V N 5.558 125.584 119.914 0.187 0.000 2.823 170 V HA 0.959 5.079 4.120 -0.001 0.000 0.312 170 V C 0.012 176.255 176.094 0.250 0.000 1.072 170 V CA -0.116 62.321 62.300 0.229 0.000 0.937 170 V CB 1.948 34.017 31.823 0.410 0.000 1.013 170 V HN 1.184 nan 8.190 nan 0.000 0.430 171 A N 3.275 126.262 122.820 0.279 0.000 2.398 171 A HA 0.868 5.188 4.320 -0.001 0.000 0.301 171 A C -1.330 176.472 177.584 0.363 0.000 1.041 171 A CA -0.496 51.734 52.037 0.322 0.000 0.711 171 A CB 1.843 21.039 19.000 0.327 0.000 1.240 171 A HN 0.640 nan 8.150 nan 0.000 0.420 172 V N 2.657 122.790 119.914 0.365 0.000 2.495 172 V HA 0.534 4.653 4.120 -0.001 0.000 0.298 172 V C -0.867 175.483 176.094 0.427 0.000 1.031 172 V CA -0.514 61.996 62.300 0.349 0.000 0.871 172 V CB 1.563 33.565 31.823 0.297 0.000 0.988 172 V HN 0.801 nan 8.190 nan 0.000 0.432 173 L N 6.104 127.581 121.223 0.423 0.000 2.316 173 L HA 0.691 5.031 4.340 -0.001 0.000 0.280 173 L C -1.146 175.970 176.870 0.411 0.000 1.006 173 L CA -0.192 54.910 54.840 0.435 0.000 0.836 173 L CB 1.252 43.630 42.059 0.533 0.000 1.221 173 L HN 0.580 nan 8.230 nan 0.000 0.418 174 L N 5.240 126.680 121.223 0.361 0.000 2.376 174 L HA 0.523 4.862 4.340 -0.001 0.000 0.275 174 L C 0.069 177.084 176.870 0.241 0.000 0.987 174 L CA -0.070 54.948 54.840 0.296 0.000 0.828 174 L CB 1.252 43.512 42.059 0.334 0.000 1.249 174 L HN 0.694 nan 8.230 nan 0.000 0.409 175 N N 3.550 122.365 118.700 0.191 0.000 2.698 175 N HA -0.286 4.454 4.740 -0.001 0.000 0.258 175 N C 0.213 175.798 175.510 0.125 0.000 0.978 175 N CA 1.215 54.354 53.050 0.147 0.000 0.777 175 N CB -1.061 37.498 38.487 0.120 0.000 0.907 175 N HN 0.748 nan 8.380 nan 0.000 0.543 176 N N -2.013 116.773 118.700 0.144 0.000 2.693 176 N HA -0.240 4.500 4.740 -0.001 0.000 0.249 176 N C -1.150 174.356 175.510 -0.005 0.000 1.119 176 N CA 1.522 54.616 53.050 0.074 0.000 0.717 176 N CB -0.265 38.251 38.487 0.047 0.000 1.071 176 N HN 0.559 nan 8.380 nan 0.000 0.555 177 K N -0.236 120.172 120.400 0.013 0.000 2.316 177 K HA 0.627 4.947 4.320 -0.001 0.000 0.251 177 K C -1.034 175.472 176.600 -0.157 0.000 0.934 177 K CA -0.764 55.444 56.287 -0.131 0.000 0.802 177 K CB 1.754 34.163 32.500 -0.152 0.000 1.171 177 K HN 0.136 nan 8.250 nan 0.000 0.426 178 L N 3.658 124.713 121.223 -0.280 0.000 2.313 178 L HA 0.524 4.864 4.340 -0.001 0.000 0.283 178 L C -1.768 174.941 176.870 -0.268 0.000 1.013 178 L CA -0.137 54.618 54.840 -0.141 0.000 0.816 178 L CB 0.493 42.502 42.059 -0.083 0.000 1.236 178 L HN 0.530 nan 8.230 nan 0.000 0.419 179 Y N 3.666 124.044 120.300 0.129 0.000 2.446 179 Y HA 0.725 5.275 4.550 -0.000 0.000 0.345 179 Y C -0.400 175.592 175.900 0.153 0.000 0.984 179 Y CA -1.042 57.135 58.100 0.129 0.000 1.058 179 Y CB 2.129 40.665 38.460 0.127 0.000 1.220 179 Y HN 0.269 nan 8.280 nan 0.000 0.455 180 V N 2.422 122.522 119.914 0.309 0.000 2.531 180 V HA 0.804 4.923 4.120 -0.001 0.000 0.301 180 V C -0.525 175.718 176.094 0.248 0.000 1.034 180 V CA -0.914 61.539 62.300 0.255 0.000 0.865 180 V CB 1.431 33.368 31.823 0.189 0.000 0.995 180 V HN 0.888 nan 8.190 nan 0.000 0.424 181 A N 4.078 127.014 122.820 0.194 0.000 2.303 181 A HA 0.849 5.169 4.320 -0.001 0.000 0.320 181 A C -0.541 177.064 177.584 0.034 0.000 1.192 181 A CA -0.539 51.523 52.037 0.041 0.000 0.821 181 A CB 0.937 19.929 19.000 -0.014 0.000 1.188 181 A HN 0.821 nan 8.150 nan 0.000 0.492 182 N N 1.257 119.958 118.700 0.001 0.000 2.295 182 N HA 0.545 5.285 4.740 -0.001 0.000 0.293 182 N C -1.908 173.685 175.510 0.139 0.000 1.040 182 N CA -0.291 52.812 53.050 0.089 0.000 0.840 182 N CB 2.019 40.581 38.487 0.124 0.000 1.468 182 N HN 0.274 nan 8.380 nan 0.000 0.478 183 V N 3.247 123.273 119.914 0.187 0.000 2.357 183 V HA 0.881 5.001 4.120 -0.001 0.000 0.281 183 V C 0.844 177.119 176.094 0.301 0.000 1.015 183 V CA 0.358 62.813 62.300 0.259 0.000 0.827 183 V CB 0.142 32.100 31.823 0.226 0.000 1.018 183 V HN 1.061 nan 8.190 nan 0.000 0.432 184 G N 4.554 113.615 108.800 0.436 0.000 2.384 184 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.200 184 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.200 184 G C 0.426 175.406 174.900 0.134 0.000 1.205 184 G CA 0.239 45.497 45.100 0.265 0.000 1.116 184 G HN 1.163 nan 8.290 nan 0.000 0.547 185 T N -0.959 113.672 114.554 0.128 0.000 3.129 185 T HA 0.376 4.726 4.350 -0.001 0.000 0.267 185 T C 0.588 175.403 174.700 0.191 0.000 1.018 185 T CA 0.425 62.602 62.100 0.129 0.000 0.903 185 T CB -0.088 68.871 68.868 0.152 0.000 1.067 185 T HN 0.521 nan 8.240 nan 0.000 0.549 186 N N 2.224 121.012 118.700 0.148 0.000 2.381 186 N HA 0.445 5.185 4.740 -0.001 0.000 0.254 186 N C -0.011 175.560 175.510 0.102 0.000 1.264 186 N CA -0.279 52.867 53.050 0.161 0.000 0.942 186 N CB 0.644 39.192 38.487 0.102 0.000 1.190 186 N HN 0.409 nan 8.380 nan 0.000 0.495 187 R N -0.267 120.282 120.500 0.082 0.000 2.744 187 R HA 0.751 5.091 4.340 -0.001 0.000 0.279 187 R C -1.143 175.144 176.300 -0.023 0.000 0.977 187 R CA -0.976 55.111 56.100 -0.021 0.000 0.906 187 R CB 1.912 32.144 30.300 -0.113 0.000 1.197 187 R HN 0.568 nan 8.270 nan 0.000 0.463 188 A N 3.257 126.044 122.820 -0.056 0.000 2.343 188 A HA 0.715 5.035 4.320 -0.001 0.000 0.316 188 A C -0.961 176.580 177.584 -0.072 0.000 1.104 188 A CA -0.672 51.341 52.037 -0.040 0.000 0.768 188 A CB 0.914 19.903 19.000 -0.019 0.000 1.213 188 A HN 0.546 nan 8.150 nan 0.000 0.456 189 L N 2.318 123.509 121.223 -0.054 0.000 2.386 189 L HA 0.546 4.886 4.340 -0.001 0.000 0.271 189 L C -1.137 175.684 176.870 -0.082 0.000 0.993 189 L CA -0.864 53.928 54.840 -0.079 0.000 0.819 189 L CB 2.002 44.022 42.059 -0.066 0.000 1.294 189 L HN 0.628 nan 8.230 nan 0.000 0.414 190 L N 2.944 124.091 121.223 -0.127 0.000 2.280 190 L HA 0.507 4.847 4.340 -0.001 0.000 0.287 190 L C -0.848 175.856 176.870 -0.277 0.000 1.023 190 L CA 0.027 54.773 54.840 -0.158 0.000 0.819 190 L CB 1.121 43.094 42.059 -0.143 0.000 1.212 190 L HN 0.652 nan 8.230 nan 0.000 0.420 191 C N 4.960 123.970 119.300 -0.484 0.000 2.264 191 C HA 0.482 4.942 4.460 -0.001 0.000 0.322 191 C C 0.193 174.777 174.990 -0.677 0.000 1.210 191 C CA -1.031 57.561 59.018 -0.709 0.000 1.539 191 C CB -0.064 26.869 27.740 -1.345 0.000 2.167 191 C HN 0.699 nan 8.230 nan 0.000 0.463 192 K N 1.946 122.102 120.400 -0.407 0.000 2.185 192 K HA 0.433 4.753 4.320 -0.001 0.000 0.269 192 K C 0.114 176.575 176.600 -0.231 0.000 0.987 192 K CA 0.073 56.187 56.287 -0.288 0.000 0.865 192 K CB 1.283 33.668 32.500 -0.192 0.000 1.090 192 K HN 0.736 nan 8.250 nan 0.000 0.450 193 S N 1.230 116.838 115.700 -0.154 0.000 2.399 193 S HA 0.146 4.616 4.470 -0.001 0.000 0.301 193 S C 0.304 174.891 174.600 -0.021 0.000 1.093 193 S CA -0.839 57.343 58.200 -0.031 0.000 1.077 193 S CB 0.285 63.589 63.200 0.173 0.000 0.980 193 S HN 0.604 nan 8.310 nan 0.000 0.494 194 T N -0.461 114.072 114.554 -0.035 0.000 2.897 194 T HA 0.414 4.764 4.350 -0.001 0.000 0.278 194 T C 1.675 176.366 174.700 -0.014 0.000 0.981 194 T CA -0.356 61.725 62.100 -0.032 0.000 0.973 194 T CB 0.640 69.481 68.868 -0.045 0.000 1.092 194 T HN 0.819 nan 8.240 nan 0.000 0.543 195 V N -1.654 118.251 