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 3bls_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNAL 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.579 177.584 -0.008 0.000 1.274 4 A CA 0.000 52.122 52.037 0.142 0.000 0.836 4 A CB 0.000 19.038 19.000 0.063 0.000 0.831 5 P HA 0.091 nan 4.420 nan 0.000 0.264 5 P C 0.666 177.913 177.300 -0.088 0.000 1.179 5 P CA 0.314 63.352 63.100 -0.103 0.000 0.763 5 P CB 0.441 32.043 31.700 -0.164 0.000 0.806 6 Q N 1.162 120.935 119.800 -0.046 0.000 2.112 6 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 6 Q C 2.080 178.056 176.000 -0.040 0.000 0.987 6 Q CA 1.647 57.437 55.803 -0.022 0.000 0.858 6 Q CB -0.164 28.564 28.738 -0.017 0.000 0.905 6 Q HN 0.573 nan 8.270 nan 0.000 0.420 7 Q N 0.508 120.256 119.800 -0.086 0.000 2.065 7 Q HA -0.261 4.079 4.340 -0.000 0.000 0.213 7 Q C 2.039 177.964 176.000 -0.126 0.000 1.012 7 Q CA 2.010 57.744 55.803 -0.114 0.000 0.876 7 Q CB -0.271 28.367 28.738 -0.166 0.000 0.954 7 Q HN 0.467 nan 8.270 nan 0.000 0.413 8 I N 0.671 121.123 120.570 -0.196 0.000 2.179 8 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 8 I C 2.321 178.449 176.117 0.018 0.000 1.088 8 I CA 0.993 62.193 61.300 -0.167 0.000 1.357 8 I CB -0.670 37.139 38.000 -0.319 0.000 1.051 8 I HN 0.325 nan 8.210 nan 0.000 0.409 9 N N 0.995 119.754 118.700 0.098 0.000 2.094 9 N HA -0.221 4.519 4.740 -0.000 0.000 0.191 9 N C 1.456 177.092 175.510 0.210 0.000 1.023 9 N CA 1.856 55.064 53.050 0.264 0.000 0.857 9 N CB -0.296 38.298 38.487 0.178 0.000 1.013 9 N HN 0.342 nan 8.380 nan 0.000 0.426 10 D N 0.883 121.336 120.400 0.089 0.000 2.078 10 D HA -0.075 4.565 4.640 -0.000 0.000 0.193 10 D C 2.188 178.520 176.300 0.054 0.000 0.990 10 D CA 0.716 54.758 54.000 0.070 0.000 0.827 10 D CB -0.374 40.438 40.800 0.021 0.000 0.975 10 D HN 0.320 nan 8.370 nan 0.000 0.451 11 I N 0.328 120.895 120.570 -0.004 0.000 2.069 11 I HA -0.292 3.878 4.170 -0.000 0.000 0.237 11 I C 2.486 178.572 176.117 -0.052 0.000 1.053 11 I CA 0.874 62.152 61.300 -0.037 0.000 1.311 11 I CB -0.999 36.954 38.000 -0.078 0.000 1.030 11 I HN -0.112 nan 8.210 nan 0.000 0.398 12 V N 0.931 120.781 119.914 -0.107 0.000 2.220 12 V HA -0.364 3.756 4.120 -0.000 0.000 0.250 12 V C 2.618 178.633 176.094 -0.131 0.000 1.056 12 V CA 2.372 64.535 62.300 -0.227 0.000 1.016 12 V CB -1.179 30.266 31.823 -0.630 0.000 0.639 12 V HN 0.444 nan 8.190 nan 0.000 0.446 13 H N -0.359 118.719 119.070 0.013 0.000 2.353 13 H HA -0.208 4.348 4.556 -0.000 0.000 0.298 13 H C 2.638 177.974 175.328 0.013 0.000 1.103 13 H CA 2.338 58.454 56.048 0.113 0.000 1.293 13 H CB -0.033 29.856 29.762 0.212 0.000 1.372 13 H HN 0.275 nan 8.280 nan 0.000 0.501 14 R N -0.179 120.375 120.500 0.089 0.000 2.091 14 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 14 R C 2.439 178.724 176.300 -0.024 0.000 1.136 14 R CA 2.074 58.193 56.100 0.031 0.000 0.959 14 R CB -0.028 30.284 30.300 0.019 0.000 0.856 14 R HN 0.285 nan 8.270 nan 0.000 0.437 15 T N 0.472 114.990 114.554 -0.059 0.000 2.814 15 T HA 0.033 4.383 4.350 -0.000 0.000 0.254 15 T C 1.749 176.353 174.700 -0.161 0.000 1.037 15 T CA 0.719 62.769 62.100 -0.084 0.000 1.143 15 T CB -0.041 68.787 68.868 -0.066 0.000 0.866 15 T HN -0.009 nan 8.240 nan 0.000 0.431 16 I N 2.442 122.848 120.570 -0.273 0.000 2.113 16 I HA -0.155 4.015 4.170 -0.000 0.000 0.238 16 I C 2.732 178.533 176.117 -0.527 0.000 1.070 16 I CA 1.581 62.599 61.300 -0.470 0.000 1.332 16 I CB -1.963 35.548 38.000 -0.815 0.000 1.044 16 I HN 0.286 nan 8.210 nan 0.000 0.402 17 T N 2.065 116.308 114.554 -0.519 0.000 2.649 17 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 17 T C -0.327 174.231 174.700 -0.237 0.000 1.036 17 T CA 1.888 63.756 62.100 -0.387 0.000 1.157 17 T CB -1.723 67.076 68.868 -0.115 0.000 0.861 17 T HN 0.269 nan 8.240 nan 0.000 0.445 18 P HA -0.006 nan 4.420 nan 0.000 0.215 18 P C 1.791 179.005 177.300 -0.143 0.000 1.157 18 P CA 0.526 63.557 63.100 -0.114 0.000 0.863 18 P CB -0.318 31.336 31.700 -0.077 0.000 0.787 19 L N -0.050 121.065 121.223 -0.179 0.000 2.051 19 L HA -0.184 4.156 4.340 -0.000 0.000 0.214 19 L C 2.181 178.900 176.870 -0.251 0.000 1.076 19 L CA 1.882 56.607 54.840 -0.191 0.000 0.758 19 L CB -1.482 40.458 42.059 -0.198 0.000 0.890 19 L HN -0.123 nan 8.230 nan 0.000 0.433 20 I N -0.969 119.423 120.570 -0.297 0.000 2.493 20 I HA -0.202 3.968 4.170 -0.000 0.000 0.254 20 I C 2.508 178.513 176.117 -0.187 0.000 1.160 20 I CA 0.997 62.128 61.300 -0.282 0.000 1.445 20 I CB -0.350 37.462 38.000 -0.314 0.000 1.086 20 I HN 0.420 nan 8.210 nan 0.000 0.433 21 E N 0.649 120.756 120.200 -0.153 0.000 2.021 21 E HA -0.212 4.138 4.350 -0.000 0.000 0.189 21 E C 2.214 178.764 176.600 -0.083 0.000 0.980 21 E CA 1.125 57.467 56.400 -0.097 0.000 0.803 21 E CB 0.063 29.720 29.700 -0.073 0.000 0.766 21 E HN 0.436 nan 8.360 nan 0.000 0.449 22 Q N 0.210 119.961 119.800 -0.082 0.000 2.077 22 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 22 Q C 2.166 178.130 176.000 -0.061 0.000 0.989 22 Q CA 1.588 57.356 55.803 -0.058 0.000 0.853 22 Q CB 0.009 28.719 28.738 -0.046 0.000 0.907 22 Q HN 0.155 nan 8.270 nan 0.000 0.418 23 Q N 0.148 119.886 119.800 -0.104 0.000 2.297 23 Q HA -0.025 4.315 4.340 -0.000 0.000 0.204 23 Q C 0.087 176.031 176.000 -0.093 0.000 0.962 23 Q CA 0.653 56.389 55.803 -0.112 0.000 0.879 23 Q CB 0.299 28.873 28.738 -0.275 0.000 0.947 23 Q HN 0.284 nan 8.270 nan 0.000 0.462 24 K N -0.046 120.293 120.400 -0.103 0.000 3.200 24 K HA -0.146 4.174 4.320 -0.000 0.000 0.272 24 K C -0.892 175.664 176.600 -0.074 0.000 1.150 24 K CA 0.049 56.293 56.287 -0.072 0.000 0.801 24 K CB -1.852 30.624 32.500 -0.041 0.000 1.269 24 K HN 0.155 nan 8.250 nan 0.000 0.500 25 I N 1.075 121.574 120.570 -0.119 0.000 2.396 25 I HA 0.057 4.227 4.170 -0.000 0.000 0.289 25 I C -0.865 175.248 176.117 -0.007 0.000 1.056 25 I CA -2.002 59.249 61.300 -0.081 0.000 1.365 25 I CB 0.766 38.654 38.000 -0.186 0.000 1.407 25 I HN 0.026 nan 8.210 nan 0.000 0.509 26 P HA -0.027 nan 4.420 nan 0.000 0.214 26 P C 0.455 177.852 177.300 0.160 0.000 1.162 26 P CA 0.728 63.871 63.100 0.072 0.000 0.879 26 P CB 0.205 31.906 31.700 0.002 0.000 0.786 27 G N -1.302 107.643 108.800 0.242 0.000 2.667 27 G HA2 0.701 4.661 3.960 -0.000 0.000 0.298 27 G HA3 0.701 4.661 3.960 -0.000 0.000 0.298 27 G C -1.781 173.370 174.900 0.419 0.000 1.377 27 G CA -0.449 44.848 45.100 0.327 0.000 0.964 27 G HN 0.139 nan 8.290 nan 0.000 0.493 28 M N 1.198 121.080 119.600 0.470 0.000 2.426 28 M HA 0.681 5.161 4.480 -0.000 0.000 0.289 28 M C -1.737 174.870 176.300 0.512 0.000 1.168 28 M CA -0.498 55.070 55.300 0.446 0.000 0.933 28 M CB 2.040 34.812 32.600 0.288 0.000 1.750 28 M HN 1.126 nan 8.290 nan 0.000 0.494 29 A N 3.370 126.389 122.820 0.332 0.000 2.371 29 A HA 0.905 5.225 4.320 -0.000 0.000 0.311 29 A C -1.729 176.055 177.584 0.334 0.000 1.068 29 A CA -0.639 51.602 52.037 0.339 0.000 0.744 29 A CB 1.890 21.027 19.000 0.228 0.000 1.239 29 A HN 0.685 nan 8.150 nan 0.000 0.435 30 V N 0.497 120.698 119.914 0.478 0.000 2.962 30 V HA 0.869 4.989 4.120 -0.000 0.000 0.313 30 V C -0.072 176.298 176.094 0.460 0.000 1.099 30 V CA -0.083 62.476 62.300 0.431 0.000 0.971 30 V CB 2.107 34.222 31.823 0.486 0.000 1.028 30 V HN 1.546 nan 8.190 nan 0.000 0.430 31 A N 3.142 126.157 122.820 0.326 0.000 2.398 31 A HA 0.875 5.195 4.320 -0.000 0.000 0.301 31 A C -1.364 176.327 177.584 0.177 0.000 1.041 31 A CA -0.483 51.699 52.037 0.242 0.000 0.711 31 A CB 1.835 20.936 19.000 0.169 0.000 1.240 31 A HN 0.662 nan 8.150 nan 0.000 0.420 32 V N 2.679 122.715 119.914 0.204 0.000 2.513 32 V HA 0.468 4.588 4.120 -0.000 0.000 0.299 32 V C -0.745 175.462 176.094 0.187 0.000 1.035 32 V CA -0.380 62.028 62.300 0.180 0.000 0.889 32 V CB 1.574 33.513 31.823 0.193 0.000 0.988 32 V HN 0.711 nan 8.190 nan 0.000 0.440 33 I N 4.977 125.627 120.570 0.132 0.000 2.328 33 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 33 I C -0.890 175.342 176.117 0.193 0.000 1.012 33 I CA -0.175 61.194 61.300 0.115 0.000 1.195 33 I CB 0.739 38.734 38.000 -0.009 0.000 1.350 33 I HN 0.582 nan 8.210 nan 0.000 0.464 34 Y N 5.627 126.002 120.300 0.124 0.000 2.332 34 Y HA 0.416 4.966 4.550 0.000 0.000 0.326 34 Y C 0.434 176.387 175.900 0.088 0.000 0.978 34 Y CA -1.143 57.009 58.100 0.086 0.000 1.205 34 Y CB 0.940 39.443 38.460 0.071 0.000 1.131 34 Y HN 0.638 nan 8.280 nan 0.000 0.462 35 Q N 4.459 123.975 119.800 -0.474 0.000 2.463 35 Q HA -0.192 4.148 4.340 -0.000 0.000 0.299 35 Q C 1.033 176.928 176.000 -0.176 0.000 1.353 35 Q CA 1.608 57.167 55.803 -0.407 0.000 0.828 35 Q CB -1.291 27.138 28.738 -0.514 0.000 1.157 35 Q HN 1.458 nan 8.270 nan 0.000 0.436 36 G N -0.707 108.020 108.800 -0.122 0.000 2.189 36 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.267 36 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.267 36 G C 0.063 174.930 174.900 -0.054 0.000 0.975 36 G CA 0.755 45.801 45.100 -0.089 0.000 0.644 36 G HN 0.477 nan 8.290 nan 0.000 0.537 37 K N 1.291 121.696 120.400 0.008 0.000 2.221 37 K HA 0.671 4.991 4.320 -0.000 0.000 0.258 37 K C -2.562 173.973 176.600 -0.108 0.000 0.944 37 K CA -2.283 53.975 56.287 -0.049 0.000 0.823 37 K CB 2.674 35.154 32.500 -0.032 0.000 1.113 37 K HN 0.068 nan 8.250 nan 0.000 0.431 38 P HA 0.270 nan 4.420 nan 0.000 0.290 38 P C -1.562 175.208 177.300 -0.884 0.000 1.283 38 P CA -0.516 62.338 63.100 -0.409 0.000 0.869 38 P CB 0.879 32.325 31.700 -0.423 0.000 1.100 39 Y N 0.592 120.649 120.300 -0.406 0.000 2.425 39 Y HA 0.495 5.045 4.550 -0.000 0.000 0.344 39 Y C -0.145 175.471 175.900 -0.474 0.000 0.969 39 Y CA -0.489 57.393 58.100 -0.363 0.000 1.052 39 Y CB 1.695 40.120 38.460 -0.057 0.000 1.215 39 Y HN 0.271 nan 8.280 nan 0.000 0.451 40 Y N 2.235 122.484 120.300 -0.084 0.000 2.468 40 Y HA 0.739 5.289 4.550 -0.000 0.000 0.342 40 Y C -1.074 174.532 175.900 -0.491 0.000 1.021 40 Y CA -1.631 56.431 58.100 -0.063 0.000 1.079 40 Y CB 1.503 39.919 38.460 -0.073 0.000 1.226 40 Y HN 0.371 nan 8.280 nan 0.000 0.460 41 F N -0.018 120.001 119.950 0.114 0.000 2.581 41 F HA 0.628 5.155 4.527 -0.000 0.000 0.311 41 F C -0.290 175.324 175.800 -0.309 0.000 1.113 41 F CA -1.061 56.772 58.000 -0.277 0.000 0.935 41 F CB 2.284 40.975 39.000 -0.514 0.000 1.232 41 F HN 0.397 nan 8.300 nan 0.000 0.445 42 T N -1.254 113.057 114.554 -0.405 0.000 2.906 42 T HA 0.725 5.075 4.350 -0.000 0.000 0.295 42 T C -1.730 172.730 174.700 -0.398 0.000 1.061 42 T CA -0.678 61.328 62.100 -0.157 0.000 1.000 42 T CB 1.935 70.808 68.868 0.008 0.000 1.103 42 T HN 0.583 nan 8.240 nan 0.000 0.486 43 W N 0.901 122.278 121.300 0.129 0.000 3.439 43 W HA 0.499 5.158 4.660 -0.000 0.000 0.323 43 W C 0.642 177.178 176.519 0.028 0.000 1.174 43 W CA -0.057 57.326 57.345 0.063 0.000 1.224 43 W CB 1.596 31.084 29.460 0.047 0.000 1.348 43 W HN 1.448 nan 8.180 nan 0.000 0.498 44 G N 1.753 110.615 108.800 0.103 0.000 2.542 44 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.235 44 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.235 44 G C -1.822 172.946 174.900 -0.221 0.000 1.286 44 G CA -0.536 44.479 45.100 -0.142 0.000 0.904 44 G HN 0.405 nan 8.290 nan 0.000 0.577 45 Y N 0.054 120.453 120.300 0.164 0.000 2.446 45 Y HA 0.683 5.233 4.550 -0.000 0.000 0.338 45 Y C 1.363 177.379 175.900 0.192 0.000 1.055 45 Y CA 0.014 58.204 58.100 0.151 0.000 1.101 45 Y CB 1.883 40.409 38.460 0.111 0.000 1.221 45 Y HN 0.926 nan 8.280 nan 0.000 0.460 46 A N 0.520 123.557 122.820 0.361 0.000 2.044 46 A HA 0.089 4.409 4.320 -0.000 0.000 0.213 46 A C -0.063 177.715 177.584 0.323 0.000 1.169 46 A CA 0.977 53.160 52.037 0.244 0.000 0.724 46 A CB 0.123 19.196 19.000 0.122 0.000 0.840 46 A HN 0.613 nan 8.150 nan 0.000 0.463 47 D N -0.995 119.612 120.400 0.345 0.000 2.616 47 D HA 0.381 5.021 4.640 -0.000 0.000 0.238 47 D C 0.488 176.864 176.300 0.126 0.000 1.354 47 D CA -0.410 53.801 54.000 0.350 0.000 0.970 47 D CB 0.892 41.878 40.800 0.310 0.000 1.369 47 D HN 0.105 nan 8.370 nan 0.000 0.585 48 I N 2.158 122.776 120.570 0.080 0.000 2.286 48 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 48 I C 2.523 178.504 176.117 -0.228 0.000 1.104 48 I CA 0.846 62.009 61.300 -0.228 0.000 1.397 48 I CB -0.169 37.695 38.000 -0.228 0.000 1.072 48 I HN 0.406 nan 8.210 nan 0.000 0.417 49 A N 1.619 124.382 122.820 -0.095 0.000 1.873 49 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 49 A C 2.150 179.680 177.584 -0.091 0.000 1.193 49 A CA 1.843 53.826 