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 1iem_1_A DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.519 177.584 -0.108 0.000 1.274 4 A CA 0.000 52.048 52.037 0.018 0.000 0.836 4 A CB 0.000 19.048 19.000 0.080 0.000 0.831 5 P HA 0.040 nan 4.420 nan 0.000 0.264 5 P C 1.059 178.267 177.300 -0.153 0.000 1.179 5 P CA 0.197 63.171 63.100 -0.210 0.000 0.763 5 P CB 0.615 32.109 31.700 -0.343 0.000 0.806 6 Q N 1.888 121.638 119.800 -0.084 0.000 2.234 6 Q HA -0.278 4.050 4.340 -0.020 0.000 0.206 6 Q C 1.893 177.854 176.000 -0.064 0.000 0.980 6 Q CA 1.408 57.186 55.803 -0.042 0.000 0.869 6 Q CB -0.007 28.718 28.738 -0.023 0.000 0.912 6 Q HN 0.514 nan 8.270 nan 0.000 0.436 7 Q N 0.179 119.907 119.800 -0.120 0.000 2.020 7 Q HA -0.196 4.132 4.340 -0.020 0.000 0.202 7 Q C 2.021 177.927 176.000 -0.156 0.000 0.982 7 Q CA 1.682 57.405 55.803 -0.133 0.000 0.838 7 Q CB -0.114 28.520 28.738 -0.174 0.000 0.899 7 Q HN 0.508 nan 8.270 nan 0.000 0.423 8 I N 0.976 121.400 120.570 -0.243 0.000 2.113 8 I HA -0.325 3.833 4.170 -0.020 0.000 0.238 8 I C 2.471 178.518 176.117 -0.115 0.000 1.070 8 I CA 1.027 62.195 61.300 -0.219 0.000 1.332 8 I CB -0.673 37.138 38.000 -0.316 0.000 1.044 8 I HN 0.350 nan 8.210 nan 0.000 0.402 9 N N 1.078 119.778 118.700 -0.000 0.000 2.049 9 N HA -0.253 4.475 4.740 -0.020 0.000 0.198 9 N C 1.477 177.045 175.510 0.098 0.000 1.030 9 N CA 2.271 55.406 53.050 0.142 0.000 0.870 9 N CB -0.296 38.308 38.487 0.195 0.000 1.045 9 N HN 0.313 nan 8.380 nan 0.000 0.434 10 D N 0.500 120.930 120.400 0.050 0.000 2.097 10 D HA -0.125 4.503 4.640 -0.020 0.000 0.195 10 D C 1.996 178.299 176.300 0.004 0.000 0.989 10 D CA 0.483 54.512 54.000 0.049 0.000 0.827 10 D CB -0.464 40.345 40.800 0.015 0.000 0.966 10 D HN 0.284 nan 8.370 nan 0.000 0.456 11 I N 0.622 121.160 120.570 -0.054 0.000 2.179 11 I HA -0.222 3.936 4.170 -0.020 0.000 0.242 11 I C 2.217 178.270 176.117 -0.106 0.000 1.088 11 I CA 0.951 62.211 61.300 -0.067 0.000 1.357 11 I CB -0.381 37.572 38.000 -0.078 0.000 1.051 11 I HN -0.180 nan 8.210 nan 0.000 0.409 12 V N 0.745 120.525 119.914 -0.223 0.000 2.231 12 V HA -0.408 3.700 4.120 -0.020 0.000 0.250 12 V C 2.456 178.389 176.094 -0.268 0.000 1.058 12 V CA 2.726 64.803 62.300 -0.372 0.000 1.022 12 V CB -1.148 30.114 31.823 -0.934 0.000 0.640 12 V HN 0.549 nan 8.190 nan 0.000 0.445 13 H N -0.636 118.405 119.070 -0.048 0.000 