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 3crl_1_A DATA FIRST_RESID 12 DATA SEQUENCE SLAGAPKYIE HFSKFSPSPL SMKQFLDFGS SNACEKTSFT FLRQELPVRL DATA SEQUENCE ANIMKEINLL PDRVLSTPSV QLVQSWYVQS LLDIMEFLDK DPEDHRTLSQ DATA SEQUENCE FTDALVTIRN RHNDVVPTMA QGVLEYKDTY GDDPVSNQNI QYFLDRFYLS DATA SEQUENCE RISIRMLINQ HTLIFDGSTN PAHPKHIGSI DPNCSVSDVV KDAYDMAKLL DATA SEQUENCE CDKYYMASPD LEIQEVNATN ATQPIHMVYV PSHLYHMLFE LFKNAMRATV DATA SEQUENCE ESHESSLTLP PIKIMVALGE EDLSIKMSDR GGGVPLRKIE RLFSYMYSTA DATA SEQUENCE PXXXXXXXXX XLAGFGYGLP ISRLYAKYFQ GDLQLFSMEG FGTDAVIYLK DATA SEQUENCE ALSTDSVERL PVYNKSAWRH YQTIQEAGDW CVPSTEPKNT S 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.739 174.600 0.231 0.000 1.055 12 S CA 0.000 58.321 58.200 0.202 0.000 1.107 12 S CB 0.000 63.288 63.200 0.147 0.000 0.593 13 L N 2.748 124.057 121.223 0.143 0.000 2.042 13 L HA 0.104 4.444 4.340 -0.000 0.000 0.210 13 L C 2.598 179.498 176.870 0.050 0.000 1.076 13 L CA 2.857 57.765 54.840 0.113 0.000 0.749 13 L CB -1.183 40.924 42.059 0.081 0.000 0.893 13 L HN 1.060 nan 8.230 nan 0.000 0.432 14 A N -0.681 122.154 122.820 0.024 0.000 1.978 14 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 14 A C 2.116 179.639 177.584 -0.103 0.000 1.170 14 A CA 1.454 53.476 52.037 -0.024 0.000 0.636 14 A CB -1.372 17.621 19.000 -0.011 0.000 0.810 14 A HN 0.552 nan 8.150 nan 0.000 0.448 15 G N -1.536 107.162 108.800 -0.170 0.000 3.233 15 G HA2 0.330 4.290 3.960 -0.000 0.000 0.227 15 G HA3 0.330 4.290 3.960 -0.000 0.000 0.227 15 G C 1.257 175.530 174.900 -1.046 0.000 1.175 15 G CA 0.838 45.641 45.100 -0.496 0.000 0.781 15 G HN 0.657 nan 8.290 nan 0.000 0.542 16 A N 2.040 124.573 122.820 -0.478 0.000 1.940 16 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 16 A C 0.643 178.120 177.584 -0.178 0.000 1.176 16 A CA 1.674 53.582 52.037 -0.214 0.000 0.631 16 A CB -0.808 18.223 19.000 0.051 0.000 0.814 16 A HN 0.367 nan 8.150 nan 0.000 0.446 17 P HA -0.060 nan 4.420 nan 0.000 0.221 17 P C 1.167 178.419 177.300 -0.080 0.000 1.150 17 P CA 1.163 64.209 63.100 -0.090 0.000 0.800 17 P CB 0.012 31.661 31.700 -0.085 0.000 0.787 18 K N -1.160 119.133 120.400 -0.178 0.000 2.167 18 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 18 K C 2.195 178.849 176.600 0.090 0.000 1.052 18 K CA 0.995 57.233 56.287 -0.082 0.000 0.956 18 K CB -0.440 31.986 32.500 -0.123 0.000 0.735 18 K HN 0.262 nan 8.250 nan 0.000 0.451 19 Y N 0.846 121.219 120.300 0.120 0.000 2.207 19 Y HA -0.236 4.313 4.550 -0.000 0.000 0.287 19 Y C 2.242 178.335 175.900 0.321 0.000 1.156 19 Y CA -0.033 58.207 58.100 0.233 0.000 1.182 19 Y CB -0.147 38.462 38.460 0.249 0.000 0.979 19 Y HN -0.017 nan 8.280 nan 0.000 0.521 20 I N 0.434 121.201 120.570 0.329 0.000 2.142 20 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 20 I C 2.354 178.576 176.117 0.176 0.000 1.078 20 I CA 1.518 62.960 61.300 0.236 0.000 1.343 20 I CB -1.141 36.926 38.000 0.112 0.000 1.046 20 I HN 0.213 nan 8.210 nan 0.000 0.405 21 E N 0.141 120.403 120.200 0.103 0.000 2.160 21 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 21 E C 2.179 178.784 176.600 0.008 0.000 0.991 21 E CA 1.397 57.821 56.400 0.040 0.000 0.810 21 E CB -0.286 29.421 29.700 0.011 0.000 0.742 21 E HN 0.536 nan 8.360 nan 0.000 0.466 22 H N -1.515 117.532 119.070 -0.039 0.000 2.307 22 H HA -0.027 4.529 4.556 -0.000 0.000 0.303 22 H C 1.513 176.676 175.328 -0.275 0.000 1.073 22 H CA 2.083 58.008 56.048 -0.205 0.000 1.338 22 H CB -0.298 29.318 29.762 -0.244 0.000 1.389 22 H HN 0.213 nan 8.280 nan 0.000 0.503 23 F N 0.226 120.269 119.950 0.156 0.000 2.293 23 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 23 F C 2.870 178.735 175.800 0.108 0.000 1.089 23 F CA 0.858 58.994 58.000 0.228 0.000 1.377 23 F CB -0.256 38.911 39.000 0.279 0.000 1.051 23 F HN 0.300 nan 8.300 nan 0.000 0.511 24 S N 0.177 116.002 115.700 0.208 0.000 2.419 24 S HA -0.208 4.262 4.470 -0.000 0.000 0.233 24 S C 1.821 176.484 174.600 0.105 0.000 1.016 24 S CA 0.995 59.292 58.200 0.161 0.000 0.974 24 S CB -0.496 62.758 63.200 0.090 0.000 0.786 24 S HN 0.375 nan 8.310 nan 0.000 0.492 25 K N -0.078 120.247 120.400 -0.126 0.000 2.211 25 K HA 0.099 4.419 4.320 -0.000 0.000 0.203 25 K C -0.181 176.256 176.600 -0.272 0.000 1.050 25 K CA 0.586 56.705 56.287 -0.279 0.000 0.945 25 K CB -0.161 32.002 32.500 -0.560 0.000 0.732 25 K HN 0.375 nan 8.250 nan 0.000 0.451 26 F N 0.214 120.169 119.950 0.009 0.000 2.378 26 F HA 0.135 4.662 4.527 -0.000 0.000 0.319 26 F C 0.906 176.745 175.800 0.065 0.000 1.155 26 F CA -0.917 57.097 58.000 0.023 0.000 1.157 26 F CB 0.882 39.902 39.000 0.033 0.000 1.252 26 F HN -0.287 nan 8.300 nan 0.000 0.550 27 S N 1.825 117.693 115.700 0.281 0.000 2.462 27 S HA 0.558 5.028 4.470 -0.000 0.000 0.294 27 S C -2.553 172.136 174.600 0.148 0.000 1.144 27 S CA -1.628 56.677 58.200 0.175 0.000 1.088 27 S CB 0.676 63.952 63.200 0.127 0.000 1.009 27 S HN 0.211 nan 8.310 nan 0.000 0.484 28 P HA 0.156 nan 4.420 nan 0.000 0.270 28 P C -1.119 176.234 177.300 0.088 0.000 1.227 28 P CA -0.164 62.990 63.100 0.088 0.000 0.788 28 P CB 0.399 32.149 31.700 0.083 0.000 0.926 29 S N 2.132 117.891 115.700 0.098 0.000 2.601 29 S HA 0.346 4.816 4.470 -0.000 0.000 0.312 29 S C -2.450 172.229 174.600 0.132 0.000 1.107 29 S CA -1.107 57.170 58.200 0.129 0.000 1.129 29 S CB 0.567 63.892 63.200 0.207 0.000 0.982 29 S HN 0.358 nan 8.310 nan 0.000 0.469 30 P HA 0.212 nan 4.420 nan 0.000 0.271 30 P C -0.938 176.381 177.300 0.031 0.000 1.226 30 P CA -0.215 62.923 63.100 0.064 0.000 0.765 30 P CB 0.537 32.263 31.700 0.042 0.000 0.835 31 L N 2.523 123.762 121.223 0.026 0.000 2.325 31 L HA 0.353 4.693 4.340 -0.000 0.000 0.278 31 L C 1.204 178.096 176.870 0.036 0.000 1.023 31 L CA -0.712 54.065 54.840 -0.106 0.000 0.811 31 L CB 1.660 43.445 42.059 -0.457 0.000 1.249 31 L HN 0.408 nan 8.230 nan 0.000 0.431 32 S N 1.742 117.429 115.700 -0.021 0.000 2.632 32 S HA 0.237 4.707 4.470 -0.000 0.000 0.267 32 S C 0.799 175.467 174.600 0.112 0.000 1.276 32 S CA -0.608 57.636 58.200 0.074 0.000 0.998 32 S CB 1.254 64.461 63.200 0.012 0.000 0.953 32 S HN 0.775 nan 8.310 nan 0.000 0.547 33 M N 0.453 120.090 119.600 0.061 0.000 2.254 33 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 33 M C 2.005 178.334 176.300 0.049 0.000 1.066 33 M CA 1.368 56.682 55.300 0.023 0.000 1.123 33 M CB -0.292 32.112 32.600 -0.326 0.000 1.388 33 M HN 0.834 nan 8.290 nan 0.000 0.425 34 K N 0.414 120.816 120.400 0.003 0.000 2.063 34 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 34 K C 1.732 178.334 176.600 0.004 0.000 1.048 34 K CA 1.944 58.232 56.287 0.001 0.000 0.928 34 K CB -0.246 32.248 32.500 -0.009 0.000 0.713 34 K HN 0.467 nan 8.250 nan 0.000 0.442 35 Q N -1.029 118.743 119.800 -0.046 0.000 2.084 35 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 35 Q C 2.068 178.018 176.000 -0.083 0.000 0.978 35 Q CA 1.968 57.700 55.803 -0.118 0.000 0.844 35 Q CB -0.226 28.358 28.738 -0.257 0.000 0.898 35 Q HN 0.323 nan 8.270 nan 0.000 0.426 36 F N -0.151 119.805 119.950 0.010 0.000 2.161 36 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 36 F C 2.044 177.890 175.800 0.077 0.000 1.089 36 F CA 0.527 58.553 58.000 0.044 0.000 1.282 36 F CB -0.055 38.950 39.000 0.008 0.000 1.010 36 F HN 0.116 nan 8.300 nan 0.000 0.485 37 L N -0.160 121.183 121.223 0.200 0.000 2.179 37 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 37 L C 1.670 178.587 176.870 0.078 0.000 1.096 37 L CA 1.682 56.583 54.840 0.101 0.000 0.779 37 L CB -0.633 41.449 42.059 0.038 0.000 0.922 37 L HN -0.042 nan 8.230 nan 0.000 0.443 38 D N -1.670 118.778 120.400 0.080 0.000 2.234 38 D HA -0.153 4.487 4.640 -0.000 0.000 0.205 38 D C 1.894 178.244 176.300 0.085 0.000 0.962 38 D CA 0.737 54.770 54.000 0.055 0.000 0.855 38 D CB -0.015 40.805 40.800 0.033 0.000 0.951 38 D HN 0.298 nan 8.370 nan 0.000 0.500 39 F N 1.813 121.761 119.950 -0.004 0.000 2.060 39 F HA 0.052 4.579 4.527 -0.000 0.000 0.295 39 F C 1.968 177.789 175.800 0.035 0.000 1.120 39 F CA 1.474 59.484 58.000 0.016 0.000 1.205 39 F CB -0.450 38.565 39.000 0.024 0.000 0.986 39 F HN -0.074 nan 8.300 nan 0.000 0.470 40 G N 0.474 109.289 108.800 0.024 0.000 3.356 40 G HA2 0.135 4.094 3.960 -0.000 0.000 0.239 40 G HA3 0.135 4.094 3.960 -0.000 0.000 0.239 40 G C 1.006 175.850 174.900 -0.093 0.000 1.252 40 G CA 0.481 45.512 45.100 -0.115 0.000 1.611 40 G HN 0.534 nan 8.290 nan 0.000 0.580 41 S N 0.164 115.800 115.700 -0.107 0.000 2.459 41 S HA -0.076 4.394 4.470 -0.000 0.000 0.204 41 S C 2.108 176.664 174.600 -0.074 0.000 1.102 41 S CA 1.394 59.553 58.200 -0.068 0.000 1.258 41 S CB -0.567 62.597 63.200 -0.061 0.000 1.033 41 S HN 0.289 nan 8.310 nan 0.000 0.398 42 S N 2.352 118.004 115.700 -0.080 0.000 2.500 42 S HA 0.200 4.670 4.470 -0.000 0.000 0.174 42 S C 0.221 174.769 174.600 -0.086 0.000 0.857 42 S CA -0.123 58.037 58.200 -0.067 0.000 0.905 42 S CB -0.751 62.421 63.200 -0.048 0.000 0.819 42 S HN 0.764 nan 8.310 nan 0.000 0.557 43 N N 1.915 120.566 118.700 -0.083 0.000 2.589 43 N HA 0.486 5.226 4.740 -0.000 0.000 0.232 43 N C -0.755 174.678 175.510 -0.127 0.000 1.015 43 N CA -0.312 52.691 53.050 -0.078 0.000 0.931 43 N CB 1.352 39.819 38.487 -0.035 0.000 1.150 43 N HN 0.379 nan 8.380 nan 0.000 0.512 44 A N 1.719 124.413 122.820 -0.210 0.000 2.511 44 A HA 0.093 4.413 4.320 -0.000 0.000 0.242 44 A C 0.269 177.817 177.584 -0.060 0.000 1.069 44 A CA -0.474 51.311 52.037 -0.421 0.000 0.763 44 A CB 0.234 18.841 19.000 -0.655 0.000 1.001 44 A HN 0.869 nan 8.150 nan 0.000 0.498 45 C N 2.984 122.201 119.300 -0.139 0.000 2.246 45 C HA 0.337 4.797 4.460 -0.000 0.000 0.329 45 C C 1.455 176.515 174.990 0.117 0.000 1.221 45 C CA -0.357 58.699 59.018 0.063 0.000 1.697 45 C CB -1.049 26.724 27.740 0.056 0.000 2.312 45 C HN 1.072 nan 8.230 nan 0.000 0.509 46 E N 3.038 123.102 120.200 -0.226 0.000 2.204 46 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 46 E C 1.827 178.317 176.600 -0.184 0.000 0.990 46 E CA 1.163 57.122 56.400 -0.736 0.000 0.821 46 E CB 0.192 29.402 29.700 -0.817 0.000 0.750 46 E HN 0.721 nan 8.360 nan 0.000 0.477 47 K N -0.303 120.064 120.400 -0.054 0.000 1.985 47 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 47 K C 2.456 179.142 176.600 0.143 0.000 1.047 47 K CA 1.948 58.263 56.287 0.047 0.000 0.932 47 K CB -0.468 32.044 32.500 0.020 0.000 0.716 47 K HN 0.267 nan 8.250 nan 0.000 0.439 48 T N -1.383 113.266 114.554 0.158 0.000 2.833 48 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 48 T C 2.141 176.944 174.700 0.172 0.000 1.054 48 T CA 1.833 64.031 62.100 0.164 0.000 1.135 48 T CB -0.124 68.857 68.868 0.187 0.000 0.869 48 T HN 0.050 nan 8.240 nan 0.000 0.466 49 S N -0.039 115.814 115.700 0.255 0.000 2.383 49 S HA 0.007 4.477 4.470 -0.000 0.000 0.227 49 S C 1.489 176.263 174.600 0.291 0.000 1.026 49 S CA 0.875 59.243 58.200 0.281 0.000 0.981 49 S CB -0.713 62.793 63.200 0.511 0.000 0.818 49 S HN 0.584 nan 8.310 nan 0.000 0.472 50 F N 2.870 122.832 119.950 0.020 0.000 2.051 50 F HA -0.094 4.433 4.527 -0.000 0.000 0.296 50 F C 2.643 178.244 175.800 -0.332 0.000 1.122 50 F CA 2.378 60.159 58.000 -0.364 0.000 1.201 50 F CB -1.319 37.429 39.000 -0.421 0.000 0.978 50 F HN 0.342 nan 8.300 nan 0.000 0.472 51 T N -1.536 112.826 114.554 -0.320 0.000 2.929 51 T HA -0.222 4.128 4.350 -0.000 0.000 0.271 51 T C 1.812 176.385 174.700 -0.212 0.000 1.085 51 T CA 1.310 63.191 62.100 -0.364 0.000 1.125 51 T CB -1.204 67.607 68.868 -0.094 0.000 0.874 51 T HN 0.370 nan 8.240 nan 0.000 0.494 52 F N 1.866 121.677 119.950 -0.232 0.000 2.074 52 F HA 0.306 4.833 4.527 -0.000 0.000 0.290 52 F C 1.980 177.671 175.800 -0.181 0.000 1.118 52 F CA 0.543 58.440 58.000 -0.172 0.000 1.199 52 F CB -0.463 38.459 39.000 -0.130 0.000 1.012 52 F HN 0.013 nan 8.300 nan 0.000 0.472 53 L N 0.420 121.524 121.223 -0.199 0.000 2.083 53 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 53 L C 2.636 179.337 176.870 -0.280 0.000 1.083 53 L CA 1.582 56.282 54.840 -0.233 0.000 0.752 53 L CB -0.804 41.299 42.059 0.074 0.000 0.899 53 L HN 0.171 nan 8.230 nan 0.000 0.433 54 R N 0.008 120.241 120.500 -0.445 0.000 2.170 54 R HA -0.260 4.080 4.340 -0.000 0.000 0.242 54 R C 2.140 178.233 176.300 -0.344 0.000 1.145 54 R CA 1.845 57.645 56.100 -0.501 0.000 0.984 54 R CB 0.049 29.770 30.300 -0.965 0.000 0.869 54 R HN 0.325 nan 8.270 nan 0.000 0.455 55 Q N -0.714 118.869 119.800 -0.361 0.000 2.462 55 Q HA -0.011 4.329 4.340 -0.000 0.000 0.224 55 Q C 1.560 177.356 176.000 -0.339 0.000 0.911 55 Q CA 0.939 56.579 55.803 -0.272 0.000 0.925 55 Q CB 0.378 28.989 28.738 -0.213 0.000 1.063 55 Q HN 0.226 nan 8.270 nan 0.000 0.572 56 E N 0.156 120.041 120.200 -0.526 0.000 2.077 56 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 56 E C 1.569 177.970 176.600 -0.332 0.000 0.989 56 E CA 1.211 57.288 56.400 -0.538 0.000 0.800 56 E CB -0.202 28.854 29.700 -1.073 0.000 0.746 56 E HN 0.388 nan 8.360 nan 0.000 0.452 57 L N 0.294 121.327 121.223 -0.316 0.000 2.056 57 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 57 L C -0.660 176.064 176.870 -0.244 0.000 1.078 57 L CA 1.090 55.793 54.840 -0.229 0.000 0.749 57 L CB -1.346 40.593 42.059 -0.200 0.000 0.901 57 L HN 0.190 nan 8.230 nan 0.000 0.433 58 P HA -0.184 nan 4.420 nan 0.000 0.216 58 P C 1.950 179.035 177.300 -0.359 0.000 1.157 58 P CA 1.390 64.131 63.100 -0.599 0.000 0.880 58 P CB 0.008 