52.037 -0.090 0.000 0.629 49 A CB -0.508 18.457 19.000 -0.057 0.000 0.826 49 A HN 0.402 nan 8.150 nan 0.000 0.447 50 K N -0.788 119.583 120.400 -0.050 0.000 2.458 50 K HA 0.162 4.482 4.320 -0.000 0.000 0.194 50 K C -0.380 176.166 176.600 -0.092 0.000 1.024 50 K CA 0.207 56.471 56.287 -0.037 0.000 1.108 50 K CB 0.167 32.685 32.500 0.031 0.000 0.846 50 K HN 0.405 nan 8.250 nan 0.000 0.518 51 K N 1.169 121.410 120.400 -0.265 0.000 3.071 51 K HA -0.225 4.095 4.320 -0.000 0.000 0.262 51 K C -0.377 176.166 176.600 -0.096 0.000 0.977 51 K CA 0.392 56.373 56.287 -0.510 0.000 0.721 51 K CB -1.286 31.024 32.500 -0.317 0.000 1.293 51 K HN 0.141 nan 8.250 nan 0.000 0.475 52 Q N 0.811 120.641 119.800 0.050 0.000 2.279 52 Q HA 0.273 4.613 4.340 -0.000 0.000 0.256 52 Q C -2.443 173.809 176.000 0.420 0.000 0.937 52 Q CA -2.323 53.608 55.803 0.213 0.000 0.933 52 Q CB 1.058 29.883 28.738 0.144 0.000 1.189 52 Q HN 0.017 nan 8.270 nan 0.000 0.417 53 P HA 0.098 nan 4.420 nan 0.000 0.286 53 P C -0.763 176.643 177.300 0.177 0.000 1.261 53 P CA -0.448 62.807 63.100 0.258 0.000 0.821 53 P CB 1.096 32.877 31.700 0.136 0.000 1.013 54 V N 3.031 123.051 119.914 0.175 0.000 2.599 54 V HA 0.193 4.313 4.120 -0.000 0.000 0.300 54 V C 1.244 177.428 176.094 0.150 0.000 1.034 54 V CA 1.135 63.554 62.300 0.198 0.000 1.115 54 V CB 0.267 32.268 31.823 0.297 0.000 0.934 54 V HN 0.939 nan 8.190 nan 0.000 0.485 55 T N 1.832 116.468 114.554 0.137 0.000 2.716 55 T HA 0.344 4.694 4.350 -0.000 0.000 0.286 55 T C 0.256 175.003 174.700 0.077 0.000 1.052 55 T CA -0.722 61.422 62.100 0.074 0.000 1.024 55 T CB 1.598 70.481 68.868 0.024 0.000 1.349 55 T HN 0.440 nan 8.240 nan 0.000 0.525 56 Q N -0.093 119.695 119.800 -0.019 0.000 2.491 56 Q HA 0.086 4.426 4.340 -0.000 0.000 0.214 56 Q C 0.754 176.705 176.000 -0.082 0.000 0.970 56 Q CA 0.666 56.418 55.803 -0.086 0.000 0.960 56 Q CB -0.077 28.507 28.738 -0.256 0.000 0.996 56 Q HN 0.541 nan 8.270 nan 0.000 0.524 57 Q N -1.356 118.419 119.800 -0.042 0.000 2.157 57 Q HA 0.110 4.450 4.340 -0.000 0.000 0.235 57 Q C -0.158 175.827 176.000 -0.026 0.000 0.803 57 Q CA 0.147 55.889 55.803 -0.102 0.000 0.967 57 Q CB 1.344 29.997 28.738 -0.142 0.000 1.150 57 Q HN 0.072 nan 8.270 nan 0.000 0.482 58 T N 1.149 115.738 114.554 0.058 0.000 2.926 58 T HA 0.265 4.615 4.350 -0.000 0.000 0.307 58 T C -0.092 174.668 174.700 0.099 0.000 1.059 58 T CA 0.128 62.256 62.100 0.046 0.000 1.122 58 T CB 0.402 69.302 68.868 0.053 0.000 0.972 58 T HN 0.115 nan 8.240 nan 0.000 0.545 59 L N 3.104 124.337 121.223 0.017 0.000 2.295 59 L HA 0.578 4.918 4.340 -0.000 0.000 0.285 59 L C -0.759 176.116 176.870 0.008 0.000 1.035 59 L CA -0.662 54.214 54.840 0.060 0.000 0.806 59 L CB 0.745 42.758 42.059 -0.077 0.000 1.214 59 L HN 0.533 nan 8.230 nan 0.000 0.426 60 F N 0.260 120.230 119.950 0.033 0.000 2.579 60 F HA 0.392 4.919 4.527 -0.000 0.000 0.324 60 F C 0.292 175.869 175.800 -0.371 0.000 1.058 60 F CA -0.950 57.006 58.000 -0.072 0.000 0.944 60 F CB 1.417 40.506 39.000 0.148 0.000 1.245 60 F HN 0.353 nan 8.300 nan 0.000 0.477 61 E N 2.137 121.914 120.200 -0.705 0.000 2.194 61 E HA 0.214 4.564 4.350 -0.000 0.000 0.284 61 E C 0.508 177.028 176.600 -0.134 0.000 1.035 61 E CA -0.092 56.032 56.400 -0.459 0.000 0.836 61 E CB 0.944 30.265 29.700 -0.633 0.000 1.070 61 E HN 0.588 nan 8.360 nan 0.000 0.401 62 L N 2.807 124.027 121.223 -0.005 0.000 2.313 62 L HA 0.008 4.348 4.340 -0.000 0.000 0.214 62 L C 1.420 178.382 176.870 0.153 0.000 1.119 62 L CA 0.624 55.526 54.840 0.103 0.000 0.809 62 L CB -0.979 41.146 42.059 0.110 0.000 0.933 62 L HN 0.873 nan 8.230 nan 0.000 0.449 63 G N 0.343 109.234 108.800 0.151 0.000 2.574 63 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.282 63 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.282 63 G C 0.817 175.861 174.900 0.239 0.000 1.257 63 G CA 0.288 45.511 45.100 0.205 0.000 0.956 63 G HN 0.188 nan 8.290 nan 0.000 0.560 64 S N -0.668 115.176 115.700 0.239 0.000 2.462 64 S HA -0.075 4.395 4.470 -0.000 0.000 0.243 64 S C 2.376 177.113 174.600 0.229 0.000 1.003 64 S CA 1.477 59.837 58.200 0.267 0.000 0.970 64 S CB -0.229 63.157 63.200 0.311 0.000 0.762 64 S HN 0.802 nan 8.310 nan 0.000 0.510 65 V N 1.338 121.377 119.914 0.207 0.000 2.913 65 V HA -0.105 4.015 4.120 -0.000 0.000 0.260 65 V C 2.086 178.300 176.094 0.201 0.000 1.098 65 V CA 1.253 63.659 62.300 0.177 0.000 1.121 65 V CB -0.677 31.269 31.823 0.206 0.000 0.714 65 V HN 0.447 nan 8.190 nan 0.000 0.487 66 S N 0.021 115.874 115.700 0.255 0.000 2.419 66 S HA -0.243 4.227 4.470 -0.000 0.000 0.235 66 S C 1.867 176.643 174.600 0.293 0.000 1.019 66 S CA 1.367 59.761 58.200 0.322 0.000 0.982 66 S CB -0.252 63.068 63.200 0.198 0.000 0.789 66 S HN 0.672 nan 8.310 nan 0.000 0.490 67 K N 0.949 121.463 120.400 0.190 0.000 2.280 67 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 67 K C 2.358 178.963 176.600 0.008 0.000 1.047 67 K CA 1.531 57.901 56.287 0.138 0.000 0.942 67 K CB -0.487 32.114 32.500 0.168 0.000 0.739 67 K HN 0.591 nan 8.250 nan 0.000 0.457 68 T N -1.124 113.325 114.554 -0.176 0.000 2.867 68 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 68 T C 1.711 176.325 174.700 -0.145 0.000 1.057 68 T CA 0.765 62.547 62.100 -0.529 0.000 1.136 68 T CB -0.343 67.765 68.868 -1.266 0.000 0.874 68 T HN 0.040 nan 8.240 nan 0.000 0.466 69 F N 2.185 122.147 119.950 0.020 0.000 2.163 69 F HA 0.065 4.592 4.527 -0.000 0.000 0.297 69 F C 2.986 178.824 175.800 0.064 0.000 1.094 69 F CA 1.257 59.234 58.000 -0.037 0.000 1.290 69 F CB -1.116 37.763 39.000 -0.201 0.000 1.017 69 F HN 0.131 nan 8.300 nan 0.000 0.483 70 T N -0.510 114.231 114.554 0.312 0.000 2.788 70 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 70 T C 2.371 177.236 174.700 0.275 0.000 1.044 70 T CA 1.362 63.647 62.100 0.309 0.000 1.139 70 T CB -1.010 68.045 68.868 0.312 0.000 0.867 70 T HN 0.443 nan 8.240 nan 0.000 0.454 71 G N 1.126 110.050 108.800 0.207 0.000 2.421 71 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 71 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 71 G C 1.705 176.745 174.900 0.234 0.000 1.171 71 G CA 0.825 46.043 45.100 0.197 0.000 0.775 71 G HN 0.427 nan 8.290 nan 0.000 0.543 72 V N 0.715 120.775 119.914 0.243 0.000 2.332 72 V HA -0.148 3.971 4.120 -0.000 0.000 0.248 72 V C 2.710 178.920 176.094 0.193 0.000 1.055 72 V CA 1.713 64.179 62.300 0.276 0.000 1.038 72 V CB -0.459 31.633 31.823 0.447 0.000 0.651 72 V HN 0.346 nan 8.190 nan 0.000 0.450 73 L N 1.196 122.503 121.223 0.140 0.000 2.083 73 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 73 L C 2.315 179.201 176.870 0.026 0.000 1.083 73 L CA 2.340 57.193 54.840 0.022 0.000 0.752 73 L CB -1.180 40.823 42.059 -0.093 0.000 0.899 73 L HN 0.272 nan 8.230 nan 0.000 0.433 74 G N -1.180 107.684 108.800 0.108 0.000 2.422 74 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 74 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 74 G C 1.516 176.519 174.900 0.173 0.000 1.146 74 G CA 0.539 45.721 45.100 0.136 0.000 0.769 74 G HN 0.581 nan 8.290 nan 0.000 0.547 75 G N 0.742 109.652 108.800 0.183 0.000 2.446 75 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 75 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 75 G C 1.433 176.391 174.900 0.097 0.000 1.168 75 G CA 1.390 46.580 45.100 0.150 0.000 0.771 75 G HN 0.496 nan 8.290 nan 0.000 0.551 76 D N 0.508 120.952 120.400 0.074 0.000 2.104 76 D HA -0.006 4.634 4.640 -0.000 0.000 0.194 76 D C 2.702 179.010 176.300 0.012 0.000 0.994 76 D CA 1.590 55.613 54.000 0.038 0.000 0.830 76 D CB -0.290 40.525 40.800 0.024 0.000 0.959 76 D HN 0.252 nan 8.370 nan 0.000 0.452 77 A N -0.040 122.776 122.820 -0.008 0.000 1.940 77 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 77 A C 2.331 179.914 177.584 -0.001 0.000 1.176 77 A CA 1.216 53.235 52.037 -0.030 0.000 0.631 77 A CB -0.789 18.161 19.000 -0.083 0.000 0.814 77 A HN 0.410 nan 8.150 nan 0.000 0.446 78 I N -0.431 120.156 120.570 0.028 0.000 2.202 78 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 78 I C 2.912 179.054 176.117 0.043 0.000 1.091 78 I CA 1.028 62.357 61.300 0.049 0.000 1.368 78 I CB -0.257 37.791 38.000 0.080 0.000 1.058 78 I HN 0.333 nan 8.210 nan 0.000 0.410 79 A N 0.600 123.445 122.820 0.043 0.000 2.019 79 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 79 A C 2.221 179.817 177.584 0.021 0.000 1.164 79 A CA 1.335 53.392 52.037 0.033 0.000 0.644 79 A CB -0.514 18.506 19.000 0.033 0.000 0.805 79 A HN 0.361 nan 8.150 nan 0.000 0.449 80 R N -1.451 119.057 120.500 0.014 0.000 2.310 80 R HA 0.222 4.562 4.340 -0.000 0.000 0.202 80 R C 1.275 177.582 176.300 0.011 0.000 0.933 80 R CA 0.502 56.606 56.100 0.006 0.000 1.054 80 R CB -0.058 30.238 30.300 -0.006 0.000 0.985 80 R HN 0.639 nan 8.270 nan 0.000 0.489 81 G N 1.229 110.041 108.800 0.020 0.000 2.162 81 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 81 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 81 G C 0.616 175.538 174.900 0.036 0.000 0.976 81 G CA 0.588 45.706 45.100 0.029 0.000 0.655 81 G HN 0.453 nan 8.290 nan 0.000 0.533 82 E N -0.418 119.797 120.200 0.025 0.000 2.150 82 E HA 0.157 4.507 4.350 -0.000 0.000 0.193 82 E C 1.509 178.150 176.600 0.068 0.000 0.985 82 E CA 1.284 57.703 56.400 0.031 0.000 0.814 82 E CB 0.029 29.725 29.700 -0.006 0.000 0.752 82 E HN 0.948 nan 8.360 nan 0.000 0.466 83 I N -3.406 117.191 120.570 0.045 0.000 3.195 83 I HA 0.486 4.656 4.170 -0.000 0.000 0.313 83 I C -1.402 174.766 176.117 0.086 0.000 1.237 83 I CA -1.285 60.054 61.300 0.065 0.000 0.963 83 I CB 2.303 40.213 38.000 -0.150 0.000 1.278 83 I HN -0.376 nan 8.210 nan 0.000 0.460 84 K N 2.094 122.571 120.400 0.128 0.000 2.422 84 K HA 0.523 4.843 4.320 -0.000 0.000 0.251 84 K C -0.078 176.591 176.600 0.114 0.000 0.933 84 K CA -0.748 55.605 56.287 0.110 0.000 0.798 84 K CB 2.816 35.383 32.500 0.111 0.000 1.238 84 K HN 0.608 nan 8.250 nan 0.000 0.428 85 L N 1.103 122.373 121.223 0.078 0.000 2.376 85 L HA -0.111 4.229 4.340 -0.000 0.000 0.219 85 L C 1.871 178.756 176.870 0.026 0.000 1.133 85 L CA 1.054 55.916 54.840 0.038 0.000 0.816 85 L CB -0.144 41.887 42.059 -0.046 0.000 0.933 85 L HN 0.700 nan 8.230 nan 0.000 0.449 86 S N -2.835 112.896 115.700 0.051 0.000 2.527 86 S HA 0.010 4.480 4.470 -0.000 0.000 0.222 86 S C 0.612 175.267 174.600 0.090 0.000 0.985 86 S CA -0.315 57.915 58.200 0.049 0.000 0.921 86 S CB -0.235 62.994 63.200 0.049 0.000 0.772 86 S HN 0.192 nan 8.310 nan 0.000 0.529 87 D N 4.206 124.689 120.400 0.139 0.000 2.382 87 D HA 0.330 4.970 4.640 -0.000 0.000 0.245 87 D C -2.434 173.993 176.300 0.213 0.000 1.120 87 D CA -1.541 52.573 54.000 0.190 0.000 0.890 87 D CB 0.918 41.919 40.800 0.335 0.000 1.201 87 D HN 0.194 nan 8.370 nan 0.000 0.433 88 P HA 0.050 nan 4.420 nan 0.000 0.272 88 P C 0.687 178.138 177.300 0.251 0.000 1.230 88 P CA -0.215 63.005 63.100 0.199 0.000 0.788 88 P CB 0.609 32.397 31.700 0.147 0.000 0.949 89 T N 0.256 114.978 114.554 0.280 0.000 2.708 89 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 89 T C 1.689 176.514 174.700 0.207 0.000 1.037 89 T CA 2.457 64.726 62.100 0.282 0.000 1.146 89 T CB -1.117 67.926 68.868 0.293 0.000 0.865 89 T HN 0.656 nan 8.240 nan 0.000 0.435 90 T N 0.741 115.374 114.554 0.130 0.000 3.025 90 T HA -0.078 4.272 4.350 -0.000 0.000 0.270 90 T C 1.726 176.440 174.700 0.023 0.000 1.126 90 T CA 1.230 63.361 62.100 0.052 0.000 1.105 90 T CB -0.372 68.510 68.868 0.024 0.000 0.884 90 T HN 0.453 nan 8.240 nan 0.000 0.522 91 K N -0.058 120.325 120.400 -0.028 0.000 2.280 91 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 91 K C 1.049 177.380 176.600 -0.449 0.000 1.047 91 K CA 1.145 57.275 56.287 -0.262 0.000 0.942 91 K CB -0.175 32.079 32.500 -0.410 0.000 0.739 91 K HN 0.568 nan 8.250 nan 0.000 0.457 92 Y N -2.587 117.753 120.300 0.066 0.000 2.444 92 Y HA 0.169 4.719 4.550 -0.000 0.000 0.252 92 Y C 0.059 176.021 175.900 0.103 0.000 1.091 92 Y CA -0.604 57.522 58.100 0.043 0.000 1.276 92 Y CB 0.692 39.149 38.460 -0.004 0.000 1.170 92 Y HN 0.103 nan 8.280 nan 0.000 0.517 93 W N 3.037 124.332 121.300 -0.009 0.000 2.162 93 W HA 0.408 5.068 4.660 -0.000 0.000 0.292 93 W C -2.507 173.953 176.519 -0.099 0.000 0.998 93 W CA -3.582 53.717 57.345 -0.078 0.000 1.570 93 W CB 0.873 30.243 29.460 -0.150 0.000 1.644 93 W HN -0.143 nan 8.180 nan 0.000 0.360 94 P HA -0.175 nan 4.420 nan 0.000 0.221 94 P C 0.887 178.150 177.300 -0.061 0.000 1.145 94 P CA 1.742 64.859 