2.423 13 H HA -0.039 4.505 4.556 -0.021 0.000 0.297 13 H C 2.493 177.827 175.328 0.011 0.000 1.075 13 H CA 1.332 57.423 56.048 0.072 0.000 1.342 13 H CB -0.065 29.770 29.762 0.121 0.000 1.395 13 H HN 0.298 nan 8.280 nan 0.000 0.530 14 R N -0.309 120.244 120.500 0.088 0.000 2.096 14 R HA -0.081 4.247 4.340 -0.020 0.000 0.235 14 R C 1.791 178.092 176.300 0.002 0.000 1.127 14 R CA 1.764 57.890 56.100 0.042 0.000 0.968 14 R CB -0.174 30.140 30.300 0.023 0.000 0.861 14 R HN 0.325 nan 8.270 nan 0.000 0.440 15 T N 1.233 115.769 114.554 -0.029 0.000 2.781 15 T HA 0.032 4.370 4.350 -0.020 0.000 0.252 15 T C 1.896 176.534 174.700 -0.105 0.000 1.039 15 T CA 0.561 62.633 62.100 -0.046 0.000 1.147 15 T CB 0.019 68.865 68.868 -0.038 0.000 0.865 15 T HN -0.011 nan 8.240 nan 0.000 0.423 16 I N 2.002 122.456 120.570 -0.194 0.000 2.286 16 I HA -0.118 4.040 4.170 -0.020 0.000 0.248 16 I C 2.622 178.487 176.117 -0.420 0.000 1.115 16 I CA 1.369 62.430 61.300 -0.398 0.000 1.392 16 I CB -1.911 35.617 38.000 -0.786 0.000 1.065 16 I HN 0.248 nan 8.210 nan 0.000 0.418 17 T N 2.121 116.525 114.554 -0.249 0.000 2.652 17 T HA -0.104 4.234 4.350 -0.020 0.000 0.267 17 T C -0.251 174.371 174.700 -0.129 0.000 1.039 17 T CA 1.929 63.936 62.100 -0.155 0.000 1.153 17 T CB -1.128 67.757 68.868 0.028 0.000 0.863 17 T HN 0.241 nan 8.240 nan 0.000 0.428 18 P HA 0.048 nan 4.420 nan 0.000 0.221 18 P C 1.491 178.734 177.300 -0.096 0.000 1.150 18 P CA 0.396 63.456 63.100 -0.066 0.000 0.800 18 P CB -0.093 31.585 31.700 -0.036 0.000 0.787 19 L N -0.566 120.572 121.223 -0.141 0.000 2.027 19 L HA -0.102 4.226 4.340 -0.020 0.000 0.206 19 L C 2.120 178.850 176.870 -0.233 0.000 1.074 19 L CA 1.813 56.552 54.840 -0.169 0.000 0.745 19 L CB -1.115 40.830 42.059 -0.191 0.000 0.898 19 L HN -0.150 nan 8.230 nan 0.000 0.433 20 I N -0.237 120.165 120.570 -0.281 0.000 2.286 20 I HA -0.264 3.894 4.170 -0.020 0.000 0.248 20 I C 2.570 178.594 176.117 -0.156 0.000 1.115 20 I CA 1.694 62.838 61.300 -0.260 0.000 1.392 20 I CB -0.434 37.395 38.000 -0.285 0.000 1.065 20 I HN 0.503 nan 8.210 nan 0.000 0.418 21 E N 0.587 120.716 120.200 -0.117 0.000 2.107 21 E HA -0.225 4.112 4.350 -0.020 0.000 0.191 21 E C 2.037 178.602 176.600 -0.057 0.000 0.982 21 E CA 0.908 57.268 56.400 -0.066 0.000 0.809 21 E CB 0.089 29.762 29.700 -0.045 0.000 0.756 21 E HN 0.441 nan 8.360 nan 0.000 0.459 22 Q N -0.034 