30.869 31.700 -1.397 0.000 0.791 59 V N -0.178 119.616 119.914 -0.200 0.000 2.233 59 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 59 V C 2.501 178.642 176.094 0.078 0.000 1.050 59 V CA 2.045 64.400 62.300 0.092 0.000 1.010 59 V CB -1.052 30.838 31.823 0.111 0.000 0.637 59 V HN 0.054 nan 8.190 nan 0.000 0.444 60 R N -0.546 119.959 120.500 0.008 0.000 2.081 60 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 60 R C 2.280 178.625 176.300 0.074 0.000 1.131 60 R CA 1.424 57.544 56.100 0.034 0.000 0.960 60 R CB -0.477 29.819 30.300 -0.007 0.000 0.856 60 R HN 0.418 nan 8.270 nan 0.000 0.436 61 L N 0.035 121.292 121.223 0.056 0.000 1.976 61 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 61 L C 2.714 179.695 176.870 0.186 0.000 1.071 61 L CA 1.505 56.443 54.840 0.162 0.000 0.746 61 L CB -0.654 41.457 42.059 0.088 0.000 0.890 61 L HN 0.249 nan 8.230 nan 0.000 0.432 62 A N -0.116 122.790 122.820 0.143 0.000 1.908 62 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 62 A C 2.115 179.779 177.584 0.134 0.000 1.181 62 A CA 2.086 54.228 52.037 0.175 0.000 0.627 62 A CB -0.784 18.384 19.000 0.280 0.000 0.818 62 A HN 0.512 nan 8.150 nan 0.000 0.445 63 N N -0.639 118.152 118.700 0.152 0.000 2.084 63 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 63 N C 1.702 177.285 175.510 0.123 0.000 1.030 63 N CA 1.792 54.939 53.050 0.162 0.000 0.849 63 N CB -0.273 38.331 38.487 0.195 0.000 1.012 63 N HN 0.455 nan 8.380 nan 0.000 0.423 64 I N 1.585 122.229 120.570 0.123 0.000 2.353 64 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 64 I C 2.210 178.384 176.117 0.095 0.000 1.119 64 I CA 0.956 62.326 61.300 0.117 0.000 1.417 64 I CB -0.156 37.900 38.000 0.093 0.000 1.078 64 I HN 0.084 nan 8.210 nan 0.000 0.421 65 M N -0.437 119.208 119.600 0.075 0.000 2.159 65 M HA -0.235 4.245 4.480 -0.000 0.000 0.263 65 M C 2.153 178.421 176.300 -0.054 0.000 1.063 65 M CA 1.586 56.903 55.300 0.028 0.000 1.110 65 M CB -0.333 32.325 32.600 0.097 0.000 1.374 65 M HN -0.033 nan 8.290 nan 0.000 0.411 66 K N 0.596 120.921 120.400 -0.126 0.000 2.209 66 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 66 K C 1.518 177.920 176.600 -0.329 0.000 1.048 66 K CA 1.259 57.344 56.287 -0.337 0.000 0.940 66 K CB 0.053 32.130 32.500 -0.705 0.000 0.729 66 K HN 0.397 nan 8.250 nan 0.000 0.451 67 E N -0.386 119.739 120.200 -0.124 0.000 2.230 67 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 67 E C 1.831 178.382 176.600 -0.082 0.000 0.987 67 E CA 0.621 57.026 56.400 0.008 0.000 0.841 67 E CB 0.026 29.932 29.700 0.343 0.000 0.783 67 E HN 0.304 nan 8.360 nan 0.000 0.481 68 I N 1.519 122.076 120.570 -0.022 0.000 2.163 68 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 68 I C 1.468 177.366 176.117 -0.365 0.000 1.085 68 I CA 1.263 62.422 61.300 -0.236 0.000 1.347 68 I CB -0.344 37.553 38.000 -0.172 0.000 1.044 68 I HN 0.033 nan 8.210 nan 0.000 0.408 69 N N 0.366 118.912 118.700 -0.257 0.000 2.551 69 N HA 0.050 4.790 4.740 -0.000 0.000 0.199 69 N C 1.182 176.538 175.510 -0.258 0.000 1.277 69 N CA 0.111 53.022 53.050 -0.233 0.000 0.870 69 N CB 0.203 38.597 38.487 -0.156 0.000 1.028 69 N HN 0.344 nan 8.380 nan 0.000 0.452 70 L N -0.112 120.873 121.223 -0.396 0.000 2.672 70 L HA 0.228 4.568 4.340 -0.000 0.000 0.236 70 L C -0.155 176.408 176.870 -0.512 0.000 1.092 70 L CA -0.246 54.312 54.840 -0.470 0.000 0.887 70 L CB 0.079 41.714 42.059 -0.707 0.000 1.168 70 L HN 0.160 nan 8.230 nan 0.000 0.502 71 L N -1.611 119.281 121.223 -0.551 0.000 2.439 71 L HA 0.447 4.787 4.340 -0.000 0.000 0.269 71 L C -2.312 174.354 176.870 -0.340 0.000 1.179 71 L CA -1.812 52.767 54.840 -0.436 0.000 0.828 71 L CB -1.275 40.399 42.059 -0.643 0.000 1.106 71 L HN -0.245 nan 8.230 nan 0.000 0.467 72 P HA -0.064 nan 4.420 nan 0.000 0.264 72 P C 0.072 177.225 177.300 -0.245 0.000 1.173 72 P CA 0.300 63.259 63.100 -0.235 0.000 0.761 72 P CB 0.380 31.938 31.700 -0.237 0.000 0.794 73 D N 2.253 122.540 120.400 -0.188 0.000 2.228 73 D HA -0.165 4.475 4.640 -0.000 0.000 0.203 73 D C 1.706 177.921 176.300 -0.142 0.000 0.988 73 D CA 1.284 55.192 54.000 -0.154 0.000 0.864 73 D CB 0.001 40.736 40.800 -0.109 0.000 0.928 73 D HN 0.391 nan 8.370 nan 0.000 0.469 74 R N -0.210 120.180 120.500 -0.185 0.000 2.120 74 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 74 R C 2.256 178.566 176.300 0.016 0.000 1.123 74 R CA 0.594 56.616 56.100 -0.130 0.000 0.975 74 R CB -0.015 30.032 30.300 -0.422 0.000 0.866 74 R HN 0.120 nan 8.270 nan 0.000 0.446 75 V N 0.483 120.285 119.914 -0.186 0.000 2.599 75 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 75 V C 2.116 178.086 176.094 -0.207 0.000 1.046 75 V CA 1.024 63.170 62.300 -0.257 0.000 1.065 75 V CB -0.310 31.195 31.823 -0.530 0.000 0.703 75 V HN 0.227 nan 8.190 nan 0.000 0.464 76 L N 0.128 121.217 121.223 -0.224 0.000 2.083 76 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 76 L C 2.518 179.311 176.870 -0.129 0.000 1.083 76 L CA 1.449 56.168 54.840 -0.202 0.000 0.752 76 L CB -0.355 41.584 42.059 -0.199 0.000 0.899 76 L HN 0.306 nan 8.230 nan 0.000 0.433 77 S N -1.554 114.098 115.700 -0.081 0.000 2.474 77 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 77 S C 1.054 175.638 174.600 -0.027 0.000 0.997 77 S CA 0.508 58.684 58.200 -0.040 0.000 0.949 77 S CB -0.285 62.914 63.200 -0.002 0.000 0.766 77 S HN 0.400 nan 8.310 nan 0.000 0.517 78 T N 2.308 116.846 114.554 -0.027 0.000 2.884 78 T HA 0.170 4.520 4.350 -0.000 0.000 0.298 78 T C -1.825 172.845 174.700 -0.050 0.000 0.998 78 T CA -1.955 60.138 62.100 -0.013 0.000 1.124 78 T CB 0.900 69.781 68.868 0.021 0.000 0.931 78 T HN -0.058 nan 8.240 nan 0.000 0.531 79 P HA -0.103 nan 4.420 nan 0.000 0.216 79 P C 1.494 178.732 177.300 -0.105 0.000 1.154 79 P CA 1.166 64.228 63.100 -0.065 0.000 0.865 79 P CB 0.137 31.812 31.700 -0.041 0.000 0.789 80 S N -1.066 114.581 115.700 -0.088 0.000 2.362 80 S HA -0.072 4.398 4.470 -0.000 0.000 0.221 80 S C 2.030 176.529 174.600 -0.168 0.000 1.032 80 S CA 0.991 59.123 58.200 -0.113 0.000 0.973 80 S CB -1.165 62.013 63.200 -0.037 0.000 0.849 80 S HN -0.047 nan 8.310 nan 0.000 0.465 81 V N 1.955 121.778 119.914 -0.151 0.000 2.392 81 V HA -0.203 3.916 4.120 -0.000 0.000 0.249 81 V C 2.514 178.472 176.094 -0.226 0.000 1.059 81 V CA 1.686 63.861 62.300 -0.209 0.000 1.051 81 V CB -0.587 31.097 31.823 -0.232 0.000 0.658 81 V HN 0.479 nan 8.190 nan 0.000 0.455 82 Q N -1.142 118.542 119.800 -0.194 0.000 2.230 82 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 82 Q C 2.152 178.010 176.000 -0.236 0.000 0.963 82 Q CA 0.961 56.656 55.803 -0.181 0.000 0.866 82 Q CB 0.002 28.660 28.738 -0.134 0.000 0.931 82 Q HN 0.546 nan 8.270 nan 0.000 0.452 83 L N -0.111 120.918 121.223 -0.324 0.000 2.027 83 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 83 L C 2.194 178.525 176.870 -0.899 0.000 1.074 83 L CA 1.560 56.071 54.840 -0.550 0.000 0.745 83 L CB -0.894 40.833 42.059 -0.553 0.000 0.898 83 L HN 0.123 nan 8.230 nan 0.000 0.433 84 V N -0.671 118.815 119.914 -0.714 0.000 2.515 84 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 84 V C 2.416 178.526 176.094 0.026 0.000 1.058 84 V CA 2.118 64.198 62.300 -0.367 0.000 1.064 84 V CB -0.432 31.411 31.823 0.034 0.000 0.675 84 V HN 0.790 nan 8.190 nan 0.000 0.461 85 Q N 0.732 120.474 119.800 -0.096 0.000 2.077 85 Q HA -0.240 4.099 4.340 -0.000 0.000 0.206 85 Q C 2.350 178.402 176.000 0.087 0.000 0.989 85 Q CA 2.781 58.578 55.803 -0.011 0.000 0.853 85 Q CB -0.289 28.393 28.738 -0.094 0.000 0.907 85 Q HN 0.906 nan 8.270 nan 0.000 0.418 86 S N -1.081 114.606 115.700 -0.022 0.000 2.423 86 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 86 S C 1.481 176.198 174.600 0.195 0.000 1.014 86 S CA 0.623 58.846 58.200 0.039 0.000 0.965 86 S CB -0.536 62.635 63.200 -0.047 0.000 0.785 86 S HN 0.478 nan 8.310 nan 0.000 0.495 87 W N 1.166 122.523 121.300 0.095 0.000 2.379 87 W HA 0.144 4.804 4.660 -0.000 0.000 0.307 87 W C 2.114 178.732 176.519 0.164 0.000 1.200 87 W CA -0.012 57.348 57.345 0.026 0.000 1.297 87 W CB -1.488 27.810 29.460 -0.270 0.000 1.140 87 W HN 0.382 nan 8.180 nan 0.000 0.507 88 Y N -0.141 120.385 120.300 0.377 0.000 2.352 88 Y HA -0.193 4.357 4.550 -0.000 0.000 0.292 88 Y C 2.453 178.492 175.900 0.232 0.000 1.136 88 Y CA 1.199 59.508 58.100 0.349 0.000 1.227 88 Y CB -0.686 37.952 38.460 0.297 0.000 0.991 88 Y HN -0.340 nan 8.280 nan 0.000 0.545 89 V N -0.364 119.750 119.914 0.333 0.000 2.307 89 V HA -0.291 3.829 4.120 -0.000 0.000 0.245 89 V C 2.321 178.538 176.094 0.206 0.000 1.045 89 V CA 1.736 64.175 62.300 0.231 0.000 1.024 89 V CB -0.497 31.430 31.823 0.173 0.000 0.651 89 V HN 0.354 nan 8.190 nan 0.000 0.449 90 Q N 0.013 119.942 119.800 0.215 0.000 2.050 90 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 90 Q C 2.556 178.642 176.000 0.145 0.000 0.980 90 Q CA 2.089 57.999 55.803 0.179 0.000 0.840 90 Q CB -0.538 28.317 28.738 0.196 0.000 0.898 90 Q HN 0.641 nan 8.270 nan 0.000 0.424 91 S N 1.242 117.032 115.700 0.151 0.000 2.383 91 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 91 S C 1.911 176.521 174.600 0.017 0.000 1.030 91 S CA 0.666 58.894 58.200 0.047 0.000 1.002 91 S CB -0.280 62.886 63.200 -0.057 0.000 0.829 91 S HN 0.327 nan 8.310 nan 0.000 0.467 92 L N 1.043 122.299 121.223 0.056 0.000 1.989 92 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 92 L C 2.169 179.060 176.870 0.034 0.000 1.071 92 L CA 1.637 56.496 54.840 0.031 0.000 0.749 92 L CB -0.470 41.651 42.059 0.103 0.000 0.890 92 L HN 0.346 nan 8.230 nan 0.000 0.431 93 L N -0.475 120.801 121.223 0.088 0.000 2.046 93 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 93 L C 2.306 179.219 176.870 0.071 0.000 1.077 93 L CA 1.240 56.126 54.840 0.076 0.000 0.747 93 L CB -0.670 41.461 42.059 0.120 0.000 0.896 93 L HN 0.300 nan 8.230 nan 0.000 0.432 94 D N 0.334 120.792 120.400 0.096 0.000 2.092 94 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 94 D C 2.227 178.683 176.300 0.259 0.000 0.994 94 D CA 1.547 55.635 54.000 0.146 0.000 0.828 94 D CB -0.173 40.703 40.800 0.126 0.000 0.963 94 D HN 0.320 nan 8.370 nan 0.000 0.450 95 I N 0.261 120.937 120.570 0.176 0.000 2.315 95 I HA -0.193 3.976 4.170 -0.000 0.000 0.248 95 I C 2.477 178.722 176.117 0.212 0.000 1.117 95 I CA 0.663 62.093 61.300 0.216 0.000 1.404 95 I CB -0.140 37.867 38.000 0.012 0.000 1.071 95 I HN -0.062 nan 8.210 nan 0.000 0.419 96 M N -0.140 119.497 119.600 0.063 0.000 2.279 96 M HA -0.216 4.264 4.480 -0.000 0.000 0.264 96 M C 2.007 178.322 176.300 0.024 0.000 1.062 96 M CA 1.416 56.717 55.300 0.002 0.000 1.099 96 M CB -0.351 32.184 32.600 -0.107 0.000 1.394 96 M HN 0.169 nan 8.290 nan 0.000 0.426 97 E N -0.262 119.959 120.200 0.036 0.000 2.463 97 E HA -0.144 4.205 4.350 -0.000 0.000 0.201 97 E C 0.911 177.384 176.600 -0.212 0.000 1.045 97 E CA 0.769 57.109 56.400 -0.100 0.000 0.872 97 E CB 0.109 29.711 29.700 -0.163 0.000 0.797 97 E HN 0.462 nan 8.360 nan 0.000 0.538 98 F N -0.921 119.066 119.950 0.061 0.000 2.720 98 F HA 0.161 4.688 4.527 -0.000 0.000 0.301 98 F C 1.512 177.328 175.800 0.026 0.000 1.103 98 F CA -0.192 57.875 58.000 0.111 0.000 1.291 98 F CB 0.239 39.368 39.000 0.214 0.000 1.086 98 F HN -0.018 nan 8.300 nan 0.000 0.592 99 L N 0.136 121.426 121.223 0.111 0.000 1.978 99 L HA -0.277 4.062 4.340 -0.000 0.000 0.218 99 L C 1.145 178.033 176.870 0.030 0.000 1.075 99 L CA 1.770 56.627 54.840 0.028 0.000 0.767 99 L CB -0.488 41.589 42.059 0.030 0.000 0.890 99 L HN 0.043 nan 8.230 nan 0.000 0.434 100 D N -0.975 119.445 120.400 0.032 0.000 2.319 100 D HA 0.028 4.668 4.640 -0.000 0.000 0.230 100 D C 0.438 176.770 176.300 0.054 0.000 1.094 100 D CA 0.229 54.246 54.000 0.028 0.000 0.856 100 D CB 0.113 40.917 40.800 0.006 0.000 0.915 100 D HN 0.025 nan 8.370 nan 0.000 0.517 101 K N 0.840 121.306 120.400 0.110 0.000 2.219 101 K HA 0.141 4.460 4.320 -0.000 0.000 0.258 101 K C -0.302 176.401 176.600 0.172 0.000 1.008 101 K CA -0.295 56.080 56.287 0.147 0.000 0.928 101 K CB 0.616 33.276 32.500 0.266 0.000 0.983 101 K HN -0.201 nan 8.250 nan 0.000 0.484 102 D N 2.523 122.982 120.400 0.099 0.000 2.317 102 D HA 0.265 4.905 4.640 -0.000 0.000 0.234 102 D C -2.327 173.980 176.300 0.012 0.000 1.112 102 D CA -2.095 51.942 54.000 0.060 0.000 0.840 102 D CB 0.889 41.700 40.800 0.017 0.000 1.078 102 D HN 0.187 nan 8.370 nan 0.000 0.486 103 P HA 0.152 nan 4.420 nan 0.000 0.275 103 P C 0.159 177.402 177.300 -0.096 0.000 1.270 103 P CA -0.058 63.011 63.100 -0.051 0.000 0.791 103 P CB 0.443 32.207 31.700 0.106 0.000 1.089 104 E N -2.689 117.421 120.200 -0.150 0.000 3.912 104 E HA -0.279 4.071 4.350 -0.000 0.000 0.335 104 E C -0.325 176.174 176.600 -0.167 0.000 0.654 104 E CA 1.366 57.673 56.400 -0.154 0.000 1.177 104 E CB -1.276 28.377 29.700 -0.078 0.000 1.650 104 E HN 0.524 nan 8.360 nan 0.000 0.430 105 D N -0.950 119.359 120.400 -0.151 0.000 2.428 105 D HA 0.113 4.753 4.640 -0.000 0.000 0.221 105 D C 0.967 177.204 176.300 -0.105 0.000 1.123 105 D CA -0.197 53.746 54.000 -0.096 0.000 0.869 105 D CB 0.468 41.236 40.800 -0.055 0.000 1.032 105 D HN 0.164 nan 8.370 nan 0.000 0.506 106 H N 3.366 122.399 119.070 -0.061 0.000 2.431 106 H HA -0.138 4.418 4.556 -0.000 0.000 0.297 106 H C 1.652 176.953 175.328 -0.044 0.000 1.115 106 H CA 1.313 57.327 56.048 -0.056 0.000 1.277 106 H CB 0.448 30.194 29.762 -0.028 0.000 1.372 106 H HN 0.488 nan 8.280 