63.100 0.028 0.000 0.795 94 P CB 0.502 32.227 31.700 0.042 0.000 0.775 95 E N -1.030 119.098 120.200 -0.119 0.000 2.427 95 E HA 0.003 4.353 4.350 -0.000 0.000 0.196 95 E C 0.611 176.917 176.600 -0.490 0.000 1.028 95 E CA 0.099 56.351 56.400 -0.248 0.000 0.864 95 E CB -0.589 29.007 29.700 -0.172 0.000 0.813 95 E HN 0.113 nan 8.360 nan 0.000 0.514 96 L N 1.011 121.822 121.223 -0.686 0.000 2.391 96 L HA 0.092 4.432 4.340 -0.000 0.000 0.249 96 L C 0.928 177.589 176.870 -0.348 0.000 1.308 96 L CA 0.567 54.949 54.840 -0.764 0.000 1.209 96 L CB -0.062 41.339 42.059 -1.097 0.000 1.401 96 L HN -0.080 nan 8.230 nan 0.000 0.416 97 T N 1.006 115.431 114.554 -0.215 0.000 3.054 97 T HA 0.234 4.584 4.350 -0.000 0.000 0.259 97 T C 0.996 175.716 174.700 0.033 0.000 1.092 97 T CA 0.520 62.582 62.100 -0.064 0.000 1.121 97 T CB 0.057 68.879 68.868 -0.076 0.000 0.912 97 T HN 0.589 nan 8.240 nan 0.000 0.489 98 A N 2.393 125.263 122.820 0.083 0.000 2.540 98 A HA 0.172 4.492 4.320 -0.000 0.000 0.239 98 A C 1.590 179.289 177.584 0.193 0.000 1.061 98 A CA -0.199 51.926 52.037 0.147 0.000 0.758 98 A CB 0.284 19.406 19.000 0.203 0.000 0.991 98 A HN 0.546 nan 8.150 nan 0.000 0.502 99 K N 1.763 122.223 120.400 0.101 0.000 2.228 99 K HA -0.289 4.030 4.320 -0.000 0.000 0.205 99 K C 0.900 177.537 176.600 0.061 0.000 1.045 99 K CA 2.046 58.376 56.287 0.072 0.000 0.931 99 K CB -0.357 32.157 32.500 0.023 0.000 0.727 99 K HN 0.753 nan 8.250 nan 0.000 0.458 100 Q N 0.113 119.926 119.800 0.020 0.000 2.364 100 Q HA -0.083 4.257 4.340 -0.000 0.000 0.207 100 Q C 1.181 177.110 176.000 -0.118 0.000 0.970 100 Q CA 1.326 57.048 55.803 -0.134 0.000 0.888 100 Q CB -0.622 27.897 28.738 -0.365 0.000 0.951 100 Q HN 0.524 nan 8.270 nan 0.000 0.469 101 W N 1.021 122.382 121.300 0.101 0.000 3.139 101 W HA 0.182 4.842 4.660 -0.000 0.000 0.260 101 W C 1.418 178.000 176.519 0.106 0.000 1.312 101 W CA -0.425 56.997 57.345 0.128 0.000 1.606 101 W CB -0.102 29.406 29.460 0.080 0.000 1.118 101 W HN 0.207 nan 8.180 nan 0.000 0.675 102 N N 0.474 119.313 118.700 0.232 0.000 2.098 102 N HA -0.204 4.536 4.740 -0.000 0.000 0.185 102 N C 1.401 177.018 175.510 0.179 0.000 0.956 102 N CA 2.283 55.433 53.050 0.166 0.000 0.888 102 N CB -0.934 37.614 38.487 0.101 0.000 1.053 102 N HN 0.174 nan 8.380 nan 0.000 0.751 103 G N 0.638 109.530 108.800 0.154 0.000 4.084 103 G HA2 0.427 4.387 3.960 -0.000 0.000 0.293 103 G HA3 0.427 4.387 3.960 -0.000 0.000 0.293 103 G C -0.005 175.055 174.900 0.267 0.000 1.303 103 G CA -0.312 44.901 45.100 0.187 0.000 1.289 103 G HN 0.228 nan 8.290 nan 0.000 0.609 104 I N 2.368 123.128 120.570 0.317 0.000 2.315 104 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 104 I C 0.831 177.231 176.117 0.471 0.000 1.006 104 I CA -0.467 61.098 61.300 0.441 0.000 1.265 104 I CB 1.494 39.699 38.000 0.341 0.000 1.387 104 I HN 0.182 nan 8.210 nan 0.000 0.475 105 T N 2.935 117.786 114.554 0.495 0.000 2.937 105 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 105 T C 1.224 176.022 174.700 0.164 0.000 1.012 105 T CA -0.887 61.338 62.100 0.208 0.000 0.997 105 T CB 1.512 70.394 68.868 0.023 0.000 1.136 105 T HN 0.404 nan 8.240 nan 0.000 0.551 106 L N 0.095 121.410 121.223 0.153 0.000 2.083 106 L HA -0.040 4.300 4.340 -0.000 0.000 0.209 106 L C 2.561 179.413 176.870 -0.030 0.000 1.083 106 L CA 1.004 55.952 54.840 0.181 0.000 0.752 106 L CB -0.760 41.449 42.059 0.250 0.000 0.899 106 L HN 0.596 nan 8.230 nan 0.000 0.433 107 L N -0.484 120.662 121.223 -0.129 0.000 2.012 107 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 107 L C 2.724 179.498 176.870 -0.161 0.000 1.073 107 L CA 1.908 56.599 54.840 -0.248 0.000 0.748 107 L CB -0.794 41.123 42.059 -0.236 0.000 0.891 107 L HN 0.255 nan 8.230 nan 0.000 0.431 108 H N -0.385 118.741 119.070 0.092 0.000 2.352 108 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 108 H C 2.376 177.692 175.328 -0.020 0.000 1.097 108 H CA 2.041 58.136 56.048 0.079 0.000 1.311 108 H CB -0.542 29.284 29.762 0.107 0.000 1.377 108 H HN 0.369 nan 8.280 nan 0.000 0.504 109 L N 0.023 121.315 121.223 0.115 0.000 2.046 109 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 109 L C 2.768 179.536 176.870 -0.171 0.000 1.077 109 L CA 1.079 55.947 54.840 0.046 0.000 0.747 109 L CB -0.510 41.647 42.059 0.164 0.000 0.896 109 L HN 0.218 nan 8.230 nan 0.000 0.432 110 A N -0.536 122.009 122.820 -0.459 0.000 2.066 110 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 110 A C 2.073 179.233 177.584 -0.707 0.000 1.157 110 A CA 1.744 53.298 52.037 -0.806 0.000 0.670 110 A CB -0.558 17.620 19.000 -1.369 0.000 0.804 110 A HN 0.505 nan 8.150 nan 0.000 0.453 111 T N -6.323 107.924 114.554 -0.511 0.000 3.129 111 T HA 0.298 4.648 4.350 -0.000 0.000 0.267 111 T C 0.282 174.731 174.700 -0.418 0.000 1.018 111 T CA 0.243 62.050 62.100 -0.487 0.000 0.903 111 T CB -0.597 68.270 68.868 -0.001 0.000 1.067 111 T HN 0.678 nan 8.240 nan 0.000 0.549 112 Y N 0.850 121.126 120.300 -0.039 0.000 4.409 112 Y HA -0.262 4.288 4.550 -0.000 0.000 0.228 112 Y C 1.239 177.089 175.900 -0.083 0.000 1.108 112 Y CA 0.599 58.674 58.100 -0.042 0.000 1.955 112 Y CB -3.145 35.301 38.460 -0.023 0.000 1.615 112 Y HN 0.605 nan 8.280 nan 0.000 0.665 113 T N -4.010 110.533 114.554 -0.019 0.000 3.214 113 T HA 0.690 5.040 4.350 -0.000 0.000 0.264 113 T C 1.496 176.163 174.700 -0.055 0.000 1.012 113 T CA 0.188 62.197 62.100 -0.151 0.000 0.901 113 T CB 0.512 69.069 68.868 -0.519 0.000 1.070 113 T HN 0.503 nan 8.240 nan 0.000 0.561 114 A N 1.448 124.288 122.820 0.034 0.000 1.968 114 A HA 0.553 4.873 4.320 -0.000 0.000 0.217 114 A C 1.918 179.567 177.584 0.108 0.000 1.169 114 A CA 0.760 52.798 52.037 0.002 0.000 0.638 114 A CB -0.762 18.223 19.000 -0.024 0.000 0.812 114 A HN 1.455 nan 8.150 nan 0.000 0.446 115 G N -3.434 105.524 108.800 0.262 0.000 2.192 115 G HA2 0.432 4.392 3.960 -0.000 0.000 0.152 115 G HA3 0.432 4.392 3.960 -0.000 0.000 0.152 115 G C 0.950 176.217 174.900 0.613 0.000 1.057 115 G CA 0.407 45.782 45.100 0.457 0.000 0.748 115 G HN 1.945 nan 8.290 nan 0.000 0.488 116 G N -0.876 108.286 108.800 0.603 0.000 2.148 116 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.157 116 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.157 116 G C 0.421 175.597 174.900 0.460 0.000 1.012 116 G CA -0.086 45.334 45.100 0.533 0.000 0.677 116 G HN 1.175 nan 8.290 nan 0.000 0.506 117 L N 2.365 123.697 121.223 0.183 0.000 2.540 117 L HA 0.248 4.588 4.340 -0.000 0.000 0.276 117 L C -1.073 175.872 176.870 0.124 0.000 1.212 117 L CA -1.340 53.436 54.840 -0.107 0.000 0.893 117 L CB 0.318 42.234 42.059 -0.239 0.000 1.138 117 L HN 0.032 nan 8.230 nan 0.000 0.491 118 P HA -0.103 nan 4.420 nan 0.000 0.267 118 P C 0.524 177.910 177.300 0.144 0.000 1.200 118 P CA -0.254 62.964 63.100 0.196 0.000 0.772 118 P CB 0.764 32.622 31.700 0.263 0.000 0.855 119 L N 0.859 122.153 121.223 0.118 0.000 2.079 119 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 119 L C 0.884 177.796 176.870 0.071 0.000 1.081 119 L CA 2.186 57.075 54.840 0.081 0.000 0.752 119 L CB -0.571 41.547 42.059 0.099 0.000 0.896 119 L HN 0.378 nan 8.230 nan 0.000 0.433 120 Q N -1.422 118.423 119.800 0.075 0.000 2.423 120 Q HA 0.472 4.812 4.340 -0.000 0.000 0.278 120 Q C -1.374 174.621 176.000 -0.008 0.000 1.097 120 Q CA -0.685 55.146 55.803 0.047 0.000 0.809 120 Q CB 2.195 30.950 28.738 0.027 0.000 1.391 120 Q HN -0.066 nan 8.270 nan 0.000 0.428 121 V N 4.513 124.385 119.914 -0.070 0.000 2.408 121 V HA 0.357 4.477 4.120 -0.000 0.000 0.267 121 V C -2.038 173.894 176.094 -0.269 0.000 1.047 121 V CA -1.530 60.587 62.300 -0.306 0.000 0.937 121 V CB 0.492 32.157 31.823 -0.262 0.000 0.999 121 V HN 0.757 nan 8.190 nan 0.000 0.472 122 P HA 0.039 nan 4.420 nan 0.000 0.260 122 P C 0.271 177.482 177.300 -0.147 0.000 1.172 122 P CA 0.105 63.087 63.100 -0.196 0.000 0.760 122 P CB 0.562 32.167 31.700 -0.158 0.000 0.773 123 D N 2.363 122.720 120.400 -0.071 0.000 2.203 123 D HA -0.206 4.434 4.640 -0.000 0.000 0.199 123 D C 1.305 177.583 176.300 -0.037 0.000 0.997 123 D CA 1.575 55.552 54.000 -0.038 0.000 0.863 123 D CB -0.241 40.552 40.800 -0.013 0.000 0.928 123 D HN 0.586 nan 8.370 nan 0.000 0.458 124 E N -0.215 119.959 120.200 -0.042 0.000 2.338 124 E HA -0.020 4.330 4.350 -0.000 0.000 0.197 124 E C 0.215 176.794 176.600 -0.034 0.000 1.007 124 E CA 0.172 56.556 56.400 -0.027 0.000 0.849 124 E CB 0.238 29.930 29.700 -0.014 0.000 0.774 124 E HN 0.077 nan 8.360 nan 0.000 0.506 125 V N 2.229 122.097 119.914 -0.077 0.000 2.397 125 V HA 0.004 4.124 4.120 -0.000 0.000 0.262 125 V C 0.945 177.014 176.094 -0.041 0.000 1.047 125 V CA 0.559 62.811 62.300 -0.079 0.000 1.003 125 V CB 0.709 32.415 31.823 -0.195 0.000 1.037 125 V HN 0.162 nan 8.190 nan 0.000 0.480 126 K N 2.339 122.735 120.400 -0.007 0.000 2.309 126 K HA 0.154 4.474 4.320 -0.000 0.000 0.210 126 K C 1.197 177.805 176.600 0.013 0.000 1.114 126 K CA 0.498 56.786 56.287 0.003 0.000 0.912 126 K CB 0.422 32.926 32.500 0.007 0.000 1.198 126 K HN 0.669 nan 8.250 nan 0.000 0.471 127 S N 0.468 116.184 115.700 0.028 0.000 2.645 127 S HA 0.064 4.534 4.470 -0.000 0.000 0.266 127 S C 1.162 175.801 174.600 0.065 0.000 1.258 127 S CA -0.211 58.013 58.200 0.039 0.000 0.990 127 S CB 1.557 64.783 63.200 0.044 0.000 0.967 127 S HN 0.215 nan 8.310 nan 0.000 0.556 128 S N 1.514 117.254 115.700 0.067 0.000 2.399 128 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 128 S C 1.962 176.670 174.600 0.181 0.000 1.022 128 S CA 1.200 59.461 58.200 0.102 0.000 0.983 128 S CB -0.956 62.284 63.200 0.067 0.000 0.803 128 S HN 0.708 nan 8.310 nan 0.000 0.480 129 S N 1.655 117.435 115.700 0.134 0.000 2.345 129 S HA -0.138 4.332 4.470 -0.000 0.000 0.220 129 S C 1.585 176.271 174.600 0.142 0.000 1.031 129 S CA 1.335 59.614 58.200 0.132 0.000 0.996 129 S CB -0.626 62.626 63.200 0.087 0.000 0.882 129 S HN 0.453 nan 8.310 nan 0.000 0.445 130 D N 0.942 121.414 120.400 0.119 0.000 2.144 130 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 130 D C 1.869 178.274 176.300 0.175 0.000 0.984 130 D CA 0.598 54.667 54.000 0.114 0.000 0.834 130 D CB -0.454 40.387 40.800 0.067 0.000 0.955 130 D HN 0.262 nan 8.370 nan 0.000 0.465 131 L N 0.593 121.942 121.223 0.209 0.000 1.994 131 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 131 L C 2.270 179.432 176.870 0.487 0.000 1.071 131 L CA 1.281 56.322 54.840 0.336 0.000 0.745 131 L CB -0.733 41.542 42.059 0.359 0.000 0.892 131 L HN 0.049 nan 8.230 nan 0.000 0.431 132 L N -0.774 120.715 121.223 0.443 0.000 2.046 132 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 132 L C 2.677 179.616 176.870 0.115 0.000 1.077 132 L CA 1.648 56.626 54.840 0.231 0.000 0.747 132 L CB -0.510 41.645 42.059 0.160 0.000 0.896 132 L HN 0.214 nan 8.230 nan 0.000 0.432 133 R N -1.185 119.401 120.500 0.144 0.000 2.096 133 R HA -0.266 4.074 4.340 -0.000 0.000 0.240 133 R C 2.271 178.655 176.300 0.140 0.000 1.139 133 R CA 2.293 58.463 56.100 0.116 0.000 0.952 133 R CB -0.671 29.705 30.300 0.127 0.000 0.854 133 R HN 0.505 nan 8.270 nan 0.000 0.436 134 F N 0.173 120.136 119.950 0.021 0.000 2.065 134 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 134 F C 1.665 177.461 175.800 -0.007 0.000 1.112 134 F CA 1.617 59.585 58.000 -0.054 0.000 1.212 134 F CB -0.720 38.157 39.000 -0.206 0.000 0.975 134 F HN 0.039 nan 8.300 nan 0.000 0.476 135 Y N 0.551 120.816 120.300 -0.060 0.000 2.242 135 Y HA -0.176 4.374 4.550 0.000 0.000 0.291 135 Y C 2.676 178.701 175.900 0.208 0.000 1.137 135 Y CA 1.609 59.683 58.100 -0.043 0.000 1.181 135 Y CB -1.017 37.372 38.460 -0.118 0.000 0.989 135 Y HN 0.173 nan 8.280 nan 0.000 0.527 136 Q N -0.061 119.840 119.800 0.169 0.000 2.167 136 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 136 Q C 1.397 177.509 176.000 0.187 0.000 0.970 136 Q CA 1.372 57.272 55.803 0.161 0.000 0.855 136 Q CB -0.380 28.359 28.738 0.002 0.000 0.911 136 Q HN 0.677 nan 8.270 nan 0.000 0.438 137 N N -0.965 117.809 118.700 0.122 0.000 2.405 137 N HA -0.054 4.686 4.740 -0.000 0.000 0.175 137 N C 0.034 175.574 175.510 0.051 0.000 1.051 137 N CA -0.404 52.686 53.050 0.065 0.000 0.899 137 N CB 0.154 38.671 38.487 0.050 0.000 1.000 137 N HN 0.147 nan 8.380 nan 0.000 0.451 138 W N 3.183 124.389 121.300 -0.156 0.000 2.409 138 W HA -0.054 4.606 4.660 -0.000 0.000 0.338 138 W C -0.477 175.945 176.519 -0.162 0.000 1.273 138 W CA 0.229 57.447 57.345 -0.211 0.000 1.299 138 W CB 0.439 29.753 29.460 -0.243 