119.727 119.800 -0.066 0.000 2.123 22 Q HA -0.056 4.271 4.340 -0.020 0.000 0.199 22 Q C 1.874 177.849 176.000 -0.040 0.000 0.966 22 Q CA 1.019 56.797 55.803 -0.042 0.000 0.845 22 Q CB 0.119 28.837 28.738 -0.033 0.000 0.907 22 Q HN 0.376 nan 8.270 nan 0.000 0.439 23 Q N 0.243 119.995 119.800 -0.080 0.000 2.319 23 Q HA 0.092 4.420 4.340 -0.020 0.000 0.202 23 Q C -0.217 175.744 176.000 -0.065 0.000 0.896 23 Q CA -0.047 55.715 55.803 -0.068 0.000 0.942 23 Q CB 0.484 29.122 28.738 -0.167 0.000 1.083 23 Q HN 0.291 nan 8.270 nan 0.000 0.510 24 K N 0.860 121.217 120.400 -0.072 0.000 3.148 24 K HA -0.172 4.136 4.320 -0.020 0.000 0.267 24 K C -0.531 176.036 176.600 -0.055 0.000 0.996 24 K CA 0.198 56.454 56.287 -0.052 0.000 0.737 24 K CB -1.757 30.727 32.500 -0.026 0.000 1.308 24 K HN 0.267 nan 8.250 nan 0.000 0.470 25 I N 0.906 121.417 120.570 -0.098 0.000 2.436 25 I HA -0.004 4.154 4.170 -0.020 0.000 0.289 25 I C -0.956 175.153 176.117 -0.013 0.000 1.083 25 I CA -2.003 59.250 61.300 -0.079 0.000 1.372 25 I CB 0.796 38.677 38.000 -0.197 0.000 1.408 25 I HN 0.048 nan 8.210 nan 0.000 0.516 26 P HA -0.060 nan 4.420 nan 0.000 0.214 26 P C 0.437 177.819 177.300 0.136 0.000 1.162 26 P CA 0.634 63.736 63.100 0.004 0.000 0.879 26 P CB 0.246 31.836 31.700 -0.183 0.000 0.786 27 G N -1.651 107.269 108.800 0.200 0.000 2.619 27 G HA2 0.714 4.662 3.960 -0.020 0.000 0.296 27 G HA3 0.714 4.662 3.960 -0.020 0.000 0.296 27 G C -1.796 173.347 174.900 0.405 0.000 1.334 27 G CA -0.430 44.851 45.100 0.302 0.000 0.934 27 G HN 0.102 nan 8.290 nan 0.000 0.476 28 M N 0.688 120.579 119.600 0.486 0.000 2.490 28 M HA 0.686 5.153 4.480 -0.020 0.000 0.286 28 M C -1.793 174.846 176.300 0.566 0.000 1.185 28 M CA -0.581 55.001 55.300 0.471 0.000 0.912 28 M CB 2.171 34.931 32.600 0.267 0.000 1.744 28 M HN 1.147 nan 8.290 nan 0.000 0.494 29 A N 3.012 126.041 122.820 0.348 0.000 2.393 29 A HA 0.857 5.165 4.320 -0.020 0.000 0.306 29 A C -1.836 175.946 177.584 0.331 0.000 1.050 29 A CA -0.620 51.621 52.037 0.340 0.000 0.724 29 A CB 1.898 21.015 19.000 0.195 0.000 1.248 29 A HN 0.641 nan 8.150 nan 0.000 0.424 30 V N 0.977 121.186 119.914 0.492 0.000 2.656 30 V HA 0.803 4.911 4.120 -0.020 0.000 0.307 30 V C 0.082 176.467 176.094 0.485 0.000 1.051 30 V CA -0.204 62.380 62.300 0.472 0.000 0.893 30 V CB 1.861 34.023 31.823 0.565 0.000 0.999 30 V HN 1.440 nan 8.190 nan 0.000 