nan 0.000 0.516 107 R N -0.555 120.000 120.500 0.092 0.000 2.091 107 R HA -0.102 4.238 4.340 -0.000 0.000 0.238 107 R C 2.370 178.705 176.300 0.059 0.000 1.136 107 R CA 1.755 57.894 56.100 0.066 0.000 0.959 107 R CB -0.341 29.987 30.300 0.047 0.000 0.856 107 R HN 0.226 nan 8.270 nan 0.000 0.437 108 T N 1.619 116.172 114.554 -0.002 0.000 2.788 108 T HA -0.059 4.291 4.350 -0.000 0.000 0.268 108 T C 1.881 176.516 174.700 -0.109 0.000 1.044 108 T CA 0.962 63.054 62.100 -0.014 0.000 1.139 108 T CB -0.064 68.728 68.868 -0.128 0.000 0.867 108 T HN 0.129 nan 8.240 nan 0.000 0.454 109 L N 0.418 121.499 121.223 -0.237 0.000 2.044 109 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 109 L C 2.883 179.801 176.870 0.081 0.000 1.075 109 L CA 1.037 55.751 54.840 -0.210 0.000 0.747 109 L CB -0.729 41.206 42.059 -0.207 0.000 0.903 109 L HN 0.260 nan 8.230 nan 0.000 0.435 110 S N 0.011 115.774 115.700 0.105 0.000 2.370 110 S HA -0.243 4.227 4.470 -0.000 0.000 0.226 110 S C 1.942 176.627 174.600 0.142 0.000 1.033 110 S CA 1.788 60.066 58.200 0.130 0.000 1.011 110 S CB -0.129 63.134 63.200 0.105 0.000 0.852 110 S HN 0.605 nan 8.310 nan 0.000 0.457 111 Q N -1.038 118.870 119.800 0.180 0.000 2.378 111 Q HA -0.003 4.337 4.340 -0.000 0.000 0.205 111 Q C 1.823 177.991 176.000 0.281 0.000 0.954 111 Q CA 0.831 56.774 55.803 0.233 0.000 0.901 111 Q CB -0.544 28.353 28.738 0.264 0.000 0.981 111 Q HN 0.618 nan 8.270 nan 0.000 0.483 112 F N 3.306 123.257 119.950 0.000 0.000 2.113 112 F HA -0.179 4.348 4.527 -0.000 0.000 0.297 112 F C 2.525 178.207 175.800 -0.197 0.000 1.103 112 F CA 2.152 59.901 58.000 -0.419 0.000 1.248 112 F CB -0.638 38.095 39.000 -0.445 0.000 0.999 112 F HN 0.201 nan 8.300 nan 0.000 0.475 113 T N -1.732 112.773 114.554 -0.083 0.000 2.867 113 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 113 T C 1.626 176.261 174.700 -0.109 0.000 1.057 113 T CA 1.650 63.699 62.100 -0.086 0.000 1.136 113 T CB -0.698 68.301 68.868 0.218 0.000 0.874 113 T HN 0.273 nan 8.240 nan 0.000 0.466 114 D N 1.972 122.353 120.400 -0.033 0.000 2.144 114 D HA 0.023 4.663 4.640 -0.000 0.000 0.199 114 D C 2.476 178.745 176.300 -0.051 0.000 0.984 114 D CA 1.457 55.450 54.000 -0.012 0.000 0.834 114 D CB -0.759 40.068 40.800 0.045 0.000 0.955 114 D HN 0.630 nan 8.370 nan 0.000 0.465 115 A N 0.742 123.511 122.820 -0.085 0.000 1.933 115 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 115 A C 2.369 179.822 177.584 -0.219 0.000 1.175 115 A CA 0.784 52.766 52.037 -0.092 0.000 0.628 115 A CB -0.677 18.314 19.000 -0.015 0.000 0.814 115 A HN 0.196 nan 8.150 nan 0.000 0.444 116 L N -0.610 120.386 121.223 -0.378 0.000 2.093 116 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 116 L C 2.506 179.254 176.870 -0.204 0.000 1.085 116 L CA 0.922 55.544 54.840 -0.362 0.000 0.755 116 L CB -0.672 41.103 42.059 -0.474 0.000 0.904 116 L HN 0.237 nan 8.230 nan 0.000 0.435 117 V N -0.405 119.426 119.914 -0.138 0.000 2.287 117 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 117 V C 2.593 178.639 176.094 -0.082 0.000 1.053 117 V CA 2.421 64.672 62.300 -0.082 0.000 1.027 117 V CB -0.771 31.025 31.823 -0.044 0.000 0.646 117 V HN 0.453 nan 8.190 nan 0.000 0.447 118 T N 0.095 114.605 114.554 -0.075 0.000 2.684 118 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 118 T C 1.803 176.456 174.700 -0.079 0.000 1.036 118 T CA 1.890 63.955 62.100 -0.058 0.000 1.148 118 T CB -0.311 68.540 68.868 -0.028 0.000 0.863 118 T HN 0.340 nan 8.240 nan 0.000 0.436 119 I N 0.311 120.812 120.570 -0.115 0.000 2.315 119 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 119 I C 2.780 178.787 176.117 -0.182 0.000 1.117 119 I CA 1.115 62.319 61.300 -0.161 0.000 1.404 119 I CB -0.278 37.560 38.000 -0.270 0.000 1.071 119 I HN 0.109 nan 8.210 nan 0.000 0.419 120 R N 0.861 121.261 120.500 -0.167 0.000 2.092 120 R HA -0.144 4.196 4.340 -0.000 0.000 0.231 120 R C 2.012 178.259 176.300 -0.087 0.000 1.119 120 R CA 1.382 57.405 56.100 -0.129 0.000 0.970 120 R CB -0.044 30.195 30.300 -0.102 0.000 0.864 120 R HN 0.383 nan 8.270 nan 0.000 0.440 121 N N 0.500 119.146 118.700 -0.090 0.000 2.171 121 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 121 N C 1.687 177.090 175.510 -0.178 0.000 1.021 121 N CA 0.875 53.866 53.050 -0.099 0.000 0.854 121 N CB -0.342 38.100 38.487 -0.075 0.000 0.994 121 N HN 0.241 nan 8.380 nan 0.000 0.426 122 R N 0.344 120.722 120.500 -0.203 0.000 2.105 122 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 122 R C 0.682 176.465 176.300 -0.861 0.000 1.135 122 R CA 1.504 57.325 56.100 -0.465 0.000 0.967 122 R CB -0.080 30.048 30.300 -0.287 0.000 0.861 122 R HN 0.329 nan 8.270 nan 0.000 0.442 123 H N -0.634 118.103 119.070 -0.554 0.000 2.529 123 H HA 0.180 4.736 4.556 -0.000 0.000 0.277 123 H C 1.153 176.353 175.328 -0.213 0.000 1.004 123 H CA -0.176 55.623 56.048 -0.415 0.000 1.167 123 H CB 0.184 29.808 29.762 -0.230 0.000 1.445 123 H HN 0.200 nan 8.280 nan 0.000 0.554 124 N N 0.696 119.321 118.700 -0.125 0.000 2.094 124 N HA -0.136 4.604 4.740 -0.000 0.000 0.191 124 N C 0.214 175.752 175.510 0.046 0.000 1.023 124 N CA 1.294 54.328 53.050 -0.027 0.000 0.857 124 N CB 0.060 38.525 38.487 -0.038 0.000 1.013 124 N HN 0.451 nan 8.380 nan 0.000 0.426 125 D N 0.152 120.578 120.400 0.044 0.000 2.738 125 D HA 0.099 4.738 4.640 -0.000 0.000 0.246 125 D C 1.185 177.700 176.300 0.358 0.000 1.270 125 D CA -0.100 54.012 54.000 0.187 0.000 0.833 125 D CB 0.678 41.596 40.800 0.196 0.000 1.040 125 D HN -0.025 nan 8.370 nan 0.000 0.487 126 V N 0.091 120.233 119.914 0.381 0.000 2.427 126 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 126 V C 2.522 178.938 176.094 0.536 0.000 1.051 126 V CA 1.060 63.704 62.300 0.575 0.000 1.048 126 V CB -0.065 32.116 31.823 0.596 0.000 0.666 126 V HN 0.169 nan 8.190 nan 0.000 0.456 127 V N 0.370 120.531 119.914 0.412 0.000 2.270 127 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 127 V C 0.117 176.408 176.094 0.328 0.000 1.043 127 V CA 2.372 64.884 62.300 0.354 0.000 1.014 127 V CB -1.723 30.180 31.823 0.134 0.000 0.645 127 V HN 0.530 nan 8.190 nan 0.000 0.447 128 P HA -0.063 nan 4.420 nan 0.000 0.221 128 P C 1.649 179.116 177.300 0.278 0.000 1.150 128 P CA 1.329 64.607 63.100 0.297 0.000 0.800 128 P CB -0.136 31.708 31.700 0.241 0.000 0.787 129 T N -0.788 113.936 114.554 0.283 0.000 2.770 129 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 129 T C 1.768 176.577 174.700 0.180 0.000 1.039 129 T CA 1.030 63.260 62.100 0.216 0.000 1.142 129 T CB -0.565 68.440 68.868 0.229 0.000 0.868 129 T HN -0.034 nan 8.240 nan 0.000 0.435 130 M N 1.313 121.064 119.600 0.251 0.000 2.213 130 M HA 0.053 4.533 4.480 -0.000 0.000 0.263 130 M C 2.639 179.080 176.300 0.234 0.000 1.062 130 M CA 1.039 56.449 55.300 0.183 0.000 1.105 130 M CB -1.259 31.474 32.600 0.222 0.000 1.385 130 M HN 0.314 nan 8.290 nan 0.000 0.417 131 A N -0.836 122.162 122.820 0.297 0.000 1.969 131 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 131 A C 2.076 179.798 177.584 0.231 0.000 1.169 131 A CA 1.618 53.764 52.037 0.181 0.000 0.635 131 A CB -0.654 18.229 19.000 -0.195 0.000 0.810 131 A HN 0.604 nan 8.150 nan 0.000 0.445 132 Q N -0.473 119.454 119.800 0.211 0.000 2.079 132 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 132 Q C 2.022 178.095 176.000 0.122 0.000 0.974 132 Q CA 1.537 57.434 55.803 0.155 0.000 0.840 132 Q CB -0.506 28.299 28.738 0.111 0.000 0.898 132 Q HN 0.553 nan 8.270 nan 0.000 0.430 133 G N 0.045 108.902 108.800 0.094 0.000 2.421 133 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 133 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 133 G C 1.396 176.363 174.900 0.112 0.000 1.171 133 G CA 1.069 46.203 45.100 0.057 0.000 0.775 133 G HN 0.303 nan 8.290 nan 0.000 0.543 134 V N 0.795 120.792 119.914 0.139 0.000 2.490 134 V HA -0.123 3.997 4.120 -0.000 0.000 0.250 134 V C 2.653 178.913 176.094 0.277 0.000 1.061 134 V CA 1.541 63.966 62.300 0.209 0.000 1.064 134 V CB -0.429 31.532 31.823 0.230 0.000 0.670 134 V HN 0.348 nan 8.190 nan 0.000 0.461 135 L N 0.573 121.933 121.223 0.229 0.000 2.027 135 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 135 L C 2.329 179.286 176.870 0.144 0.000 1.074 135 L CA 1.942 56.898 54.840 0.192 0.000 0.745 135 L CB -0.736 41.432 42.059 0.181 0.000 0.898 135 L HN 0.338 nan 8.230 nan 0.000 0.433 136 E N -1.814 118.466 120.200 0.132 0.000 2.268 136 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 136 E C 1.884 178.565 176.600 0.135 0.000 0.995 136 E CA 1.293 57.753 56.400 0.101 0.000 0.836 136 E CB -0.260 29.486 29.700 0.077 0.000 0.763 136 E HN 0.694 nan 8.360 nan 0.000 0.491 137 Y N 1.398 121.734 120.300 0.060 0.000 2.243 137 Y HA -0.081 4.469 4.550 -0.000 0.000 0.293 137 Y C 1.838 177.799 175.900 0.101 0.000 1.124 137 Y CA 1.266 59.414 58.100 0.080 0.000 1.159 137 Y CB 0.259 38.745 38.460 0.043 0.000 1.008 137 Y HN -0.225 nan 8.280 nan 0.000 0.527 138 K N 0.074 120.483 120.400 0.014 0.000 2.288 138 K HA -0.130 4.190 4.320 -0.000 0.000 0.201 138 K C 1.171 177.724 176.600 -0.078 0.000 1.048 138 K CA 1.064 57.307 56.287 -0.073 0.000 0.956 138 K CB -0.050 32.490 32.500 0.067 0.000 0.746 138 K HN 0.383 nan 8.250 nan 0.000 0.461 139 D N 0.104 120.483 120.400 -0.035 0.000 2.371 139 D HA -0.046 4.594 4.640 -0.000 0.000 0.221 139 D C 0.822 177.070 176.300 -0.087 0.000 0.986 139 D CA 0.956 54.932 54.000 -0.040 0.000 0.899 139 D CB 0.537 41.333 40.800 -0.007 0.000 0.902 139 D HN 0.245 nan 8.370 nan 0.000 0.530 140 T N -1.443 113.027 114.554 -0.140 0.000 3.216 140 T HA 0.031 4.381 4.350 -0.000 0.000 0.167 140 T C 1.484 176.007 174.700 -0.295 0.000 0.905 140 T CA -0.328 61.641 62.100 -0.218 0.000 1.042 140 T CB -0.591 68.163 68.868 -0.190 0.000 1.787 140 T HN -0.094 nan 8.240 nan 0.000 0.355 141 Y N 2.195 122.295 120.300 -0.334 0.000 2.421 141 Y HA 0.177 4.727 4.550 -0.000 0.000 0.292 141 Y C 2.213 177.932 175.900 -0.301 0.000 1.136 141 Y CA 0.892 58.806 58.100 -0.309 0.000 1.255 141 Y CB -0.807 37.457 38.460 -0.327 0.000 0.991 141 Y HN 0.735 nan 8.280 nan 0.000 0.552 142 G N 0.096 108.743 108.800 -0.255 0.000 2.889 142 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.308 142 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.308 142 G C -0.490 174.354 174.900 -0.093 0.000 1.248 142 G CA 0.488 45.494 45.100 -0.156 0.000 0.982 142 G HN 0.263 nan 8.290 nan 0.000 0.571 143 D N 2.683 123.069 120.400 -0.023 0.000 2.646 143 D HA 0.564 5.204 4.640 -0.000 0.000 0.245 143 D C -1.097 175.237 176.300 0.056 0.000 1.099 143 D CA 0.243 54.258 54.000 0.025 0.000 0.849 143 D CB 1.973 42.769 40.800 -0.006 0.000 1.448 143 D HN 0.764 nan 8.370 nan 0.000 0.489 144 D N 0.513 120.965 120.400 0.087 0.000 2.871 144 D HA 0.142 4.782 4.640 -0.000 0.000 0.209 144 D C -2.582 173.763 176.300 0.076 0.000 1.292 144 D CA -1.423 52.622 54.000 0.074 0.000 0.869 144 D CB 2.316 43.160 40.800 0.074 0.000 1.663 144 D HN -0.127 nan 8.370 nan 0.000 0.557 145 P HA -0.172 nan 4.420 nan 0.000 0.216 145 P C 1.636 178.967 177.300 0.051 0.000 1.150 145 P CA 0.580 63.718 63.100 0.063 0.000 0.843 145 P CB 0.436 32.168 31.700 0.054 0.000 0.787 146 V N -0.881 119.054 119.914 0.035 0.000 2.427 146 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 146 V C 2.128 178.232 176.094 0.017 0.000 1.051 146 V CA 2.417 64.725 62.300 0.014 0.000 1.048 146 V CB -0.936 30.886 31.823 -0.002 0.000 0.666 146 V HN 0.098 nan 8.190 nan 0.000 0.456 147 S N 0.450 116.172 115.700 0.037 0.000 2.377 147 S HA -0.104 4.365 4.470 -0.000 0.000 0.223 147 S C 1.727 176.352 174.600 0.042 0.000 1.030 147 S CA 1.310 59.526 58.200 0.027 0.000 0.970 147 S CB -0.439 62.814 63.200 0.089 0.000 0.830 147 S HN 0.664 nan 8.310 nan 0.000 0.473 148 N N 1.740 120.494 118.700 0.091 0.000 2.069 148 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 148 N C 1.760 177.338 175.510 0.114 0.000 1.031 148 N CA 0.984 54.102 53.050 0.113 0.000 0.852 148 N CB -0.456 38.102 38.487 0.119 0.000 1.018 148 N HN 0.360 nan 8.380 nan 0.000 0.423 149 Q N 0.598 120.454 119.800 0.094 0.000 2.050 149 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 149 Q C 1.090 177.159 176.000 0.115 0.000 0.980 149 Q CA 1.262 57.124 55.803 0.097 0.000 0.840 149 Q CB -0.123 28.645 28.738 0.051 0.000 0.898 149 Q HN 0.320 nan 8.270 nan 0.000 0.424 150 N N 0.550 119.302 118.700 0.086 0.000 2.120 150 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 150 N C 1.876 177.532 175.510 0.243 0.000 1.024 150 N CA 1.189 54.328 53.050 0.148 0.000 0.852 150 N CB -0.341 38.237 38.487 0.151 0.000 1.003 150 N HN 0.293 nan 8.380 nan 0.000 0.424 151 I N 0.439 121.086 120.570 0.128 0.000 2.179 151 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 151 I C 2.454 178.682 176.117 0.185 0.000 1.088 151 I CA 1.041 62.403 61.300 0.104 0.000 1.357 151 I CB -0.241 37.748 38.000 -0.018 0.000 1.051 151 I HN 0.099 nan 8.210 nan 0.000 0.409 152 Q N 0.473 120.394 119.800 0.202 0.000 2.061 152 Q HA -0.290 4.050 4.340 -0.000 0.000 0.204 152 Q C 2.207 178.337 176.000 0.216 0.000 0.984 152 Q CA 2.026 57.982 55.803 0.255 0.000 0.846 152 Q CB -0.575 28.323 28.738 0.268 0.000 0.902 152 Q HN 0.560 nan 8.270 nan 0.000 0.421 153 Y N -0.245 120.110 120.300 0.091 0.000 2.165 153 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 153 Y C 1.853 177.780 175.900 0.046 0.000 1.155 153 Y CA 1.964 60.077 58.100 0.021 0.000 1.164 153 Y CB -0.490 