119.914 -0.016 0.000 2.594 195 V HA 0.014 4.134 4.120 -0.001 0.000 0.253 195 V C 0.896 176.984 176.094 -0.010 0.000 1.069 195 V CA 1.360 63.654 62.300 -0.011 0.000 1.082 195 V CB -0.856 30.960 31.823 -0.013 0.000 0.680 195 V HN 0.844 nan 8.190 nan 0.000 0.469 196 D N 1.442 121.833 120.400 -0.015 0.000 3.071 196 D HA 0.484 5.123 4.640 -0.001 0.000 0.259 196 D C 0.937 177.228 176.300 -0.014 0.000 1.331 196 D CA 1.102 55.094 54.000 -0.014 0.000 0.861 196 D CB 0.476 41.265 40.800 -0.019 0.000 1.059 196 D HN 0.677 nan 8.370 nan 0.000 0.486 197 G N 0.693 109.489 108.800 -0.006 0.000 2.500 197 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.209 197 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.209 197 G C -1.173 173.719 174.900 -0.013 0.000 1.283 197 G CA -0.948 44.151 45.100 -0.002 0.000 0.960 197 G HN 0.237 nan 8.290 nan 0.000 0.528 198 L N 0.927 122.137 121.223 -0.021 0.000 2.265 198 L HA 0.634 4.974 4.340 -0.001 0.000 0.289 198 L C 0.597 177.406 176.870 -0.101 0.000 1.033 198 L CA -0.283 54.515 54.840 -0.070 0.000 0.814 198 L CB 1.379 43.405 42.059 -0.055 0.000 1.203 198 L HN 0.722 nan 8.230 nan 0.000 0.423 199 Q N 4.096 123.816 119.800 -0.134 0.000 2.294 199 Q HA 0.438 4.778 4.340 -0.001 0.000 0.257 199 Q C -1.503 174.395 176.000 -0.169 0.000 0.955 199 Q CA -0.511 55.215 55.803 -0.128 0.000 0.936 199 Q CB 1.147 29.815 28.738 -0.117 0.000 1.188 199 Q HN 0.563 nan 8.270 nan 0.000 0.420 200 V N 3.903 123.735 119.914 -0.137 0.000 2.384 200 V HA 0.387 4.507 4.120 -0.001 0.000 0.287 200 V C -0.051 175.967 176.094 -0.127 0.000 1.020 200 V CA -0.529 61.684 62.300 -0.146 0.000 0.850 200 V CB 1.519 33.275 31.823 -0.112 0.000 0.987 200 V HN 0.803 nan 8.190 nan 0.000 0.436 201 T N 4.369 118.839 114.554 -0.140 0.000 2.881 201 T HA 0.317 4.667 4.350 -0.001 0.000 0.291 201 T C -0.594 174.026 174.700 -0.134 0.000 0.990 201 T CA -0.490 61.534 62.100 -0.127 0.000 0.976 201 T CB 1.419 70.214 68.868 -0.122 0.000 0.970 201 T HN 0.766 nan 8.240 nan 0.000 0.438 202 Q N 5.176 124.895 119.800 -0.137 0.000 2.286 202 Q HA 0.247 4.587 4.340 -0.001 0.000 0.265 202 Q C 0.929 176.818 176.000 -0.184 0.000 1.080 202 Q CA -0.279 55.430 55.803 -0.155 0.000 0.906 202 Q CB 0.497 29.135 28.738 -0.167 0.000 1.227 202 Q HN 0.797 nan 8.270 nan 0.000 0.409 203 L N 3.014 124.122 121.223 -0.191 0.000 2.201 203 L HA -0.106 4.234 4.340 -0.001 0.000 0.212 203 L C 1.204 177.766 176.870 -0.515 0.000 1.105 203 L CA 0.525 55.213 54.840 -0.253 0.000 0.775 203 L CB -0.571 41.390 42.059 -0.163 0.000 0.913 203 L HN 0.678 nan 8.230 nan 0.000 0.440 204 N N -0.658 117.767 118.700 -0.459 0.000 2.741 204 N HA 0.348 5.087 4.740 -0.001 0.000 0.310 204 N C -0.965 174.328 175.510 -0.361 0.000 1.295 204 N CA -0.460 52.206 53.050 -0.641 0.000 0.893 204 N CB 2.554 40.887 38.487 -0.258 0.000 1.247 204 N HN -0.168 nan 8.380 nan 0.000 0.596 205 V N -0.141 119.638 119.914 -0.225 0.000 2.735 205 V HA 0.311 4.431 4.120 -0.001 0.000 0.310 205 V C -1.360 174.562 176.094 -0.286 0.000 1.061 205 V CA -0.729 61.464 62.300 -0.178 0.000 0.913 205 V CB 1.570 33.358 31.823 -0.058 0.000 1.005 205 V HN 0.649 nan 8.190 nan 0.000 0.428 206 D N 3.504 123.785 120.400 -0.200 0.000 2.417 206 D HA 0.216 4.856 4.640 -0.001 0.000 0.250 206 D C -0.240 175.975 176.300 -0.141 0.000 1.166 206 D CA 0.623 54.524 54.000 -0.165 0.000 0.881 206 D CB 0.230 40.993 40.800 -0.062 0.000 1.164 206 D HN 0.677 nan 8.370 nan 0.000 0.467 207 H N 0.926 120.025 119.070 0.050 0.000 3.014 207 H HA 0.332 4.888 4.556 -0.001 0.000 0.266 207 H C 0.518 175.866 175.328 0.034 0.000 1.455 207 H CA -0.417 55.656 56.048 0.041 0.000 1.402 207 H CB 0.116 29.902 29.762 0.041 0.000 1.626 207 H HN 0.300 nan 8.280 nan 0.000 0.520 208 T N -2.167 112.462 114.554 0.124 0.000 2.831 208 T HA 0.118 4.468 4.350 -0.001 0.000 0.287 208 T C 1.400 176.137 174.700 0.061 0.000 1.070 208 T CA -0.516 61.630 62.100 0.076 0.000 1.010 208 T CB 1.283 70.184 68.868 0.055 0.000 1.264 208 T HN 0.361 nan 8.240 nan 0.000 0.532 209 T N -2.227 112.351 114.554 0.040 0.000 3.227 209 T HA 0.164 4.514 4.350 -0.001 0.000 0.257 209 T C 0.808 175.528 174.700 0.034 0.000 1.162 209 T CA 0.563 62.683 62.100 0.033 0.000 1.051 209 T CB -0.548 68.333 68.868 0.021 0.000 0.953 209 T HN 0.745 nan 8.240 nan 0.000 0.535 210 E N 0.638 120.859 120.200 0.036 0.000 2.489 210 E HA 0.156 4.505 4.350 -0.001 0.000 0.204 210 E C 0.349 176.968 176.600 0.033 0.000 1.006 210 E CA -0.363 56.054 56.400 0.029 0.000 0.936 210 E CB 0.279 29.991 29.700 0.021 0.000 1.002 210 E HN 0.333 nan 8.360 nan 0.000 0.488 211 N N 1.934 120.662 118.700 0.048 0.000 2.406 211 N HA -0.018 4.722 4.740 -0.001 0.000 0.251 211 N C 0.444 175.995 175.510 0.068 0.000 1.069 211 N CA 0.355 53.440 53.050 0.058 0.000 0.947 211 N CB 0.899 39.441 38.487 0.092 0.000 1.111 211 N HN 0.090 nan 8.380 nan 0.000 0.497 212 E N 2.270 122.503 120.200 0.055 0.000 2.058 212 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 212 E C 0.325 176.988 176.600 0.105 0.000 0.997 212 E CA 1.306 57.744 56.400 0.063 0.000 0.801 212 E CB 0.209 29.927 29.700 0.030 0.000 0.746 212 E HN 0.633 nan 8.360 nan 0.000 0.450 213 D N 0.546 121.006 120.400 0.101 0.000 2.182 213 D HA -0.160 4.480 4.640 -0.001 0.000 0.201 213 D C 1.738 178.144 176.300 0.177 0.000 0.986 213 D CA 0.904 54.995 54.000 0.152 0.000 0.847 213 D CB -0.096 40.773 40.800 0.117 0.000 0.942 213 D HN 0.178 nan 8.370 nan 0.000 0.467 214 E N 0.056 120.333 120.200 0.128 0.000 2.158 214 E HA 0.013 4.363 4.350 -0.001 0.000 0.191 214 E C 2.445 179.087 176.600 0.071 0.000 0.982 214 E CA -0.011 56.441 56.400 0.086 0.000 0.823 214 E CB -0.020 29.733 29.700 0.088 0.000 0.766 214 E HN 0.348 nan 8.360 nan 0.000 0.468 215 L N 0.214 121.493 121.223 0.093 0.000 2.141 215 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 215 L C 2.402 179.339 176.870 0.112 0.000 1.094 215 L CA 0.793 55.682 54.840 0.080 0.000 0.763 215 L CB -0.330 41.778 42.059 0.083 0.000 0.908 215 L HN 0.078 nan 8.230 nan 0.000 0.437 216 F N 0.903 120.854 119.950 0.001 0.000 2.084 216 F HA -0.205 4.322 4.527 -0.000 0.000 0.296 216 F C 2.804 178.598 175.800 -0.009 0.000 1.111 216 F CA 1.605 59.603 58.000 -0.002 0.000 1.224 216 F CB -0.432 38.569 39.000 0.000 0.000 0.991 216 F HN -0.121 nan 8.300 nan 0.000 0.471 217 R N 0.520 120.952 120.500 -0.114 0.000 2.096 217 R HA -0.198 4.142 4.340 -0.001 0.000 0.240 217 R C 2.272 178.446 176.300 -0.210 0.000 1.139 217 R CA 2.228 58.199 56.100 -0.214 0.000 0.952 217 R CB -0.684 29.569 30.300 -0.078 0.000 0.854 217 R HN 0.453 nan 8.270 nan 0.000 0.436 218 L N 0.023 121.172 121.223 -0.124 0.000 2.275 218 L HA -0.107 4.233 4.340 -0.001 0.000 0.215 218 L C 2.583 179.384 176.870 -0.115 0.000 1.119 218 L CA 0.970 55.747 54.840 -0.105 0.000 0.790 218 L CB -0.324 41.700 42.059 -0.058 0.000 0.919 218 L HN 0.288 nan 8.230 nan 0.000 0.443 219 S N -0.659 114.956 115.700 -0.141 0.000 2.357 219 S HA -0.137 4.333 4.470 -0.001 0.000 0.221 219 S C 1.916 176.405 174.600 -0.185 0.000 1.031 219 S CA 0.810 58.937 58.200 -0.123 0.000 0.982 219 S CB 0.031 63.190 63.200 -0.068 0.000 0.853 219 S HN 0.395 nan 8.310 nan 0.000 