0.000 1.192 138 W HN -0.030 nan 8.180 nan 0.000 0.565 139 Q N 8.780 128.036 119.800 -0.907 0.000 2.368 139 Q HA 0.298 4.638 4.340 -0.000 0.000 0.263 139 Q C -1.897 173.187 176.000 -1.527 0.000 1.009 139 Q CA -2.120 53.073 55.803 -1.017 0.000 0.818 139 Q CB 1.004 29.437 28.738 -0.508 0.000 1.239 139 Q HN 0.366 nan 8.270 nan 0.000 0.464 140 P HA 0.014 nan 4.420 nan 0.000 0.269 140 P C -0.312 176.577 177.300 -0.685 0.000 1.217 140 P CA 0.126 62.481 63.100 -1.241 0.000 0.783 140 P CB 0.929 32.138 31.700 -0.818 0.000 0.898 141 A N 1.387 123.851 122.820 -0.594 0.000 2.140 141 A HA 0.205 4.525 4.320 -0.000 0.000 0.209 141 A C 0.361 177.320 177.584 -1.042 0.000 1.181 141 A CA 0.351 51.815 52.037 -0.955 0.000 0.824 141 A CB -0.017 18.077 19.000 -1.510 0.000 0.879 141 A HN 0.588 nan 8.150 nan 0.000 0.480 142 W N -2.333 118.924 121.300 -0.073 0.000 3.047 142 W HA 0.649 5.309 4.660 -0.000 0.000 0.341 142 W C -0.057 176.412 176.519 -0.083 0.000 1.225 142 W CA -1.230 56.075 57.345 -0.066 0.000 1.150 142 W CB 1.033 30.469 29.460 -0.041 0.000 1.470 142 W HN 0.126 nan 8.180 nan 0.000 0.578 143 A N 2.458 125.394 122.820 0.192 0.000 2.445 143 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 143 A C -2.198 175.411 177.584 0.042 0.000 1.075 143 A CA -0.800 51.278 52.037 0.068 0.000 0.777 143 A CB -0.765 18.273 19.000 0.062 0.000 1.013 143 A HN 0.107 nan 8.150 nan 0.000 0.493 144 P HA 0.219 nan 4.420 nan 0.000 0.265 144 P C 0.905 178.083 177.300 -0.203 0.000 1.187 144 P CA 1.780 64.723 63.100 -0.261 0.000 0.766 144 P CB 0.440 31.853 31.700 -0.478 0.000 0.820 145 G N 1.726 110.383 108.800 -0.237 0.000 2.160 145 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.251 145 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.251 145 G C 0.634 175.502 174.900 -0.053 0.000 1.008 145 G CA 0.709 45.808 45.100 -0.002 0.000 0.724 145 G HN 0.694 nan 8.290 nan 0.000 0.514 146 T N -4.829 109.646 114.554 -0.131 0.000 2.964 146 T HA 0.523 4.873 4.350 -0.000 0.000 0.250 146 T C 0.578 175.122 174.700 -0.261 0.000 0.982 146 T CA 1.044 63.072 62.100 -0.120 0.000 0.959 146 T CB 0.775 69.614 68.868 -0.049 0.000 1.141 146 T HN 0.377 nan 8.240 nan 0.000 0.494 147 Q N 0.895 120.488 119.800 -0.344 0.000 2.359 147 Q HA 0.546 4.886 4.340 -0.000 0.000 0.274 147 Q C -1.213 174.570 176.000 -0.362 0.000 1.074 147 Q CA -0.699 54.814 55.803 -0.484 0.000 0.810 147 Q CB 2.552 30.675 28.738 -1.026 0.000 1.342 147 Q HN 0.380 nan 8.270 nan 0.000 0.427 148 R N 2.880 123.199 120.500 -0.301 0.000 2.312 148 R HA 0.613 4.953 4.340 -0.000 0.000 0.311 148 R C -1.518 174.732 176.300 -0.084 0.000 1.004 148 R CA -0.558 55.448 56.100 -0.157 0.000 0.902 148 R CB 0.546 30.787 30.300 -0.099 0.000 1.073 148 R HN 0.564 nan 8.270 nan 0.000 0.457 149 L N 5.870 127.114 121.223 0.035 0.000 2.485 149 L HA 0.243 4.583 4.340 -0.000 0.000 0.260 149 L C -1.434 175.438 176.870 0.003 0.000 0.998 149 L CA -0.717 54.165 54.840 0.069 0.000 0.883 149 L CB 0.879 43.052 42.059 0.189 0.000 1.196 149 L HN 0.632 nan 8.230 nan 0.000 0.443 150 Y N 4.392 124.518 120.300 -0.289 0.000 2.887 150 Y HA 0.296 4.846 4.550 -0.000 0.000 0.350 150 Y C 0.103 175.808 175.900 -0.324 0.000 1.294 150 Y CA 0.948 58.658 58.100 -0.650 0.000 1.622 150 Y CB 0.176 38.384 38.460 -0.420 0.000 1.201 150 Y HN 0.740 nan 8.280 nan 0.000 0.546 151 A N 5.729 128.144 122.820 -0.676 0.000 2.459 151 A HA 0.380 4.700 4.320 -0.000 0.000 0.296 151 A C 0.092 177.590 177.584 -0.142 0.000 1.039 151 A CA -0.903 51.005 52.037 -0.216 0.000 0.698 151 A CB 1.011 20.033 19.000 0.037 0.000 1.261 151 A HN 0.740 nan 8.150 nan 0.000 0.405 152 N N 0.937 119.604 118.700 -0.055 0.000 2.300 152 N HA -0.122 4.618 4.740 -0.000 0.000 0.179 152 N C 2.032 177.617 175.510 0.125 0.000 1.016 152 N CA 1.752 54.840 53.050 0.064 0.000 0.876 152 N CB -0.037 38.547 38.487 0.161 0.000 0.979 152 N HN 0.803 nan 8.380 nan 0.000 0.432 153 S N -0.837 114.955 115.700 0.155 0.000 2.447 153 S HA -0.017 4.453 4.470 -0.000 0.000 0.233 153 S C 2.074 176.851 174.600 0.295 0.000 1.006 153 S CA 1.192 59.555 58.200 0.272 0.000 0.957 153 S CB -0.148 63.256 63.200 0.341 0.000 0.773 153 S HN 0.192 nan 8.310 nan 0.000 0.507 154 S N 1.006 116.826 115.700 0.199 0.000 2.327 154 S HA 0.224 4.694 4.470 -0.000 0.000 0.213 154 S C 1.708 176.394 174.600 0.142 0.000 1.032 154 S CA 0.589 58.890 58.200 0.168 0.000 0.960 154 S CB -0.601 62.715 63.200 0.193 0.000 0.900 154 S HN 0.569 nan 8.310 nan 0.000 0.469 155 I N 1.268 121.922 120.570 0.139 0.000 2.394 155 I HA -0.055 4.115 4.170 -0.000 0.000 0.251 155 I C 2.200 178.390 176.117 0.122 0.000 1.136 155 I CA 1.182 62.545 61.300 0.105 0.000 1.425 155 I CB -0.772 37.266 38.000 0.063 0.000 1.079 155 I HN 0.502 nan 8.210 nan 0.000 0.425 156 G N 1.067 109.911 108.800 0.075 0.000 2.446 156 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 156 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 156 G C 1.548 176.413 174.900 -0.058 0.000 1.168 156 G CA 0.783 45.864 45.100 -0.031 0.000 0.771 156 G HN 0.379 nan 8.290 nan 0.000 0.551 157 L N -0.255 120.989 121.223 0.034 0.000 2.141 157 L HA 0.127 4.467 4.340 -0.000 0.000 0.209 157 L C 2.393 179.244 176.870 -0.032 0.000 1.094 157 L CA 1.475 56.294 54.840 -0.034 0.000 0.763 157 L CB -0.652 41.359 42.059 -0.081 0.000 0.908 157 L HN 0.238 nan 8.230 nan 0.000 0.437 158 F N 0.267 120.162 119.950 -0.091 0.000 2.113 158 F HA 0.017 4.544 4.527 -0.000 0.000 0.297 158 F C 2.190 177.927 175.800 -0.106 0.000 1.103 158 F CA 1.518 59.461 58.000 -0.095 0.000 1.248 158 F CB -1.056 37.893 39.000 -0.085 0.000 0.999 158 F HN 0.097 nan 8.300 nan 0.000 0.475 159 G N 0.059 108.737 108.800 -0.204 0.000 2.476 159 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.218 159 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.218 159 G C 1.840 176.576 174.900 -0.273 0.000 1.164 159 G CA 1.131 46.084 45.100 -0.245 0.000 0.768 159 G HN 0.651 nan 8.290 nan 0.000 0.560 160 A N 0.437 123.060 122.820 -0.328 0.000 1.898 160 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 160 A C 2.455 179.870 177.584 -0.281 0.000 1.181 160 A CA 1.386 53.251 52.037 -0.285 0.000 0.620 160 A CB -0.347 18.463 19.000 -0.317 0.000 0.819 160 A HN 0.373 nan 8.150 nan 0.000 0.442 161 L N -0.861 120.166 121.223 -0.327 0.000 2.109 161 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 161 L C 3.006 179.607 176.870 -0.450 0.000 1.086 161 L CA 0.811 55.453 54.840 -0.330 0.000 0.760 161 L CB -0.711 41.200 42.059 -0.246 0.000 0.910 161 L HN 0.379 nan 8.230 nan 0.000 0.437 162 A N 0.653 123.112 122.820 -0.602 0.000 1.958 162 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 162 A C 2.321 179.696 177.584 -0.349 0.000 1.178 162 A CA 2.349 54.022 52.037 -0.607 0.000 0.642 162 A CB -0.971 17.581 19.000 -0.746 0.000 0.816 162 A HN 0.375 nan 8.150 nan 0.000 0.453 163 V N -3.373 116.397 119.914 -0.239 0.000 2.951 163 V HA -0.073 4.047 4.120 -0.000 0.000 0.255 163 V C 1.887 177.912 176.094 -0.115 0.000 1.088 163 V CA 1.347 63.558 62.300 -0.148 0.000 1.109 163 V CB -0.609 31.158 31.823 -0.093 0.000 0.724 163 V HN 0.358 nan 8.190 nan 0.000 0.471 164 K N 1.428 121.759 120.400 -0.115 0.000 2.030 164 K HA -0.175 4.145 4.320 -0.000 0.000 0.222 164 K C 0.429 177.026 176.600 -0.005 0.000 1.056 164 K CA 2.540 58.799 56.287 -0.047 0.000 0.957 164 K CB -2.296 30.210 32.500 0.011 0.000 0.727 164 K HN 0.481 nan 8.250 nan 0.000 0.452 165 P HA -0.155 nan 4.420 nan 0.000 0.216 165 P C 1.557 178.854 177.300 -0.006 0.000 1.150 165 P CA 1.908 65.033 63.100 0.041 0.000 0.843 165 P CB -0.251 31.494 31.700 0.074 0.000 0.787 166 S N -1.518 114.159 115.700 -0.038 0.000 2.442 166 S HA 0.009 4.479 4.470 -0.000 0.000 0.236 166 S C 1.928 176.500 174.600 -0.047 0.000 1.007 166 S CA 1.320 59.491 58.200 -0.050 0.000 0.965 166 S CB -1.526 61.627 63.200 -0.078 0.000 0.773 166 S HN 0.357 nan 8.310 nan 0.000 0.504 167 G N 0.549 109.323 108.800 -0.044 0.000 2.267 167 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 167 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 167 G C 0.028 174.895 174.900 -0.054 0.000 0.998 167 G CA 0.441 45.515 45.100 -0.042 0.000 0.620 167 G HN 0.623 nan 8.290 nan 0.000 0.529 168 L N 1.585 122.766 121.223 -0.070 0.000 2.439 168 L HA 0.663 5.003 4.340 -0.000 0.000 0.259 168 L C 1.393 178.217 176.870 -0.078 0.000 1.129 168 L CA -0.228 54.565 54.840 -0.080 0.000 0.803 168 L CB 1.037 43.035 42.059 -0.103 0.000 1.161 168 L HN 0.385 nan 8.230 nan 0.000 0.462 169 S N -0.216 115.441 115.700 -0.071 0.000 2.603 169 S HA 0.136 4.606 4.470 -0.000 0.000 0.268 169 S C 0.854 175.423 174.600 -0.051 0.000 1.317 169 S CA -0.406 57.767 58.200 -0.045 0.000 1.012 169 S CB 0.455 63.634 63.200 -0.035 0.000 0.926 169 S HN 0.546 nan 8.310 nan 0.000 0.539 170 F N 1.218 121.079 119.950 -0.148 0.000 2.091 170 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 170 F C 2.488 178.179 175.800 -0.183 0.000 1.103 170 F CA 2.378 60.276 58.000 -0.171 0.000 1.228 170 F CB -0.397 38.502 39.000 -0.168 0.000 0.984 170 F HN 0.925 nan 8.300 nan 0.000 0.477 171 E N -0.204 119.935 120.200 -0.102 0.000 2.047 171 E HA -0.286 4.064 4.350 -0.000 0.000 0.191 171 E C 2.198 178.645 176.600 -0.255 0.000 0.987 171 E CA 1.539 57.831 56.400 -0.179 0.000 0.799 171 E CB -0.156 29.532 29.700 -0.020 0.000 0.752 171 E HN 0.721 nan 8.360 nan 0.000 0.449 172 Q N 0.103 119.795 119.800 -0.180 0.000 2.084 172 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 172 Q C 2.139 177.985 176.000 -0.258 0.000 0.978 172 Q CA 1.473 57.168 55.803 -0.179 0.000 0.844 172 Q CB -0.361 28.309 28.738 -0.112 0.000 0.898 172 Q HN 0.179 nan 8.270 nan 0.000 0.426 173 A N 1.123 123.761 122.820 -0.302 0.000 1.902 173 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 173 A C 2.164 179.458 177.584 -0.482 0.000 1.181 173 A CA 1.735 53.569 52.037 -0.339 0.000 0.623 173 A CB -0.578 18.226 19.000 -0.327 0.000 0.818 173 A HN 0.454 nan 8.150 nan 0.000 0.443 174 M N -0.390 118.782 119.600 -0.712 0.000 2.067 174 M HA -0.195 4.285 4.480 -0.000 0.000 0.260 174 M C 2.166 177.819 176.300 -1.079 0.000 1.069 174 M CA 2.002 56.729 55.300 -0.955 0.000 1.117 174 M CB -0.538 31.360 32.600 -1.170 0.000 1.334 174 M HN 0.444 nan 8.290 nan 0.000 0.407 175 Q N -0.637 118.641 119.800 -0.871 0.000 2.112 175 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 175 Q C 2.070 177.879 176.000 -0.317 0.000 0.987 175 Q CA 2.581 58.052 55.803 -0.553 0.000 0.858 175 Q CB -0.808 27.774 28.738 -0.260 0.000 0.905 175 Q HN 0.828 nan 8.270 nan 0.000 0.420 176 T N -2.028 112.358 114.554 -0.279 0.000 2.894 176 T HA 0.029 4.379 4.350 -0.000 0.000 0.258 176 T C 1.802 176.414 174.700 -0.147 0.000 1.043 176 T CA 0.363 62.360 62.100 -0.171 0.000 1.141 176 T CB -0.075 68.708 68.868 -0.143 0.000 0.873 176 T HN 0.164 nan 8.240 nan 0.000 0.449 177 R N 0.455 120.841 120.500 -0.191 0.000 2.246 177 R HA 0.297 4.637 4.340 -0.000 0.000 0.199 177 R C 1.707 177.945 176.300 -0.102 0.000 0.984 177 R CA 0.455 56.475 56.100 -0.133 0.000 1.015 177 R CB 0.129 30.340 30.300 -0.148 0.000 0.930 177 R HN 0.348 nan 8.270 nan 0.000 0.475 178 V N -1.185 118.622 119.914 -0.179 0.000 3.134 178 V HA 0.021 4.140 4.120 -0.000 0.000 0.222 178 V C 1.523 177.681 176.094 0.107 0.000 1.247 178 V CA 0.344 62.614 62.300 -0.049 0.000 1.281 178 V CB -0.483 31.295 31.823 -0.075 0.000 1.169 178 V HN -0.045 nan 8.190 nan 0.000 0.512 179 F N 1.624 121.493 119.950 -0.136 0.000 2.095 179 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 179 F C 2.589 178.308 175.800 -0.134 0.000 1.104 179 F CA 1.408 59.301 58.000 -0.177 0.000 1.232 179 F CB -1.327 37.481 39.000 -0.319 0.000 0.987 179 F HN 0.204 nan 8.300 nan 0.000 0.475 180 Q N 0.355 120.207 119.800 0.086 0.000 1.935 180 Q HA -0.208 4.132 4.340 -0.000 0.000 0.212 180 Q C -0.340 175.667 176.000 0.013 0.000 1.008 180 Q CA 2.370 58.177 55.803 0.007 0.000 0.868 180 Q CB -1.808 26.909 28.738 -0.036 0.000 0.946 180 Q HN 0.229 nan 8.270 nan 0.000 0.418 181 P HA -0.169 nan 4.420 nan 0.000 0.222 181 P C 0.642 177.972 177.300 0.049 0.000 1.142 181 P CA 1.372 64.486 63.100 0.024 0.000 0.788 181 P CB -0.029 31.686 31.700 0.025 0.000 0.767 182 L N -1.836 119.436 121.223 0.083 0.000 2.640 182 L HA 0.208 4.548 4.340 -0.000 0.000 0.230 182 L C 0.626 177.534 176.870 0.062 0.000 1.123 182 L CA 0.029 54.932 54.840 0.104 0.000 0.900 182 L CB -0.381 41.805 42.059 0.212 0.000 1.146 182 L HN -0.116 nan 8.230 nan 0.000 0.484 183 K N 0.549 120.963 120.400 0.024 