37.925 38.460 -0.076 0.000 0.978 153 Y HN 0.325 nan 8.280 nan 0.000 0.513 154 F N -0.161 119.834 119.950 0.076 0.000 2.146 154 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 154 F C 1.825 177.535 175.800 -0.151 0.000 1.096 154 F CA 1.608 59.631 58.000 0.038 0.000 1.275 154 F CB -0.469 38.606 39.000 0.125 0.000 1.008 154 F HN 0.030 nan 8.300 nan 0.000 0.480 155 L N 0.020 121.050 121.223 -0.322 0.000 2.109 155 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 155 L C 2.087 178.647 176.870 -0.516 0.000 1.086 155 L CA 1.193 55.615 54.840 -0.696 0.000 0.760 155 L CB -0.739 40.749 42.059 -0.952 0.000 0.910 155 L HN 0.093 nan 8.230 nan 0.000 0.437 156 D N -0.003 120.270 120.400 -0.210 0.000 2.144 156 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 156 D C 2.330 178.519 176.300 -0.185 0.000 0.984 156 D CA 1.133 55.111 54.000 -0.037 0.000 0.834 156 D CB 0.024 40.826 40.800 0.002 0.000 0.955 156 D HN 0.260 nan 8.370 nan 0.000 0.465 157 R N -0.575 119.721 120.500 -0.340 0.000 2.062 157 R HA -0.037 4.303 4.340 -0.000 0.000 0.229 157 R C 2.278 178.365 176.300 -0.355 0.000 1.128 157 R CA 0.597 56.492 56.100 -0.342 0.000 0.960 157 R CB -0.463 29.599 30.300 -0.396 0.000 0.855 157 R HN 0.149 nan 8.270 nan 0.000 0.432 158 F N 0.394 119.894 119.950 -0.751 0.000 2.102 158 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 158 F C 1.665 177.210 175.800 -0.426 0.000 1.105 158 F CA 1.455 58.994 58.000 -0.768 0.000 1.239 158 F CB -0.193 37.984 39.000 -1.372 0.000 0.991 158 F HN -0.049 nan 8.300 nan 0.000 0.474 159 Y N 0.108 120.223 120.300 -0.307 0.000 2.242 159 Y HA -0.126 4.424 4.550 -0.000 0.000 0.291 159 Y C 2.464 178.131 175.900 -0.388 0.000 1.137 159 Y CA 1.034 58.950 58.100 -0.307 0.000 1.181 159 Y CB -1.040 37.345 38.460 -0.125 0.000 0.989 159 Y HN 0.120 nan 8.280 nan 0.000 0.527 160 L N -1.281 119.830 121.223 -0.187 0.000 2.093 160 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 160 L C 2.689 179.371 176.870 -0.314 0.000 1.085 160 L CA 1.492 56.174 54.840 -0.263 0.000 0.755 160 L CB -0.428 41.535 42.059 -0.160 0.000 0.904 160 L HN 0.204 nan 8.230 nan 0.000 0.435 161 S N -0.246 115.285 115.700 -0.282 0.000 2.356 161 S HA -0.275 4.195 4.470 -0.000 0.000 0.223 161 S C 2.209 176.642 174.600 -0.277 0.000 1.032 161 S CA 1.582 59.636 58.200 -0.242 0.000 1.005 161 S CB -0.230 62.835 63.200 -0.224 0.000 0.867 161 S HN 0.380 nan 8.310 nan 0.000 0.449 162 R N 0.355 120.637 120.500 -0.364 0.000 2.083 162 R HA -0.058 4.282 4.340 -0.000 0.000 0.237 162 R C 2.296 178.429 176.300 -0.277 0.000 1.137 162 R CA 1.925 57.856 56.100 -0.282 0.000 0.951 162 R CB -0.589 29.557 30.300 -0.257 0.000 0.851 162 R HN 0.534 nan 8.270 nan 0.000 0.434 163 I N 1.133 121.463 120.570 -0.400 0.000 2.194 163 I HA -0.342 3.828 4.170 -0.000 0.000 0.246 163 I C 2.595 178.385 176.117 -0.545 0.000 1.093 163 I CA 1.855 62.829 61.300 -0.543 0.000 1.355 163 I CB -0.338 37.122 38.000 -0.899 0.000 1.046 163 I HN 0.380 nan 8.210 nan 0.000 0.413 164 S N 0.964 116.340 115.700 -0.541 0.000 2.371 164 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 164 S C 1.989 176.541 174.600 -0.079 0.000 1.029 164 S CA 0.793 58.835 58.200 -0.264 0.000 0.978 164 S CB -0.713 62.453 63.200 -0.057 0.000 0.833 164 S HN 0.422 nan 8.310 nan 0.000 0.466 165 I N 1.362 121.857 120.570 -0.126 0.000 2.315 165 I HA -0.053 4.117 4.170 -0.000 0.000 0.248 165 I C 3.052 179.102 176.117 -0.110 0.000 1.117 165 I CA 1.263 62.495 61.300 -0.113 0.000 1.404 165 I CB -0.310 37.590 38.000 -0.168 0.000 1.071 165 I HN 0.262 nan 8.210 nan 0.000 0.419 166 R N 0.412 120.839 120.500 -0.122 0.000 2.148 166 R HA -0.174 4.166 4.340 -0.000 0.000 0.227 166 R C 2.264 178.551 176.300 -0.022 0.000 1.103 166 R CA 1.219 57.270 56.100 -0.080 0.000 0.983 166 R CB -0.083 30.177 30.300 -0.068 0.000 0.874 166 R HN 0.191 nan 8.270 nan 0.000 0.451 167 M N 0.440 120.037 119.600 -0.006 0.000 2.067 167 M HA -0.121 4.359 4.480 -0.000 0.000 0.260 167 M C 1.688 178.022 176.300 0.056 0.000 1.069 167 M CA 1.723 57.052 55.300 0.048 0.000 1.117 167 M CB -0.179 32.505 32.600 0.140 0.000 1.334 167 M HN 0.150 nan 8.290 nan 0.000 0.407 168 L N -0.702 120.593 121.223 0.120 0.000 2.017 168 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 168 L C 2.441 179.393 176.870 0.136 0.000 1.073 168 L CA 1.368 56.324 54.840 0.193 0.000 0.745 168 L CB -0.847 41.323 42.059 0.184 0.000 0.894 168 L HN 0.350 nan 8.230 nan 0.000 0.432 169 I N -0.019 120.570 120.570 0.033 0.000 2.226 169 I HA -0.294 3.875 4.170 -0.000 0.000 0.245 169 I C 2.256 178.405 176.117 0.054 0.000 1.100 169 I CA 1.156 62.452 61.300 -0.007 0.000 1.374 169 I CB -0.409 37.529 38.000 -0.103 0.000 1.057 169 I HN 0.345 nan 8.210 nan 0.000 0.413 170 N N 0.262 118.985 118.700 0.038 0.000 2.188 170 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 170 N C 1.892 177.435 175.510 0.055 0.000 1.018 170 N CA 0.978 54.050 53.050 0.036 0.000 0.858 170 N CB -0.177 38.322 38.487 0.020 0.000 0.989 170 N HN 0.337 nan 8.380 nan 0.000 0.426 171 Q N 0.167 120.013 119.800 0.076 0.000 2.020 171 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 171 Q C 1.893 178.008 176.000 0.191 0.000 0.982 171 Q CA 1.349 57.216 55.803 0.106 0.000 0.838 171 Q CB -0.753 28.077 28.738 0.152 0.000 0.899 171 Q HN 0.568 nan 8.270 nan 0.000 0.423 172 H N 0.342 119.535 119.070 0.206 0.000 2.267 172 H HA -0.128 4.428 4.556 -0.000 0.000 0.297 172 H C 2.197 177.691 175.328 0.277 0.000 1.080 172 H CA 3.112 59.376 56.048 0.360 0.000 1.278 172 H CB -0.105 29.845 29.762 0.313 0.000 1.365 172 H HN 0.415 nan 8.280 nan 0.000 0.489 173 T N -1.094 113.625 114.554 0.276 0.000 2.708 173 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 173 T C 2.265 177.003 174.700 0.063 0.000 1.037 173 T CA 1.598 63.794 62.100 0.159 0.000 1.146 173 T CB -0.793 68.128 68.868 0.089 0.000 0.865 173 T HN 0.289 nan 8.240 nan 0.000 0.435 174 L N 0.239 121.479 121.223 0.028 0.000 2.042 174 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 174 L C 2.806 179.623 176.870 -0.089 0.000 1.076 174 L CA 1.515 56.344 54.840 -0.019 0.000 0.749 174 L CB -0.534 41.517 42.059 -0.014 0.000 0.893 174 L HN 0.295 nan 8.230 nan 0.000 0.432 175 I N -1.697 118.759 120.570 -0.190 0.000 2.233 175 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 175 I C 1.357 177.163 176.117 -0.519 0.000 1.093 175 I CA 1.330 62.344 61.300 -0.477 0.000 1.380 175 I CB -0.017 37.470 38.000 -0.856 0.000 1.067 175 I HN 0.093 nan 8.210 nan 0.000 0.413 176 F N -0.162 119.758 119.950 -0.050 0.000 2.653 176 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 176 F C 0.233 176.030 175.800 -0.006 0.000 1.092 176 F CA -0.652 57.314 58.000 -0.057 0.000 1.279 176 F CB -0.024 38.870 39.000 -0.177 0.000 1.044 176 F HN -0.026 nan 8.300 nan 0.000 0.564 177 D N -0.745 119.724 120.400 0.116 0.000 2.879 177 D HA 0.487 5.127 4.640 -0.000 0.000 0.236 177 D C 0.225 176.548 176.300 0.039 0.000 1.171 177 D CA -0.316 53.737 54.000 0.089 0.000 0.868 177 D CB 1.757 42.613 40.800 0.093 0.000 1.598 177 D HN 0.175 nan 8.370 nan 0.000 0.497 178 G N 2.629 111.447 108.800 0.031 0.000 2.438 178 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.272 178 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.272 178 G C 0.948 175.848 174.900 -0.001 0.000 0.991 178 G CA 0.655 45.761 45.100 0.010 0.000 1.348 178 G HN 0.916 nan 8.290 nan 0.000 0.483 179 S N -0.033 115.667 115.700 0.000 0.000 2.368 179 S HA -0.026 4.444 4.470 -0.000 0.000 0.224 179 S C 1.417 176.007 174.600 -0.017 0.000 1.029 179 S CA 1.608 59.802 58.200 -0.009 0.000 0.988 179 S CB -0.131 63.066 63.200 -0.004 0.000 0.838 179 S HN 1.002 nan 8.310 nan 0.000 0.462 180 T N 3.727 118.272 114.554 -0.015 0.000 2.940 180 T HA 0.189 4.538 4.350 -0.000 0.000 0.309 180 T C -0.294 174.390 174.700 -0.026 0.000 1.056 180 T CA -0.040 62.048 62.100 -0.020 0.000 1.137 180 T CB 0.014 68.871 68.868 -0.018 0.000 0.976 180 T HN 0.384 nan 8.240 nan 0.000 0.547 181 N N 4.271 122.951 118.700 -0.033 0.000 2.420 181 N HA 0.372 5.112 4.740 -0.000 0.000 0.249 181 N C -1.561 173.916 175.510 -0.054 0.000 1.033 181 N CA -1.104 51.921 53.050 -0.043 0.000 0.944 181 N CB 0.811 39.269 38.487 -0.048 0.000 1.113 181 N HN 0.491 nan 8.380 nan 0.000 0.502 182 P HA 0.626 nan 4.420 nan 0.000 0.323 182 P C -0.068 177.182 177.300 -0.084 0.000 1.363 182 P CA -0.260 62.799 63.100 -0.070 0.000 0.851 182 P CB -0.083 31.588 31.700 -0.049 0.000 2.110 183 A N -0.959 121.827 122.820 -0.057 0.000 5.823 183 A HA -0.246 4.074 4.320 -0.000 0.000 0.273 183 A C 1.160 178.749 177.584 0.008 0.000 2.094 183 A CA 1.769 53.811 52.037 0.008 0.000 0.713 183 A CB -2.365 16.629 19.000 -0.011 0.000 1.132 183 A HN 0.724 nan 8.150 nan 0.000 0.363 184 H N 0.541 119.478 119.070 -0.223 0.000 2.570 184 H HA 0.491 5.047 4.556 -0.000 0.000 0.268 184 H C -1.911 173.339 175.328 -0.130 0.000 1.175 184 H CA 1.303 57.209 56.048 -0.236 0.000 1.686 184 H CB 0.082 29.570 29.762 -0.457 0.000 1.456 184 H HN 0.773 nan 8.280 nan 0.000 0.592 185 P HA 0.233 nan 4.420 nan 0.000 0.252 185 P C -0.697 176.642 177.300 0.065 0.000 1.312 185 P CA -0.242 62.887 63.100 0.048 0.000 1.194 185 P CB 1.347 33.052 31.700 0.008 0.000 2.375 186 K N -0.282 120.185 120.400 0.113 0.000 2.519 186 K HA -0.039 4.281 4.320 -0.000 0.000 0.196 186 K C 0.221 176.928 176.600 0.178 0.000 1.041 186 K CA 0.635 56.997 56.287 0.124 0.000 0.954 186 K CB -0.164 32.408 32.500 0.121 0.000 0.774 186 K HN 0.534 nan 8.250 nan 0.000 0.480 187 H N 0.331 119.367 119.070 -0.057 0.000 2.629 187 H HA 0.121 4.677 4.556 -0.000 0.000 0.357 187 H C 0.339 175.621 175.328 -0.075 0.000 1.121 187 H CA -0.512 55.478 56.048 -0.096 0.000 1.406 187 H CB 0.612 30.283 29.762 -0.152 0.000 1.456 187 H HN -0.129 nan 8.280 nan 0.000 0.579 188 I N 3.189 123.768 120.570 0.015 0.000 2.317 188 I HA 0.220 4.390 4.170 -0.000 0.000 0.286 188 I C 1.446 177.557 176.117 -0.010 0.000 1.119 188 I CA 0.379 61.675 61.300 -0.007 0.000 1.228 188 I CB -0.673 37.323 38.000 -0.007 0.000 1.476 188 I HN 0.916 nan 8.210 nan 0.000 0.514 189 G N 5.275 114.068 108.800 -0.012 0.000 2.552 189 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.267 189 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.267 189 G C 0.680 175.579 174.900 -0.001 0.000 1.174 189 G CA 0.453 45.541 45.100 -0.020 0.000 0.955 189 G HN 0.596 nan 8.290 nan 0.000 0.546 190 S N 0.052 115.723 115.700 -0.048 0.000 2.540 190 S HA 0.550 5.019 4.470 -0.000 0.000 0.218 190 S C 0.885 175.412 174.600 -0.122 0.000 0.977 190 S CA 0.418 58.595 58.200 -0.039 0.000 0.918 190 S CB 0.100 63.259 63.200 -0.068 0.000 0.806 190 S HN 0.690 nan 8.310 nan 0.000 0.496 191 I N 2.680 123.139 120.570 -0.185 0.000 2.342 191 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 191 I C -0.479 175.400 176.117 -0.397 0.000 1.010 191 I CA -0.521 60.605 61.300 -0.290 0.000 1.308 191 I CB 1.006 38.851 38.000 -0.259 0.000 1.400 191 I HN 0.049 nan 8.210 nan 0.000 0.488 192 D N 9.358 129.427 120.400 -0.550 0.000 2.359 192 D HA 0.224 4.864 4.640 -0.000 0.000 0.230 192 D C -1.603 174.515 176.300 -0.302 0.000 1.118 192 D CA -2.292 51.306 54.000 -0.669 0.000 0.844 192 D CB 1.813 42.145 40.800 -0.780 0.000 1.059 192 D HN 0.222 nan 8.370 nan 0.000 0.493 193 P HA -0.048 nan 4.420 nan 0.000 0.223 193 P C -0.173 177.068 177.300 -0.099 0.000 1.151 193 P CA 0.600 63.627 63.100 -0.121 0.000 0.787 193 P CB 0.412 32.061 31.700 -0.085 0.000 0.788 194 N N -0.716 117.901 118.700 -0.138 0.000 2.813 194 N HA 0.176 4.916 4.740 -0.000 0.000 0.282 194 N C -1.082 174.288 175.510 -0.234 0.000 1.748 194 N CA -0.384 52.565 53.050 -0.169 0.000 0.860 194 N CB 0.097 38.470 38.487 -0.191 0.000 1.204 194 N HN -0.017 nan 8.380 nan 0.000 0.490 195 C N 1.738 120.967 119.300 -0.119 0.000 2.442 195 C HA 0.318 4.778 4.460 -0.000 0.000 0.362 195 C C 1.067 176.092 174.990 0.059 0.000 1.242 195 C CA -0.440 58.544 59.018 -0.057 0.000 1.741 195 C CB -1.030 26.708 27.740 -0.004 0.000 2.378 195 C HN 0.535 nan 8.230 nan 0.000 0.549 196 S N 5.171 120.909 115.700 0.063 0.000 2.437 196 S HA 0.111 4.581 4.470 -0.000 0.000 0.304 196 S C 1.124 175.836 174.600 0.187 0.000 1.167 196 S CA -0.420 57.952 58.200 0.287 0.000 1.106 196 S CB 0.330 63.652 63.200 0.203 0.000 1.099 196 S HN 0.778 nan 8.310 nan 0.000 0.524 197 V N 5.343 125.357 119.914 0.167 0.000 2.252 197 V HA -0.169 3.951 4.120 -0.000 0.000 0.249 197 V C 2.791 178.939 176.094 0.089 0.000 1.056 197 V CA 2.360 64.714 62.300 0.089 0.000 1.022 197 V CB -1.400 30.444 31.823 0.036 0.000 0.641 197 V HN 0.953 nan 8.190 nan 0.000 0.445 198 S N 0.065 115.812 115.700 0.079 0.000 2.359 198 S HA -0.308 4.162 4.470 -0.000 0.000 0.223 198 S C 1.789 176.448 174.600 0.098 0.000 1.039 198 S CA 2.238 60.481 58.200 0.071 0.000 1.042 198 S CB -0.608 62.620 63.200 0.046 0.000 0.915 198 S HN 0.664 nan 8.310 nan 0.000 0.439 199 D N 0.806 121.273 120.400 0.112 0.000 2.123 199 D HA -0.083 4.557 4.640 -0.000 0.000 0.196 199 D C 2.176 178.567 176.300 0.150 0.000 0.992 199 D CA 1.457 55.529 54.000 0.119 0.000 0.833 199 D CB -0.814 40.055 40.800 0.115 0.000 0.954 199 D HN 0.380 nan 8.370 nan 0.000 0.455 200 V N 0.902 120.914 119.914 0.164 0.000 2.332 200 V HA -0.229 3.890 4.120 -0.000 0.000 0.248 200 V C 2.711 178.947 176.094 0.236 0.000 1.055 200 V CA 1.124 63.554 62.300 0.217 0.000 1.038 200 V CB -0.620 31.324 31.823 0.202 0.000 0.651 200 V HN 0.060 nan 8.190 nan 0.000 