0.426 31 A N 4.063 127.099 122.820 0.360 0.000 2.343 31 A HA 0.855 5.163 4.320 -0.020 0.000 0.308 31 A C -1.109 176.600 177.584 0.208 0.000 1.092 31 A CA -0.528 51.662 52.037 0.256 0.000 0.751 31 A CB 1.688 20.831 19.000 0.237 0.000 1.203 31 A HN 0.660 nan 8.150 nan 0.000 0.452 32 V N 3.883 123.928 119.914 0.219 0.000 2.357 32 V HA 0.304 4.411 4.120 -0.020 0.000 0.284 32 V C -0.814 175.393 176.094 0.188 0.000 1.018 32 V CA -0.229 62.203 62.300 0.219 0.000 0.841 32 V CB 1.137 33.130 31.823 0.284 0.000 0.991 32 V HN 0.713 nan 8.190 nan 0.000 0.437 33 I N 6.138 126.775 120.570 0.112 0.000 2.291 33 I HA 0.285 4.443 4.170 -0.020 0.000 0.290 33 I C -0.482 175.723 176.117 0.146 0.000 1.050 33 I CA -0.173 61.171 61.300 0.074 0.000 1.245 33 I CB 0.239 38.219 38.000 -0.033 0.000 1.405 33 I HN 0.570 nan 8.210 nan 0.000 0.478 34 Y N 5.745 126.118 120.300 0.122 0.000 2.334 34 Y HA 0.342 4.880 4.550 -0.020 0.000 0.336 34 Y C 0.471 176.415 175.900 0.073 0.000 0.960 34 Y CA -0.570 57.581 58.100 0.085 0.000 1.164 34 Y CB 0.736 39.248 38.460 0.087 0.000 1.155 34 Y HN 0.653 nan 8.280 nan 0.000 0.478 35 Q N 4.520 124.107 119.800 -0.355 0.000 2.468 35 Q HA -0.263 4.065 4.340 -0.020 0.000 0.289 35 Q C 1.057 176.990 176.000 -0.111 0.000 1.299 35 Q CA 0.981 56.616 55.803 -0.280 0.000 0.838 35 Q CB -1.809 26.752 28.738 -0.296 0.000 1.195 35 Q HN 1.353 nan 8.270 nan 0.000 0.456 36 G N -2.468 106.270 108.800 -0.102 0.000 2.184 36 G HA2 -0.374 3.574 3.960 -0.020 0.000 0.264 36 G HA3 -0.374 3.574 3.960 -0.020 0.000 0.264 36 G C 0.163 175.019 174.900 -0.074 0.000 0.975 36 G CA 0.947 45.992 45.100 -0.093 0.000 0.642 36 G HN 0.852 nan 8.290 nan 0.000 0.536 37 K N 1.121 121.501 120.400 -0.033 0.000 2.164 37 K HA 0.888 5.196 4.320 -0.020 0.000 0.258 37 K C -2.627 173.823 176.600 -0.250 0.000 0.951 37 K CA -1.390 54.819 56.287 -0.131 0.000 0.844 37 K CB 2.026 34.465 32.500 -0.101 0.000 1.099 37 K HN 0.268 nan 8.250 nan 0.000 0.435 38 P HA 0.505 nan 4.420 nan 0.000 0.290 38 P C -1.441 175.219 177.300 -1.065 0.000 1.275 38 P CA -0.465 62.284 63.100 -0.586 0.000 0.841 38 P CB 0.656 32.051 31.700 -0.509 0.000 1.042 39 Y N 0.799 120.752 120.300 -0.579 0.000 2.373 39 Y HA 0.417 4.955 4.550 -0.021 0.000 0.336 39 Y C -0.149 175.306 175.900 -0.741 0.000 0.979 39 Y CA -0.445 57.318 58.100 -0.560 0.000 1.080 39 Y CB 1.800 40.141 38.460 -0.199 0.000 1.190 39 Y HN 0.281 nan 