0.458 220 Q N 0.197 119.791 119.800 -0.343 0.000 2.364 220 Q HA -0.001 4.338 4.340 -0.001 0.000 0.209 220 Q C 1.359 177.252 176.000 -0.179 0.000 0.977 220 Q CA 0.695 56.308 55.803 -0.316 0.000 0.885 220 Q CB -0.258 28.191 28.738 -0.482 0.000 0.941 220 Q HN 0.415 nan 8.270 nan 0.000 0.464 221 L N -1.229 119.904 121.223 -0.151 0.000 2.567 221 L HA 0.162 4.502 4.340 -0.001 0.000 0.225 221 L C 1.306 178.137 176.870 -0.064 0.000 1.119 221 L CA 1.112 55.891 54.840 -0.102 0.000 0.871 221 L CB 0.181 42.172 42.059 -0.113 0.000 1.036 221 L HN 0.324 nan 8.230 nan 0.000 0.459 222 G N -1.513 107.250 108.800 -0.062 0.000 2.163 222 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.213 222 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.213 222 G C 0.073 174.961 174.900 -0.021 0.000 0.991 222 G CA -0.339 44.742 45.100 -0.032 0.000 0.653 222 G HN 0.045 nan 8.290 nan 0.000 0.518 223 L N 1.172 122.376 121.223 -0.032 0.000 2.399 223 L HA 0.541 4.880 4.340 -0.001 0.000 0.266 223 L C 0.357 177.220 176.870 -0.011 0.000 1.114 223 L CA -0.642 54.187 54.840 -0.017 0.000 0.804 223 L CB 1.120 43.163 42.059 -0.026 0.000 1.146 223 L HN 0.274 nan 8.230 nan 0.000 0.451 224 D N 1.039 121.439 120.400 -0.000 0.000 2.402 224 D HA 0.286 4.925 4.640 -0.001 0.000 0.235 224 D C 1.018 177.323 176.300 0.009 0.000 1.226 224 D CA 0.043 54.047 54.000 0.006 0.000 0.918 224 D CB 1.013 41.819 40.800 0.010 0.000 1.043 224 D HN 0.598 nan 8.370 nan 0.000 0.506 225 A N 3.540 126.367 122.820 0.012 0.000 1.986 225 A HA -0.108 4.212 4.320 -0.001 0.000 0.220 225 A C 2.111 179.708 177.584 0.022 0.000 1.171 225 A CA 1.841 53.890 52.037 0.020 0.000 0.640 225 A CB -0.951 18.071 19.000 0.038 0.000 0.811 225 A HN 0.641 nan 8.150 nan 0.000 0.451 226 G N -0.385 108.428 108.800 0.021 0.000 2.421 226 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.216 226 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.216 226 G C 1.640 176.550 174.900 0.016 0.000 1.171 226 G CA 1.436 46.548 45.100 0.020 0.000 0.775 226 G HN 0.568 nan 8.290 nan 0.000 0.543 227 K N -0.039 120.370 120.400 0.014 0.000 2.057 227 K HA 0.045 4.365 4.320 -0.001 0.000 0.206 227 K C 2.312 178.920 176.600 0.012 0.000 1.050 227 K CA 0.654 56.949 56.287 0.013 0.000 0.935 227 K CB -0.405 32.102 32.500 0.012 0.000 0.715 227 K HN 0.209 nan 8.250 nan 0.000 0.439 228 I N 1.392 121.968 120.570 0.011 0.000 2.127 228 I HA -0.258 3.911 4.170 -0.001 0.000 0.241 228 I C 2.173 178.297 176.117 0.012 0.000 1.075 228 I CA 1.545 62.850 61.300 0.009 0.000 1.334 228 I CB -0.547 37.456 38.000 0.005 0.000 1.040 228 I HN 0.168 nan 8.210 nan 0.000 0.405 229 K N 0.463 120.872 120.400 0.016 0.000 2.063 229 K HA -0.248 4.072 4.320 -0.001 0.000 0.208 229 K C 2.157 178.767 176.600 0.016 0.000 1.048 229 K CA 1.768 58.065 56.287 0.018 0.000 0.928 229 K CB -0.402 32.111 32.500 0.021 0.000 0.713 229 K HN 0.427 nan 8.250 nan 0.000 0.442 230 Q N -0.189 119.620 119.800 0.015 0.000 1.993 230 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 230 Q C 1.947 177.956 176.000 0.014 0.000 0.984 230 Q CA 2.114 57.925 55.803 0.014 0.000 0.837 230 Q CB -0.059 28.688 28.738 0.014 0.000 0.902 230 Q HN 0.213 nan 8.270 nan 0.000 0.423 231 V N -0.257 119.665 119.914 0.012 0.000 2.332 231 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 231 V C 1.900 178.000 176.094 0.010 0.000 1.055 231 V CA 1.905 64.212 62.300 0.011 0.000 1.038 231 V CB -1.077 30.752 31.823 0.009 0.000 0.651 231 V HN 0.833 nan 8.190 nan 0.000 0.450 232 G N 0.661 109.467 108.800 0.009 0.000 2.458 232 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.237 232 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.237 232 G C 0.321 175.221 174.900 0.001 0.000 1.113 232 G CA 0.444 45.548 45.100 0.008 0.000 0.655 232 G HN 0.824 nan 8.290 nan 0.000 0.513 233 I N -1.240 119.327 120.570 -0.005 0.000 2.569 233 I HA 0.766 4.936 4.170 -0.001 0.000 0.296 233 I C -0.098 176.006 176.117 -0.021 0.000 1.028 233 I CA -1.619 59.670 61.300 -0.019 0.000 1.082 233 I CB 1.942 39.927 38.000 -0.025 0.000 1.264 233 I HN 0.003 nan 8.210 nan 0.000 0.429 234 I N 5.401 125.951 120.570 -0.034 0.000 2.503 234 I HA 0.294 4.464 4.170 -0.001 0.000 0.277 234 I C -0.517 175.572 176.117 -0.047 0.000 1.078 234 I CA -0.695 60.587 61.300 -0.029 0.000 1.184 234 I CB 0.863 38.847 38.000 -0.026 0.000 1.353 234 I HN 0.888 nan 8.210 nan 0.000 0.490 235 C N 3.923 123.200 119.300 -0.038 0.000 4.395 235 C HA -0.099 4.361 4.460 -0.001 0.000 0.314 235 C C 1.595 176.538 174.990 -0.079 0.000 1.198 235 C CA -0.035 58.957 59.018 -0.043 0.000 2.199 235 C CB -2.471 25.250 27.740 -0.031 0.000 1.280 235 C HN 1.243 nan 8.230 nan 0.000 0.686 236 G N -0.623 108.135 108.800 -0.070 0.000 2.228 236 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.270 236 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.270 236 G C -0.105 174.702 174.900 -0.155 0.000 0.976 236 G CA 1.196 46.242 45.100 -0.089 0.000 0.636 236 G HN 0.867 nan 8.290 nan 0.000 0.542 237 Q N -0.614 119.071 119.800 -0.193 0.000 2.375 237 Q HA 0.457 4.797 4.340 -0.001 0.000 0.271 237 Q C 0.954 176.876 176.000 -0.129 0.000 1.074 237 Q CA 0.013 55.673 55.803 -0.239 0.000 0.808 237 Q CB 1.622 30.079 28.738 -0.469 0.000 1.327 237 Q HN 0.686 nan 8.270 nan 0.000 0.441 238 E N -0.492 119.656 120.200 -0.086 0.000 2.452 238 E HA 0.102 4.452 4.350 -0.001 0.000 0.197 238 E C 0.301 176.895 176.600 -0.010 0.000 1.022 238 E CA -0.073 56.306 56.400 -0.034 0.000 0.890 238 E CB 0.475 30.169 29.700 -0.010 0.000 0.918 238 E HN 0.272 nan 8.360 nan 0.000 0.496 239 S N 1.394 117.083 115.700 -0.018 0.000 2.537 239 S HA 0.009 4.478 4.470 -0.001 0.000 0.286 239 S C 1.041 175.659 174.600 0.030 0.000 1.299 239 S CA 0.341 58.562 58.200 0.034 0.000 1.067 239 S CB 0.867 64.094 63.200 0.045 0.000 0.864 239 S HN 0.404 nan 8.310 nan 0.000 0.494 240 T N 2.868 117.461 114.554 0.065 0.000 3.086 240 T HA 0.315 4.664 4.350 -0.001 0.000 0.250 240 T C 0.479 175.179 174.700 -0.000 0.000 1.074 240 T CA -0.090 62.025 62.100 0.025 0.000 0.988 240 T CB -0.039 68.846 68.868 0.027 0.000 0.988 240 T HN 0.567 nan 8.240 nan 0.000 0.530 241 R N 0.919 121.442 120.500 0.039 0.000 2.532 241 R HA 0.715 5.055 4.340 -0.001 0.000 0.297 241 R C -0.868 175.488 176.300 0.095 0.000 0.984 241 R CA -0.710 55.398 56.100 0.013 0.000 0.884 241 R CB 2.170 32.416 30.300 -0.090 0.000 1.182 241 R HN 0.225 nan 8.270 nan 0.000 0.442 242 R N 2.319 122.875 120.500 0.092 0.000 2.739 242 R HA 0.533 4.873 4.340 -0.001 0.000 0.271 242 R C -0.727 175.641 176.300 0.113 0.000 1.010 242 R CA -0.913 55.273 56.100 0.144 0.000 0.897 242 R CB 1.914 32.325 30.300 0.186 0.000 1.236 242 R HN 0.390 nan 8.270 nan 0.000 0.466 243 I N 1.326 121.957 120.570 0.102 0.000 2.412 243 I HA 0.480 4.649 4.170 -0.001 0.000 0.296 243 I C 0.965 177.016 176.117 -0.110 0.000 0.987 243 I CA 0.143 61.465 61.300 0.038 0.000 1.180 243 I CB 1.647 39.683 38.000 0.060 0.000 1.340 243 I HN 0.939 nan 8.210 nan 0.000 0.455 244 G N 4.775 113.491 108.800 -0.140 0.000 2.528 244 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.262 244 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.262 