0.000 3.192 183 K HA -0.161 4.159 4.320 -0.000 0.000 0.278 183 K C -0.205 176.365 176.600 -0.050 0.000 1.164 183 K CA 0.327 56.603 56.287 -0.018 0.000 0.816 183 K CB -1.755 30.741 32.500 -0.008 0.000 1.256 183 K HN 0.268 nan 8.250 nan 0.000 0.497 184 L N 1.436 122.615 121.223 -0.073 0.000 2.395 184 L HA 0.108 4.448 4.340 -0.000 0.000 0.268 184 L C 1.104 177.745 176.870 -0.381 0.000 1.223 184 L CA -0.435 54.282 54.840 -0.205 0.000 1.093 184 L CB -0.032 41.848 42.059 -0.298 0.000 1.349 184 L HN 0.181 nan 8.230 nan 0.000 0.427 185 N N 0.266 118.769 118.700 -0.327 0.000 2.494 185 N HA -0.067 4.673 4.740 -0.000 0.000 0.182 185 N C 0.898 175.935 175.510 -0.787 0.000 1.076 185 N CA 0.871 53.614 53.050 -0.510 0.000 0.908 185 N CB 0.215 38.448 38.487 -0.424 0.000 0.967 185 N HN 0.567 nan 8.380 nan 0.000 0.449 186 H N -0.417 118.438 119.070 -0.359 0.000 2.467 186 H HA 0.250 4.806 4.556 -0.000 0.000 0.275 186 H C -0.219 174.788 175.328 -0.535 0.000 1.131 186 H CA -0.053 55.839 56.048 -0.261 0.000 0.989 186 H CB 0.351 30.104 29.762 -0.015 0.000 1.696 186 H HN -0.096 nan 8.280 nan 0.000 0.574 187 T N 1.206 115.160 114.554 -1.000 0.000 2.771 187 T HA 0.302 4.652 4.350 -0.000 0.000 0.281 187 T C -0.466 173.356 174.700 -1.464 0.000 0.982 187 T CA -0.453 60.945 62.100 -1.171 0.000 0.978 187 T CB 1.121 69.141 68.868 -1.413 0.000 0.930 187 T HN 0.244 nan 8.240 nan 0.000 0.447 188 W N 1.455 122.478 121.300 -0.461 0.000 3.029 188 W HA 0.621 5.281 4.660 0.000 0.000 0.339 188 W C 0.608 177.018 176.519 -0.182 0.000 1.198 188 W CA -0.854 56.349 57.345 -0.237 0.000 1.148 188 W CB 1.139 30.459 29.460 -0.232 0.000 1.451 188 W HN 0.437 nan 8.180 nan 0.000 0.564 189 I N 0.797 121.487 120.570 0.201 0.000 3.194 189 I HA 0.055 4.225 4.170 -0.000 0.000 0.271 189 I C 0.109 176.250 176.117 0.041 0.000 1.150 189 I CA 0.350 61.700 61.300 0.084 0.000 1.440 189 I CB 0.067 38.126 38.000 0.098 0.000 1.276 189 I HN 0.268 nan 8.210 nan 0.000 0.457 190 N N 2.207 120.954 118.700 0.078 0.000 2.444 190 N HA 0.211 4.951 4.740 -0.000 0.000 0.262 190 N C -0.660 174.776 175.510 -0.123 0.000 0.974 190 N CA -0.073 52.968 53.050 -0.016 0.000 0.933 190 N CB 2.459 40.942 38.487 -0.007 0.000 1.137 190 N HN -0.079 nan 8.380 nan 0.000 0.498 191 V N 2.055 121.803 119.914 -0.276 0.000 2.455 191 V HA 0.478 4.598 4.120 -0.000 0.000 0.273 191 V C -2.212 173.574 176.094 -0.513 0.000 1.045 191 V CA -1.423 60.542 62.300 -0.559 0.000 0.976 191 V CB 0.580 32.058 31.823 -0.575 0.000 0.993 191 V HN 0.422 nan 8.190 nan 0.000 0.475 192 P HA 0.385 nan 4.420 nan 0.000 0.278 192 P C -2.285 174.801 177.300 -0.357 0.000 1.238 192 P CA -1.924 60.870 63.100 -0.510 0.000 0.794 192 P CB 0.627 31.949 31.700 -0.629 0.000 0.955 193 P HA -0.313 nan 4.420 nan 0.000 0.219 193 P C 1.337 178.552 177.300 -0.143 0.000 1.158 193 P CA 2.514 65.527 63.100 -0.146 0.000 0.895 193 P CB -0.577 31.061 31.700 -0.103 0.000 0.792 194 A N -0.427 122.299 122.820 -0.157 0.000 2.024 194 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 194 A C 2.112 179.624 177.584 -0.120 0.000 1.164 194 A CA 1.547 53.516 52.037 -0.114 0.000 0.643 194 A CB -0.834 18.118 19.000 -0.080 0.000 0.806 194 A HN 0.149 nan 8.150 nan 0.000 0.451 195 E N -0.419 119.651 120.200 -0.216 0.000 2.474 195 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 195 E C 1.435 177.952 176.600 -0.138 0.000 1.041 195 E CA 0.246 56.538 56.400 -0.179 0.000 0.874 195 E CB -0.084 29.412 29.700 -0.339 0.000 0.914 195 E HN 0.766 nan 8.360 nan 0.000 0.498 196 E N 1.498 121.615 120.200 -0.139 0.000 2.219 196 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 196 E C 1.989 178.564 176.600 -0.043 0.000 0.998 196 E CA 1.012 57.367 56.400 -0.074 0.000 0.818 196 E CB -0.066 29.594 29.700 -0.068 0.000 0.741 196 E HN 0.121 nan 8.360 nan 0.000 0.477 197 K N 1.068 121.444 120.400 -0.039 0.000 2.365 197 K HA -0.109 4.210 4.320 -0.000 0.000 0.199 197 K C 0.572 177.165 176.600 -0.012 0.000 1.045 197 K CA 1.324 57.598 56.287 -0.021 0.000 0.962 197 K CB -0.087 32.406 32.500 -0.011 0.000 0.759 197 K HN 0.113 nan 8.250 nan 0.000 0.469 198 N N -0.075 118.618 118.700 -0.012 0.000 2.280 198 N HA -0.047 4.693 4.740 -0.000 0.000 0.192 198 N C -0.663 174.862 175.510 0.025 0.000 1.109 198 N CA -0.281 52.767 53.050 -0.003 0.000 0.855 198 N CB 0.079 38.556 38.487 -0.018 0.000 0.974 198 N HN 0.084 nan 8.380 nan 0.000 0.482 199 Y N 2.936 123.135 120.300 -0.169 0.000 2.556 199 Y HA 0.467 5.017 4.550 -0.000 0.000 0.352 199 Y C 0.243 176.008 175.900 -0.225 0.000 1.006 199 Y CA -2.105 55.860 58.100 -0.226 0.000 1.277 199 Y CB -0.978 37.286 38.460 -0.325 0.000 1.136 199 Y HN 0.003 nan 8.280 nan 0.000 0.523 200 A N 5.720 128.565 122.820 0.042 0.000 2.547 200 A HA -0.017 4.303 4.320 -0.000 0.000 0.233 200 A C -0.327 177.220 177.584 -0.061 0.000 1.067 200 A CA -0.082 51.934 52.037 -0.035 0.000 0.763 200 A CB 0.114 19.055 19.000 -0.099 0.000 1.007 200 A HN 0.906 nan 8.150 nan 0.000 0.506 201 W N 0.331 121.595 121.300 -0.059 0.000 2.316 201 W HA 0.486 5.146 4.660 -0.000 0.000 0.321 201 W C 0.846 176.960 176.519 -0.675 0.000 1.203 201 W CA 0.264 57.374 57.345 -0.392 0.000 1.214 201 W CB 1.358 30.466 29.460 -0.587 0.000 1.169 201 W HN 0.949 nan 8.180 nan 0.000 0.561 202 G N 1.559 110.145 108.800 -0.357 0.000 2.477 202 G HA2 0.503 4.463 3.960 -0.000 0.000 0.304 202 G HA3 0.503 4.463 3.960 -0.000 0.000 0.304 202 G C -2.227 172.206 174.900 -0.779 0.000 1.175 202 G CA -0.458 44.129 45.100 -0.855 0.000 0.907 202 G HN 0.406 nan 8.290 nan 0.000 0.509 203 Y N -0.006 120.186 120.300 -0.179 0.000 2.327 203 Y HA 0.470 5.019 4.550 -0.000 0.000 0.325 203 Y C 0.363 176.241 175.900 -0.036 0.000 0.999 203 Y CA -0.883 57.168 58.100 -0.082 0.000 1.195 203 Y CB 1.902 40.326 38.460 -0.060 0.000 1.132 203 Y HN 0.491 nan 8.280 nan 0.000 0.455 204 R N 3.896 124.455 120.500 0.098 0.000 2.435 204 R HA 0.328 4.668 4.340 -0.000 0.000 0.308 204 R C -0.700 175.640 176.300 0.065 0.000 0.975 204 R CA -0.227 55.921 56.100 0.081 0.000 0.867 204 R CB 0.657 30.991 30.300 0.057 0.000 1.171 204 R HN 0.941 nan 8.270 nan 0.000 0.470 205 E N 2.960 123.197 120.200 0.062 0.000 2.694 205 E HA -0.227 4.123 4.350 -0.000 0.000 0.272 205 E C 0.549 177.166 176.600 0.027 0.000 1.040 205 E CA 0.781 57.202 56.400 0.035 0.000 0.809 205 E CB -1.480 28.232 29.700 0.021 0.000 1.389 205 E HN 1.194 nan 8.360 nan 0.000 0.413 206 G N -0.183 108.645 108.800 0.047 0.000 2.234 206 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.260 206 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.260 206 G C 0.301 175.242 174.900 0.068 0.000 0.987 206 G CA 0.969 46.083 45.100 0.023 0.000 0.625 206 G HN 0.237 nan 8.290 nan 0.000 0.532 207 K N 1.241 121.676 120.400 0.058 0.000 2.234 207 K HA 0.682 5.002 4.320 -0.000 0.000 0.282 207 K C 0.558 177.124 176.600 -0.058 0.000 1.039 207 K CA 0.481 56.758 56.287 -0.017 0.000 0.928 207 K CB 1.502 33.970 32.500 -0.053 0.000 1.039 207 K HN 0.595 nan 8.250 nan 0.000 0.470 208 A N 2.808 125.462 122.820 -0.277 0.000 2.404 208 A HA 0.420 4.740 4.320 -0.000 0.000 0.273 208 A C -0.164 177.063 177.584 -0.595 0.000 1.144 208 A CA -0.478 51.130 52.037 -0.714 0.000 0.806 208 A CB -0.223 18.007 19.000 -1.284 0.000 1.080 208 A HN 0.556 nan 8.150 nan 0.000 0.509 209 V N 1.079 120.809 119.914 -0.307 0.000 2.962 209 V HA 0.703 4.823 4.120 -0.000 0.000 0.313 209 V C -0.608 175.590 176.094 0.173 0.000 1.099 209 V CA -0.850 61.433 62.300 -0.028 0.000 0.971 209 V CB 1.370 33.202 31.823 0.015 0.000 1.028 209 V HN 0.927 nan 8.190 nan 0.000 0.430 210 H N 0.495 119.759 119.070 0.324 0.000 2.622 210 H HA 0.660 5.216 4.556 -0.000 0.000 0.363 210 H C -0.571 174.888 175.328 0.218 0.000 1.151 210 H CA -0.946 55.237 56.048 0.224 0.000 1.184 210 H CB 2.291 32.085 29.762 0.053 0.000 1.643 210 H HN 0.781 nan 8.280 nan 0.000 0.531 211 V N 3.119 123.266 119.914 0.388 0.000 2.585 211 V HA 0.046 4.166 4.120 -0.000 0.000 0.296 211 V C -0.255 175.978 176.094 0.232 0.000 1.035 211 V CA 0.050 62.512 62.300 0.271 0.000 1.084 211 V CB 0.442 32.417 31.823 0.253 0.000 0.953 211 V HN 0.813 nan 8.190 nan 0.000 0.483 212 S N 8.466 124.278 115.700 0.188 0.000 2.601 212 S HA 0.554 5.024 4.470 -0.000 0.000 0.271 212 S C -2.341 172.363 174.600 0.173 0.000 1.305 212 S CA -0.966 57.328 58.200 0.157 0.000 1.022 212 S CB 0.902 64.172 63.200 0.116 0.000 0.940 212 S HN 0.830 nan 8.310 nan 0.000 0.525 213 P HA 0.608 nan 4.420 nan 0.000 0.274 213 P C 0.130 177.499 177.300 0.115 0.000 1.256 213 P CA -0.221 62.945 63.100 0.110 0.000 0.795 213 P CB 0.373 32.109 31.700 0.061 0.000 1.038 214 G N -1.556 107.296 108.800 0.086 0.000 2.349 214 G HA2 0.510 4.470 3.960 -0.000 0.000 0.294 214 G HA3 0.510 4.470 3.960 -0.000 0.000 0.294 214 G C -1.636 173.269 174.900 0.008 0.000 1.380 214 G CA -0.246 44.900 45.100 0.077 0.000 0.811 214 G HN 0.496 nan 8.290 nan 0.000 0.519 215 A N -0.382 122.435 122.820 -0.005 0.000 2.477 215 A HA 0.599 4.919 4.320 -0.000 0.000 0.246 215 A C 1.524 179.061 177.584 -0.079 0.000 1.078 215 A CA 0.633 52.644 52.037 -0.043 0.000 0.770 215 A CB -0.368 18.605 19.000 -0.045 0.000 1.011 215 A HN 1.825 nan 8.150 nan 0.000 0.494 216 L N 0.094 121.234 121.223 -0.138 0.000 4.555 216 L HA -0.370 3.970 4.340 -0.000 0.000 0.431 216 L C 1.491 178.117 176.870 -0.407 0.000 1.136 216 L CA 0.861 55.565 54.840 -0.228 0.000 0.972 216 L CB -1.883 40.110 42.059 -0.109 0.000 1.999 216 L HN 1.001 nan 8.230 nan 0.000 0.900 217 D N 0.761 120.881 120.400 -0.467 0.000 2.106 217 D HA -0.237 4.402 4.640 -0.000 0.000 0.191 217 D C 1.975 177.787 176.300 -0.813 0.000 0.997 217 D CA 1.819 55.202 54.000 -1.029 0.000 0.834 217 D CB -0.284 40.197 40.800 -0.532 0.000 0.956 217 D HN 0.458 nan 8.370 nan 0.000 0.448 218 A N 0.780 123.332 122.820 -0.446 0.000 1.892 218 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 218 A C 2.192 179.552 177.584 -0.372 0.000 1.188 218 A CA 2.332 54.197 52.037 -0.286 0.000 0.631 218 A CB -0.871 18.035 19.000 -0.157 0.000 0.822 218 A HN 0.275 nan 8.150 nan 0.000 0.447 219 E N -0.460 119.293 120.200 -0.746 0.000 2.150 219 E HA 0.077 4.427 4.350 -0.000 0.000 0.193 219 E C 1.986 178.413 176.600 -0.289 0.000 0.985 219 E CA 1.341 57.231 56.400 -0.850 0.000 0.814 219 E CB -0.261 28.917 29.700 -0.870 0.000 0.752 219 E HN 0.611 nan 8.360 nan 0.000 0.466 220 A N -0.518 122.135 122.820 -0.279 0.000 2.085 220 A HA 0.098 4.418 4.320 -0.000 0.000 0.208 220 A C 0.689 178.324 177.584 0.084 0.000 1.191 220 A CA 0.566 52.570 52.037 -0.054 0.000 0.799 220 A CB 0.031 19.059 19.000 0.047 0.000 0.877 220 A HN 0.405 nan 8.150 nan 0.000 0.473 221 Y N -4.349 115.971 120.300 0.034 0.000 2.998 221 Y HA 0.453 5.003 4.550 -0.000 0.000 0.264 221 Y C 0.821 176.745 175.900 0.040 0.000 1.092 221 Y CA -0.598 57.539 58.100 0.061 0.000 1.247 221 Y CB -0.491 38.013 38.460 0.073 0.000 1.283 221 Y HN -0.020 nan 8.280 nan 0.000 0.605 222 G N 0.834 109.594 108.800 -0.067 0.000 3.233 222 G HA2 0.358 4.318 3.960 -0.000 0.000 0.227 222 G HA3 0.358 4.318 3.960 -0.000 0.000 0.227 222 G C -0.169 174.723 174.900 -0.014 0.000 1.175 222 G CA 0.093 45.172 45.100 -0.035 0.000 0.781 222 G HN 0.128 nan 8.290 nan 0.000 0.542 223 V N 0.421 120.320 119.914 -0.024 0.000 2.607 223 V HA 0.410 4.530 4.120 -0.000 0.000 0.289 223 V C -0.191 175.808 176.094 -0.158 0.000 1.053 223 V CA -0.481 61.739 62.300 -0.133 0.000 0.996 223 V CB 1.455 33.096 31.823 -0.303 0.000 0.995 223 V HN 0.137 nan 8.190 nan 0.000 0.476 224 K N 2.284 122.555 120.400 -0.214 0.000 2.259 224 K HA 0.831 5.151 4.320 -0.000 0.000 0.249 224 K C -0.433 176.050 176.600 -0.196 0.000 0.942 224 K CA -0.254 55.894 56.287 -0.233 0.000 0.816 224 K CB 1.999 34.252 32.500 -0.412 0.000 1.155 224 K HN 0.756 nan 8.250 nan 0.000 0.428 225 S N -0.128 115.520 115.700 -0.086 0.000 2.661 225 S HA 0.587 5.057 4.470 -0.000 0.000 0.268 225 S C -1.467 173.199 174.600 0.110 0.000 1.162 225 S CA -0.673 57.493 58.200 -0.057 0.000 0.817 225 S CB 0.834 63.932 63.200 -0.169 0.000 1.141 225 S HN 0.696 nan 8.310 nan 0.000 0.477 226 T N -0.076 114.533 114.554 0.091 0.000 2.945 226 T HA 0.572 4.922 4.350 -0.000 0.000 0.286 226 T C 1.205 175.993 174.700 0.147 0.000 1.025 226 T CA -0.516 61.678 62.100 0.156 0.000 1.039 226 T CB 1.057 69.968 68.868 0.072 0.000 1.068 226 T HN 0.517 nan 8.240 nan 0.000 0.497 227 I N 0.775 121.445 120.570 0.166 0.000 2.454 227 I HA -0.063 4.107 4.170 -0.000 0.000 0.254 227 I C 2.401 178.645 176.117 0.212 0.000 1.156 227 I CA 1.543 62.956 