0.450 201 V N -0.082 119.952 119.914 0.201 0.000 2.287 201 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 201 V C 2.461 178.726 176.094 0.285 0.000 1.053 201 V CA 2.161 64.622 62.300 0.269 0.000 1.027 201 V CB -0.799 31.144 31.823 0.200 0.000 0.646 201 V HN 0.550 nan 8.190 nan 0.000 0.447 202 K N -0.251 120.255 120.400 0.177 0.000 2.026 202 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 202 K C 1.976 178.685 176.600 0.182 0.000 1.048 202 K CA 1.667 58.035 56.287 0.135 0.000 0.929 202 K CB -0.415 32.137 32.500 0.087 0.000 0.713 202 K HN 0.435 nan 8.250 nan 0.000 0.439 203 D N 0.953 121.473 120.400 0.199 0.000 2.092 203 D HA -0.157 4.483 4.640 -0.000 0.000 0.193 203 D C 1.912 178.372 176.300 0.266 0.000 0.994 203 D CA 1.525 55.665 54.000 0.234 0.000 0.828 203 D CB -0.275 40.688 40.800 0.273 0.000 0.963 203 D HN 0.201 nan 8.370 nan 0.000 0.450 204 A N 0.085 123.051 122.820 0.244 0.000 1.908 204 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 204 A C 2.219 179.877 177.584 0.123 0.000 1.181 204 A CA 1.511 53.591 52.037 0.072 0.000 0.627 204 A CB -1.108 17.953 19.000 0.101 0.000 0.818 204 A HN 0.400 nan 8.150 nan 0.000 0.445 205 Y N 1.018 121.187 120.300 -0.219 0.000 2.242 205 Y HA -0.197 4.353 4.550 -0.000 0.000 0.291 205 Y C 1.834 177.556 175.900 -0.297 0.000 1.137 205 Y CA 1.878 59.538 58.100 -0.732 0.000 1.181 205 Y CB -0.099 37.836 38.460 -0.875 0.000 0.989 205 Y HN 0.344 nan 8.280 nan 0.000 0.527 206 D N -0.150 120.206 120.400 -0.073 0.000 2.097 206 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 206 D C 2.175 178.420 176.300 -0.091 0.000 0.989 206 D CA 1.391 55.343 54.000 -0.081 0.000 0.827 206 D CB -0.221 40.612 40.800 0.054 0.000 0.966 206 D HN 0.335 nan 8.370 nan 0.000 0.456 207 M N 0.722 120.335 119.600 0.022 0.000 2.117 207 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 207 M C 2.256 178.643 176.300 0.145 0.000 1.065 207 M CA 0.880 56.236 55.300 0.094 0.000 1.114 207 M CB -1.065 31.600 32.600 0.108 0.000 1.361 207 M HN -0.034 nan 8.290 nan 0.000 0.408 208 A N -0.357 122.527 122.820 0.107 0.000 1.898 208 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 208 A C 2.273 179.748 177.584 -0.181 0.000 1.181 208 A CA 1.889 53.914 52.037 -0.019 0.000 0.620 208 A CB -0.649 18.289 19.000 -0.103 0.000 0.819 208 A HN 0.511 nan 8.150 nan 0.000 0.442 209 K N -0.585 119.566 120.400 -0.414 0.000 2.147 209 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 209 K C 1.860 178.350 176.600 -0.183 0.000 1.049 209 K CA 1.480 57.516 56.287 -0.419 0.000 0.936 209 K CB -0.265 31.780 32.500 -0.759 0.000 0.722 209 K HN 0.359 nan 8.250 nan 0.000 0.446 210 L N 1.443 122.594 121.223 -0.120 0.000 2.005 210 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 210 L C 1.918 178.789 176.870 0.002 0.000 1.072 210 L CA 1.576 56.393 54.840 -0.038 0.000 0.744 210 L CB -0.573 41.480 42.059 -0.011 0.000 0.895 210 L HN 0.194 nan 8.230 nan 0.000 0.433 211 L N -0.909 120.326 121.223 0.021 0.000 2.042 211 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 211 L C 2.888 179.785 176.870 0.045 0.000 1.076 211 L CA 1.563 56.423 54.840 0.033 0.000 0.749 211 L CB -1.032 41.043 42.059 0.026 0.000 0.893 211 L HN 0.567 nan 8.230 nan 0.000 0.432 212 C N 0.329 119.654 119.300 0.043 0.000 2.446 212 C HA -0.188 4.272 4.460 -0.000 0.000 0.277 212 C C 2.320 177.408 174.990 0.163 0.000 1.275 212 C CA 1.247 60.355 59.018 0.150 0.000 1.727 212 C CB -0.689 27.108 27.740 0.094 0.000 2.010 212 C HN 0.539 nan 8.230 nan 0.000 0.486 213 D N -0.443 119.996 120.400 0.065 0.000 2.351 213 D HA -0.059 4.581 4.640 -0.000 0.000 0.216 213 D C 2.074 178.409 176.300 0.059 0.000 0.968 213 D CA 1.009 55.040 54.000 0.052 0.000 0.899 213 D CB 0.056 40.858 40.800 0.004 0.000 0.907 213 D HN 0.598 nan 8.370 nan 0.000 0.514 214 K N -1.751 118.691 120.400 0.070 0.000 2.440 214 K HA 0.054 4.374 4.320 -0.000 0.000 0.207 214 K C 0.417 177.048 176.600 0.051 0.000 1.112 214 K CA -0.105 56.212 56.287 0.051 0.000 1.036 214 K CB 0.757 33.285 32.500 0.046 0.000 0.935 214 K HN 0.150 nan 8.250 nan 0.000 0.564 215 Y N -0.987 119.247 120.300 -0.109 0.000 2.445 215 Y HA 0.156 4.705 4.550 -0.000 0.000 0.247 215 Y C 0.558 176.185 175.900 -0.456 0.000 1.129 215 Y CA 0.336 58.270 58.100 -0.277 0.000 1.251 215 Y CB 0.750 39.000 38.460 -0.350 0.000 1.176 215 Y HN -0.023 nan 8.280 nan 0.000 0.522 216 Y N -2.444 117.910 120.300 0.089 0.000 2.515 216 Y HA 0.156 4.706 4.550 -0.000 0.000 0.267 216 Y C 0.632 176.536 175.900 0.007 0.000 1.058 216 Y CA -0.205 57.918 58.100 0.038 0.000 1.231 216 Y CB 0.456 38.951 38.460 0.058 0.000 1.350 216 Y HN -0.114 nan 8.280 nan 0.000 0.554 217 M N -0.021 119.659 119.600 0.135 0.000 2.612 217 M HA -0.252 4.228 4.480 -0.000 0.000 0.194 217 M C -0.415 175.929 176.300 0.073 0.000 0.530 217 M CA 1.301 56.646 55.300 0.075 0.000 0.548 217 M CB -1.620 31.003 32.600 0.039 0.000 2.013 217 M HN 0.253 nan 8.290 nan 0.000 0.711 218 A N -0.729 122.150 122.820 0.099 0.000 2.566 218 A HA 0.874 5.194 4.320 -0.000 0.000 0.297 218 A C -0.102 177.500 177.584 0.031 0.000 1.059 218 A CA 0.022 52.087 52.037 0.045 0.000 0.691 218 A CB 1.579 20.593 19.000 0.024 0.000 1.282 218 A HN 0.843 nan 8.150 nan 0.000 0.401 219 S N 1.764 117.461 115.700 -0.006 0.000 2.541 219 S HA 0.910 5.380 4.470 -0.000 0.000 0.271 219 S C -3.313 171.270 174.600 -0.029 0.000 1.133 219 S CA -1.163 57.020 58.200 -0.029 0.000 0.876 219 S CB 2.061 65.230 63.200 -0.051 0.000 1.105 219 S HN 0.629 nan 8.310 nan 0.000 0.470 220 P HA 0.406 nan 4.420 nan 0.000 0.281 220 P C -0.830 176.527 177.300 0.095 0.000 1.249 220 P CA -0.235 62.861 63.100 -0.006 0.000 0.810 220 P CB 0.418 32.100 31.700 -0.030 0.000 1.008 221 D N 0.447 120.887 120.400 0.066 0.000 2.369 221 D HA 0.181 4.821 4.640 -0.000 0.000 0.241 221 D C -0.014 176.287 176.300 0.001 0.000 1.271 221 D CA 0.230 54.280 54.000 0.085 0.000 0.942 221 D CB 0.464 41.264 40.800 0.001 0.000 1.129 221 D HN 0.183 nan 8.370 nan 0.000 0.476 222 L N -0.093 120.958 121.223 -0.287 0.000 2.334 222 L HA 0.333 4.673 4.340 -0.000 0.000 0.276 222 L C -0.732 175.980 176.870 -0.263 0.000 1.014 222 L CA -0.282 54.261 54.840 -0.494 0.000 0.815 222 L CB 1.548 42.816 42.059 -1.318 0.000 1.268 222 L HN 0.245 nan 8.230 nan 0.000 0.428 223 E N 5.486 125.594 120.200 -0.155 0.000 2.234 223 E HA 0.541 4.891 4.350 -0.000 0.000 0.266 223 E C -1.213 175.346 176.600 -0.070 0.000 0.877 223 E CA -0.504 55.838 56.400 -0.098 0.000 0.758 223 E CB 2.385 32.050 29.700 -0.057 0.000 1.170 223 E HN 0.498 nan 8.360 nan 0.000 0.415 224 I N 1.661 122.193 120.570 -0.062 0.000 2.693 224 I HA 0.411 4.581 4.170 -0.000 0.000 0.303 224 I C -0.363 175.738 176.117 -0.026 0.000 1.025 224 I CA -0.803 60.476 61.300 -0.035 0.000 1.086 224 I CB 2.003 39.985 38.000 -0.030 0.000 1.268 224 I HN 0.398 nan 8.210 nan 0.000 0.440 225 Q N 3.437 123.226 119.800 -0.018 0.000 2.320 225 Q HA 0.389 4.729 4.340 -0.000 0.000 0.272 225 Q C -1.765 174.226 176.000 -0.016 0.000 1.023 225 Q CA -0.641 55.152 55.803 -0.016 0.000 0.855 225 Q CB 2.960 31.692 28.738 -0.011 0.000 1.367 225 Q HN 0.601 nan 8.270 nan 0.000 0.406 226 E N 1.698 121.887 120.200 -0.018 0.000 2.222 226 E HA 0.507 4.857 4.350 -0.000 0.000 0.267 226 E C -1.327 175.261 176.600 -0.019 0.000 0.884 226 E CA -0.787 55.600 56.400 -0.022 0.000 0.764 226 E CB 2.587 32.267 29.700 -0.033 0.000 1.169 226 E HN 0.245 nan 8.360 nan 0.000 0.413 227 V N 3.215 123.120 119.914 -0.015 0.000 2.349 227 V HA 0.217 4.337 4.120 -0.000 0.000 0.284 227 V C -0.444 175.642 176.094 -0.013 0.000 1.014 227 V CA -0.943 61.351 62.300 -0.011 0.000 0.826 227 V CB 1.285 33.107 31.823 -0.002 0.000 1.009 227 V HN 0.532 nan 8.190 nan 0.000 0.431 228 N N 3.429 122.118 118.700 -0.019 0.000 2.457 228 N HA 0.478 5.218 4.740 -0.000 0.000 0.250 228 N C 0.643 176.146 175.510 -0.012 0.000 0.982 228 N CA 0.062 53.099 53.050 -0.020 0.000 0.941 228 N CB 2.072 40.538 38.487 -0.034 0.000 1.120 228 N HN 0.694 nan 8.380 nan 0.000 0.505 229 A N 2.252 125.069 122.820 -0.005 0.000 2.081 229 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 229 A C 1.808 179.391 177.584 -0.002 0.000 1.158 229 A CA 1.359 53.396 52.037 -0.001 0.000 0.724 229 A CB -0.475 18.527 19.000 0.004 0.000 0.826 229 A HN 0.713 nan 8.150 nan 0.000 0.463 230 T N -2.478 112.074 114.554 -0.003 0.000 2.851 230 T HA -0.009 4.341 4.350 -0.000 0.000 0.262 230 T C 0.713 175.410 174.700 -0.005 0.000 1.043 230 T CA 1.224 63.322 62.100 -0.003 0.000 1.140 230 T CB -0.297 68.570 68.868 -0.002 0.000 0.872 230 T HN 0.408 nan 8.240 nan 0.000 0.446 231 N N -0.095 118.599 118.700 -0.010 0.000 2.640 231 N HA 0.583 5.323 4.740 -0.000 0.000 0.262 231 N C 0.914 176.415 175.510 -0.016 0.000 1.174 231 N CA 0.165 53.208 53.050 -0.011 0.000 0.791 231 N CB 0.880 39.359 38.487 -0.013 0.000 1.279 231 N HN 0.223 nan 8.380 nan 0.000 0.535 232 A N 1.415 124.229 122.820 -0.011 0.000 1.929 232 A HA -0.281 4.039 4.320 -0.000 0.000 0.221 232 A C 2.137 179.711 177.584 -0.017 0.000 1.211 232 A CA 2.681 54.711 52.037 -0.012 0.000 0.657 232 A CB -0.987 18.008 19.000 -0.008 0.000 0.827 232 A HN 0.627 nan 8.150 nan 0.000 0.462 233 T N -1.797 112.747 114.554 -0.017 0.000 2.852 233 T HA -0.015 4.335 4.350 -0.000 0.000 0.256 233 T C 1.093 175.774 174.700 -0.032 0.000 1.038 233 T CA 0.958 63.046 62.100 -0.019 0.000 1.141 233 T CB -0.313 68.547 68.868 -0.013 0.000 0.869 233 T HN 0.553 nan 8.240 nan 0.000 0.439 234 Q N 2.520 122.299 119.800 -0.035 0.000 2.308 234 Q HA 0.098 4.438 4.340 -0.000 0.000 0.313 234 Q C -2.449 173.489 176.000 -0.103 0.000 1.075 234 Q CA -1.107 54.662 55.803 -0.056 0.000 0.995 234 Q CB 0.615 29.326 28.738 -0.045 0.000 1.107 234 Q HN 0.302 nan 8.270 nan 0.000 0.380 235 P HA -0.046 nan 4.420 nan 0.000 0.266 235 P C -0.828 176.210 177.300 -0.436 0.000 1.195 235 P CA 0.384 63.331 63.100 -0.255 0.000 0.768 235 P CB 0.442 31.984 31.700 -0.263 0.000 0.838 236 I N 3.777 124.149 120.570 -0.329 0.000 2.379 236 I HA 0.120 4.290 4.170 -0.000 0.000 0.290 236 I C 0.799 176.759 176.117 -0.261 0.000 1.063 236 I CA 0.390 61.547 61.300 -0.237 0.000 1.351 236 I CB -0.176 37.763 38.000 -0.101 0.000 1.410 236 I HN 0.429 nan 8.210 nan 0.000 0.505 237 H N 6.470 125.538 119.070 -0.004 0.000 2.834 237 H HA 0.811 5.367 4.556 -0.000 0.000 0.369 237 H C -0.409 174.912 175.328 -0.011 0.000 1.174 237 H CA -1.130 54.914 56.048 -0.006 0.000 1.165 237 H CB 2.201 31.961 29.762 -0.004 0.000 1.820 237 H HN 0.525 nan 8.280 nan 0.000 0.558 238 M N -0.745 118.935 119.600 0.133 0.000 2.603 238 M HA 0.461 4.941 4.480 -0.000 0.000 0.275 238 M C -1.869 174.455 176.300 0.041 0.000 1.226 238 M CA -1.148 54.189 55.300 0.062 0.000 0.870 238 M CB 1.846 34.462 32.600 0.025 0.000 1.716 238 M HN 0.251 nan 8.290 nan 0.000 0.482 239 V N 2.690 122.620 119.914 0.027 0.000 2.405 239 V HA 0.371 4.491 4.120 -0.000 0.000 0.264 239 V C -1.074 175.057 176.094 0.061 0.000 1.048 239 V CA 0.431 62.726 62.300 -0.009 0.000 0.966 239 V CB -0.544 31.256 31.823 -0.039 0.000 1.015 239 V HN 0.755 nan 8.190 nan 0.000 0.477 240 Y N 2.547 122.738 120.300 -0.183 0.000 2.725 240 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 240 Y C -0.470 175.294 175.900 -0.225 0.000 1.242 240 Y CA -1.071 56.910 58.100 -0.197 0.000 1.059 240 Y CB 2.083 40.486 38.460 -0.095 0.000 1.306 240 Y HN 0.173 nan 8.280 nan 0.000 0.454 241 V N 4.549 124.110 119.914 -0.589 0.000 2.320 241 V HA 0.175 4.294 4.120 -0.000 0.000 0.265 241 V C -2.054 174.015 176.094 -0.041 0.000 1.048 241 V CA -1.294 60.756 62.300 -0.417 0.000 0.865 241 V CB 0.707 32.048 31.823 -0.804 0.000 1.043 241 V HN 0.645 nan 8.190 nan 0.000 0.474 242 P HA -0.132 nan 4.420 nan 0.000 0.216 242 P C 1.823 179.248 177.300 0.208 0.000 1.150 242 P CA 1.298 64.485 63.100 0.146 0.000 0.843 242 P CB 0.260 32.013 31.700 0.088 0.000 0.787 243 S N -1.245 114.545 115.700 0.149 0.000 2.365 243 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 243 S C 1.770 176.538 174.600 0.281 0.000 1.039 243 S CA 1.583 59.895 58.200 0.187 0.000 1.033 243 S CB -1.201 62.097 63.200 0.162 0.000 0.887 243 S HN 0.303 nan 8.310 nan 0.000 0.447 244 H N 0.723 119.838 119.070 0.075 0.000 2.321 244 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 244 H C 2.050 177.495 175.328 0.195 0.000 1.087 244 H CA 1.182 57.249 56.048 0.031 0.000 1.319 244 H CB -0.825 29.106 29.762 0.281 0.000 1.379 244 H HN 0.193 nan 8.280 nan 0.000 0.501 245 L N -0.126 121.394 121.223 0.495 0.000 2.017 245 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 245 L C 2.242 179.273 176.870 0.268 0.000 1.073 245 L CA 1.608 56.656 54.840 0.346 0.000 0.745 245 L CB -1.025 41.208 42.059 0.290 0.000 0.894 245 L HN 0.292 nan 8.230 nan 0.000 0.432 246 Y N -0.624 119.780 120.300 0.173 0.000 2.165 246 Y HA -0.351 4.199 4.550 -0.000 0.000 0.286 246 Y C 2.807 178.811 175.900 0.175 0.000 1.155 246 Y CA 2.195 60.387 58.100 0.153 0.000 1.164 246 Y CB -0.434 38.085 38.460 0.099 0.000 0.978 246 Y HN 0.539 nan 8.280 nan 0.000 0.513 247 H N -0.327 118.873 119.070 0.216 0.000 2.319 247 H HA -0.231 4.325 4.556 -0.000 0.000 0.299 247 H C 2.110 177.467 175.328 0.049 0.000 1.092 247 H CA 2.719 58.821 56.048 0.090 0.000 1.302 247 H CB -0.218 29.399 29.762 -0.241 0.000 1.373 247 H HN 0.369 nan 8.280 nan 0.000 0.497 248 M N -0.255 119.476 119.600 0.219 0.000 2.065 248 M HA -0.175 4.305 4.480 -0.000 0.000 0.259 248 M C 2.465 178.773 176.300 0.013 0.000 