244 G C -0.100 174.775 174.900 -0.041 0.000 1.200 244 G CA 0.243 45.197 45.100 -0.242 0.000 0.951 244 G HN 0.942 nan 8.290 nan 0.000 0.566 245 D N -1.574 118.802 120.400 -0.039 0.000 3.187 245 D HA -0.142 4.497 4.640 -0.001 0.000 0.244 245 D C 0.872 177.166 176.300 -0.010 0.000 1.114 245 D CA 1.685 55.682 54.000 -0.005 0.000 0.920 245 D CB -1.315 39.523 40.800 0.063 0.000 0.970 245 D HN 1.579 nan 8.370 nan 0.000 0.418 246 Y N 1.284 121.595 120.300 0.019 0.000 2.256 246 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 246 Y C 2.038 177.945 175.900 0.011 0.000 1.155 246 Y CA 1.670 59.721 58.100 -0.082 0.000 1.203 246 Y CB -0.312 38.161 38.460 0.021 0.000 0.980 246 Y HN 0.176 nan 8.280 nan 0.000 0.530 247 K N 0.414 120.225 120.400 -0.981 0.000 2.044 247 K HA -0.161 4.159 4.320 -0.001 0.000 0.210 247 K C 2.121 178.625 176.600 -0.160 0.000 1.049 247 K CA 1.816 57.735 56.287 -0.613 0.000 0.927 247 K CB -0.642 31.564 32.500 -0.490 0.000 0.713 247 K HN 0.364 nan 8.250 nan 0.000 0.443 248 V N 1.284 121.147 119.914 -0.086 0.000 3.052 248 V HA -0.067 4.053 4.120 -0.001 0.000 0.254 248 V C 1.684 177.855 176.094 0.127 0.000 1.100 248 V CA 1.145 63.471 62.300 0.043 0.000 1.112 248 V CB -0.067 31.774 31.823 0.031 0.000 0.738 248 V HN 0.205 nan 8.190 nan 0.000 0.469 249 K N -0.871 119.545 120.400 0.028 0.000 2.186 249 K HA 0.007 4.327 4.320 -0.001 0.000 0.202 249 K C 1.680 178.389 176.600 0.182 0.000 1.052 249 K CA 1.459 57.758 56.287 0.021 0.000 0.965 249 K CB -0.076 32.284 32.500 -0.234 0.000 0.746 249 K HN 0.614 nan 8.250 nan 0.000 0.457 250 Y N -0.709 119.695 120.300 0.173 0.000 2.539 250 Y HA 0.156 4.706 4.550 -0.000 0.000 0.284 250 Y C 1.830 177.696 175.900 -0.057 0.000 1.134 250 Y CA -0.052 58.099 58.100 0.085 0.000 1.251 250 Y CB 0.553 39.084 38.460 0.119 0.000 1.260 250 Y HN -0.008 nan 8.280 nan 0.000 0.528 251 G N -0.355 108.528 108.800 0.138 0.000 3.949 251 G HA2 0.049 4.009 3.960 -0.001 0.000 0.295 251 G HA3 0.049 4.009 3.960 -0.001 0.000 0.295 251 G C 0.335 175.226 174.900 -0.016 0.000 1.286 251 G CA -0.276 44.825 45.100 0.002 0.000 1.171 251 G HN 0.501 nan 8.290 nan 0.000 0.586 252 Y N -1.794 118.535 120.300 0.047 0.000 2.475 252 Y HA 0.052 4.602 4.550 -0.001 0.000 0.289 252 Y C 2.241 178.154 175.900 0.022 0.000 1.121 252 Y CA 0.794 58.907 58.100 0.022 0.000 1.257 252 Y CB -0.702 37.770 38.460 0.019 0.000 1.026 252 Y HN 0.055 nan 8.280 nan 0.000 0.555 253 T N 0.681 115.006 114.554 -0.382 0.000 2.699 253 T HA -0.200 4.150 4.350 -0.001 0.000 0.268 253 T C 0.679 175.357 174.700 -0.037 0.000 1.036 253 T CA 1.931 63.916 62.100 -0.192 0.000 1.147 253 T CB -0.443 68.268 68.868 -0.262 0.000 0.862 253 T HN 0.507 nan 8.240 nan 0.000 0.446 254 D N 1.034 121.409 120.400 -0.041 0.000 2.690 254 D HA 0.227 4.867 4.640 -0.001 0.000 0.236 254 D C -0.091 176.222 176.300 0.021 0.000 1.218 254 D CA 0.144 54.140 54.000 -0.006 0.000 0.829 254 D CB -0.078 40.713 40.800 -0.014 0.000 1.009 254 D HN 0.436 nan 8.370 nan 0.000 0.482 255 I N 1.151 121.750 120.570 0.049 0.000 2.698 255 I HA 0.004 4.174 4.170 -0.001 0.000 0.276 255 I C 0.694 176.841 176.117 0.050 0.000 1.166 255 I CA -0.541 60.789 61.300 0.050 0.000 1.101 255 I CB 1.141 39.181 38.000 0.066 0.000 1.305 255 I HN -0.288 nan 8.210 nan 0.000 0.526 256 D N 3.031 123.452 120.400 0.034 0.000 1.880 256 D HA -0.321 4.318 4.640 -0.001 0.000 0.613 256 D C 1.795 178.115 176.300 0.033 0.000 0.646 256 D CA 2.229 56.247 54.000 0.029 0.000 1.702 256 D CB -0.321 40.491 40.800 0.021 0.000 0.194 256 D HN 0.448 nan 8.370 nan 0.000 0.255 257 L N 0.316 121.555 121.223 0.027 0.000 2.137 257 L HA -0.193 4.147 4.340 -0.001 0.000 0.213 257 L C 2.607 179.494 176.870 0.029 0.000 1.085 257 L CA 1.075 55.928 54.840 0.022 0.000 0.760 257 L CB -0.383 41.685 42.059 0.014 0.000 0.893 257 L HN 0.186 nan 8.230 nan 0.000 0.434 258 L N -2.146 119.108 121.223 0.051 0.000 2.513 258 L HA 0.061 4.401 4.340 -0.001 0.000 0.222 258 L C 2.455 179.407 176.870 0.136 0.000 1.096 258 L CA -0.101 54.786 54.840 0.078 0.000 0.857 258 L CB -0.299 41.825 42.059 0.108 0.000 1.026 258 L HN 0.061 nan 8.230 nan 0.000 0.469 259 S N 1.492 117.254 115.700 0.104 0.000 2.408 259 S HA -0.352 4.118 4.470 -0.001 0.000 0.241 259 S C 2.081 176.738 174.600 0.094 0.000 1.080 259 S CA 2.017 60.271 58.200 0.090 0.000 1.109 259 S CB -0.372 62.858 63.200 0.050 0.000 0.966 259 S HN 0.585 nan 8.310 nan 0.000 0.449 260 A N 0.976 123.839 122.820 0.072 0.000 2.208 260 A HA 0.572 4.891 4.320 -0.001 0.000 0.209 260 A C 1.070 178.694 177.584 0.067 0.000 1.161 260 A CA 0.507 52.578 52.037 0.057 0.000 0.782 260 A CB -0.581 18.437 19.000 0.031 0.000 0.816 260 A HN 0.556 nan 8.150 nan 0.000 0.477 261 A N 0.427 123.303 122.820 0.092 0.000 2.567 261 A HA 0.198 4.518 4.320 -0.001 0.000 0.240 261 A C 1.044 178.694 177.584 0.110 0.000 1.053 261 A CA 0.422 52.491 52.037 0.054 0.000 0.755 261 A CB 0.096 19.062 19.000 -0.056 0.000 0.978 261 A HN 0.510 nan 8.150 nan 0.000 0.507 262 K N 0.974 121.397 120.400 0.040 0.000 2.243 262 K HA 0.036 4.355 4.320 -0.001 0.000 0.201 262 K C 0.653 177.298 176.600 0.075 0.000 1.051 262 K CA 1.207 57.526 56.287 0.053 0.000 0.970 262 K CB -0.028 32.478 32.500 0.011 0.000 0.755 262 K HN 0.871 nan 8.250 nan 0.000 0.465 263 S N -0.167 115.543 115.700 0.016 0.000 2.705 263 S HA 0.323 4.792 4.470 -0.001 0.000 0.280 263 S C -1.236 173.222 174.600 -0.237 0.000 1.174 263 S CA -1.236 56.968 58.200 0.007 0.000 0.823 263 S CB 1.302 64.495 63.200 -0.011 0.000 1.162 263 S HN -0.042 nan 8.310 nan 0.000 0.487 264 K N 1.766 122.020 120.400 -0.244 0.000 2.440 264 K HA 0.088 4.408 4.320 -0.001 0.000 0.275 264 K C -1.865 174.489 176.600 -0.409 0.000 1.082 264 K CA -0.687 55.308 56.287 -0.486 0.000 1.135 264 K CB -0.061 32.353 32.500 -0.144 0.000 0.864 264 K HN 0.374 nan 8.250 nan 0.000 0.479 265 P HA -0.099 nan 4.420 nan 0.000 0.215 265 P C 0.068 177.258 177.300 -0.182 0.000 1.157 265 P CA 0.945 63.873 63.100 -0.286 0.000 0.859 265 P CB 0.262 31.805 31.700 -0.262 0.000 0.786 266 I N 1.601 122.072 120.570 -0.165 0.000 2.301 266 I HA 0.188 4.357 4.170 -0.001 0.000 0.292 266 I C 0.820 176.895 176.117 -0.071 0.000 1.046 266 I CA -1.048 60.200 61.300 -0.086 0.000 1.282 266 I CB -0.496 37.479 38.000 -0.041 0.000 1.409 266 I HN -0.030 nan 8.210 nan 0.000 0.484 267 I N 2.113 122.644 120.570 -0.066 0.000 3.076 267 I HA 0.825 4.994 4.170 -0.001 0.000 0.313 267 I C 0.612 176.722 176.117 -0.011 0.000 1.053 267 I CA -0.854 60.420 61.300 -0.043 0.000 1.048 267 I CB 2.047 40.010 38.000 -0.063 0.000 1.264 267 I HN 0.417 nan 8.210 nan 0.000 0.498 268 A N 1.294 124.128 122.820 0.023 0.000 2.538 268 A HA 0.228 4.548 4.320 -0.001 0.000 0.269 268 A C 0.553 178.186 177.584 0.082 0.000 1.231 268 A CA -0.176 51.908 52.037 0.078 0.000 0.948 268 A CB -0.325 18.746 19.000 0.118 0.000 1.110 268 A HN 0.825 nan 8.150 nan 0.000 0.529 269 E N 2.215 122.420 120.200 0.008 0.000 2.338 269 E HA 0.251 4.601 4.350 -0.001 0.000 0.272 269 E C -2.351 174.180 176.600 -0.114 0.000 1.029 269 E CA -1.901 54.484 56.400 -0.025 0.000 0.872 269 E CB 1.157 30.833 29.700 -0.040 0.000 1.015 269 E HN 0.256 nan 8.360 