8.280 nan 0.000 0.446 40 Y N 2.749 122.799 120.300 -0.417 0.000 2.420 40 Y HA 0.735 5.274 4.550 -0.020 0.000 0.334 40 Y C -0.886 174.445 175.900 -0.949 0.000 1.094 40 Y CA -1.253 56.582 58.100 -0.442 0.000 1.126 40 Y CB 1.507 39.836 38.460 -0.219 0.000 1.217 40 Y HN 0.378 nan 8.280 nan 0.000 0.462 41 F N -0.076 119.915 119.950 0.069 0.000 2.591 41 F HA 0.650 5.165 4.527 -0.021 0.000 0.309 41 F C -0.432 175.131 175.800 -0.395 0.000 1.098 41 F CA -0.983 56.834 58.000 -0.305 0.000 0.937 41 F CB 2.497 41.204 39.000 -0.488 0.000 1.250 41 F HN 0.399 nan 8.300 nan 0.000 0.447 42 T N -1.681 112.583 114.554 -0.484 0.000 2.909 42 T HA 0.653 4.991 4.350 -0.020 0.000 0.299 42 T C -1.616 172.874 174.700 -0.349 0.000 1.073 42 T CA -0.753 61.232 62.100 -0.191 0.000 0.999 42 T CB 1.861 70.719 68.868 -0.017 0.000 1.098 42 T HN 0.624 nan 8.240 nan 0.000 0.477 43 W N 0.276 121.664 121.300 0.147 0.000 3.031 43 W HA 0.522 5.169 4.660 -0.021 0.000 0.337 43 W C 0.933 177.477 176.519 0.041 0.000 1.187 43 W CA -0.182 57.218 57.345 0.093 0.000 1.166 43 W CB 1.647 31.168 29.460 0.103 0.000 1.437 43 W HN 1.372 nan 8.180 nan 0.000 0.551 44 G N 1.158 110.072 108.800 0.190 0.000 2.574 44 G HA2 -0.322 3.626 3.960 -0.020 0.000 0.282 44 G HA3 -0.322 3.626 3.960 -0.020 0.000 0.282 44 G C -1.411 173.321 174.900 -0.280 0.000 1.257 44 G CA 0.194 45.293 45.100 -0.001 0.000 0.956 44 G HN 0.482 nan 8.290 nan 0.000 0.560 45 Y N 0.079 120.454 120.300 0.126 0.000 2.409 45 Y HA 0.604 5.144 4.550 -0.017 0.000 0.339 45 Y C 1.344 177.333 175.900 0.149 0.000 1.033 45 Y CA 0.079 58.245 58.100 0.110 0.000 1.094 45 Y CB 1.974 40.462 38.460 0.046 0.000 1.210 45 Y HN 0.760 nan 8.280 nan 0.000 0.456 46 A N 0.682 123.677 122.820 0.291 0.000 1.997 46 A HA 0.047 4.355 4.320 -0.020 0.000 0.212 46 A C 0.064 177.876 177.584 0.379 0.000 1.178 46 A CA 1.017 53.195 52.037 0.235 0.000 0.698 46 A CB 0.180 19.259 19.000 0.131 0.000 0.842 46 A HN 0.646 nan 8.150 nan 0.000 0.458 47 D N -0.830 119.817 120.400 0.411 0.000 2.479 47 D HA 0.369 4.997 4.640 -0.020 0.000 0.246 47 D C 0.550 177.014 176.300 0.273 0.000 1.336 47 D CA -0.426 53.841 54.000 0.445 0.000 0.967 47 D CB 0.823 41.873 40.800 0.417 0.000 1.275 47 D HN 0.133 nan 8.370 nan 0.000 0.577 48 I N 2.201 122.866 120.570 0.157 0.000 2.202 48 I HA -0.195 3.963 4.170 -0.020 0.000 0.242 48 I C 2.452 178.475 176.117 -0.157 0.000 1.091 48 I CA 