61.300 0.188 0.000 1.433 227 I CB -0.258 37.879 38.000 0.229 0.000 1.082 227 I HN 0.838 nan 8.210 nan 0.000 0.432 228 E N 0.027 120.261 120.200 0.057 0.000 2.046 228 E HA -0.199 4.151 4.350 -0.000 0.000 0.190 228 E C 1.655 178.329 176.600 0.124 0.000 0.982 228 E CA 1.322 57.740 56.400 0.029 0.000 0.800 228 E CB -0.073 29.543 29.700 -0.139 0.000 0.756 228 E HN 0.490 nan 8.360 nan 0.000 0.449 229 D N 0.221 120.674 120.400 0.088 0.000 2.178 229 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 229 D C 1.889 178.291 176.300 0.170 0.000 0.974 229 D CA 0.833 54.883 54.000 0.084 0.000 0.841 229 D CB -0.039 40.746 40.800 -0.025 0.000 0.953 229 D HN 0.131 nan 8.370 nan 0.000 0.478 230 M N 0.449 120.165 119.600 0.195 0.000 2.213 230 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 230 M C 2.258 178.724 176.300 0.276 0.000 1.062 230 M CA 0.691 56.159 55.300 0.280 0.000 1.105 230 M CB -0.902 31.849 32.600 0.251 0.000 1.385 230 M HN -0.040 nan 8.290 nan 0.000 0.417 231 A N 0.023 122.989 122.820 0.243 0.000 1.902 231 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 231 A C 2.363 180.020 177.584 0.120 0.000 1.181 231 A CA 1.724 53.870 52.037 0.183 0.000 0.623 231 A CB -0.669 18.484 19.000 0.254 0.000 0.818 231 A HN 0.436 nan 8.150 nan 0.000 0.443 232 R N -1.326 119.269 120.500 0.158 0.000 2.092 232 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 232 R C 2.106 178.491 176.300 0.142 0.000 1.119 232 R CA 1.429 57.600 56.100 0.118 0.000 0.970 232 R CB -0.351 30.026 30.300 0.128 0.000 0.864 232 R HN 0.839 nan 8.270 nan 0.000 0.440 233 W N 0.370 121.687 121.300 0.028 0.000 2.338 233 W HA -0.221 4.439 4.660 0.000 0.000 0.304 233 W C 1.327 177.795 176.519 -0.085 0.000 1.212 233 W CA 1.297 58.661 57.345 0.032 0.000 1.264 233 W CB -0.044 29.496 29.460 0.134 0.000 1.142 233 W HN -0.035 nan 8.180 nan 0.000 0.512 234 V N 1.719 121.546 119.914 -0.145 0.000 2.295 234 V HA -0.351 3.769 4.120 -0.000 0.000 0.246 234 V C 2.423 178.179 176.094 -0.563 0.000 1.049 234 V CA 2.456 64.470 62.300 -0.477 0.000 1.024 234 V CB -1.116 30.536 31.823 -0.286 0.000 0.648 234 V HN 0.280 nan 8.190 nan 0.000 0.447 235 Q N 0.217 119.844 119.800 -0.289 0.000 2.135 235 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 235 Q C 2.342 178.173 176.000 -0.283 0.000 0.981 235 Q CA 1.922 57.573 55.803 -0.254 0.000 0.856 235 Q CB -0.434 28.224 28.738 -0.134 0.000 0.902 235 Q HN 0.611 nan 8.270 nan 0.000 0.425 236 S N 1.176 116.715 115.700 -0.268 0.000 2.387 236 S HA -0.053 4.417 4.470 -0.000 0.000 0.226 236 S C 1.579 175.953 174.600 -0.377 0.000 1.026 236 S CA 0.816 58.871 58.200 -0.241 0.000 0.972 236 S CB -0.155 62.974 63.200 -0.119 0.000 0.814 236 S HN 0.384 nan 8.310 nan 0.000 0.477 237 N N 1.206 119.519 118.700 -0.645 0.000 2.354 237 N HA 0.110 4.850 4.740 -0.000 0.000 0.179 237 N C 1.532 176.670 175.510 -0.619 0.000 1.021 237 N CA 0.628 53.245 53.050 -0.722 0.000 0.887 237 N CB -0.125 37.723 38.487 -1.064 0.000 0.974 237 N HN 0.327 nan 8.380 nan 0.000 0.437 238 L N 0.618 121.434 121.223 -0.679 0.000 2.179 238 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 238 L C 0.624 177.362 176.870 -0.221 0.000 1.096 238 L CA 1.029 55.637 54.840 -0.386 0.000 0.779 238 L CB 0.175 42.021 42.059 -0.354 0.000 0.922 238 L HN -0.069 nan 8.230 nan 0.000 0.443 239 K N -0.583 119.688 120.400 -0.215 0.000 3.084 239 K HA 0.221 4.541 4.320 -0.000 0.000 0.172 239 K C -2.010 174.519 176.600 -0.120 0.000 1.078 239 K CA -1.199 55.003 56.287 -0.141 0.000 0.875 239 K CB 1.107 33.534 32.500 -0.121 0.000 1.064 239 K HN -0.112 nan 8.250 nan 0.000 0.597 240 P HA -0.156 nan 4.420 nan 0.000 0.218 240 P C 1.097 178.363 177.300 -0.057 0.000 1.146 240 P CA 0.998 64.045 63.100 -0.089 0.000 0.813 240 P CB 0.187 31.841 31.700 -0.077 0.000 0.778 241 L N -0.728 120.462 121.223 -0.056 0.000 2.201 241 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 241 L C 1.706 178.554 176.870 -0.036 0.000 1.105 241 L CA 1.367 56.183 54.840 -0.041 0.000 0.775 241 L CB -0.988 41.046 42.059 -0.041 0.000 0.913 241 L HN -0.130 nan 8.230 nan 0.000 0.440 242 D N -0.047 120.327 120.400 -0.044 0.000 2.363 242 D HA 0.075 4.715 4.640 -0.000 0.000 0.220 242 D C 0.630 176.913 176.300 -0.029 0.000 0.994 242 D CA 0.548 54.525 54.000 -0.038 0.000 0.890 242 D CB -0.010 40.762 40.800 -0.046 0.000 0.906 242 D HN 0.212 nan 8.370 nan 0.000 0.530 243 I N 1.909 122.462 120.570 -0.027 0.000 2.517 243 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 243 I C 1.521 177.634 176.117 -0.008 0.000 1.106 243 I CA -0.109 61.184 61.300 -0.013 0.000 1.402 243 I CB 0.704 38.702 38.000 -0.005 0.000 1.399 243 I HN -0.079 nan 8.210 nan 0.000 0.535 244 N N 5.009 123.707 118.700 -0.004 0.000 2.309 244 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 244 N C 0.196 175.705 175.510 -0.002 0.000 1.018 244 N CA 0.684 53.732 53.050 -0.005 0.000 0.876 244 N CB 0.098 38.581 38.487 -0.006 0.000 0.972 244 N HN 0.609 nan 8.380 nan 0.000 0.434 245 E N 1.866 122.068 120.200 0.004 0.000 2.129 245 E HA 0.075 4.425 4.350 -0.000 0.000 0.283 245 E C 0.681 177.285 176.600 0.007 0.000 1.080 245 E CA -0.018 56.385 56.400 0.005 0.000 0.867 245 E CB 1.029 30.735 29.700 0.010 0.000 1.056 245 E HN 0.225 nan 8.360 nan 0.000 0.404 246 K N 1.001 121.403 120.400 0.003 0.000 2.034 246 K HA -0.213 4.107 4.320 -0.000 0.000 0.214 246 K C 2.034 178.639 176.600 0.009 0.000 1.051 246 K CA 2.294 58.583 56.287 0.003 0.000 0.931 246 K CB -0.286 32.214 32.500 0.001 0.000 0.715 246 K HN 0.506 nan 8.250 nan 0.000 0.446 247 T N 0.192 114.752 114.554 0.010 0.000 2.867 247 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 247 T C 1.933 176.650 174.700 0.028 0.000 1.057 247 T CA 0.626 62.735 62.100 0.016 0.000 1.136 247 T CB -0.239 68.635 68.868 0.009 0.000 0.874 247 T HN 0.087 nan 8.240 nan 0.000 0.466 248 L N 0.627 121.867 121.223 0.029 0.000 2.005 248 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 248 L C 3.127 180.025 176.870 0.046 0.000 1.072 248 L CA 2.000 56.870 54.840 0.050 0.000 0.744 248 L CB -0.671 41.420 42.059 0.053 0.000 0.895 248 L HN 0.432 nan 8.230 nan 0.000 0.433 249 Q N -0.287 119.528 119.800 0.026 0.000 2.096 249 Q HA -0.325 4.015 4.340 -0.000 0.000 0.208 249 Q C 2.068 178.077 176.000 0.016 0.000 0.993 249 Q CA 2.390 58.199 55.803 0.011 0.000 0.862 249 Q CB -0.081 28.657 28.738 0.001 0.000 0.915 249 Q HN 0.590 nan 8.270 nan 0.000 0.416 250 Q N -0.919 118.894 119.800 0.022 0.000 2.079 250 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 250 Q C 2.095 178.126 176.000 0.052 0.000 0.974 250 Q CA 1.100 56.921 55.803 0.029 0.000 0.840 250 Q CB -0.244 28.510 28.738 0.027 0.000 0.898 250 Q HN 0.584 nan 8.270 nan 0.000 0.430 251 G N 1.227 110.066 108.800 0.065 0.000 2.440 251 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 251 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 251 G C 1.418 176.391 174.900 0.121 0.000 1.154 251 G CA 0.623 45.782 45.100 0.098 0.000 0.767 251 G HN 0.229 nan 8.290 nan 0.000 0.552 252 I N 0.114 120.740 120.570 0.093 0.000 2.264 252 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 252 I C 3.000 179.163 176.117 0.078 0.000 1.111 252 I CA 1.306 62.656 61.300 0.083 0.000 1.382 252 I CB -0.251 37.750 38.000 0.001 0.000 1.060 252 I HN 0.259 nan 8.210 nan 0.000 0.418 253 Q N 0.398 120.227 119.800 0.049 0.000 2.079 253 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 253 Q C 2.369 178.408 176.000 0.065 0.000 0.974 253 Q CA 1.289 57.110 55.803 0.030 0.000 0.840 253 Q CB -0.033 28.709 28.738 0.007 0.000 0.898 253 Q HN 0.495 nan 8.270 nan 0.000 0.430 254 L N -0.160 121.127 121.223 0.106 0.000 2.141 254 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 254 L C 2.309 179.345 176.870 0.276 0.000 1.094 254 L CA 0.811 55.753 54.840 0.171 0.000 0.763 254 L CB -0.397 41.765 42.059 0.173 0.000 0.908 254 L HN 0.222 nan 8.230 nan 0.000 0.437 255 A N -0.790 122.187 122.820 0.262 0.000 2.014 255 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 255 A C 1.996 179.824 177.584 0.405 0.000 1.163 255 A CA 1.002 53.248 52.037 0.348 0.000 0.652 255 A CB -0.187 19.037 19.000 0.374 0.000 0.808 255 A HN 0.501 nan 8.150 nan 0.000 0.449 256 Q N 0.211 120.163 119.800 0.254 0.000 2.280 256 Q HA 0.187 4.527 4.340 -0.000 0.000 0.201 256 Q C -0.134 175.896 176.000 0.051 0.000 0.890 256 Q CA -0.267 55.617 55.803 0.134 0.000 0.947 256 Q CB 0.431 29.150 28.738 -0.031 0.000 1.081 256 Q HN 0.500 nan 8.270 nan 0.000 0.502 257 S N 0.946 116.670 115.700 0.040 0.000 2.614 257 S HA 0.289 4.759 4.470 -0.000 0.000 0.265 257 S C 0.114 174.520 174.600 -0.323 0.000 1.303 257 S CA -0.410 57.661 58.200 -0.215 0.000 1.000 257 S CB 0.718 63.701 63.200 -0.361 0.000 0.935 257 S HN 0.211 nan 8.310 nan 0.000 0.551 258 R N 1.106 121.351 120.500 -0.425 0.000 2.280 258 R HA 0.257 4.597 4.340 -0.000 0.000 0.326 258 R C -0.395 175.711 176.300 -0.324 0.000 1.080 258 R CA -0.104 55.849 56.100 -0.245 0.000 1.002 258 R CB 0.158 30.279 30.300 -0.299 0.000 1.136 258 R HN 0.667 nan 8.270 nan 0.000 0.509 259 Y N 0.387 120.689 120.300 0.004 0.000 2.397 259 Y HA 0.091 4.641 4.550 -0.000 0.000 0.292 259 Y C 0.132 175.759 175.900 -0.454 0.000 1.115 259 Y CA 0.406 58.356 58.100 -0.249 0.000 1.208 259 Y CB 0.414 38.726 38.460 -0.246 0.000 1.046 259 Y HN 0.417 nan 8.280 nan 0.000 0.552 260 W N -0.699 120.775 121.300 0.290 0.000 3.118 260 W HA 0.560 5.220 4.660 0.000 0.000 0.328 260 W C -0.983 175.678 176.519 0.236 0.000 1.239 260 W CA -1.107 56.373 57.345 0.226 0.000 1.176 260 W CB 0.979 30.547 29.460 0.179 0.000 1.433 260 W HN -0.481 nan 8.180 nan 0.000 0.562 261 Q N 1.068 121.121 119.800 0.421 0.000 2.337 261 Q HA 0.713 5.053 4.340 -0.000 0.000 0.270 261 Q C -1.204 174.843 176.000 0.079 0.000 1.043 261 Q CA -0.466 55.429 55.803 0.153 0.000 0.794 261 Q CB 2.104 30.892 28.738 0.083 0.000 1.281 261 Q HN 0.503 nan 8.270 nan 0.000 0.446 262 T N 2.048 116.582 114.554 -0.032 0.000 2.890 262 T HA 0.632 4.982 4.350 -0.000 0.000 0.295 262 T C 0.302 174.945 174.700 -0.095 0.000 0.993 262 T CA -0.040 62.037 62.100 -0.039 0.000 0.979 262 T CB 1.299 70.156 68.868 -0.019 0.000 0.967 262 T HN 1.007 nan 8.240 nan 0.000 0.441 263 G N 4.240 112.989 108.800 -0.084 0.000 2.561 263 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.289 263 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.289 263 G C 0.275 175.086 174.900 -0.148 0.000 1.169 263 G CA 0.504 45.548 45.100 -0.093 0.000 0.980 263 G HN 0.890 nan 8.290 nan 0.000 0.550 264 D N 0.544 120.856 120.400 -0.147 0.000 2.388 264 D HA 0.301 4.941 4.640 -0.000 0.000 0.221 264 D C 1.143 177.282 176.300 -0.267 0.000 1.133 264 D CA 0.682 54.573 54.000 -0.182 0.000 0.831 264 D CB -0.174 40.562 40.800 -0.108 0.000 0.962 264 D HN 0.915 nan 8.370 nan 0.000 0.502 265 M N -0.384 119.039 119.600 -0.294 0.000 2.598 265 M HA 0.605 5.085 4.480 -0.000 0.000 0.317 265 M C -1.846 174.195 176.300 -0.431 0.000 1.179 265 M CA -0.736 54.429 55.300 -0.225 0.000 0.936 265 M CB 2.252 34.860 32.600 0.014 0.000 1.713 265 M HN -0.234 nan 8.290 nan 0.000 0.460 266 Y N 0.621 121.026 120.300 0.175 0.000 2.446 266 Y HA 0.500 5.050 4.550 -0.000 0.000 0.345 266 Y C -0.699 175.360 175.900 0.264 0.000 0.984 266 Y CA -0.674 57.547 58.100 0.202 0.000 1.058 266 Y CB 1.875 40.423 38.460 0.146 0.000 1.220 266 Y HN 0.658 nan 8.280 nan 0.000 0.455 267 Q N 1.719 121.820 119.800 0.501 0.000 2.360 267 Q HA 0.549 4.889 4.340 -0.000 0.000 0.254 267 Q C 0.005 176.315 176.000 0.516 0.000 0.975 267 Q CA -0.241 55.852 55.803 0.484 0.000 0.912 267 Q CB 1.023 30.048 28.738 0.479 0.000 1.212 267 Q HN 0.900 nan 8.270 nan 0.000 0.452 268 G N 2.216 111.289 108.800 0.456 0.000 2.531 268 G HA2 0.404 4.364 3.960 -0.000 0.000 0.281 268 G HA3 0.404 4.364 3.960 -0.000 0.000 0.281 268 G C -1.076 174.021 174.900 0.329 0.000 1.382 268 G CA -0.625 44.764 45.100 0.481 0.000 1.045 268 G HN 0.507 nan 8.290 nan 0.000 0.533 269 L N 1.181 122.565 121.223 0.269 0.000 2.282 269 L HA 0.473 4.813 4.340 -0.000 0.000 0.287 269 L C 1.392 178.318 176.870 0.093 0.000 1.075 269 L CA 1.071 55.934 54.840 0.039 0.000 0.839 269 L CB -0.098 41.977 42.059 0.027 0.000 1.219 269 L HN 1.133 nan 8.230 nan 0.000 0.434 270 G N 2.542 111.368 108.800 0.043 0.000 4.526 270 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 270 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 270 G C 0.262 175.211 174.900 0.080 0.000 1.428 270 G CA 0.061 45.170 45.100 0.014 0.000 0.928 270 G HN 0.452 