nan 0.000 0.417 270 P HA 0.132 nan 4.420 nan 0.000 0.278 270 P C -1.137 176.049 177.300 -0.190 0.000 1.258 270 P CA -0.297 62.605 63.100 -0.330 0.000 0.811 270 P CB 0.983 32.176 31.700 -0.845 0.000 1.063 271 E N 1.164 121.307 120.200 -0.095 0.000 2.151 271 E HA 0.391 4.740 4.350 -0.001 0.000 0.275 271 E C -0.695 175.756 176.600 -0.250 0.000 0.936 271 E CA -0.725 55.601 56.400 -0.123 0.000 0.777 271 E CB 0.645 30.384 29.700 0.064 0.000 1.108 271 E HN 0.261 nan 8.360 nan 0.000 0.401 272 I N 4.581 124.975 120.570 -0.293 0.000 2.377 272 I HA 0.249 4.419 4.170 -0.001 0.000 0.293 272 I C -0.156 175.781 176.117 -0.300 0.000 0.987 272 I CA -0.617 60.570 61.300 -0.189 0.000 1.185 272 I CB 1.091 39.051 38.000 -0.066 0.000 1.341 272 I HN 0.558 nan 8.210 nan 0.000 0.455 273 H N 3.969 123.087 119.070 0.080 0.000 2.476 273 H HA 0.273 4.829 4.556 -0.001 0.000 0.328 273 H C 0.712 176.089 175.328 0.082 0.000 1.073 273 H CA -0.446 55.639 56.048 0.062 0.000 1.229 273 H CB 1.827 31.607 29.762 0.031 0.000 1.432 273 H HN 0.831 nan 8.280 nan 0.000 0.477 274 G N 1.955 110.844 108.800 0.147 0.000 2.391 274 G HA2 0.016 3.975 3.960 -0.001 0.000 0.231 274 G HA3 0.016 3.975 3.960 -0.001 0.000 0.231 274 G C 0.449 175.359 174.900 0.017 0.000 1.107 274 G CA 0.117 45.275 45.100 0.097 0.000 0.863 274 G HN 0.830 nan 8.290 nan 0.000 0.482 275 A N 2.298 125.085 122.820 -0.055 0.000 2.561 275 A HA 0.357 4.677 4.320 -0.001 0.000 0.234 275 A C 0.656 178.090 177.584 -0.251 0.000 1.055 275 A CA 0.406 52.200 52.037 -0.405 0.000 0.756 275 A CB 0.296 19.058 19.000 -0.396 0.000 0.986 275 A HN 0.632 nan 8.150 nan 0.000 0.505 276 Q N 1.896 121.517 119.800 -0.298 0.000 2.348 276 Q HA 0.363 4.703 4.340 -0.001 0.000 0.265 276 Q C -2.596 173.274 176.000 -0.217 0.000 0.998 276 Q CA -1.715 53.966 55.803 -0.204 0.000 0.831 276 Q CB 1.740 30.369 28.738 -0.182 0.000 1.251 276 Q HN 0.461 nan 8.270 nan 0.000 0.456 277 P HA 0.179 nan 4.420 nan 0.000 0.275 277 P C 0.130 177.317 177.300 -0.189 0.000 1.227 277 P CA -0.076 62.934 63.100 -0.151 0.000 0.781 277 P CB 0.836 32.474 31.700 -0.104 0.000 0.906 278 L N 0.600 121.701 121.223 -0.204 0.000 2.906 278 L HA 0.216 4.556 4.340 -0.001 0.000 0.255 278 L C 0.053 176.809 176.870 -0.190 0.000 1.166 278 L CA -0.108 54.560 54.840 -0.287 0.000 0.977 278 L CB 0.144 41.916 42.059 -0.478 0.000 1.313 278 L HN 0.269 nan 8.230 nan 0.000 0.549 279 D N 1.510 121.842 120.400 -0.113 0.000 2.450 279 D HA 0.193 4.832 4.640 -0.001 0.000 0.247 279 D C 1.283 177.547 176.300 -0.060 0.000 1.162 279 D CA 1.234 55.196 54.000 -0.063 0.000 0.879 279 D CB 1.151 41.928 40.800 -0.038 0.000 1.163 279 D HN 0.311 nan 8.370 nan 0.000 0.472 280 G N 1.763 110.541 108.800 -0.037 0.000 2.203 280 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.263 280 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.263 280 G C 0.299 175.173 174.900 -0.043 0.000 1.012 280 G CA 0.317 45.401 45.100 -0.028 0.000 0.749 280 G HN 0.466 nan 8.290 nan 0.000 0.512 281 V N 0.131 120.001 119.914 -0.073 0.000 2.539 281 V HA 0.718 4.838 4.120 -0.001 0.000 0.292 281 V C 0.548 176.619 176.094 -0.039 0.000 1.045 281 V CA -0.017 62.226 62.300 -0.096 0.000 0.945 281 V CB 1.900 33.608 31.823 -0.193 0.000 0.993 281 V HN 0.253 nan 8.190 nan 0.000 0.464 282 T N 3.431 117.974 114.554 -0.017 0.000 2.840 282 T HA 0.781 5.131 4.350 -0.001 0.000 0.287 282 T C 0.252 174.962 174.700 0.017 0.000 0.991 282 T CA 0.327 62.461 62.100 0.058 0.000 0.964 282 T CB 1.360 70.277 68.868 0.081 0.000 0.954 282 T HN 1.230 nan 8.240 nan 0.000 0.438 283 G N 2.579 111.401 108.800 0.037 0.000 2.452 283 G HA2 0.519 4.479 3.960 -0.001 0.000 0.224 283 G HA3 0.519 4.479 3.960 -0.001 0.000 0.224 283 G C -2.117 172.735 174.900 -0.080 0.000 1.208 283 G CA -0.571 44.371 45.100 -0.263 0.000 0.946 283 G HN 0.796 nan 8.290 nan 0.000 0.481 284 F N -1.550 118.302 119.950 -0.163 0.000 2.686 284 F HA 0.861 5.388 4.527 -0.001 0.000 0.311 284 F C -1.321 174.470 175.800 -0.016 0.000 1.128 284 F CA -1.465 56.458 58.000 -0.129 0.000 0.946 284 F CB 1.648 40.506 39.000 -0.236 0.000 1.336 284 F HN 0.667 nan 8.300 nan 0.000 0.457 285 L N 2.290 123.604 121.223 0.151 0.000 2.317 285 L HA 0.867 5.207 4.340 -0.001 0.000 0.281 285 L C -1.416 175.506 176.870 0.087 0.000 1.024 285 L CA -0.734 54.178 54.840 0.119 0.000 0.810 285 L CB 1.807 43.948 42.059 0.137 0.000 1.240 285 L HN 0.622 nan 8.230 nan 0.000 0.427 286 V N 6.316 126.274 119.914 0.073 0.000 2.487 286 V HA 0.483 4.602 4.120 -0.001 0.000 0.298 286 V C -0.293 175.800 176.094 -0.003 0.000 1.028 286 V CA -0.523 61.804 62.300 0.046 0.000 0.860 286 V CB 1.620 33.500 31.823 0.095 0.000 0.991 286 V HN 0.621 nan 8.190 nan 0.000 0.427 287 L N 6.617 127.822 121.223 -0.030 0.000 2.341 287 L HA 0.777 5.117 4.340 -0.001 0.000 0.278 287 L C -0.351 176.510 176.870 -0.014 0.000 1.005 287 L CA -0.438 54.392 54.840 -0.017 0.000 0.818 287 L CB 1.686 43.733 42.059 -0.021 0.000 1.259 287 L HN 0.736 nan 8.230 nan 0.000 0.418 288 M N 1.335 120.949 119.600 0.023 0.000 2.470 288 M HA 0.593 5.073 4.480 -0.001 0.000 0.285 288 M C -0.579 175.780 176.300 0.098 0.000 1.213 288 M CA -0.608 54.721 55.300 0.048 0.000 0.901 288 M CB 2.357 35.000 32.600 0.072 0.000 1.718 288 M HN 0.443 nan 8.290 nan 0.000 0.469 289 S N -0.169 115.572 115.700 0.069 0.000 2.632 289 S HA 0.240 4.710 4.470 -0.001 0.000 0.271 289 S C 0.653 175.240 174.600 -0.021 0.000 1.260 289 S CA -0.188 58.047 58.200 0.059 0.000 1.010 289 S CB 1.655 64.886 63.200 0.052 0.000 0.965 289 S HN 0.984 nan 8.310 nan 0.000 0.534 290 E N 1.842 121.987 120.200 -0.091 0.000 2.130 290 E HA -0.175 4.175 4.350 -0.001 0.000 0.196 290 E C 1.984 178.250 176.600 -0.558 0.000 0.998 290 E CA 1.448 57.576 56.400 -0.452 0.000 0.806 290 E CB -0.945 28.634 29.700 -0.203 0.000 0.738 290 E HN 0.936 nan 8.360 nan 0.000 0.459 291 G N 1.202 109.856 108.800 -0.243 0.000 2.442 291 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.219 291 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.219 291 G C 1.469 176.246 174.900 -0.205 0.000 1.141 291 G CA 0.853 45.845 45.100 -0.181 0.000 0.763 291 G HN 0.275 nan 8.290 nan 0.000 0.554 292 L N 0.421 121.540 121.223 -0.174 0.000 1.988 292 L HA -0.002 4.337 4.340 -0.001 0.000 0.207 292 L C 2.767 179.584 176.870 -0.088 0.000 1.071 292 L CA 2.104 56.873 54.840 -0.119 0.000 0.744 292 L CB -1.036 40.995 42.059 -0.047 0.000 0.893 292 L HN 0.500 nan 8.230 nan 0.000 0.433 293 Y N -1.301 118.978 120.300 -0.035 0.000 2.293 293 Y HA -0.054 4.496 4.550 -0.001 0.000 0.291 293 Y C 2.230 178.119 175.900 -0.018 0.000 1.137 293 Y CA 1.212 59.295 58.100 -0.028 0.000 1.202 293 Y CB -1.031 37.416 38.460 -0.022 0.000 0.990 293 Y HN 0.035 nan 8.280 nan 0.000 0.537 294 K N 1.307 121.464 120.400 -0.405 0.000 2.097 294 K HA -0.042 4.278 4.320 -0.001 0.000 0.206 294 K C 2.369 178.949 176.600 -0.032 0.000 1.049 294 K CA 1.454 57.634 56.287 -0.179 0.000 0.933 294 K CB -0.839 31.498 32.500 -0.271 0.000 0.717 294 K HN 0.515 nan 8.250 nan 0.000 0.442 295 A N 0.203 122.984 122.820 -0.065 0.000 1.898 295 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 295 A C 2.021 179.658 177.584 