1.075 62.275 61.300 -0.168 0.000 1.368 48 I CB -0.141 37.675 38.000 -0.306 0.000 1.058 48 I HN 0.436 nan 8.210 nan 0.000 0.410 49 A N 1.240 124.024 122.820 -0.060 0.000 1.851 49 A HA -0.220 4.088 4.320 -0.020 0.000 0.216 49 A C 2.102 179.660 177.584 -0.042 0.000 1.195 49 A CA 1.678 53.670 52.037 -0.076 0.000 0.622 49 A CB -0.514 18.427 19.000 -0.098 0.000 0.831 49 A HN 0.354 nan 8.150 nan 0.000 0.444 50 K N -0.321 120.091 120.400 0.020 0.000 2.546 50 K HA 0.107 4.415 4.320 -0.020 0.000 0.198 50 K C -0.401 176.250 176.600 0.085 0.000 1.028 50 K CA 0.226 56.547 56.287 0.056 0.000 1.150 50 K CB -0.016 32.543 32.500 0.099 0.000 0.876 50 K HN 0.472 nan 8.250 nan 0.000 0.508 51 K N 1.188 121.620 120.400 0.053 0.000 2.975 51 K HA -0.187 4.121 4.320 -0.020 0.000 0.257 51 K C -0.655 176.154 176.600 0.348 0.000 1.005 51 K CA 0.649 57.019 56.287 0.139 0.000 0.738 51 K CB -0.947 31.613 32.500 0.101 0.000 1.236 51 K HN 0.228 nan 8.250 nan 0.000 0.483 52 Q N 0.523 120.523 119.800 0.335 0.000 2.294 52 Q HA 0.217 4.545 4.340 -0.020 0.000 0.257 52 Q C -2.086 174.073 176.000 0.265 0.000 0.955 52 Q CA -1.835 54.124 55.803 0.260 0.000 0.936 52 Q CB 0.951 29.814 28.738 0.209 0.000 1.188 52 Q HN 0.154 nan 8.270 nan 0.000 0.420 53 P HA 0.140 nan 4.420 nan 0.000 0.276 53 P C -0.229 177.072 177.300 0.003 0.000 1.244 53 P CA -0.435 62.598 63.100 -0.112 0.000 0.801 53 P CB 1.047 32.661 31.700 -0.143 0.000 1.006 54 V N 1.969 121.893 119.914 0.016 0.000 2.614 54 V HA 0.305 4.413 4.120 -0.020 0.000 0.291 54 V C 1.172 177.321 176.094 0.091 0.000 1.049 54 V CA 0.634 63.009 62.300 0.126 0.000 1.038 54 V CB 0.594 32.585 31.823 0.280 0.000 0.980 54 V HN 0.907 nan 8.190 nan 0.000 0.481 55 T N 1.237 115.851 114.554 0.101 0.000 2.804 55 T HA 0.351 4.689 4.350 -0.020 0.000 0.290 55 T C 0.373 175.104 174.700 0.051 0.000 1.099 55 T CA -0.743 61.382 62.100 0.041 0.000 1.011 55 T CB 1.719 70.590 68.868 0.005 0.000 1.291 55 T HN 0.439 nan 8.240 nan 0.000 0.523 56 Q N -0.446 119.323 119.800 -0.051 0.000 2.436 56 Q HA -0.009 4.319 4.340 -0.020 0.000 0.209 56 Q C 1.275 177.204 176.000 -0.119 0.000 0.965 56 Q CA 0.923 56.637 55.803 -0.148 0.000 0.910 56 Q CB -0.085 28.444 28.738 -0.348 0.000 0.980 56 Q HN 0.504 nan 8.270 nan 0.000 0.491 57 Q N -0.501 119.260 119.800 -0.065 0.000 2.282 57 Q HA 0.096 4.424 4.340 -0.020 0.000 0.206 57 Q C -0.127 175.890 176.000 0.028 0.000 