nan 8.290 nan 0.000 0.639 271 W N 2.057 123.486 121.300 0.215 0.000 2.126 271 W HA 0.596 5.256 4.660 -0.000 0.000 0.346 271 W C 0.791 177.460 176.519 0.250 0.000 1.279 271 W CA -0.158 57.313 57.345 0.211 0.000 1.259 271 W CB 0.402 29.955 29.460 0.155 0.000 1.133 271 W HN 0.339 nan 8.180 nan 0.000 0.592 272 E N 1.157 121.724 120.200 0.613 0.000 2.238 272 E HA 0.526 4.876 4.350 -0.000 0.000 0.267 272 E C -0.893 175.995 176.600 0.479 0.000 0.887 272 E CA -0.988 55.727 56.400 0.526 0.000 0.769 272 E CB 1.772 31.780 29.700 0.513 0.000 1.187 272 E HN 0.190 nan 8.360 nan 0.000 0.416 273 M N 2.018 121.854 119.600 0.393 0.000 2.619 273 M HA 0.538 5.018 4.480 -0.000 0.000 0.297 273 M C -1.441 175.082 176.300 0.373 0.000 1.229 273 M CA -0.532 54.944 55.300 0.294 0.000 0.860 273 M CB 1.688 34.398 32.600 0.184 0.000 1.741 273 M HN 0.259 nan 8.290 nan 0.000 0.462 274 L N 0.324 121.733 121.223 0.309 0.000 2.409 274 L HA 0.502 4.841 4.340 -0.000 0.000 0.262 274 L C -0.869 176.181 176.870 0.301 0.000 0.992 274 L CA -0.622 54.400 54.840 0.303 0.000 0.817 274 L CB 2.016 44.165 42.059 0.150 0.000 1.350 274 L HN 0.559 nan 8.230 nan 0.000 0.411 275 D N 1.348 121.922 120.400 0.291 0.000 2.425 275 D HA -0.028 4.612 4.640 -0.000 0.000 0.247 275 D C -0.921 175.525 176.300 0.244 0.000 1.147 275 D CA 0.217 54.352 54.000 0.225 0.000 0.879 275 D CB 1.143 42.050 40.800 0.179 0.000 1.179 275 D HN 0.360 nan 8.370 nan 0.000 0.456 276 W N 5.045 126.399 121.300 0.091 0.000 2.417 276 W HA 0.297 4.957 4.660 -0.000 0.000 0.317 276 W C -2.400 174.168 176.519 0.081 0.000 1.121 276 W CA -1.810 55.604 57.345 0.116 0.000 1.208 276 W CB 1.072 30.621 29.460 0.149 0.000 1.253 276 W HN 0.223 nan 8.180 nan 0.000 0.533 277 P HA 0.190 nan 4.420 nan 0.000 0.278 277 P C -0.795 176.146 177.300 -0.598 0.000 1.238 277 P CA -0.267 61.974 63.100 -1.432 0.000 0.794 277 P CB 2.170 33.244 31.700 -1.044 0.000 0.955 278 V N 2.026 121.632 119.914 -0.514 0.000 2.966 278 V HA 0.366 4.486 4.120 -0.000 0.000 0.317 278 V C 0.010 175.832 176.094 -0.452 0.000 1.070 278 V CA -1.072 61.035 62.300 -0.322 0.000 1.008 278 V CB 1.614 33.281 31.823 -0.259 0.000 1.070 278 V HN 0.751 nan 8.190 nan 0.000 0.457 279 N N 5.222 123.683 118.700 -0.397 0.000 2.469 279 N HA 0.292 5.032 4.740 -0.000 0.000 0.239 279 N C -1.971 173.207 175.510 -0.553 0.000 1.053 279 N CA -1.492 51.302 53.050 -0.426 0.000 0.937 279 N CB 1.792 40.113 38.487 -0.277 0.000 1.163 279 N HN 0.419 nan 8.380 nan 0.000 0.509 280 P HA -0.161 nan 4.420 nan 0.000 0.217 280 P C 0.763 177.722 177.300 -0.568 0.000 1.151 280 P CA 1.140 63.632 63.100 -1.014 0.000 0.849 280 P CB 0.384 31.172 31.700 -1.519 0.000 0.787 281 D N -0.888 119.257 120.400 -0.424 0.000 2.092 281 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 281 D C 2.191 178.355 176.300 -0.227 0.000 0.994 281 D CA 1.319 55.157 54.000 -0.270 0.000 0.828 281 D CB -0.730 39.948 40.800 -0.202 0.000 0.963 281 D HN 0.071 nan 8.370 nan 0.000 0.450 282 S N 0.201 115.760 115.700 -0.234 0.000 2.374 282 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 282 S C 2.134 176.640 174.600 -0.157 0.000 1.037 282 S CA 1.289 59.382 58.200 -0.179 0.000 1.024 282 S CB -0.261 62.828 63.200 -0.185 0.000 0.861 282 S HN 0.381 nan 8.310 nan 0.000 0.456 283 I N -0.925 119.509 120.570 -0.227 0.000 2.406 283 I HA -0.045 4.125 4.170 -0.000 0.000 0.249 283 I C 2.003 178.075 176.117 -0.075 0.000 1.122 283 I CA 1.232 62.452 61.300 -0.133 0.000 1.431 283 I CB -0.879 36.974 38.000 -0.246 0.000 1.087 283 I HN 0.254 nan 8.210 nan 0.000 0.424 284 I N 2.306 122.785 120.570 -0.151 0.000 2.127 284 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 284 I C 2.432 178.502 176.117 -0.077 0.000 1.075 284 I CA 1.753 62.990 61.300 -0.105 0.000 1.334 284 I CB -0.906 37.016 38.000 -0.129 0.000 1.040 284 I HN 0.324 nan 8.210 nan 0.000 0.405 285 N N 1.388 120.034 118.700 -0.090 0.000 2.106 285 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 285 N C 1.956 177.434 175.510 -0.055 0.000 1.029 285 N CA 1.642 54.649 53.050 -0.071 0.000 0.848 285 N CB -0.928 37.512 38.487 -0.078 0.000 1.007 285 N HN 0.419 nan 8.380 nan 0.000 0.423 286 G N 0.543 109.313 108.800 -0.050 0.000 2.462 286 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 286 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 286 G C 1.569 176.458 174.900 -0.019 0.000 1.121 286 G CA 1.363 46.447 45.100 -0.027 0.000 0.758 286 G HN 0.514 nan 8.290 nan 0.000 0.559 287 S N -0.253 115.438 115.700 -0.015 0.000 2.515 287 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 287 S C 0.826 175.386 174.600 -0.065 0.000 0.987 287 S CA 0.326 58.507 58.200 -0.032 0.000 0.936 287 S CB -0.081 63.102 63.200 -0.028 0.000 0.766 287 S HN 0.332 nan 8.310 nan 0.000 0.528 288 D N 1.599 121.965 120.400 -0.057 0.000 2.389 288 D HA 0.134 4.774 4.640 -0.000 0.000 0.247 288 D C 0.763 177.025 176.300 -0.062 0.000 1.128 288 D CA 0.056 54.022 54.000 -0.057 0.000 0.884 288 D CB 0.481 41.255 40.800 -0.044 0.000 1.194 288 D HN 0.316 nan 8.370 nan 0.000 0.441 289 N N 2.500 121.164 118.700 -0.060 0.000 2.037 289 N HA -0.237 4.503 4.740 -0.000 0.000 0.196 289 N C 1.664 177.148 175.510 -0.044 0.000 1.034 289 N CA 1.478 54.492 53.050 -0.060 0.000 0.861 289 N CB 0.100 38.559 38.487 -0.047 0.000 1.039 289 N HN 0.530 nan 8.380 nan 0.000 0.427 290 K N 0.766 121.149 120.400 -0.028 0.000 2.034 290 K HA -0.196 4.124 4.320 -0.000 0.000 0.214 290 K C 1.940 178.526 176.600 -0.024 0.000 1.051 290 K CA 1.387 57.664 56.287 -0.017 0.000 0.931 290 K CB -0.537 31.954 32.500 -0.014 0.000 0.715 290 K HN 0.286 nan 8.250 nan 0.000 0.446 291 I N 1.563 122.112 120.570 -0.035 0.000 2.162 291 I HA -0.195 3.975 4.170 -0.000 0.000 0.238 291 I C 2.768 178.854 176.117 -0.052 0.000 1.076 291 I CA 1.072 62.349 61.300 -0.039 0.000 1.353 291 I CB -0.429 37.546 38.000 -0.040 0.000 1.063 291 I HN 0.214 nan 8.210 nan 0.000 0.408 292 A N 0.662 123.437 122.820 -0.077 0.000 1.986 292 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 292 A C 2.129 179.626 177.584 -0.144 0.000 1.171 292 A CA 1.574 53.534 52.037 -0.128 0.000 0.640 292 A CB -0.852 18.036 19.000 -0.187 0.000 0.811 292 A HN 0.477 nan 8.150 nan 0.000 0.451 293 L N -1.174 119.996 121.223 -0.090 0.000 2.592 293 L HA 0.263 4.603 4.340 -0.000 0.000 0.227 293 L C 1.268 178.149 176.870 0.018 0.000 1.127 293 L CA -0.053 54.769 54.840 -0.030 0.000 0.884 293 L CB -0.420 41.641 42.059 0.003 0.000 1.065 293 L HN 0.368 nan 8.230 nan 0.000 0.457 294 A N 0.669 123.489 122.820 0.000 0.000 2.287 294 A HA 0.685 5.005 4.320 -0.000 0.000 0.273 294 A C 0.414 177.998 177.584 0.001 0.000 1.091 294 A CA -0.147 51.901 52.037 0.017 0.000 0.817 294 A CB 0.419 19.419 19.000 0.002 0.000 1.069 294 A HN 0.181 nan 8.150 nan 0.000 0.492 295 A N 1.131 123.952 122.820 0.002 0.000 2.440 295 A HA 0.610 4.930 4.320 -0.000 0.000 0.251 295 A C 0.139 177.619 177.584 -0.172 0.000 1.089 295 A CA -0.184 51.783 52.037 -0.116 0.000 0.779 295 A CB 0.083 18.960 19.000 -0.205 0.000 1.022 295 A HN 0.697 nan 8.150 nan 0.000 0.492 296 R N 1.638 122.007 120.500 -0.219 0.000 2.651 296 R HA 0.499 4.839 4.340 -0.000 0.000 0.278 296 R C -3.271 172.891 176.300 -0.229 0.000 1.010 296 R CA -2.564 53.426 56.100 -0.184 0.000 0.896 296 R CB 1.217 31.455 30.300 -0.103 0.000 1.211 296 R HN 0.436 nan 8.270 nan 0.000 0.456 297 P HA 0.104 nan 4.420 nan 0.000 0.268 297 P C -0.253 176.985 177.300 -0.104 0.000 1.205 297 P CA -0.259 62.735 63.100 -0.176 0.000 0.771 297 P CB 0.633 32.262 31.700 -0.118 0.000 0.858 298 V N -0.136 119.729 119.914 -0.081 0.000 2.914 298 V HA 0.680 4.800 4.120 -0.000 0.000 0.314 298 V C -0.444 175.756 176.094 0.177 0.000 1.084 298 V CA -1.204 61.114 62.300 0.030 0.000 0.963 298 V CB 2.175 33.951 31.823 -0.079 0.000 1.025 298 V HN 0.522 nan 8.190 nan 0.000 0.432 299 K N 3.063 123.624 120.400 0.269 0.000 2.244 299 K HA 0.841 5.161 4.320 -0.000 0.000 0.260 299 K C -0.049 176.798 176.600 0.412 0.000 0.951 299 K CA -0.258 56.199 56.287 0.284 0.000 0.826 299 K CB 1.895 34.493 32.500 0.162 0.000 1.108 299 K HN 1.309 nan 8.250 nan 0.000 0.433 300 A N 4.853 127.889 122.820 0.360 0.000 2.462 300 A HA 0.278 4.598 4.320 -0.000 0.000 0.243 300 A C -0.081 177.479 177.584 -0.041 0.000 1.076 300 A CA -0.258 51.794 52.037 0.025 0.000 0.773 300 A CB -0.119 18.835 19.000 -0.077 0.000 1.010 300 A HN 0.786 nan 8.150 nan 0.000 0.493 301 I N 2.451 122.915 120.570 -0.177 0.000 2.359 301 I HA 0.256 4.426 4.170 -0.000 0.000 0.284 301 I C 0.423 176.453 176.117 -0.145 0.000 1.018 301 I CA -0.120 61.122 61.300 -0.097 0.000 1.173 301 I CB 1.502 39.462 38.000 -0.067 0.000 1.326 301 I HN 0.695 nan 8.210 nan 0.000 0.462 302 T N 5.455 119.956 114.554 -0.089 0.000 2.821 302 T HA 0.607 4.957 4.350 -0.000 0.000 0.307 302 T C -1.673 172.991 174.700 -0.059 0.000 1.034 302 T CA -1.146 60.905 62.100 -0.081 0.000 0.953 302 T CB 1.067 69.900 68.868 -0.058 0.000 0.968 302 T HN 0.409 nan 8.240 nan 0.000 0.462 303 P HA 0.577 nan 4.420 nan 0.000 0.281 303 P C -2.940 174.278 177.300 -0.136 0.000 1.281 303 P CA -1.977 61.067 63.100 -0.092 0.000 0.811 303 P CB -0.218 31.441 31.700 -0.069 0.000 1.154 304 P HA 0.063 nan 4.420 nan 0.000 0.267 304 P C -0.329 176.818 177.300 -0.255 0.000 1.200 304 P CA 0.380 63.302 63.100 -0.297 0.000 0.772 304 P CB -0.077 31.312 31.700 -0.518 0.000 0.855 305 T N 4.561 118.946 114.554 -0.282 0.000 2.749 305 T HA 0.318 4.668 4.350 -0.000 0.000 0.295 305 T C -2.176 172.373 174.700 -0.252 0.000 0.936 305 T CA -1.165 60.792 62.100 -0.237 0.000 1.060 305 T CB 0.080 68.801 68.868 -0.244 0.000 0.904 305 T HN 0.269 nan 8.240 nan 0.000 0.500 306 P HA 0.246 nan 4.420 nan 0.000 0.272 306 P C -0.517 176.698 177.300 -0.142 0.000 1.230 306 P CA -0.605 62.405 63.100 -0.151 0.000 0.788 306 P CB 0.313 31.951 31.700 -0.103 0.000 0.949 307 A N 2.506 125.257 122.820 -0.115 0.000 2.540 307 A HA 0.026 4.346 4.320 -0.000 0.000 0.268 307 A C 0.302 177.825 177.584 -0.101 0.000 1.061 307 A CA 0.293 52.268 52.037 -0.103 0.000 0.821 307 A CB -1.090 17.866 19.000 -0.073 0.000 0.970 307 A HN 0.373 nan 8.150 nan 0.000 0.524 308 V N 5.805 125.650 119.914 -0.116 0.000 2.455 308 V HA 0.083 4.203 4.120 -0.000 0.000 0.273 308 V C 1.715 177.765 176.094 -0.073 0.000 1.045 308 V CA -0.073 62.170 62.300 -0.095 0.000 0.976 308 V CB 0.848 32.600 31.823 -0.117 0.000 0.993 308 V HN 1.065 nan 8.190 nan 0.000 0.475 309 R N 3.479 123.947 120.500 -0.054 0.000 2.096 309 R HA -0.038 4.302 4.340 -0.000 0.000 0.235 309 R C 1.183 177.464 176.300 -0.032 0.000 1.127 309 R CA 1.293 57.363 56.100 -0.050 0.000 0.968 309 R CB -0.000 30.276 30.300 -0.040 0.000 0.861 309 R HN 0.777 nan 8.270 nan 0.000 0.440 310 A N 1.248 124.079 122.820 0.018 0.000 3.004 310 A HA 0.319 4.639 4.320 -0.000 0.000 0.286 310 A C -0.700 176.976 177.584 0.153 0.000 1.632 310 A CA 0.047 52.149 52.037 0.109 0.000 1.339 310 A CB 0.251 19.349 19.000 0.164 0.000 1.136 310 A HN 0.079 nan 8.150 nan 0.000 0.577 311 S N 0.751 116.500 115.700 0.081 0.000 2.588 311 S HA 0.540 5.010 4.470 -0.000 0.000 0.275 311 S C -1.180 173.462 174.600 0.071 0.000 1.130 311 S CA -0.593 57.678 58.200 0.118 0.000 0.855 311 S CB 1.179 64.358 63.200 -0.035 0.000 1.116 311 S HN 0.720 nan 8.310 nan 0.000 0.472 312 W N 3.655 124.945 121.300 -0.015 0.000 2.295 312 W HA 0.552 5.212 4.660 -0.000 0.000 0.333 312 W C -1.734 174.601 176.519 -0.308 0.000 0.990 312 W CA -0.543 56.731 57.345 -0.119 0.000 1.453 312 W CB 0.332 29.853 29.460 0.101 0.000 1.263 312 W HN 0.362 nan 8.180 nan 0.000 0.380 313 V N 7.435 126.861 119.914 -0.813 0.000 2.481 313 V HA 0.447 4.567 4.120 -0.000 0.000 0.286 313 V C 0.173 175.830 176.094 -0.728 0.000 1.042 313 V CA -0.116 61.669 62.300 -0.858 0.000 0.928 313 V CB 1.067 31.903 31.823 -1.644 0.000 0.986 313 V HN 0.674 nan 8.190 nan 0.000 0.462 314 H N 2.336 121.277 119.070 -0.215 0.000 2.863 314 H HA 0.866 5.422 4.556 -0.000 0.000 0.274 314 H C -1.339 174.242 175.328 0.422 0.000 1.457 314 H CA -1.301 54.764 56.048 0.028 0.000 1.151 314 H CB 1.926 31.686 29.762 -0.004 0.000 1.844 314 H HN 0.453 nan 8.280 nan 0.000 0.562 315 K N 0.998 121.520 120.400 0.203 0.000 2.592 315 K HA 0.262 4.582 4.320 -0.000 0.000 0.259 315 K C -1.508 175.177 176.600 0.141 0.000 0.937 315 K CA 0.133 56.484 56.287 0.105 0.000 0.874 315 K CB 2.016 34.624 32.500 0.180 0.000 1.339 315 K HN 0.950 nan 8.250 nan 0.000 0.425 316 T N -0.120 114.544 114.554 0.183 0.000 2.944 316 T HA 0.928 5.278 4.350 -0.000 0.000 0.284 316 T