0.088 0.000 1.181 295 A CA 1.160 53.203 52.037 0.011 0.000 0.620 295 A CB -0.588 18.279 19.000 -0.221 0.000 0.819 295 A HN 0.235 nan 8.150 nan 0.000 0.442 296 L N 0.414 121.641 121.223 0.007 0.000 2.017 296 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 296 L C 2.205 179.084 176.870 0.014 0.000 1.073 296 L CA 2.315 57.132 54.840 -0.039 0.000 0.745 296 L CB -0.829 41.220 42.059 -0.017 0.000 0.894 296 L HN 0.528 nan 8.230 nan 0.000 0.432 297 E N -0.888 119.357 120.200 0.075 0.000 2.150 297 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 297 E C 2.105 178.740 176.600 0.058 0.000 0.985 297 E CA 0.913 57.361 56.400 0.080 0.000 0.814 297 E CB -0.209 29.549 29.700 0.096 0.000 0.752 297 E HN 0.609 nan 8.360 nan 0.000 0.466 298 A N 1.322 124.193 122.820 0.085 0.000 1.972 298 A HA -0.053 4.267 4.320 -0.001 0.000 0.219 298 A C 2.286 179.958 177.584 0.148 0.000 1.169 298 A CA 1.600 53.704 52.037 0.111 0.000 0.635 298 A CB -0.276 18.854 19.000 0.218 0.000 0.810 298 A HN 0.281 nan 8.150 nan 0.000 0.446 299 A N -1.764 121.127 122.820 0.119 0.000 1.943 299 A HA 0.052 4.371 4.320 -0.001 0.000 0.213 299 A C 1.809 179.532 177.584 0.233 0.000 1.181 299 A CA 1.080 53.186 52.037 0.115 0.000 0.653 299 A CB -0.513 18.487 19.000 0.001 0.000 0.833 299 A HN 0.697 nan 8.150 nan 0.000 0.451 300 H N -1.207 117.902 119.070 0.066 0.000 2.622 300 H HA 0.383 4.939 4.556 -0.001 0.000 0.269 300 H C 0.978 176.321 175.328 0.026 0.000 0.977 300 H CA -0.156 55.919 56.048 0.045 0.000 1.179 300 H CB 0.442 30.227 29.762 0.039 0.000 1.458 300 H HN 0.691 nan 8.280 nan 0.000 0.531 301 G N 1.506 110.381 108.800 0.124 0.000 2.663 301 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.686 301 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.686 301 G C -2.832 172.076 174.900 0.013 0.000 1.288 301 G CA -1.403 43.713 45.100 0.027 0.000 0.836 301 G HN -0.072 nan 8.290 nan 0.000 0.584 302 P HA 0.293 nan 4.420 nan 0.000 0.261 302 P C 1.216 178.515 177.300 -0.002 0.000 1.165 302 P CA 2.311 65.397 63.100 -0.022 0.000 0.759 302 P CB 0.389 32.066 31.700 -0.039 0.000 0.772 303 G N 2.711 111.512 108.800 0.002 0.000 2.180 303 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.263 303 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.263 303 G C 0.748 175.644 174.900 -0.006 0.000 0.989 303 G CA 0.542 45.636 45.100 -0.009 0.000 0.692 303 G HN 0.654 nan 8.290 nan 0.000 0.526 304 Q N -0.930 118.883 119.800 0.021 0.000 2.247 304 Q HA 0.585 4.924 4.340 -0.001 0.000 0.211 304 Q C 2.238 178.259 176.000 0.035 0.000 0.861 304 Q CA 1.008 56.825 55.803 0.025 0.000 0.949 304 Q CB -0.252 28.511 28.738 0.042 0.000 1.115 304 Q HN 0.900 nan 8.270 nan 0.000 0.507 305 A N 2.833 125.678 122.820 0.042 0.000 1.903 305 A HA -0.307 4.013 4.320 -0.001 0.000 0.219 305 A C 1.844 179.436 177.584 0.013 0.000 1.191 305 A CA 2.125 54.194 52.037 0.053 0.000 0.638 305 A CB -0.644 18.419 19.000 0.105 0.000 0.823 305 A HN 0.390 nan 8.150 nan 0.000 0.451 306 N N -0.196 118.477 118.700 -0.044 0.000 2.069 306 N HA -0.159 4.581 4.740 -0.001 0.000 0.191 306 N C 1.837 177.337 175.510 -0.016 0.000 1.031 306 N CA 1.632 54.651 53.050 -0.052 0.000 0.852 306 N CB -0.488 37.941 38.487 -0.097 0.000 1.018 306 N HN 0.536 nan 8.380 nan 0.000 0.423 307 Q N 1.130 120.923 119.800 -0.011 0.000 2.079 307 Q HA -0.052 4.288 4.340 -0.001 0.000 0.200 307 Q C 1.911 177.929 176.000 0.031 0.000 0.974 307 Q CA 1.019 56.823 55.803 0.002 0.000 0.840 307 Q CB -0.321 28.416 28.738 -0.003 0.000 0.898 307 Q HN 0.581 nan 8.270 nan 0.000 0.430 308 E N 0.415 120.643 120.200 0.047 0.000 2.017 308 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 308 E C 2.202 178.840 176.600 0.064 0.000 0.997 308 E CA 0.888 57.331 56.400 0.071 0.000 0.804 308 E CB -0.220 29.548 29.700 0.113 0.000 0.757 308 E HN 0.247 nan 8.360 nan 0.000 0.448 309 I N 1.369 121.972 120.570 0.054 0.000 2.194 309 I HA -0.315 3.855 4.170 -0.001 0.000 0.246 309 I C 2.512 178.672 176.117 0.072 0.000 1.093 309 I CA 1.304 62.633 61.300 0.049 0.000 1.355 309 I CB -0.264 37.762 38.000 0.044 0.000 1.046 309 I HN 0.091 nan 8.210 nan 0.000 0.413 310 A N 0.260 123.133 122.820 0.087 0.000 1.972 310 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 310 A C 2.490 180.175 177.584 0.167 0.000 1.169 310 A CA 1.771 53.905 52.037 0.161 0.000 0.635 310 A CB -0.812 18.245 19.000 0.094 0.000 0.810 310 A HN 0.441 nan 8.150 nan 0.000 0.446 311 A N -0.526 122.356 122.820 0.103 0.000 1.897 311 A HA -0.047 4.273 4.320 -0.001 0.000 0.215 311 A C 2.225 179.864 177.584 0.092 0.000 1.181 311 A CA 1.651 53.746 52.037 0.096 0.000 0.620 311 A CB -0.515 18.526 19.000 0.068 0.000 0.821 311 A HN 0.508 nan 8.150 nan 0.000 0.443 312 M N -0.605 119.037 119.600 0.070 0.000 2.108 312 M HA -0.119 4.361 4.480 -0.001 0.000 0.261 312 M C 2.033 178.353 176.300 0.033 0.000 1.066 312 M CA 1.627 56.954 55.300 0.045 0.000 1.107 312 M CB -0.547 32.068 32.600 0.025 0.000 1.356 312 M HN 0.378 nan 8.290 nan 0.000 0.406 313 I N -0.086 120.502 120.570 0.029 0.000 2.286 313 I HA -0.286 3.884 4.170 -0.001 0.000 0.248 313 I C 2.157 178.323 176.117 0.082 0.000 1.115 313 I CA 1.024 62.303 61.300 -0.036 0.000 1.392 313 I CB -0.504 37.407 38.000 -0.148 0.000 1.065 313 I HN 0.292 nan 8.210 nan 0.000 0.418 314 D N 0.705 121.203 120.400 0.163 0.000 2.092 314 D HA -0.171 4.469 4.640 -0.001 0.000 0.193 314 D C 2.142 178.589 176.300 0.244 0.000 0.994 314 D CA 1.838 56.000 54.000 0.271 0.000 0.828 314 D CB -0.095 40.849 40.800 0.241 0.000 0.963 314 D HN 0.178 nan 8.370 nan 0.000 0.450 315 T N 0.966 115.607 114.554 0.145 0.000 2.652 315 T HA -0.146 4.203 4.350 -0.001 0.000 0.267 315 T C 1.622 176.370 174.700 0.080 0.000 1.039 315 T CA 1.376 63.534 62.100 0.097 0.000 1.153 315 T CB -0.247 68.656 68.868 0.059 0.000 0.863 315 T HN 0.178 nan 8.240 nan 0.000 0.428 316 E N 0.537 120.760 120.200 0.040 0.000 2.204 316 E HA -0.028 4.321 4.350 -0.001 0.000 0.195 316 E C 1.852 178.426 176.600 -0.043 0.000 0.990 316 E CA 0.636 57.015 56.400 -0.035 0.000 0.821 316 E CB -0.509 29.122 29.700 -0.116 0.000 0.750 316 E HN 0.534 nan 8.360 nan 0.000 0.477 317 F N 1.075 120.991 119.950 -0.057 0.000 2.202 317 F HA -0.197 4.330 4.527 -0.001 0.000 0.301 317 F C 2.305 178.083 175.800 -0.036 0.000 1.082 317 F CA 1.273 59.250 58.000 -0.038 0.000 1.313 317 F CB -0.065 38.983 39.000 0.081 0.000 1.024 317 F HN 0.024 nan 8.300 nan 0.000 0.495 318 A N -1.116 121.794 122.820 0.150 0.000 2.072 318 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 318 A C 2.107 179.702 177.584 0.019 0.000 1.156 318 A CA 1.204 53.280 52.037 0.064 0.000 0.701 318 A CB -0.344 18.684 19.000 0.048 0.000 0.816 318 A HN 0.353 nan 8.150 nan 0.000 0.458 319 K N -1.021 119.379 120.400 0.001 0.000 2.244 319 K HA 0.060 4.380 4.320 -0.001 0.000 0.200 319 K C 0.385 176.958 176.600 -0.045 0.000 1.052 319 K CA 0.062 56.336 56.287 -0.020 0.000 0.980 319 K CB 0.024 32.513 32.500 -0.020 0.000 0.838 319 K HN 0.345 nan 8.250 nan 0.000 0.481 320 Q N 0.375 120.127 119.800 -0.079 0.000 2.318 320 Q HA 0.047 4.386 4.340 -0.001 0.000 0.222 320 Q C 0.671 176.612 176.000 -0.100 0.000 1.003 320 Q CA 