1.071 248 M CA 1.668 57.066 55.300 0.163 0.000 1.109 248 M CB -0.380 32.323 32.600 0.172 0.000 1.313 248 M HN 0.288 nan 8.290 nan 0.000 0.408 249 L N -0.748 120.462 121.223 -0.022 0.000 2.012 249 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 249 L C 2.537 179.365 176.870 -0.069 0.000 1.073 249 L CA 1.350 56.110 54.840 -0.133 0.000 0.748 249 L CB -0.760 41.266 42.059 -0.054 0.000 0.891 249 L HN 0.198 nan 8.230 nan 0.000 0.431 250 F N 1.262 121.070 119.950 -0.238 0.000 2.095 250 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 250 F C 2.534 178.254 175.800 -0.134 0.000 1.104 250 F CA 2.097 59.953 58.000 -0.241 0.000 1.232 250 F CB -0.246 38.417 39.000 -0.563 0.000 0.987 250 F HN 0.060 nan 8.300 nan 0.000 0.475 251 E N 0.610 120.650 120.200 -0.266 0.000 2.077 251 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 251 E C 2.160 178.616 176.600 -0.241 0.000 0.989 251 E CA 1.803 58.008 56.400 -0.324 0.000 0.800 251 E CB -0.617 28.976 29.700 -0.178 0.000 0.746 251 E HN 0.548 nan 8.360 nan 0.000 0.452 252 L N -0.686 120.421 121.223 -0.193 0.000 2.056 252 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 252 L C 2.255 179.015 176.870 -0.183 0.000 1.078 252 L CA 0.836 55.554 54.840 -0.204 0.000 0.749 252 L CB -0.471 41.436 42.059 -0.253 0.000 0.901 252 L HN 0.106 nan 8.230 nan 0.000 0.433 253 F N 0.774 120.639 119.950 -0.143 0.000 2.120 253 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 253 F C 2.517 178.212 175.800 -0.174 0.000 1.095 253 F CA 1.400 59.329 58.000 -0.119 0.000 1.249 253 F CB -0.565 38.390 39.000 -0.074 0.000 0.995 253 F HN -0.041 nan 8.300 nan 0.000 0.480 254 K N -0.120 120.219 120.400 -0.102 0.000 2.026 254 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 254 K C 1.849 178.391 176.600 -0.096 0.000 1.048 254 K CA 1.591 57.772 56.287 -0.175 0.000 0.929 254 K CB -0.355 31.927 32.500 -0.362 0.000 0.713 254 K HN 0.192 nan 8.250 nan 0.000 0.439 255 N N 1.040 119.675 118.700 -0.108 0.000 2.069 255 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 255 N C 1.734 177.208 175.510 -0.060 0.000 1.031 255 N CA 1.602 54.601 53.050 -0.084 0.000 0.852 255 N CB -0.593 37.831 38.487 -0.106 0.000 1.018 255 N HN 0.207 nan 8.380 nan 0.000 0.423 256 A N 1.155 123.948 122.820 -0.045 0.000 1.877 256 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 256 A C 2.341 179.917 177.584 -0.014 0.000 1.186 256 A CA 1.602 53.625 52.037 -0.023 0.000 0.620 256 A CB -0.603 18.408 19.000 0.019 0.000 0.822 256 A HN 0.203 nan 8.150 nan 0.000 0.443 257 M N -1.425 118.179 119.600 0.008 0.000 2.086 257 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 257 M C 2.390 178.636 176.300 -0.091 0.000 1.067 257 M CA 2.131 57.415 55.300 -0.027 0.000 1.116 257 M CB -0.328 32.262 32.600 -0.017 0.000 1.348 257 M HN 0.543 nan 8.290 nan 0.000 0.407 258 R N 0.611 121.076 120.500 -0.057 0.000 2.097 258 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 258 R C 2.137 178.352 176.300 -0.142 0.000 1.135 258 R CA 2.153 58.201 56.100 -0.087 0.000 0.934 258 R CB -0.498 29.827 30.300 0.042 0.000 0.846 258 R HN 0.346 nan 8.270 nan 0.000 0.431 259 A N -0.223 122.550 122.820 -0.078 0.000 1.933 259 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 259 A C 2.245 179.796 177.584 -0.054 0.000 1.175 259 A CA 2.060 54.059 52.037 -0.064 0.000 0.628 259 A CB -0.976 17.991 19.000 -0.056 0.000 0.814 259 A HN 0.554 nan 8.150 nan 0.000 0.444 260 T N -0.491 114.030 114.554 -0.054 0.000 2.708 260 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 260 T C 1.860 176.563 174.700 0.006 0.000 1.037 260 T CA 1.641 63.736 62.100 -0.009 0.000 1.146 260 T CB -0.384 68.439 68.868 -0.075 0.000 0.865 260 T HN 0.151 nan 8.240 nan 0.000 0.435 261 V N 1.291 121.115 119.914 -0.150 0.000 2.427 261 V HA -0.087 4.033 4.120 -0.000 0.000 0.248 261 V C 2.352 178.331 176.094 -0.192 0.000 1.051 261 V CA 1.541 63.699 62.300 -0.236 0.000 1.048 261 V CB -0.453 31.054 31.823 -0.527 0.000 0.666 261 V HN 0.530 nan 8.190 nan 0.000 0.456 262 E N 0.143 120.225 120.200 -0.197 0.000 2.435 262 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 262 E C 2.173 178.739 176.600 -0.056 0.000 1.029 262 E CA 1.053 57.384 56.400 -0.115 0.000 0.865 262 E CB 0.050 29.701 29.700 -0.082 0.000 0.833 262 E HN 0.750 nan 8.360 nan 0.000 0.510 263 S N -0.813 114.863 115.700 -0.040 0.000 2.492 263 S HA -0.015 4.455 4.470 -0.000 0.000 0.218 263 S C 1.400 175.884 174.600 -0.193 0.000 1.016 263 S CA 0.191 58.331 58.200 -0.101 0.000 0.916 263 S CB -0.114 63.009 63.200 -0.128 0.000 0.791 263 S HN 0.247 nan 8.310 nan 0.000 0.513 264 H N 0.775 119.798 119.070 -0.078 0.000 2.563 264 H HA 0.374 4.930 4.556 -0.000 0.000 0.264 264 H C 0.927 176.226 175.328 -0.049 0.000 0.957 264 H CA 0.565 56.576 56.048 -0.062 0.000 1.173 264 H CB -0.126 29.596 29.762 -0.067 0.000 1.420 264 H HN 0.343 nan 8.280 nan 0.000 0.551 265 E N 0.637 120.857 120.200 0.032 0.000 2.670 265 E HA -0.262 4.088 4.350 -0.000 0.000 0.256 265 E C -0.787 175.822 176.600 0.016 0.000 1.264 265 E CA 1.069 57.473 56.400 0.006 0.000 0.713 265 E CB -1.058 28.633 29.700 -0.014 0.000 1.308 265 E HN 0.515 nan 8.360 nan 0.000 0.427 266 S N -2.776 112.944 115.700 0.032 0.000 3.572 266 S HA 0.325 4.795 4.470 -0.000 0.000 0.116 266 S C -0.641 173.983 174.600 0.041 0.000 0.834 266 S CA -0.319 57.898 58.200 0.028 0.000 0.803 266 S CB -0.208 63.002 63.200 0.017 0.000 1.335 266 S HN 0.137 nan 8.310 nan 0.000 0.650 267 S N 1.871 117.592 115.700 0.036 0.000 2.563 267 S HA 0.479 4.949 4.470 -0.000 0.000 0.279 267 S C 0.221 174.821 174.600 -0.000 0.000 1.155 267 S CA -0.958 57.259 58.200 0.028 0.000 0.928 267 S CB 1.412 64.644 63.200 0.052 0.000 1.107 267 S HN 1.146 nan 8.310 nan 0.000 0.462 268 L N 0.221 121.442 121.223 -0.004 0.000 2.667 268 L HA 0.539 4.879 4.340 -0.000 0.000 0.232 268 L C 0.793 177.647 176.870 -0.026 0.000 1.138 268 L CA 0.040 54.872 54.840 -0.014 0.000 0.921 268 L CB 0.413 42.468 42.059 -0.005 0.000 1.180 268 L HN 0.631 nan 8.230 nan 0.000 0.487 269 T N 1.235 115.770 114.554 -0.031 0.000 3.313 269 T HA 0.410 4.760 4.350 -0.000 0.000 0.263 269 T C 0.244 174.882 174.700 -0.102 0.000 0.983 269 T CA -0.465 61.611 62.100 -0.040 0.000 0.963 269 T CB -0.572 68.292 68.868 -0.006 0.000 1.141 269 T HN 0.251 nan 8.240 nan 0.000 0.526 270 L N 3.929 125.058 121.223 -0.157 0.000 2.455 270 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 270 L C -1.654 175.064 176.870 -0.254 0.000 1.174 270 L CA -1.677 52.976 54.840 -0.312 0.000 0.869 270 L CB 0.147 42.062 42.059 -0.241 0.000 1.130 270 L HN 0.237 nan 8.230 nan 0.000 0.474 271 P HA 0.236 nan 4.420 nan 0.000 0.279 271 P C -2.575 174.643 177.300 -0.137 0.000 1.239 271 P CA -1.499 61.492 63.100 -0.181 0.000 0.789 271 P CB 0.316 31.920 31.700 -0.159 0.000 0.933 272 P HA 0.217 nan 4.420 nan 0.000 0.272 272 P C -0.013 177.270 177.300 -0.028 0.000 1.230 272 P CA -0.107 62.966 63.100 -0.044 0.000 0.788 272 P CB 0.795 32.471 31.700 -0.040 0.000 0.949 273 I N 1.469 122.053 120.570 0.023 0.000 2.416 273 I HA 0.166 4.336 4.170 -0.000 0.000 0.288 273 I C 1.018 177.160 176.117 0.041 0.000 1.051 273 I CA -0.147 61.192 61.300 0.064 0.000 1.375 273 I CB 0.290 38.422 38.000 0.220 0.000 1.407 273 I HN 0.110 nan 8.210 nan 0.000 0.516 274 K N 6.600 127.009 120.400 0.014 0.000 2.185 274 K HA 0.583 4.903 4.320 -0.000 0.000 0.269 274 K C -0.861 175.740 176.600 0.002 0.000 0.987 274 K CA -0.700 55.587 56.287 -0.000 0.000 0.865 274 K CB 1.927 34.422 32.500 -0.008 0.000 1.090 274 K HN 0.384 nan 8.250 nan 0.000 0.450 275 I N 3.254 123.827 120.570 0.004 0.000 2.441 275 I HA 0.353 4.523 4.170 -0.000 0.000 0.295 275 I C -0.404 175.702 176.117 -0.018 0.000 0.994 275 I CA -0.674 60.621 61.300 -0.008 0.000 1.144 275 I CB 1.689 39.709 38.000 0.034 0.000 1.314 275 I HN 0.567 nan 8.210 nan 0.000 0.445 276 M N 6.679 126.260 119.600 -0.031 0.000 2.142 276 M HA 0.389 4.869 4.480 -0.000 0.000 0.299 276 M C -1.315 174.966 176.300 -0.032 0.000 0.960 276 M CA -0.713 54.573 55.300 -0.023 0.000 0.920 276 M CB 1.775 34.367 32.600 -0.014 0.000 1.541 276 M HN 0.134 nan 8.290 nan 0.000 0.429 277 V N 3.962 123.861 119.914 -0.025 0.000 2.370 277 V HA 0.818 4.938 4.120 -0.000 0.000 0.283 277 V C 0.033 176.114 176.094 -0.021 0.000 1.023 277 V CA -0.678 61.605 62.300 -0.029 0.000 0.857 277 V CB 1.280 33.088 31.823 -0.026 0.000 0.985 277 V HN 0.906 nan 8.190 nan 0.000 0.443 278 A N 5.187 127.998 122.820 -0.015 0.000 2.374 278 A HA 0.966 5.286 4.320 -0.000 0.000 0.317 278 A C -1.344 176.241 177.584 0.002 0.000 1.094 278 A CA -0.617 51.419 52.037 -0.002 0.000 0.765 278 A CB 1.737 20.746 19.000 0.015 0.000 1.268 278 A HN 0.876 nan 8.150 nan 0.000 0.438 279 L N 1.768 122.992 121.223 0.001 0.000 2.409 279 L HA 0.818 5.158 4.340 -0.000 0.000 0.272 279 L C 0.197 177.072 176.870 0.009 0.000 0.980 279 L CA 0.329 55.171 54.840 0.004 0.000 0.826 279 L CB 1.739 43.792 42.059 -0.010 0.000 1.268 279 L HN 0.948 nan 8.230 nan 0.000 0.407 280 G N 2.628 111.439 108.800 0.018 0.000 3.119 280 G HA2 0.325 4.285 3.960 -0.000 0.000 0.206 280 G HA3 0.325 4.285 3.960 -0.000 0.000 0.206 280 G C 0.024 174.932 174.900 0.013 0.000 1.313 280 G CA -0.173 44.937 45.100 0.016 0.000 1.010 280 G HN 0.653 nan 8.290 nan 0.000 0.578 281 E N -0.886 119.321 120.200 0.012 0.000 2.204 281 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 281 E C 1.687 178.295 176.600 0.013 0.000 0.989 281 E CA 1.472 57.879 56.400 0.010 0.000 0.824 281 E CB 0.329 30.034 29.700 0.008 0.000 0.756 281 E HN 0.631 nan 8.360 nan 0.000 0.477 282 E N -0.221 119.989 120.200 0.017 0.000 2.441 282 E HA 0.004 4.354 4.350 -0.000 0.000 0.207 282 E C -0.464 176.155 176.600 0.031 0.000 0.803 282 E CA -0.052 56.360 56.400 0.020 0.000 1.240 282 E CB 0.711 30.418 29.700 0.012 0.000 1.233 282 E HN -0.070 nan 8.360 nan 0.000 0.590 283 D N 0.820 121.244 120.400 0.040 0.000 2.185 283 D HA 0.330 4.970 4.640 -0.000 0.000 0.247 283 D C -1.121 175.215 176.300 0.059 0.000 1.027 283 D CA -0.346 53.695 54.000 0.069 0.000 0.861 283 D CB 2.112 42.976 40.800 0.107 0.000 1.202 283 D HN 0.119 nan 8.370 nan 0.000 0.453 284 L N 1.379 122.635 121.223 0.056 0.000 2.298 284 L HA 0.446 4.786 4.340 -0.000 0.000 0.284 284 L C -0.929 175.960 176.870 0.032 0.000 1.013 284 L CA -0.201 54.652 54.840 0.022 0.000 0.824 284 L CB 0.822 42.867 42.059 -0.023 0.000 1.221 284 L HN 0.236 nan 8.230 nan 0.000 0.418 285 S N 5.894 121.604 115.700 0.017 0.000 2.519 285 S HA 0.630 5.100 4.470 -0.000 0.000 0.309 285 S C -0.547 173.996 174.600 -0.095 0.000 1.100 285 S CA -0.433 57.742 58.200 -0.042 0.000 1.059 285 S CB 1.552 64.773 63.200 0.034 0.000 1.008 285 S HN 0.442 nan 8.310 nan 0.000 0.478 286 I N 2.821 123.293 120.570 -0.163 0.000 2.382 286 I HA 0.392 4.562 4.170 -0.000 0.000 0.285 286 I C -0.218 175.792 176.117 -0.179 0.000 1.007 286 I CA -0.494 60.723 61.300 -0.138 0.000 1.142 286 I CB 1.494 39.421 38.000 -0.122 0.000 1.289 286 I HN 0.399 nan 8.210 nan 0.000 0.453 287 K N 7.294 127.614 120.400 -0.133 0.000 2.213 287 K HA 0.593 4.913 4.320 -0.000 0.000 0.270 287 K C -0.907 175.613 176.600 -0.133 0.000 1.002 287 K CA -0.529 55.680 56.287 -0.130 0.000 0.868 287 K CB 1.333 33.793 32.500 -0.067 0.000 1.093 287 K HN 0.593 nan 8.250 nan 0.000 0.454 288 M N 3.753 123.248 119.600 -0.175 0.000 2.023 288 M HA 0.267 4.747 4.480 -0.000 0.000 0.325 288 M C -1.333 174.871 176.300 -0.161 0.000 0.963 288 M CA -0.236 54.953 55.300 -0.185 0.000 0.928 288 M CB 1.263 33.686 32.600 -0.295 0.000 1.429 288 M HN 0.555 nan 8.290 nan 0.000 0.404 289 S N 3.568 119.203 115.700 -0.108 0.000 2.480 289 S HA 0.498 4.968 4.470 -0.000 0.000 0.286 289 S C -0.912 173.639 174.600 -0.082 0.000 1.180 289 S CA -0.726 57.414 58.200 -0.101 0.000 1.075 289 S CB 1.020 64.189 63.200 -0.053 0.000 0.996 289 S HN 0.784 nan 8.310 nan 0.000 0.487 290 D N 0.380 120.712 120.400 -0.112 0.000 2.601 290 D HA 0.411 5.051 4.640 -0.000 0.000 0.230 290 D C -0.583 175.591 176.300 -0.209 0.000 1.106 290 D CA -1.043 52.888 54.000 -0.115 0.000 0.873 290 D CB 0.971 41.721 40.800 -0.083 0.000 1.515 290 D HN 0.260 nan 8.370 nan 0.000 0.468 291 R N 1.063 121.422 120.500 -0.234 0.000 3.534 291 R HA 0.350 4.690 4.340 -0.000 0.000 0.312 291 R C 0.790 176.998 176.300 -0.153 0.000 1.419 291 R CA -0.388 55.486 56.100 -0.378 0.000 1.262 291 R CB 0.719 30.781 30.300 -0.395 0.000 1.437 291 R HN 0.621 nan 8.270 nan 0.000 0.627 292 G N -0.375 108.352 108.800 -0.121 0.000 3.327 292 G HA2 0.213 4.173 3.960 -0.000 0.000 0.240 292 G HA3 0.213 4.173 3.960 -0.000 0.000 0.240 292 G C 1.017 175.870 174.900 -0.079 0.000 1.222 292 G CA 0.338 45.407 45.100 -0.052 0.000 0.871 292 G HN 0.529 nan 8.290 nan 0.000 0.525 293 G N -1.280 107.451 108.800 -0.115 0.000 2.199 293 G HA2 0.180 4.140 3.960 -0.000 0.000 0.254 293 G HA3 0.180 4.140 3.960 -0.000 0.000 0.254 293 G C 1.137 176.016 174.900 -0.034 0.000 0.982 293 G CA 0.583 45.633 45.100 -0.082 0.000 0.632 293 G HN 2.128 nan 8.290 nan 0.000 0.529 294 G N -2.241 106.537 108.800 -0.038 0.000 2.877 294 G HA2 0.225 4.185 3.960 -0.000 0.000 0.279 294 G HA3 0.225 4.185 3.960 -0.000 0.000 0.279 294 G C -0.279 174.615 174.900 -0.010 0.000 1.431 294 G CA 0.162 45.257 45.100 -0.008 0.000 0.883 294 G HN 1.684 nan 8.290 nan 0.000 0.547 295 V N 1.512 121.425 119.914 -0.000 0.000 2.686 295 V HA 0.605 4.725 4.120 -0.000 0.000 0.306 295 V C -1.899 174.200 176.094 0.008 0.000 1.065 295 V CA -1.124 61.172 62.300 -0.006 0.000 0.894 295 V CB 2.220 34.029 31.823 -0.023 0.000 1.004 295 V HN 0.859 nan 8.190 nan 0.000 0.424 296 P HA 0.022 nan 4.420 nan 0.000 0.265 296 P C 0.776 178.080 177.300 0.006 0.000 1.187 296 P CA -0.033 63.071 63.100 0.007 0.000 0.766 296 P CB 1.005 32.704 31.700 -0.001 0.000 0.820 297 L N 4.279 125.511 121.223 0.015 0.000 2.079 297 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 297 L C 2.557 179.428 176.870 0.001 0.000 1.081 297 L CA 1.820 56.672 54.840 0.019 0.000 0.752 297 L CB -0.828 41.242 42.059 0.020 0.000 0.896 297 L HN 0.385 nan 8.230 nan 0.000 0.433 298 R N -0.516 119.977 120.500 -0.012 0.000 2.237 298 R HA -0.141 4.199 4.340 -0.000 0.000 0.219 298 R C 1.751 178.019 176.300 -0.052 0.000 1.080 298 R CA 1.417 57.500 56.100 -0.028 0.000 0.995 298 R CB -0.392 29.893 30.300 -0.025 0.000 0.875 298 R HN 0.380 nan 8.270 nan 0.000 0.462 299 K N 0.140 120.510 120.400 -0.050 0.000 2.379 299 K HA 0.124 4.444 4.320 -0.000 0.000 0.194 299 K C 1.733 178.288 176.600 -0.075 0.000 1.031 299 K CA -0.147 56.090 56.287 -0.083 0.000 1.037 299 K CB 0.280 32.740 32.500 -0.066 0.000 0.824 299 K HN 0.102 nan 8.250 nan 0.000 0.516 300 I N 2.591 123.148 120.570 -0.022 0.000 2.113 300 I HA -0.271 3.899 4.170 -0.000 0.000 0.238 300 I C 2.244 178.402 176.117 0.067 0.000 1.070 300 I CA 1.681 62.995 61.300 0.022 0.000 1.332 300 I CB -1.076 36.978 38.000 0.089 0.000 1.044 300 I HN 0.263 nan 8.210 nan 0.000 0.402 301 E N 0.770 121.013 120.200 0.072 0.000 2.209 301 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 301 E C 2.101 178.734 176.600 0.056 0.000 0.993 301 E CA 0.756 57.224 56.400 0.112 0.000 0.819 301 E CB -0.713 29.016 29.700 0.048 0.000 0.745 301 E HN 0.447 nan 8.360 nan 0.000 0.477 302 R N 1.279 121.725 120.500 -0.091 0.000 2.148 302 R HA 0.013 4.353 4.340 -0.000 0.000 0.223 302 R C 2.268 178.469 176.300 -0.164 0.000 1.088 302 R CA 0.377 56.329 56.100 -0.247 0.000 0.985 302 R CB -0.200 29.806 30.300 -0.490 0.000 0.880 302 R HN 0.265 nan 8.270 nan 0.000 0.451 303 L N -0.301 120.815 121.223 -0.178 0.000 2.465 303 L HA -0.029 4.311 4.340 -0.000 0.000 0.224 303 L C 0.906 177.480 176.870 -0.493 0.000 1.145 303 L CA 0.732 55.375 54.840 -0.328 0.000 0.834 303 L CB -0.178 41.618 42.059 -0.439 0.000 0.944 303 L HN 0.049 nan 8.230 nan 0.000 0.451 304 F N -1.011 118.868 119.950 -0.119 0.000 2.647 304 F HA 0.161 4.688 4.527 -0.000 0.000 0.300 304 F C 1.289 176.929 175.800 -0.266 0.000 1.106 304 F CA -0.338 57.547 58.000 -0.192 0.000 1.313 304 F CB 0.395 39.322 39.000 -0.123 0.000 1.007 304 F HN -0.150 nan 8.300 nan 0.000 0.536 305 S N -0.721 114.953 115.700 -0.043 0.000 2.499 305 S HA 0.202 4.672 4.470 -0.000 0.000 0.279 305 S C 0.843 175.399 174.600 -0.073 0.000 1.219 305 S CA -0.412 57.807 58.200 0.031 0.000 1.062 305 S CB 0.621 63.979 63.200 0.262 0.000 0.978 305 S HN 0.316 nan 8.310 nan 0.000 0.489 306 Y N 3.421 123.734 120.300 0.020 0.000 2.286 306 Y HA 0.052 4.602 4.550 -0.000 0.000 0.293 306 Y C 2.266 178.260 175.900 0.158 0.000 1.124 306 Y CA 1.136 59.160 58.100 -0.127 0.000 1.178 306 Y CB -0.145 38.193 38.460 -0.203 0.000 1.010 306 Y HN 0.616 nan 8.280 nan 0.000 0.536 307 M N -2.070 117.724 119.600 0.322 0.000 2.447 307 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 307 M C 1.307 177.701 176.300 0.157 0.000 1.095 307 M CA 1.357 56.803 55.300 0.244 0.000 1.125 307 M CB -0.199 32.501 32.600 0.168 0.000 1.389 307 M HN 0.299 nan 8.290 nan 0.000 0.459 308 Y N 0.010 120.403 120.300 0.155 0.000 2.206 308 Y HA -0.028 4.522 4.550 -0.000 0.000 0.292 308 Y C 1.775 177.751 175.900 0.125 0.000 1.123 308 Y CA 0.992 59.161 58.100 0.116 0.000 1.142 308 Y CB 0.259 38.762 38.460 0.072 0.000 1.006 308 Y HN 0.001 nan 8.280 nan 0.000 0.518 309 S N 0.427 116.306 115.700 0.299 0.000 2.994 309 S HA 0.188 4.658 4.470 -0.000 0.000 0.247 309 S C -0.529 174.263 174.600 0.320 0.000 1.323 309 S CA 0.087 58.439 58.200 0.253 0.000 1.246 309 S CB -0.479 62.826 63.200 0.176 0.000 0.994 309 S HN 0.139 nan 8.310 nan 0.000 0.484 310 T N 1.700 116.435 114.554 0.303 0.000 3.193 310 T HA 0.626 4.976 4.350 -0.000 0.000 0.332 310 T C -0.924 173.907 174.700 0.219 0.000 1.208 310 T CA -0.594 61.706 62.100 0.333 0.000 1.080 310 T CB 1.699 70.807 68.868 0.399 0.000 1.180 310 T HN 0.271 nan 8.240 nan 0.000 0.469 311 A N 3.501 126.427 122.820 0.176 0.000 2.498 311 A HA 1.019 5.339 4.320 -0.000 0.000 0.298 311 A C -2.700 174.929 177.584 0.076 0.000 1.075 311 A CA -1.377 50.725 52.037 0.107 0.000 0.714 311 A CB 0.767 19.820 19.000 0.089 0.000 1.299 311 A HN 0.615 nan 8.150 nan 0.000 0.407 324 A N 0.761 123.446 122.820 -0.225 0.000 2.410 324 A HA 0.609 4.929 4.320 -0.000 0.000 0.292 324 A C 0.860 178.392 177.584 -0.087 0.000 1.232 324 A CA 0.494 52.472 52.037 -0.098 0.000 0.893 324 A CB -0.178 18.817 19.000 -0.008 0.000 1.131 324 A HN 0.549 nan 8.150 nan 0.000 0.530 325 G N 1.601 110.371 108.800 -0.049 0.000 2.964 325 G HA2 0.283 4.243 3.960 -0.000 0.000 0.191 325 G HA3 0.283 4.243 3.960 -0.000 0.000 0.191 325 G C 0.915 175.869 174.900 0.089 0.000 1.978 325 G CA 0.086 45.183 45.100 -0.005 0.000 0.861 325 G HN 0.586 nan 8.290 nan 0.000 0.584 326 F N 0.611 120.556 119.950 -0.009 0.000 2.014 326 F HA 0.334 4.861 4.527 -0.000 0.000 0.294 326 F C 2.067 177.894 175.800 0.045 0.000 1.392 326 F CA 1.196 59.195 58.000 -0.000 0.000 1.150 326 F CB 0.504 39.486 39.000 -0.029 0.000 0.935 326 F HN 0.360 nan 8.300 nan 0.000 0.507 327 G N -2.553 106.470 108.800 0.372 0.000 4.260 327 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.204 327 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.204 327 G C -0.422 174.624 174.900 0.243 0.000 0.952 327 G CA -0.244 44.999 45.100 0.239 0.000 0.815 327 G HN 0.389 nan 8.290 nan 0.000 0.465 328 Y N 1.576 121.771 120.300 -0.174 0.000 2.485 328 Y HA 0.306 4.856 4.550 -0.000 0.000 0.260 328 Y C 2.260 178.133 175.900 -0.045 0.000 1.173 328 Y CA -0.357 57.651 58.100 -0.153 0.000 1.252 328 Y CB 0.295 38.614 38.460 -0.236 0.000 1.123 328 Y HN 0.160 nan 8.280 nan 0.000 0.524 329 G N 0.155 109.023 108.800 0.113 0.000 2.421 329 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 329 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 329 G C 1.738 176.673 174.900 0.058 0.000 1.171 329 G CA 0.766 45.913 45.100 0.080 0.000 0.775 329 G HN 0.357 nan 8.290 nan 0.000 0.543 330 L N 0.884 122.081 121.223 -0.044 0.000 1.988 330 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 330 L C 0.173 177.085 176.870 0.069 0.000 1.071 330 L CA 1.139 55.926 54.840 -0.088 0.000 0.744 330 L CB -0.853 40.954 42.059 -0.420 0.000 0.893 330 L HN 0.173 nan 8.230 nan 0.000 0.433 331 P HA -0.190 nan 4.420 nan 0.000 0.215 331 P C 1.775 179.128 177.300 0.088 0.000 1.153 331 P CA 1.638 64.727 63.100 -0.018 0.000 0.853 331 P CB 0.063 31.368 31.700 -0.658 0.000 0.788 332 I N -1.101 119.525 120.570 0.093 0.000 2.353 332 I HA -0.191 3.978 4.170 -0.000 0.000 0.248 332 I C 2.071 178.330 176.117 0.236 0.000 1.119 332 I CA 1.336 62.708 61.300 0.120 0.000 1.417 332 I CB -0.374 37.688 38.000 0.104 0.000 1.078 332 I HN -0.085 nan 8.210 nan 0.000 0.421 333 S N 0.156 116.061 115.700 0.341 0.000 2.402 333 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 333 S C 2.061 176.859 174.600 0.329 0.000 1.021 333 S CA 0.889 59.345 58.200 0.427 0.000 0.974 333 S CB -0.290 63.107 63.200 0.328 0.000 0.800 333 S HN 0.370 nan 8.310 nan 0.000 0.484 334 R N 1.100 121.759 120.500 0.265 0.000 2.092 334 R HA 0.016 4.356 4.340 -0.000 0.000 0.231 334 R C 2.037 178.423 176.300 0.142 0.000 1.119 334 R CA 0.965 57.184 56.100 0.199 0.000 0.970 334 R CB -0.393 30.004 30.300 0.161 0.000 0.864 334 R HN 0.382 nan 8.270 nan 0.000 0.440 335 L N -0.436 120.845 121.223 0.098 0.000 2.083 335 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 335 L C 2.186 179.039 176.870 -0.027 0.000 1.083 335 L CA 1.326 56.165 54.840 -0.002 0.000 0.752 335 L CB -0.593 41.414 42.059 -0.087 0.000 0.899 335 L HN 0.209 nan 8.230 nan 0.000 0.433 336 Y N -0.030 120.294 120.300 0.039 0.000 2.145 336 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 336 Y C 2.711 178.769 175.900 0.263 0.000 1.145 336 Y CA 1.328 59.474 58.100 0.076 0.000 1.148 336 Y CB -0.481 37.980 38.460 0.002 0.000 0.981 336 Y HN 0.139 nan 8.280 nan 0.000 0.507 337 A N 0.061 123.113 122.820 0.386 0.000 1.940 337 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 337 A C 2.055 179.812 177.584 0.287 0.000 1.176 337 A CA 1.882 54.119 52.037 0.333 0.000 0.631 337 A CB -0.493 18.652 19.000 0.241 0.000 0.814 337 A HN 0.421 nan 8.150 nan 0.000 0.446 338 K N -2.021 118.506 120.400 0.212 0.000 2.366 338 K HA -0.035 4.285 4.320 -0.000 0.000 0.198 338 K C 1.699 178.393 176.600 0.156 0.000 1.044 338 K CA 0.812 57.189 56.287 0.150 0.000 0.973 338 K CB -0.164 32.384 32.500 0.080 0.000 0.767 338 K HN 0.621 nan 8.250 nan 0.000 0.475 339 Y N 0.100 120.419 120.300 0.032 0.000 2.293 339 Y HA -0.103 4.447 4.550 -0.000 0.000 0.291 339 Y C 0.427 176.171 175.900 -0.261 0.000 1.137 339 Y CA 1.059 59.071 58.100 -0.147 0.000 1.202 339 Y CB 0.153 38.484 38.460 -0.214 0.000 0.990 339 Y HN -0.135 nan 8.280 nan 0.000 0.537 340 F N 2.028 121.991 119.950 0.022 0.000 2.942 340 F HA 0.284 4.811 4.527 -0.000 0.000 0.324 340 F C 0.206 176.043 175.800 0.061 0.000 1.265 340 F CA -0.898 57.076 58.000 -0.044 0.000 1.255 340 F CB -0.198 38.821 39.000 0.032 0.000 1.048 340 F HN -0.066 nan 8.300 nan 0.000 0.512 341 Q N -1.011 118.884 119.800 0.159 0.000 2.494 341 Q HA -0.170 4.170 4.340 -0.000 0.000 0.266 341 Q C 0.503 176.587 176.000 0.141 0.000 1.053 341 Q CA 0.956 56.833 55.803 0.124 0.000 1.029 341 Q CB -1.892 26.911 28.738 0.109 0.000 1.423 341 Q HN 0.637 nan 8.270 nan 0.000 0.516 342 G N -0.939 107.974 108.800 0.188 0.000 2.795 342 G HA2 0.631 4.591 3.960 -0.000 0.000 0.267 342 G HA3 0.631 4.591 3.960 -0.000 0.000 0.267 342 G C -0.786 174.216 174.900 0.170 0.000 1.362 342 G CA 0.074 45.289 45.100 0.192 0.000 1.048 342 G HN 0.082 nan 8.290 nan 0.000 0.547 343 D N -1.892 118.641 120.400 0.222 0.000 2.615 343 D HA 0.472 5.112 4.640 -0.000 0.000 0.267 343 D C -1.620 174.824 176.300 0.241 0.000 1.236 343 D CA -0.463 53.656 54.000 0.198 0.000 0.839 343 D CB 2.261 43.153 40.800 0.152 0.000 1.380 343 D HN 0.270 nan 8.370 nan 0.000 0.433 344 L N 1.967 123.289 121.223 0.164 0.000 2.415 344 L HA 0.430 4.770 4.340 -0.000 0.000 0.268 344 L C -1.186 175.771 176.870 0.146 0.000 0.984 344 L CA -0.280 54.652 54.840 0.153 0.000 0.853 344 L CB 1.234 43.394 42.059 0.168 0.000 1.215 344 L HN 0.284 nan 8.230 nan 0.000 0.419 345 Q N 4.504 124.427 119.800 0.205 0.000 2.312 345 Q HA 0.577 4.917 4.340 -0.000 0.000 0.263 345 Q C -1.316 174.869 176.000 0.308 0.000 0.995 345 Q CA -0.564 55.390 55.803 0.251 0.000 0.853 345 Q CB 3.098 32.033 28.738 0.329 0.000 1.300 345 Q HN 0.582 nan 8.270 nan 0.000 0.448 346 L N 4.314 125.751 121.223 0.357 0.000 2.307 346 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 346 L C -1.163 175.932 176.870 0.373 0.000 1.023 346 L CA -0.791 54.222 54.840 0.288 0.000 0.810 346 L CB 0.697 42.917 42.059 0.268 0.000 1.231 346 L HN 0.638 nan 8.230 nan 0.000 0.423 347 F N 0.962 120.957 119.950 0.074 0.000 2.607 347 F HA 0.691 5.218 4.527 -0.000 0.000 0.322 347 F C -0.491 175.343 175.800 0.057 0.000 1.176 347 F CA -0.623 57.414 58.000 0.063 0.000 0.977 347 F CB 1.140 40.175 39.000 0.060 0.000 1.242 347 F HN 0.310 nan 8.300 nan 0.000 0.465 348 S N 3.912 119.688 115.700 0.127 0.000 2.759 348 S HA 0.817 5.287 4.470 -0.000 0.000 0.310 348 S C -0.665 174.015 174.600 0.134 0.000 1.123 348 S CA -1.184 57.056 58.200 0.067 0.000 0.959 348 S CB 1.928 65.147 63.200 0.032 0.000 1.172 348 S HN 0.711 nan 8.310 nan 0.000 0.539 349 M N 1.210 120.896 119.600 0.144 0.000 2.093 349 M HA 0.444 4.924 4.480 -0.000 0.000 0.297 349 M C -0.617 175.759 176.300 0.127 0.000 0.938 349 M CA -0.282 55.100 55.300 0.137 0.000 0.920 349 M CB 1.321 34.005 32.600 0.140 0.000 1.517 349 M HN 0.878 nan 8.290 nan 0.000 0.427 350 E N 1.821 122.068 120.200 0.079 0.000 2.558 350 E HA 0.196 4.546 4.350 -0.000 0.000 0.255 350 E C 1.139 177.782 176.600 0.072 0.000 0.968 350 E CA 1.610 58.044 56.400 0.057 0.000 0.939 350 E CB 0.379 30.099 29.700 0.034 0.000 0.921 350 E HN 0.970 nan 8.360 nan 0.000 0.477 351 G N 3.410 112.246 108.800 0.060 0.000 2.176 351 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.253 351 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.253 351 G C 0.135 175.115 174.900 0.134 0.000 0.979 351 G CA 0.328 45.466 45.100 0.064 0.000 0.641 351 G HN 0.608 nan 8.290 nan 0.000 0.530 352 F N 0.499 120.437 119.950 -0.020 0.000 2.182 352 F HA 0.566 5.093 4.527 -0.000 0.000 0.254 352 F C 1.268 177.061 175.800 -0.012 0.000 0.972 352 F CA 1.957 59.949 58.000 -0.013 0.000 1.182 352 F CB 0.569 39.567 39.000 -0.004 0.000 1.382 352 F HN 0.787 nan 8.300 nan 0.000 0.718 353 G N -0.469 108.289 108.800 -0.070 0.000 2.325 353 G HA2 0.446 4.406 3.960 -0.000 0.000 0.295 353 G HA3 0.446 4.406 3.960 -0.000 0.000 0.295 353 G C -1.641 173.240 174.900 -0.031 0.000 1.274 353 G CA -0.144 44.827 45.100 -0.214 0.000 0.857 353 G HN 0.175 nan 8.290 nan 0.000 0.499 354 T N 0.772 115.266 114.554 -0.099 0.000 2.993 354 T HA 0.588 4.938 4.350 -0.000 0.000 0.312 354 T C -1.937 172.621 174.700 -0.237 0.000 1.115 354 T CA -0.527 61.493 62.100 -0.134 0.000 1.027 354 T CB 2.011 70.808 68.868 -0.118 