C 0.286 175.092 174.700 0.177 0.000 1.010 316 T CA -0.425 61.847 62.100 0.287 0.000 1.025 316 T CB 1.758 70.712 68.868 0.142 0.000 1.079 316 T HN 0.698 nan 8.240 nan 0.000 0.516 317 G N -0.944 107.960 108.800 0.174 0.000 2.646 317 G HA2 0.758 4.718 3.960 -0.000 0.000 0.291 317 G HA3 0.758 4.718 3.960 -0.000 0.000 0.291 317 G C -1.733 173.255 174.900 0.147 0.000 1.445 317 G CA -0.528 44.670 45.100 0.163 0.000 0.814 317 G HN 1.198 nan 8.290 nan 0.000 0.495 318 A N -0.263 122.643 122.820 0.144 0.000 2.604 318 A HA 0.962 5.281 4.320 -0.000 0.000 0.295 318 A C -0.075 177.597 177.584 0.147 0.000 1.067 318 A CA 0.213 52.342 52.037 0.154 0.000 0.683 318 A CB 1.460 20.517 19.000 0.094 0.000 1.281 318 A HN 2.004 nan 8.150 nan 0.000 0.407 319 T N -1.855 112.824 114.554 0.209 0.000 2.905 319 T HA 0.624 4.974 4.350 -0.000 0.000 0.283 319 T C 1.276 176.093 174.700 0.195 0.000 1.031 319 T CA 0.158 62.363 62.100 0.175 0.000 1.002 319 T CB 1.189 70.208 68.868 0.253 0.000 1.200 319 T HN 1.602 nan 8.240 nan 0.000 0.560 320 G N -0.770 108.126 108.800 0.159 0.000 2.470 320 G HA2 0.193 4.153 3.960 -0.000 0.000 0.220 320 G HA3 0.193 4.153 3.960 -0.000 0.000 0.220 320 G C 1.127 176.123 174.900 0.159 0.000 1.121 320 G CA 0.457 45.639 45.100 0.136 0.000 0.766 320 G HN 1.097 nan 8.290 nan 0.000 0.553 321 G N -1.227 107.718 108.800 0.241 0.000 3.192 321 G HA2 0.459 4.419 3.960 -0.000 0.000 0.239 321 G HA3 0.459 4.419 3.960 -0.000 0.000 0.239 321 G C -0.285 174.563 174.900 -0.086 0.000 1.084 321 G CA -0.379 44.759 45.100 0.064 0.000 0.784 321 G HN 0.184 nan 8.290 nan 0.000 0.540 322 F N -0.581 119.507 119.950 0.229 0.000 2.599 322 F HA 0.716 5.243 4.527 -0.000 0.000 0.311 322 F C 0.273 176.211 175.800 0.230 0.000 1.076 322 F CA -1.280 56.893 58.000 0.288 0.000 0.937 322 F CB 2.268 41.469 39.000 0.335 0.000 1.282 322 F HN 0.019 nan 8.300 nan 0.000 0.460 323 G N 0.544 109.616 108.800 0.453 0.000 2.732 323 G HA2 0.580 4.540 3.960 -0.000 0.000 0.295 323 G HA3 0.580 4.540 3.960 -0.000 0.000 0.295 323 G C -1.545 173.511 174.900 0.259 0.000 1.456 323 G CA -0.758 44.484 45.100 0.238 0.000 1.050 323 G HN 0.764 nan 8.290 nan 0.000 0.525 324 S N 0.666 116.493 115.700 0.211 0.000 2.634 324 S HA 0.865 5.335 4.470 -0.000 0.000 0.296 324 S C -1.448 173.345 174.600 0.321 0.000 1.104 324 S CA -1.014 57.334 58.200 0.245 0.000 0.920 324 S CB 2.447 65.786 63.200 0.231 0.000 1.111 324 S HN 1.091 nan 8.310 nan 0.000 0.493 325 Y N -0.158 120.232 120.300 0.150 0.000 2.480 325 Y HA 0.617 5.166 4.550 -0.000 0.000 0.329 325 Y C -1.987 174.044 175.900 0.217 0.000 1.127 325 Y CA -0.813 57.389 58.100 0.170 0.000 1.037 325 Y CB 1.584 40.139 38.460 0.158 0.000 1.320 325 Y HN 0.785 nan 8.280 nan 0.000 0.446 326 V N 4.102 123.698 119.914 -0.530 0.000 2.808 326 V HA 0.989 5.109 4.120 -0.000 0.000 0.308 326 V C -0.919 174.876 176.094 -0.498 0.000 1.099 326 V CA -0.291 61.848 62.300 -0.268 0.000 0.920 326 V CB 1.518 33.462 31.823 0.201 0.000 1.014 326 V HN 1.046 nan 8.190 nan 0.000 0.425 327 A N 4.169 126.777 122.820 -0.353 0.000 2.574 327 A HA 1.056 5.375 4.320 -0.000 0.000 0.297 327 A C -1.367 175.971 177.584 -0.411 0.000 1.062 327 A CA -0.540 51.175 52.037 -0.538 0.000 0.686 327 A CB 1.988 20.560 19.000 -0.714 0.000 1.285 327 A HN 1.717 nan 8.150 nan 0.000 0.403 328 F N -0.751 118.744 119.950 -0.760 0.000 2.773 328 F HA 0.816 5.343 4.527 -0.000 0.000 0.314 328 F C -1.588 173.847 175.800 -0.609 0.000 1.160 328 F CA -1.258 56.378 58.000 -0.606 0.000 0.920 328 F CB 1.229 39.948 39.000 -0.469 0.000 1.323 328 F HN 0.402 nan 8.300 nan 0.000 0.457 329 I N 0.998 121.381 120.570 -0.313 0.000 2.517 329 I HA 0.286 4.456 4.170 -0.000 0.000 0.280 329 I C -2.420 173.578 176.117 -0.199 0.000 1.061 329 I CA -1.820 59.255 61.300 -0.374 0.000 1.091 329 I CB 1.707 39.354 38.000 -0.588 0.000 1.205 329 I HN 0.305 nan 8.210 nan 0.000 0.459 330 P HA -0.232 nan 4.420 nan 0.000 0.214 330 P C 1.523 178.758 177.300 -0.108 0.000 1.163 330 P CA 1.505 64.560 63.100 -0.075 0.000 0.889 330 P CB 0.274 31.939 31.700 -0.059 0.000 0.790 331 E N 0.414 120.546 120.200 -0.114 0.000 2.187 331 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 331 E C 1.221 177.759 176.600 -0.104 0.000 1.004 331 E CA 1.511 57.858 56.400 -0.088 0.000 0.813 331 E CB -0.501 29.175 29.700 -0.041 0.000 0.736 331 E HN 0.129 nan 8.360 nan 0.000 0.468 332 K N 0.104 120.407 120.400 -0.160 0.000 2.387 332 K HA 0.076 4.395 4.320 -0.000 0.000 0.203 332 K C -0.332 176.171 176.600 -0.161 0.000 1.030 332 K CA 0.363 56.556 56.287 -0.156 0.000 1.099 332 K CB 0.682 33.055 32.500 -0.212 0.000 0.863 332 K HN 0.196 nan 8.250 nan 0.000 0.529 333 E N 0.784 120.894 120.200 -0.150 0.000 2.539 333 E HA -0.238 4.112 4.350 -0.000 0.000 0.253 333 E C -0.540 175.975 176.600 -0.142 0.000 1.145 333 E CA 0.461 56.772 56.400 -0.148 0.000 0.738 333 E CB -1.454 28.150 29.700 -0.160 0.000 1.308 333 E HN 0.103 nan 8.360 nan 0.000 0.409 334 L N -0.261 120.881 121.223 -0.134 0.000 2.362 334 L HA 0.790 5.130 4.340 -0.000 0.000 0.271 334 L C 0.268 177.079 176.870 -0.098 0.000 1.002 334 L CA 0.348 55.132 54.840 -0.094 0.000 0.818 334 L CB 2.103 44.091 42.059 -0.119 0.000 1.298 334 L HN 0.097 nan 8.230 nan 0.000 0.420 335 G N 3.641 112.409 108.800 -0.054 0.000 2.547 335 G HA2 0.539 4.499 3.960 -0.000 0.000 0.291 335 G HA3 0.539 4.499 3.960 -0.000 0.000 0.291 335 G C -2.293 172.603 174.900 -0.006 0.000 1.471 335 G CA -0.417 44.651 45.100 -0.053 0.000 0.798 335 G HN 0.731 nan 8.290 nan 0.000 0.504 336 I N -0.317 120.253 120.570 -0.000 0.000 2.913 336 I HA 0.732 4.902 4.170 -0.000 0.000 0.302 336 I C -1.248 174.914 176.117 0.075 0.000 1.246 336 I CA -1.065 60.271 61.300 0.060 0.000 1.010 336 I CB 2.436 40.492 38.000 0.092 0.000 1.259 336 I HN 0.432 nan 8.210 nan 0.000 0.434 337 V N 6.689 126.681 119.914 0.130 0.000 2.686 337 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 337 V C -0.665 175.544 176.094 0.191 0.000 1.065 337 V CA -0.488 61.904 62.300 0.153 0.000 0.894 337 V CB 1.929 33.853 31.823 0.169 0.000 1.004 337 V HN 0.617 nan 8.190 nan 0.000 0.424 338 M N 6.087 125.817 119.600 0.216 0.000 2.151 338 M HA 0.633 5.113 4.480 -0.000 0.000 0.290 338 M C -1.478 174.921 176.300 0.164 0.000 0.965 338 M CA -0.252 55.181 55.300 0.221 0.000 0.930 338 M CB 2.077 34.863 32.600 0.310 0.000 1.560 338 M HN 0.377 nan 8.290 nan 0.000 0.438 339 L N 2.840 124.071 121.223 0.014 0.000 2.381 339 L HA 1.006 5.346 4.340 -0.000 0.000 0.274 339 L C -0.530 176.225 176.870 -0.191 0.000 0.988 339 L CA -0.691 54.008 54.840 -0.235 0.000 0.824 339 L CB 1.962 43.484 42.059 -0.895 0.000 1.263 339 L HN 0.837 nan 8.230 nan 0.000 0.410 340 A N 1.794 124.738 122.820 0.207 0.000 2.549 340 A HA 0.551 4.871 4.320 -0.000 0.000 0.297 340 A C -0.518 177.474 177.584 0.680 0.000 1.061 340 A CA -0.753 51.573 52.037 0.481 0.000 0.690 340 A CB 1.394 20.648 19.000 0.424 0.000 1.287 340 A HN 0.754 nan 8.150 nan 0.000 0.402 341 N N 1.331 120.359 118.700 0.547 0.000 2.597 341 N HA 0.130 4.870 4.740 -0.000 0.000 0.269 341 N C -0.412 175.116 175.510 0.030 0.000 1.204 341 N CA 0.064 53.116 53.050 0.002 0.000 0.947 341 N CB 0.257 38.655 38.487 -0.148 0.000 1.258 341 N HN 0.531 nan 8.380 nan 0.000 0.508 342 K N 0.475 120.994 120.400 0.198 0.000 2.550 342 K HA 0.171 4.491 4.320 -0.000 0.000 0.252 342 K C -1.626 175.193 176.600 0.366 0.000 0.943 342 K CA -0.659 55.767 56.287 0.232 0.000 0.806 342 K CB 1.421 34.048 32.500 0.211 0.000 1.289 342 K HN 0.060 nan 8.250 nan 0.000 0.435 343 N N 3.905 122.762 118.700 0.262 0.000 2.402 343 N HA 0.100 4.840 4.740 -0.000 0.000 0.252 343 N C -1.414 174.231 175.510 0.225 0.000 1.118 343 N CA 0.139 53.319 53.050 0.216 0.000 0.945 343 N CB 0.008 38.586 38.487 0.152 0.000 1.147 343 N HN 0.416 nan 8.380 nan 0.000 0.495 344 Y N 1.518 121.867 120.300 0.082 0.000 2.570 344 Y HA 0.732 5.282 4.550 -0.000 0.000 0.345 344 Y C -2.694 173.228 175.900 0.036 0.000 1.014 344 Y CA -3.332 54.798 58.100 0.051 0.000 1.063 344 Y CB -0.289 38.196 38.460 0.042 0.000 1.272 344 Y HN 0.318 nan 8.280 nan 0.000 0.477 345 P HA -0.081 nan 4.420 nan 0.000 0.259 345 P C 0.304 177.510 177.300 -0.157 0.000 1.155 345 P CA 0.606 63.683 63.100 -0.040 0.000 0.759 345 P CB 0.697 32.422 31.700 0.043 0.000 0.753 346 N N 5.135 123.739 118.700 -0.159 0.000 2.021 346 N HA -0.159 4.580 4.740 -0.000 0.000 0.198 346 N C -0.832 174.580 175.510 -0.164 0.000 1.041 346 N CA 1.976 54.914 53.050 -0.187 0.000 0.862 346 N CB -1.832 36.574 38.487 -0.135 0.000 1.048 346 N HN 0.442 nan 8.380 nan 0.000 0.427 347 P HA -0.043 nan 4.420 nan 0.000 0.219 347 P C 0.935 178.213 177.300 -0.036 0.000 1.146 347 P CA 1.306 64.365 63.100 -0.068 0.000 0.808 347 P CB -0.097 31.575 31.700 -0.047 0.000 0.779 348 A N -0.020 122.803 122.820 0.004 0.000 1.898 348 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 348 A C 2.295 179.934 177.584 0.092 0.000 1.181 348 A CA 1.281 53.369 52.037 0.085 0.000 0.620 348 A CB -0.994 18.124 19.000 0.197 0.000 0.819 348 A HN 0.047 nan 8.150 nan 0.000 0.442 349 R N -0.463 120.043 120.500 0.009 0.000 2.080 349 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 349 R C 2.014 178.213 176.300 -0.169 0.000 1.137 349 R CA 1.810 57.867 56.100 -0.072 0.000 0.943 349 R CB -0.743 29.357 30.300 -0.334 0.000 0.846 349 R HN 0.394 nan 8.270 nan 0.000 0.431 350 V N 1.281 121.010 119.914 -0.308 0.000 2.407 350 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 350 V C 1.980 178.165 176.094 0.152 0.000 1.055 350 V CA 1.905 64.126 62.300 -0.130 0.000 1.049 350 V CB -0.587 31.181 31.823 -0.092 0.000 0.662 350 V HN 0.327 nan 8.190 nan 0.000 0.455 351 D N 0.695 121.152 120.400 0.096 0.000 2.088 351 D HA -0.170 4.470 4.640 -0.000 0.000 0.191 351 D C 2.249 178.688 176.300 0.231 0.000 0.992 351 D CA 1.972 56.067 54.000 0.158 0.000 0.831 351 D CB -0.248 40.604 40.800 0.086 0.000 0.973 351 D HN 0.329 nan 8.370 nan 0.000 0.447 352 A N 1.014 123.927 122.820 0.156 0.000 1.884 352 A HA -0.200 4.119 4.320 -0.000 0.000 0.219 352 A C 2.444 180.146 177.584 0.198 0.000 1.197 352 A CA 3.397 55.514 52.037 0.134 0.000 0.637 352 A CB -1.204 17.855 19.000 0.098 0.000 0.827 352 A HN 0.369 nan 8.150 nan 0.000 0.450 353 A N -1.442 121.554 122.820 0.293 0.000 1.902 353 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 353 A C 2.115 179.987 177.584 0.480 0.000 1.181 353 A CA 1.558 53.848 52.037 0.421 0.000 0.623 353 A CB -0.887 18.536 19.000 0.705 0.000 0.818 353 A HN 0.969 nan 8.150 nan 0.000 0.443 354 W N 0.461 121.968 121.300 0.344 0.000 2.418 354 W HA -0.138 4.522 4.660 -0.000 0.000 0.292 354 W C 1.663 178.309 176.519 0.212 0.000 1.213 354 W CA 1.720 59.251 57.345 0.310 0.000 1.283 354 W CB -0.327 29.190 29.460 0.095 0.000 1.119 354 W HN 0.344 nan 8.180 nan 0.000 0.542 355 Q N 1.206 121.032 119.800 0.044 0.000 2.002 355 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 355 Q C 2.380 178.284 176.000 -0.161 0.000 0.988 355 Q CA 2.309 58.059 55.803 -0.090 0.000 0.843 355 Q CB -1.217 27.558 28.738 0.062 0.000 0.908 355 Q HN 0.447 nan 8.270 nan 0.000 0.420 356 I N 0.235 120.780 120.570 -0.042 0.000 2.087 356 I HA -0.326 3.844 4.170 -0.000 0.000 0.240 356 I C 2.116 178.185 176.117 -0.080 0.000 1.054 356 I CA 1.258 62.529 61.300 -0.048 0.000 1.311 356 I CB -0.480 37.515 38.000 -0.009 0.000 1.024 356 I HN 0.179 nan 8.210 nan 0.000 0.402 357 L N 0.734 121.926 121.223 -0.052 0.000 2.240 357 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 357 L C 2.132 178.902 176.870 -0.165 0.000 1.106 357 L CA 1.477 56.286 54.840 -0.051 0.000 0.793 357 L CB -1.315 40.782 42.059 0.063 0.000 0.927 357 L HN 0.288 nan 8.230 nan 0.000 0.446 358 N N 0.252 118.683 118.700 -0.449 0.000 2.289 358 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 358 N C 1.639 177.000 175.510 -0.247 0.000 1.016 358 N CA 1.201 53.884 53.050 -0.610 0.000 0.872 358 N CB 0.048 37.706 38.487 -1.383 0.000 0.973 358 N HN 0.275 nan 8.380 nan 0.000 0.433 359 A N -0.483 122.222 122.820 -0.191 0.000 2.235 359 A HA 0.237 4.557 4.320 -0.000 0.000 0.208 359 A C 0.431 177.979 177.584 -0.061 0.000 1.172 359 A CA 0.345 52.320 52.037 -0.104 0.000 0.786 359 A CB -0.210 18.731 19.000 -0.098 0.000 0.804 359 A HN 0.301 nan 8.150 nan 0.000 0.479 360 L N 0.000 121.205 121.223 -0.030 0.000 2.949 360 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 360 L CA 0.000 54.867 54.840 0.046 0.000 0.813 360 L CB 0.000 42.073 42.059 0.024 0.000 0.961 360 L HN 0.000 nan 8.230 nan 0.000 0.502