0.535 56.275 55.803 -0.105 0.000 0.936 320 Q CB 1.421 30.062 28.738 -0.162 0.000 1.204 320 Q HN 0.310 nan 8.270 nan 0.000 0.524 321 T N -3.847 110.651 114.554 -0.094 0.000 3.084 321 T HA 0.267 4.617 4.350 -0.001 0.000 0.270 321 T C 0.292 174.941 174.700 -0.085 0.000 1.008 321 T CA 0.069 62.125 62.100 -0.074 0.000 0.900 321 T CB 0.092 68.931 68.868 -0.048 0.000 1.084 321 T HN 0.471 nan 8.240 nan 0.000 0.538 322 S N -0.135 115.489 115.700 -0.128 0.000 2.550 322 S HA 0.553 5.022 4.470 -0.001 0.000 0.270 322 S C 0.371 174.840 174.600 -0.218 0.000 1.145 322 S CA -0.994 57.127 58.200 -0.133 0.000 0.852 322 S CB 0.964 64.107 63.200 -0.096 0.000 1.119 322 S HN 0.076 nan 8.310 nan 0.000 0.465 323 L N 1.044 122.131 121.223 -0.228 0.000 2.201 323 L HA -0.016 4.324 4.340 -0.001 0.000 0.212 323 L C 1.878 178.575 176.870 -0.287 0.000 1.105 323 L CA 1.111 55.757 54.840 -0.324 0.000 0.775 323 L CB -0.498 41.400 42.059 -0.270 0.000 0.913 323 L HN 0.727 nan 8.230 nan 0.000 0.440 324 D N 0.494 120.768 120.400 -0.210 0.000 2.097 324 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 324 D C 2.251 178.435 176.300 -0.194 0.000 0.984 324 D CA 1.538 55.421 54.000 -0.195 0.000 0.826 324 D CB 0.137 40.854 40.800 -0.138 0.000 0.973 324 D HN 0.330 nan 8.370 nan 0.000 0.460 325 A N 1.046 123.761 122.820 -0.175 0.000 1.933 325 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 325 A C 2.569 180.031 177.584 -0.203 0.000 1.175 325 A CA 0.926 52.868 52.037 -0.160 0.000 0.628 325 A CB -0.692 18.230 19.000 -0.130 0.000 0.814 325 A HN 0.104 nan 8.150 nan 0.000 0.444 326 V N -0.090 119.653 119.914 -0.286 0.000 2.255 326 V HA -0.286 3.834 4.120 -0.001 0.000 0.247 326 V C 3.084 179.004 176.094 -0.290 0.000 1.051 326 V CA 2.134 64.219 62.300 -0.359 0.000 1.018 326 V CB -1.306 30.133 31.823 -0.641 0.000 0.641 326 V HN 0.615 nan 8.190 nan 0.000 0.445 327 A N -0.648 121.996 122.820 -0.294 0.000 1.902 327 A HA -0.298 4.021 4.320 -0.001 0.000 0.217 327 A C 2.171 179.637 177.584 -0.198 0.000 1.181 327 A CA 2.223 54.112 52.037 -0.247 0.000 0.623 327 A CB -0.582 18.255 19.000 -0.271 0.000 0.818 327 A HN 0.548 nan 8.150 nan 0.000 0.443 328 Q N -0.253 119.435 119.800 -0.187 0.000 2.167 328 Q HA 0.033 4.373 4.340 -0.001 0.000 0.202 328 Q C 1.987 177.918 176.000 -0.116 0.000 0.970 328 Q CA 1.847 57.563 55.803 -0.146 0.000 0.855 328 Q CB -0.569 28.093 28.738 -0.128 0.000 0.911 328 Q HN 0.560 nan 8.270 nan 0.000 0.438 329 A N -0.669 122.079 122.820 -0.120 0.000 1.902 329 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 329 A C 2.228 179.762 177.584 -0.084 0.000 1.181 329 A CA 1.621 53.602 52.037 -0.093 0.000 0.623 329 A CB -0.794 18.148 19.000 -0.096 0.000 0.818 329 A HN 0.265 nan 8.150 nan 0.000 0.443 330 V N -0.407 119.447 119.914 -0.100 0.000 2.343 330 V HA -0.214 3.905 4.120 -0.001 0.000 0.247 330 V C 2.562 178.608 176.094 -0.079 0.000 1.051 330 V CA 1.897 64.149 62.300 -0.080 0.000 1.036 330 V CB -0.718 31.053 31.823 -0.086 0.000 0.654 330 V HN 0.368 nan 8.190 nan 0.000 0.451 331 V N 0.278 120.135 119.914 -0.096 0.000 2.343 331 V HA -0.253 3.867 4.120 -0.001 0.000 0.247 331 V C 2.285 178.328 176.094 -0.085 0.000 1.051 331 V CA 2.180 64.422 62.300 -0.097 0.000 1.036 331 V CB -0.694 31.065 31.823 -0.105 0.000 0.654 331 V HN 0.569 nan 8.190 nan 0.000 0.451 332 D N -0.263 120.095 120.400 -0.070 0.000 2.144 332 D HA -0.128 4.512 4.640 -0.001 0.000 0.199 332 D C 2.398 178.674 176.300 -0.040 0.000 0.984 332 D CA 0.956 54.927 54.000 -0.048 0.000 0.834 332 D CB -0.274 40.503 40.800 -0.039 0.000 0.955 332 D HN 0.370 nan 8.370 nan 0.000 0.465 333 R N 0.542 121.017 120.500 -0.041 0.000 2.081 333 R HA -0.066 4.274 4.340 -0.001 0.000 0.235 333 R C 2.426 178.705 176.300 -0.035 0.000 1.131 333 R CA 0.624 56.708 56.100 -0.026 0.000 0.960 333 R CB -0.756 29.533 30.300 -0.020 0.000 0.856 333 R HN 0.152 nan 8.270 nan 0.000 0.436 334 V N 1.884 121.761 119.914 -0.061 0.000 2.407 334 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 334 V C 2.321 178.360 176.094 -0.092 0.000 1.055 334 V CA 1.680 63.928 62.300 -0.087 0.000 1.049 334 V CB -0.423 31.334 31.823 -0.109 0.000 0.662 334 V HN 0.324 nan 8.190 nan 0.000 0.455 335 K N -0.016 120.317 120.400 -0.110 0.000 2.057 335 K HA -0.207 4.113 4.320 -0.001 0.000 0.206 335 K C 2.378 179.001 176.600 0.039 0.000 1.050 335 K CA 1.549 57.774 56.287 -0.104 0.000 0.935 335 K CB -0.229 32.234 32.500 -0.062 0.000 0.715 335 K HN 0.233 nan 8.250 nan 0.000 0.439 336 R N 1.692 122.207 120.500 0.025 0.000 2.073 336 R HA -0.045 4.295 4.340 -0.001 0.000 0.234 336 R C 2.071 178.399 176.300 0.047 0.000 1.134 336 R CA 1.196 57.320 56.100 0.039 0.000 0.952 336 R CB -0.522 29.791 30.300 0.020 0.000 0.850 336 R HN 0.127 nan 8.270 nan 0.000 0.433 337 I N 0.162 120.750 120.570 0.030 0.000 2.151 337 I HA -0.367 3.803 4.170 -0.001 0.000 0.243 337 I C 2.532 178.680 176.117 0.052 0.000 1.080 337 I CA 1.832 63.146 61.300 0.023 0.000 1.339 337 I CB -0.601 37.363 38.000 -0.060 0.000 1.039 337 I HN 0.421 nan 8.210 nan 0.000 0.409 338 H N 1.115 120.175 119.070 -0.017 0.000 2.293 338 H HA -0.155 4.401 4.556 -0.001 0.000 0.300 338 H C 2.463 177.862 175.328 0.118 0.000 1.082 338 H CA 2.272 58.354 56.048 0.058 0.000 1.308 338 H CB 0.071 29.852 29.762 0.031 0.000 1.375 338 H HN 0.382 nan 8.280 nan 0.000 0.495 339 S N 0.244 116.073 115.700 0.215 0.000 2.383 339 S HA -0.120 4.350 4.470 -0.001 0.000 0.227 339 S C 1.737 176.288 174.600 -0.081 0.000 1.026 339 S CA 1.248 59.394 58.200 -0.090 0.000 0.981 339 S CB -0.149 62.971 63.200 -0.134 0.000 0.818 339 S HN 0.330 nan 8.310 nan 0.000 0.472 340 D N 1.961 122.352 120.400 -0.015 0.000 2.104 340 D HA -0.064 4.576 4.640 -0.001 0.000 0.194 340 D C 2.090 178.380 176.300 -0.016 0.000 0.994 340 D CA 1.810 55.800 54.000 -0.016 0.000 0.830 340 D CB -1.007 39.798 40.800 0.007 0.000 0.959 340 D HN 0.448 nan 8.370 nan 0.000 0.452 341 T N 0.406 114.960 114.554 -0.001 0.000 2.720 341 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 341 T C 1.709 176.412 174.700 0.005 0.000 1.037 341 T CA 0.846 62.949 62.100 0.005 0.000 1.144 341 T CB -0.448 68.427 68.868 0.012 0.000 0.864 341 T HN 0.151 nan 8.240 nan 0.000 0.444 342 F N 2.012 121.863 119.950 -0.164 0.000 2.146 342 F HA 0.108 4.635 4.527 -0.000 0.000 0.298 342 F C 2.388 178.108 175.800 -0.133 0.000 1.096 342 F CA 0.876 58.792 58.000 -0.141 0.000 1.275 342 F CB -0.567 38.336 39.000 -0.161 0.000 1.008 342 F HN 0.129 nan 8.300 nan 0.000 0.480 343 A N -0.132 122.614 122.820 -0.124 0.000 1.930 343 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 343 A C 2.287 179.754 177.584 -0.194 0.000 1.175 343 A CA 1.596 53.514 52.037 -0.200 0.000 0.627 343 A CB -1.393 17.554 19.000 -0.088 0.000 0.815 343 A HN 0.497 nan 8.150 nan 0.000 0.443 344 S N -1.130 114.491 115.700 -0.132 0.000 2.500 344 S HA 0.203 4.673 4.470 -0.001 0.000 0.239 344 S C 1.676 176.198 174.600 -0.130 0.000 0.989 344 S CA 1.270 59.409 58.200 -0.101 0.000 0.951 344 S CB -0.908 62.258 63.200 -0.056 0.000 0.759 344 S HN 1.909 nan 8.310 nan 0.000 0.523 345 G N 0.832 109.510 108.800 -0.203 0.000 2.205 345 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.269 