0.878 57 Q CA 0.317 56.081 55.803 -0.066 0.000 0.944 57 Q CB 0.923 29.614 28.738 -0.077 0.000 1.100 57 Q HN 0.083 nan 8.270 nan 0.000 0.509 58 T N 0.958 115.564 114.554 0.086 0.000 2.888 58 T HA 0.235 4.573 4.350 -0.020 0.000 0.301 58 T C -0.014 174.771 174.700 0.142 0.000 1.001 58 T CA -0.003 62.146 62.100 0.082 0.000 1.147 58 T CB 0.317 69.215 68.868 0.050 0.000 0.931 58 T HN 0.126 nan 8.240 nan 0.000 0.541 59 L N 3.859 125.114 121.223 0.054 0.000 2.292 59 L HA 0.531 4.859 4.340 -0.020 0.000 0.284 59 L C -0.598 176.294 176.870 0.037 0.000 1.065 59 L CA -0.539 54.347 54.840 0.077 0.000 0.806 59 L CB 0.542 42.565 42.059 -0.059 0.000 1.175 59 L HN 0.539 nan 8.230 nan 0.000 0.431 60 F N 0.563 120.549 119.950 0.060 0.000 2.561 60 F HA 0.365 4.881 4.527 -0.019 0.000 0.321 60 F C 0.377 175.974 175.800 -0.338 0.000 1.065 60 F CA -0.883 57.145 58.000 0.047 0.000 0.934 60 F CB 1.499 40.662 39.000 0.272 0.000 1.215 60 F HN 0.371 nan 8.300 nan 0.000 0.471 61 E N 2.114 121.822 120.200 -0.819 0.000 2.290 61 E HA 0.160 4.498 4.350 -0.020 0.000 0.277 61 E C 0.567 177.085 176.600 -0.137 0.000 1.035 61 E CA -0.007 56.066 56.400 -0.544 0.000 0.873 61 E CB 0.762 30.014 29.700 -0.746 0.000 1.029 61 E HN 0.610 nan 8.360 nan 0.000 0.419 62 L N 2.998 124.214 121.223 -0.011 0.000 2.313 62 L HA 0.052 4.380 4.340 -0.020 0.000 0.214 62 L C 1.391 178.352 176.870 0.152 0.000 1.119 62 L CA 0.614 55.514 54.840 0.101 0.000 0.809 62 L CB -0.727 41.389 42.059 0.096 0.000 0.933 62 L HN 0.922 nan 8.230 nan 0.000 0.449 63 G N 0.032 108.923 108.800 0.153 0.000 2.550 63 G HA2 -0.375 3.573 3.960 -0.020 0.000 0.277 63 G HA3 -0.375 3.573 3.960 -0.020 0.000 0.277 63 G C 0.767 175.819 174.900 0.252 0.000 1.190 63 G CA 0.249 45.478 45.100 0.215 0.000 0.971 63 G HN 0.150 nan 8.290 nan 0.000 0.559 64 S N -0.178 115.672 115.700 0.250 0.000 2.474 64 S HA 0.032 4.490 4.470 -0.020 0.000 0.235 64 S C 2.446 177.175 174.600 0.216 0.000 0.997 64 S CA 1.369 59.732 58.200 0.272 0.000 0.949 64 S CB -0.171 63.225 63.200 0.327 0.000 0.766 64 S HN 0.815 nan 8.310 nan 0.000 0.517 65 V N 1.710 121.737 119.914 0.188 0.000 2.828 65 V HA -0.161 3.947 4.120 -0.020 0.000 0.260 65 V C 2.124 178.320 176.094 0.170 0.000 1.101 65 V CA 1.522 63.909 62.300 0.145 0.000 1.123 65 V CB -0.879 31.055 31.823 0.184 0.000 0.704 65 V HN 0.451 nan 8.190 nan 0.000 0.493 66 S N -0.300 115.527 115.700 0.213 