0.000 1.116 354 T HN 0.437 nan 8.240 nan 0.000 0.464 355 D N 1.806 121.928 120.400 -0.464 0.000 2.192 355 D HA 0.667 5.307 4.640 -0.000 0.000 0.246 355 D C -0.644 175.340 176.300 -0.527 0.000 1.042 355 D CA -0.212 53.418 54.000 -0.618 0.000 0.847 355 D CB 1.556 41.683 40.800 -1.121 0.000 1.186 355 D HN 0.690 nan 8.370 nan 0.000 0.461 356 A N 1.820 124.457 122.820 -0.305 0.000 2.319 356 A HA 0.615 4.935 4.320 -0.000 0.000 0.310 356 A C -0.896 176.599 177.584 -0.149 0.000 1.152 356 A CA -0.648 51.290 52.037 -0.166 0.000 0.783 356 A CB 0.921 19.838 19.000 -0.138 0.000 1.184 356 A HN 0.347 nan 8.150 nan 0.000 0.474 357 V N 3.942 123.804 119.914 -0.088 0.000 2.417 357 V HA 0.417 4.537 4.120 -0.000 0.000 0.291 357 V C -0.196 175.724 176.094 -0.290 0.000 1.024 357 V CA -0.286 61.867 62.300 -0.245 0.000 0.861 357 V CB 1.322 32.926 31.823 -0.364 0.000 0.985 357 V HN 0.763 nan 8.190 nan 0.000 0.436 358 I N 4.803 125.192 120.570 -0.301 0.000 2.353 358 I HA 0.425 4.595 4.170 -0.000 0.000 0.293 358 I C -1.000 174.952 176.117 -0.275 0.000 0.992 358 I CA -0.351 60.842 61.300 -0.179 0.000 1.268 358 I CB 1.067 39.015 38.000 -0.086 0.000 1.387 358 I HN 0.527 nan 8.210 nan 0.000 0.478 359 Y N 6.646 126.969 120.300 0.038 0.000 2.328 359 Y HA 0.618 5.168 4.550 -0.000 0.000 0.336 359 Y C -0.448 175.468 175.900 0.027 0.000 0.960 359 Y CA -0.727 57.389 58.100 0.027 0.000 1.134 359 Y CB 1.461 39.942 38.460 0.035 0.000 1.166 359 Y HN 0.289 nan 8.280 nan 0.000 0.464 360 L N 4.205 125.512 121.223 0.141 0.000 2.381 360 L HA 0.524 4.864 4.340 -0.000 0.000 0.268 360 L C -0.591 176.326 176.870 0.078 0.000 0.997 360 L CA -1.482 53.401 54.840 0.072 0.000 0.818 360 L CB 1.550 43.531 42.059 -0.131 0.000 1.310 360 L HN 0.414 nan 8.230 nan 0.000 0.416 361 K N 1.329 121.790 120.400 0.102 0.000 2.436 361 K HA 0.129 4.449 4.320 -0.000 0.000 0.275 361 K C 0.664 177.294 176.600 0.050 0.000 0.999 361 K CA 0.072 56.406 56.287 0.079 0.000 0.980 361 K CB 1.175 33.731 32.500 0.093 0.000 0.919 361 K HN 0.800 nan 8.250 nan 0.000 0.484 362 A N 3.683 126.525 122.820 0.037 0.000 2.218 362 A HA 0.137 4.457 4.320 -0.000 0.000 0.209 362 A C 0.509 178.107 177.584 0.023 0.000 1.168 362 A CA 0.372 52.423 52.037 0.023 0.000 0.804 362 A CB 0.084 19.096 19.000 0.020 0.000 0.834 362 A HN 0.543 nan 8.150 nan 0.000 0.482 363 L N -0.077 121.162 121.223 0.026 0.000 2.385 363 L HA 0.243 4.583 4.340 -0.000 0.000 0.273 363 L C 1.342 178.221 176.870 0.015 0.000 0.990 363 L CA -0.261 54.590 54.840 0.018 0.000 0.821 363 L CB 2.107 44.176 42.059 0.017 0.000 1.279 363 L HN 0.284 nan 8.230 nan 0.000 0.412 364 S N -0.942 114.758 115.700 0.000 0.000 2.507 364 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 364 S C 1.262 175.856 174.600 -0.009 0.000 0.988 364 S CA 1.196 59.384 58.200 -0.021 0.000 0.944 364 S CB -0.341 62.841 63.200 -0.029 0.000 0.762 364 S HN 0.767 nan 8.310 nan 0.000 0.526 365 T N 1.631 116.187 114.554 0.004 0.000 2.978 365 T HA 0.052 4.402 4.350 -0.000 0.000 0.262 365 T C 1.047 175.760 174.700 0.023 0.000 1.063 365 T CA 0.987 63.093 62.100 0.009 0.000 1.140 365 T CB -0.240 68.633 68.868 0.007 0.000 0.886 365 T HN 0.389 nan 8.240 nan 0.000 0.470 366 D N 1.415 121.834 120.400 0.031 0.000 2.346 366 D HA 0.092 4.732 4.640 -0.000 0.000 0.206 366 D C 0.498 176.846 176.300 0.081 0.000 1.001 366 D CA 0.319 54.347 54.000 0.047 0.000 0.871 366 D CB 0.039 40.865 40.800 0.043 0.000 0.943 366 D HN 0.200 nan 8.370 nan 0.000 0.518 367 S N 1.105 116.853 115.700 0.079 0.000 3.900 367 S HA 0.196 4.666 4.470 -0.000 0.000 0.248 367 S C 0.203 174.958 174.600 0.258 0.000 1.310 367 S CA -0.264 58.018 58.200 0.138 0.000 0.915 367 S CB 0.446 63.618 63.200 -0.047 0.000 1.588 367 S HN -0.096 nan 8.310 nan 0.000 0.472 368 V N 2.539 122.607 119.914 0.256 0.000 2.612 368 V HA 0.236 4.356 4.120 -0.000 0.000 0.301 368 V C 0.643 176.794 176.094 0.095 0.000 1.046 368 V CA -1.034 61.385 62.300 0.199 0.000 0.946 368 V CB 1.633 33.508 31.823 0.087 0.000 1.003 368 V HN 0.617 nan 8.190 nan 0.000 0.459 369 E N 2.086 122.263 120.200 -0.038 0.000 2.465 369 E HA 0.014 4.364 4.350 -0.000 0.000 0.260 369 E C -0.123 176.371 176.600 -0.176 0.000 0.980 369 E CA 0.015 56.191 56.400 -0.374 0.000 0.927 369 E CB 0.507 30.129 29.700 -0.129 0.000 0.934 369 E HN 0.345 nan 8.360 nan 0.000 0.459 370 R N 4.414 124.798 120.500 -0.193 0.000 2.280 370 R HA 0.253 4.593 4.340 -0.000 0.000 0.326 370 R C -1.281 175.054 176.300 0.059 0.000 1.080 370 R CA -0.125 55.965 56.100 -0.017 0.000 1.002 370 R CB -0.152 30.152 30.300 0.006 0.000 1.136 370 R HN 0.362 nan 8.270 nan 0.000 0.509 371 L N 5.607 126.854 121.223 0.040 0.000 2.365 371 L HA 0.639 4.979 4.340 -0.000 0.000 0.273 371 L C -1.896 174.984 176.870 0.017 0.000 1.000 371 L CA -2.331 52.534 54.840 0.042 0.000 0.819 371 L CB 2.051 44.149 42.059 0.065 0.000 1.284 371 L HN 0.526 nan 8.230 nan 0.000 0.418 372 P HA 0.191 nan 4.420 nan 0.000 0.276 372 P C -0.772 176.562 177.300 0.056 0.000 1.235 372 P CA -0.306 62.792 63.100 -0.003 0.000 0.772 372 P CB 1.312 32.983 31.700 -0.049 0.000 0.871 373 V N 1.831 121.789 119.914 0.074 0.000 2.427 373 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 373 V C -0.258 175.936 176.094 0.167 0.000 1.034 373 V CA -1.207 61.164 62.300 0.117 0.000 0.893 373 V CB 0.860 32.736 31.823 0.087 0.000 0.982 373 V HN 0.463 nan 8.190 nan 0.000 0.452 374 Y N 6.590 126.960 120.300 0.117 0.000 2.335 374 Y HA 0.607 5.157 4.550 -0.000 0.000 0.331 374 Y C 0.094 176.075 175.900 0.136 0.000 1.094 374 Y CA 0.075 58.269 58.100 0.156 0.000 1.253 374 Y CB 0.666 39.221 38.460 0.159 0.000 1.203 374 Y HN 1.087 nan 8.280 nan 0.000 0.508 375 N N 2.570 120.906 118.700 -0.607 0.000 3.277 375 N HA 0.170 4.910 4.740 -0.000 0.000 0.278 375 N C -0.150 175.100 175.510 -0.433 0.000 1.544 375 N CA -0.921 51.851 53.050 -0.462 0.000 0.869 375 N CB 0.650 39.055 38.487 -0.137 0.000 1.584 375 N HN 0.326 nan 8.380 nan 0.000 0.564 376 K N 0.074 120.357 120.400 -0.195 0.000 2.113 376 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 376 K C 1.660 178.337 176.600 0.128 0.000 1.047 376 K CA 2.052 58.322 56.287 -0.028 0.000 0.928 376 K CB -0.684 31.793 32.500 -0.038 0.000 0.716 376 K HN 0.512 nan 8.250 nan 0.000 0.446 377 S N -0.726 115.014 115.700 0.067 0.000 2.382 377 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 377 S C 1.932 176.649 174.600 0.196 0.000 1.027 377 S CA 1.334 59.609 58.200 0.125 0.000 0.991 377 S CB -0.417 62.836 63.200 0.089 0.000 0.823 377 S HN 0.444 nan 8.310 nan 0.000 0.469 378 A N -0.141 122.753 122.820 0.124 0.000 1.970 378 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 378 A C 1.826 179.610 177.584 0.334 0.000 1.170 378 A CA 1.152 53.314 52.037 0.209 0.000 0.645 378 A CB -1.167 17.953 19.000 0.201 0.000 0.816 378 A HN 0.853 nan 8.150 nan 0.000 0.447 379 W N 2.152 123.508 121.300 0.092 0.000 2.335 379 W HA -0.280 4.380 4.660 -0.000 0.000 0.311 379 W C 2.373 179.015 176.519 0.205 0.000 1.213 379 W CA 2.358 59.845 57.345 0.237 0.000 1.274 379 W CB -0.117 29.402 29.460 0.098 0.000 1.148 379 W HN 0.414 nan 8.180 nan 0.000 0.498 380 R N -1.269 119.258 120.500 0.046 0.000 2.237 380 R HA -0.110 4.230 4.340 -0.000 0.000 0.219 380 R C 1.637 177.716 176.300 -0.368 0.000 1.080 380 R CA 1.792 57.710 56.100 -0.304 0.000 0.995 380 R CB -1.272 28.996 30.300 -0.052 0.000 0.875 380 R HN 0.261 nan 8.270 nan 0.000 0.462 381 H N -0.401 118.426 119.070 -0.405 0.000 2.491 381 H HA -0.058 4.497 4.556 -0.000 0.000 0.290 381 H C 0.669 175.560 175.328 -0.727 0.000 1.050 381 H CA 1.705 57.337 56.048 -0.693 0.000 1.309 381 H CB 0.039 29.059 29.762 -1.236 0.000 1.392 381 H HN 0.284 nan 8.280 nan 0.000 0.554 382 Y N -0.442 119.692 120.300 -0.277 0.000 2.510 382 Y HA 0.064 4.614 4.550 -0.000 0.000 0.273 382 Y C 0.999 176.703 175.900 -0.327 0.000 1.119 382 Y CA 0.216 58.169 58.100 -0.244 0.000 1.286 382 Y CB 0.584 38.944 38.460 -0.166 0.000 1.061 382 Y HN 0.116 nan 8.280 nan 0.000 0.542 383 Q N 1.300 120.887 119.800 -0.355 0.000 2.465 383 Q HA 0.204 4.544 4.340 -0.000 0.000 0.361 383 Q C 0.041 175.860 176.000 -0.300 0.000 0.957 383 Q CA -0.023 55.530 55.803 -0.417 0.000 1.065 383 Q CB 0.012 28.248 28.738 -0.837 0.000 1.274 383 Q HN 0.352 nan 8.270 nan 0.000 0.421 384 T N -2.091 112.328 114.554 -0.226 0.000 2.940 384 T HA 0.864 5.214 4.350 -0.000 0.000 0.288 384 T C 0.407 175.039 174.700 -0.113 0.000 1.045 384 T CA -0.757 61.239 62.100 -0.173 0.000 1.018 384 T CB 1.725 70.476 68.868 -0.195 0.000 1.151 384 T HN 0.259 nan 8.240 nan 0.000 0.529 385 I N -2.239 118.281 120.570 -0.084 0.000 3.264 385 I HA 0.510 4.679 4.170 -0.000 0.000 0.315 385 I C -0.735 175.360 176.117 -0.036 0.000 1.154 385 I CA -1.784 59.485 61.300 -0.052 0.000 0.962 385 I CB 1.794 39.769 38.000 -0.042 0.000 1.265 385 I HN 0.525 nan 8.210 nan 0.000 0.463 386 Q N 2.035 121.824 119.800 -0.019 0.000 2.244 386 Q HA 0.144 4.484 4.340 -0.000 0.000 0.278 386 Q C -0.980 175.016 176.000 -0.006 0.000 1.093 386 Q CA 0.366 56.166 55.803 -0.006 0.000 0.916 386 Q CB 0.284 29.024 28.738 0.004 0.000 1.159 386 Q HN 0.500 nan 8.270 nan 0.000 0.384 387 E N 1.092 121.290 120.200 -0.004 0.000 2.232 387 E HA 0.652 5.002 4.350 -0.000 0.000 0.264 387 E C -0.822 175.785 176.600 0.011 0.000 0.973 387 E CA -0.963 55.436 56.400 -0.002 0.000 0.849 387 E CB 0.927 30.622 29.700 -0.007 0.000 1.198 387 E HN 0.596 nan 8.360 nan 0.000 0.407 388 A N 0.979 123.805 122.820 0.010 0.000 2.386 388 A HA 0.497 4.817 4.320 -0.000 0.000 0.248 388 A C 0.553 178.156 177.584 0.032 0.000 1.082 388 A CA 0.174 52.222 52.037 0.019 0.000 0.789 388 A CB 0.080 19.085 19.000 0.009 0.000 1.025 388 A HN 0.606 nan 8.150 nan 0.000 0.490 389 G N 0.105 108.937 108.800 0.054 0.000 2.467 389 G HA2 0.389 4.349 3.960 -0.000 0.000 0.257 389 G HA3 0.389 4.349 3.960 -0.000 0.000 0.257 389 G C 0.221 175.161 174.900 0.067 0.000 1.227 389 G CA 0.250 45.407 45.100 0.095 0.000 0.835 389 G HN 0.778 nan 8.290 nan 0.000 0.556 390 D N -0.204 120.234 120.400 0.064 0.000 2.336 390 D HA -0.002 4.638 4.640 -0.000 0.000 0.229 390 D C -0.226 175.862 176.300 -0.353 0.000 1.061 390 D CA -0.153 53.769 54.000 -0.130 0.000 0.875 390 D CB 0.059 40.753 40.800 -0.176 0.000 0.904 390 D HN 0.381 nan 8.370 nan 0.000 0.525 391 W N -0.194 121.107 121.300 0.001 0.000 2.799 391 W HA 0.420 5.080 4.660 -0.000 0.000 0.349 391 W C -0.292 176.230 176.519 0.004 0.000 1.100 391 W CA -1.121 56.226 57.345 0.003 0.000 1.174 391 W CB 1.057 30.520 29.460 0.004 0.000 1.427 391 W HN -0.274 nan 8.180 nan 0.000 0.547 392 C N 2.438 121.881 119.300 0.237 0.000 2.566 392 C HA 0.348 4.808 4.460 -0.000 0.000 0.393 392 C C 0.535 175.603 174.990 0.131 0.000 1.309 392 C CA -0.671 58.428 59.018 0.136 0.000 1.801 392 C CB -1.407 26.395 27.740 0.102 0.000 2.493 392 C HN 0.273 nan 8.230 nan 0.000 0.575 393 V N 7.465 127.435 119.914 0.094 0.000 2.432 393 V HA 0.281 4.401 4.120 -0.000 0.000 0.275 393 V C -1.033 175.093 176.094 0.054 0.000 1.043 393 V CA -0.821 61.522 62.300 0.072 0.000 0.925 393 V CB 0.659 32.519 31.823 0.061 0.000 0.985 393 V HN 0.810 nan 8.190 nan 0.000 0.466 394 P HA 0.208 nan 4.420 nan 0.000 0.274 394 P C -0.168 177.150 177.300 0.031 0.000 1.256 394 P CA -0.328 62.794 63.100 0.037 0.000 0.795 394 P CB 0.665 32.385 31.700 0.033 0.000 1.038 395 S N -1.024 114.691 115.700 0.026 0.000 2.576 395 S HA 0.070 4.540 4.470 -0.000 0.000 0.276 395 S C 1.378 175.991 174.600 0.021 0.000 1.339 395 S CA -0.086 58.127 58.200 0.022 0.000 1.039 395 S CB 0.039 63.251 63.200 0.019 0.000 0.902 395 S HN 0.535 nan 8.310 nan 0.000 0.516 396 T N 3.004 117.570 114.554 0.020 0.000 2.995 396 T HA 0.065 4.415 4.350 -0.000 0.000 0.269 396 T C 0.112 174.822 174.700 0.017 0.000 1.091 396 T CA 1.016 63.128 62.100 0.020 0.000 1.128 396 T CB -0.176 68.704 68.868 0.020 0.000 0.891 396 T HN 0.719 nan 8.240 nan 0.000 0.492 397 E N 2.243 122.453 120.200 0.016 0.000 3.037 397 E HA 0.238 4.587 4.350 -0.000 0.000 0.220 397 E C -2.597 174.011 176.600 0.013 0.000 1.142 397 E CA -1.555 54.853 56.400 0.014 0.000 0.888 397 E CB 1.177 30.885 29.700 0.012 0.000 1.329 397 E HN 0.328 nan 8.360 nan 0.000 0.409 398 P HA -0.022 nan 4.420 nan 0.000 0.271 398 P C -0.299 177.008 177.300 0.012 0.000 1.220 398 P CA -0.262 62.846 63.100 0.014 0.000 0.768 398 P CB 0.791 32.499 31.700 0.015 0.000 0.848 399 K N 3.281 123.688 120.400 0.012 0.000 2.504 399 K HA -0.113 4.207 4.320 -0.000 0.000 0.278 399 K C 0.462 177.068 176.600 0.009 0.000 1.025 399 K CA -0.077 56.216 56.287 0.010 0.000 1.093 399 K CB -0.093 32.413 32.500 0.010 0.000 0.873 399 K HN 0.334 nan 8.250 nan 0.000 0.483 400 N N 3.084 121.789 118.700 0.008 0.000 2.417 400 N HA -0.080 4.660 4.740 -0.000 0.000 0.272 400 N C 0.504 176.018 175.510 0.007 0.000 1.304 400 N CA 0.571 53.626 53.050 0.008 0.000 0.906 400 N CB 0.960 39.451 38.487 0.007 0.000 1.135 400 N HN 0.627 nan 8.380 nan 0.000 0.483 401 T N 0.895 115.453 114.554 0.007 0.000 3.057 401 T HA 0.051 4.401 4.350 -0.000 0.000 0.254 401 T C 0.730 175.434 174.700 0.006 0.000 1.094 401 T CA 0.550 62.654 62.100 0.007 0.000 1.088 401 T CB -0.159 68.714 68.868 0.008 0.000 0.934 401 T HN 0.616 nan 8.240 nan 0.000 0.497 402 S N 0.000 115.704 115.700 0.006 0.000 2.498 402 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 402 S CA 0.000 58.203 58.200 0.005 0.000 1.107 402 S CB 0.000 63.203 63.200 0.005 0.000 0.593 402 S HN 0.000 nan 8.310 nan 0.000 0.517