345 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.269 345 G C 0.712 175.530 174.900 -0.136 0.000 0.977 345 G CA 0.536 45.511 45.100 -0.208 0.000 0.652 345 G HN 1.100 nan 8.290 nan 0.000 0.539 346 G N 0.316 109.058 108.800 -0.097 0.000 2.379 346 G HA2 0.339 4.299 3.960 -0.001 0.000 0.287 346 G HA3 0.339 4.299 3.960 -0.001 0.000 0.287 346 G C 1.255 176.123 174.900 -0.054 0.000 1.422 346 G CA 0.895 45.960 45.100 -0.058 0.000 1.081 346 G HN 0.588 nan 8.290 nan 0.000 0.569 347 E N -0.141 120.049 120.200 -0.017 0.000 2.077 347 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 347 E C 2.051 178.652 176.600 0.001 0.000 0.989 347 E CA 0.988 57.388 56.400 -0.001 0.000 0.800 347 E CB -0.216 29.507 29.700 0.039 0.000 0.746 347 E HN 0.559 nan 8.360 nan 0.000 0.452 348 R N 0.342 120.880 120.500 0.064 0.000 2.334 348 R HA 0.349 4.689 4.340 -0.001 0.000 0.216 348 R C 2.125 178.443 176.300 0.030 0.000 0.905 348 R CA 0.457 56.657 56.100 0.166 0.000 1.064 348 R CB 0.130 30.634 30.300 0.340 0.000 1.046 348 R HN 0.204 nan 8.270 nan 0.000 0.508 349 A N 2.467 125.262 122.820 -0.043 0.000 1.997 349 A HA -0.256 4.064 4.320 -0.001 0.000 0.221 349 A C 2.117 179.700 177.584 -0.001 0.000 1.172 349 A CA 1.604 53.626 52.037 -0.027 0.000 0.645 349 A CB -0.444 18.465 19.000 -0.151 0.000 0.813 349 A HN 0.411 nan 8.150 nan 0.000 0.454 350 R N -1.714 118.650 120.500 -0.226 0.000 2.189 350 R HA -0.008 4.331 4.340 -0.001 0.000 0.223 350 R C 1.277 177.432 176.300 -0.242 0.000 1.092 350 R CA 1.603 57.531 56.100 -0.286 0.000 0.989 350 R CB -0.627 29.372 30.300 -0.500 0.000 0.876 350 R HN 0.506 nan 8.270 nan 0.000 0.457 351 F N 0.116 120.127 119.950 0.102 0.000 2.776 351 F HA 0.171 4.697 4.527 -0.001 0.000 0.300 351 F C 0.842 176.707 175.800 0.109 0.000 1.116 351 F CA -0.555 57.502 58.000 0.094 0.000 1.375 351 F CB 0.606 39.651 39.000 0.074 0.000 1.109 351 F HN 0.033 nan 8.300 nan 0.000 0.585 352 C N 1.449 120.886 119.300 0.229 0.000 2.513 352 C HA 0.217 4.677 4.460 -0.001 0.000 0.281 352 C C -0.905 174.190 174.990 0.175 0.000 1.501 352 C CA -1.048 58.026 59.018 0.092 0.000 1.749 352 C CB -0.937 26.602 27.740 -0.335 0.000 2.955 352 C HN 0.167 nan 8.230 nan 0.000 0.532 353 P HA -0.075 nan 4.420 nan 0.000 0.229 353 P C 0.262 177.377 177.300 -0.309 0.000 1.160 353 P CA 1.281 64.269 63.100 -0.185 0.000 0.777 353 P CB 0.525 32.237 31.700 0.020 0.000 0.814 354 R N -0.588 119.832 120.500 -0.135 0.000 2.712 354 R HA 0.502 4.842 4.340 -0.001 0.000 0.272 354 R C -1.420 174.806 176.300 -0.123 0.000 1.032 354 R CA -0.847 55.040 56.100 -0.355 0.000 0.874 354 R CB 0.682 30.807 30.300 -0.292 0.000 1.256 354 R HN 0.033 nan 8.270 nan 0.000 0.468 355 H N -1.446 117.404 119.070 -0.367 0.000 2.946 355 H HA 0.576 5.131 4.556 -0.001 0.000 0.365 355 H C -1.034 174.137 175.328 -0.263 0.000 1.197 355 H CA -1.044 54.780 56.048 -0.373 0.000 1.131 355 H CB 1.772 31.095 29.762 -0.733 0.000 1.849 355 H HN 0.548 nan 8.280 nan 0.000 0.555 356 E N 0.299 120.498 120.200 -0.002 0.000 2.790 356 E HA 0.174 4.523 4.350 -0.001 0.000 0.256 356 E C -0.401 176.228 176.600 0.048 0.000 1.246 356 E CA -0.634 55.756 56.400 -0.017 0.000 1.041 356 E CB 0.555 30.254 29.700 -0.002 0.000 1.272 356 E HN 0.682 nan 8.360 nan 0.000 0.603 357 D N 0.965 121.381 120.400 0.026 0.000 2.399 357 D HA 0.131 4.771 4.640 -0.001 0.000 0.241 357 D C -0.062 176.260 176.300 0.036 0.000 1.133 357 D CA 0.635 54.660 54.000 0.042 0.000 0.890 357 D CB 0.505 41.350 40.800 0.075 0.000 1.201 357 D HN 0.176 nan 8.370 nan 0.000 0.432 358 M N 1.001 120.619 119.600 0.030 0.000 2.326 358 M HA 0.333 4.812 4.480 -0.001 0.000 0.306 358 M C -0.578 175.721 176.300 -0.001 0.000 1.054 358 M CA -0.588 54.705 55.300 -0.012 0.000 0.922 358 M CB 2.356 34.917 32.600 -0.065 0.000 1.632 358 M HN 0.007 nan 8.290 nan 0.000 0.436 359 T N 3.337 117.888 114.554 -0.005 0.000 2.916 359 T HA 0.707 5.057 4.350 -0.001 0.000 0.298 359 T C -1.606 173.048 174.700 -0.077 0.000 1.031 359 T CA -0.593 61.486 62.100 -0.034 0.000 0.993 359 T CB 2.096 71.013 68.868 0.081 0.000 1.045 359 T HN 0.538 nan 8.240 nan 0.000 0.454 360 L N 3.791 124.916 121.223 -0.164 0.000 2.439 360 L HA 0.751 5.091 4.340 -0.001 0.000 0.270 360 L C -1.679 175.050 176.870 -0.236 0.000 0.972 360 L CA -0.742 54.006 54.840 -0.154 0.000 0.836 360 L CB 1.559 43.535 42.059 -0.138 0.000 1.255 360 L HN 0.714 nan 8.230 nan 0.000 0.404 361 L N 5.738 126.846 121.223 -0.192 0.000 2.341 361 L HA 0.830 5.170 4.340 -0.001 0.000 0.278 361 L C -1.479 175.270 176.870 -0.202 0.000 1.005 361 L CA -0.610 54.090 54.840 -0.234 0.000 0.818 361 L CB 1.952 43.901 42.059 -0.184 0.000 1.259 361 L HN 0.480 nan 8.230 nan 0.000 0.418 362 V N 5.068 124.835 119.914 -0.244 0.000 2.487 362 V HA 0.602 4.722 4.120 -0.001 0.000 0.298 362 V C -0.473 175.436 176.094 -0.309 0.000 1.028 362 V CA -0.689 61.477 62.300 -0.223 0.000 0.860 362 V CB 1.774 33.456 31.823 -0.234 0.000 0.991 362 V HN 0.648 nan 8.190 nan 0.000 0.427 363 R N 3.718 123.990 120.500 -0.379 0.000 2.393 363 R HA 0.414 4.753 4.340 -0.001 0.000 0.315 363 R C -0.739 175.191 176.300 -0.618 0.000 0.952 363 R CA -0.606 55.123 56.100 -0.619 0.000 0.842 363 R CB 1.374 31.107 30.300 -0.944 0.000 1.163 363 R HN 0.760 nan 8.270 nan 0.000 0.450 364 N N 3.185 121.591 118.700 -0.490 0.000 2.472 364 N HA 0.185 4.925 4.740 -0.001 0.000 0.277 364 N C -1.213 173.970 175.510 -0.544 0.000 1.081 364 N CA -0.020 52.847 53.050 -0.305 0.000 0.973 364 N CB 0.373 38.862 38.487 0.003 0.000 1.105 364 N HN 0.428 nan 8.380 nan 0.000 0.470 365 F N 2.018 121.988 119.950 0.032 0.000 2.389 365 F HA 0.332 4.858 4.527 -0.001 0.000 0.327 365 F C 1.457 177.276 175.800 0.032 0.000 1.204 365 F CA -0.574 57.421 58.000 -0.009 0.000 1.209 365 F CB 0.737 39.706 39.000 -0.051 0.000 1.460 365 F HN 0.721 nan 8.300 nan 0.000 0.537 366 G N 0.206 109.102 108.800 0.159 0.000 2.168 366 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.263 366 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.263 366 G C 0.025 175.019 174.900 0.156 0.000 0.977 366 G CA -0.247 44.937 45.100 0.139 0.000 0.659 366 G HN 0.460 nan 8.290 nan 0.000 0.533 367 Y N 2.929 123.221 120.300 -0.014 0.000 2.497 367 Y HA 0.437 4.987 4.550 -0.001 0.000 0.334 367 Y C -1.282 174.597 175.900 -0.036 0.000 1.199 367 Y CA -1.623 56.408 58.100 -0.115 0.000 1.425 367 Y CB 0.836 39.070 38.460 -0.377 0.000 1.291 367 Y HN 0.128 nan 8.280 nan 0.000 0.562 368 P HA 0.127 nan 4.420 nan 0.000 0.276 368 P C -1.386 175.961 177.300 0.079 0.000 1.230 368 P CA -0.240 62.803 63.100 -0.093 0.000 0.776 368 P CB 1.430 33.022 31.700 -0.181 0.000 0.888 369 L N 3.186 124.496 121.223 0.144 0.000 2.349 369 L HA 0.701 5.041 4.340 -0.001 0.000 0.278 369 L C 0.268 177.168 176.870 0.050 0.000 0.996 369 L CA 0.575 55.517 54.840 0.170 0.000 0.825 369 L CB 0.975 43.108 42.059 0.123 0.000 1.243 369 L HN 0.873 nan 8.230 nan 0.000 0.412 370 G N 0.000 108.817 108.800 0.028 0.000 5.446 370 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 370 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 370 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925