0.000 2.419 66 S HA -0.215 4.243 4.470 -0.020 0.000 0.235 66 S C 1.901 176.641 174.600 0.235 0.000 1.019 66 S CA 1.232 59.584 58.200 0.254 0.000 0.982 66 S CB -0.262 63.027 63.200 0.148 0.000 0.789 66 S HN 0.657 nan 8.310 nan 0.000 0.490 67 K N 0.968 121.464 120.400 0.160 0.000 2.280 67 K HA -0.089 4.219 4.320 -0.020 0.000 0.202 67 K C 2.467 179.090 176.600 0.038 0.000 1.047 67 K CA 1.549 57.913 56.287 0.128 0.000 0.942 67 K CB -0.447 32.152 32.500 0.165 0.000 0.739 67 K HN 0.614 nan 8.250 nan 0.000 0.457 68 T N -0.976 113.500 114.554 -0.130 0.000 2.777 68 T HA -0.119 4.219 4.350 -0.020 0.000 0.266 68 T C 1.781 176.480 174.700 -0.001 0.000 1.040 68 T CA 0.887 62.746 62.100 -0.401 0.000 1.141 68 T CB -0.456 67.850 68.868 -0.936 0.000 0.868 68 T HN 0.047 nan 8.240 nan 0.000 0.444 69 F N 2.098 122.090 119.950 0.070 0.000 2.186 69 F HA 0.018 4.533 4.527 -0.020 0.000 0.299 69 F C 3.002 178.851 175.800 0.082 0.000 1.090 69 F CA 1.355 59.351 58.000 -0.008 0.000 1.307 69 F CB -0.987 37.888 39.000 -0.208 0.000 1.019 69 F HN 0.157 nan 8.300 nan 0.000 0.489 70 T N -0.625 114.107 114.554 0.298 0.000 2.737 70 T HA -0.108 4.230 4.350 -0.020 0.000 0.265 70 T C 2.395 177.263 174.700 0.280 0.000 1.038 70 T CA 1.376 63.657 62.100 0.302 0.000 1.144 70 T CB -1.032 68.004 68.868 0.280 0.000 0.866 70 T HN 0.425 nan 8.240 nan 0.000 0.434 71 G N 1.218 110.162 108.800 0.240 0.000 2.446 71 G HA2 -0.197 3.751 3.960 -0.020 0.000 0.217 71 G HA3 -0.197 3.751 3.960 -0.020 0.000 0.217 71 G C 1.699 176.759 174.900 0.267 0.000 1.168 71 G CA 1.038 46.287 45.100 0.248 0.000 0.771 71 G HN 0.438 nan 8.290 nan 0.000 0.551 72 V N 0.666 120.743 119.914 0.272 0.000 2.427 72 V HA -0.109 3.999 4.120 -0.020 0.000 0.248 72 V C 2.662 178.871 176.094 0.192 0.000 1.051 72 V CA 1.567 64.032 62.300 0.276 0.000 1.048 72 V CB -0.409 31.663 31.823 0.416 0.000 0.666 72 V HN 0.350 nan 8.190 nan 0.000 0.456 73 L N 1.383 122.693 121.223 0.146 0.000 2.093 73 L HA 0.021 4.349 4.340 -0.020 0.000 0.208 73 L C 2.291 179.161 176.870 0.001 0.000 1.085 73 L CA 2.341 57.187 54.840 0.011 0.000 0.755 73 L CB -1.153 40.833 42.059 -0.123 0.000 0.904 73 L HN 0.252 nan 8.230 nan 0.000 0.435 74 G N -1.117 107.730 108.800 0.079 0.000 2.408 74 G HA2 -0.165 3.782 3.960 -0.020 0.000 0.217 74 G HA3 -0.165 3.782 3.960 -0.020 0.000 0.217 74 G C 1.508 176.491 174.900 0.139 0.000 1.150 74 G CA 0.485 45.622 45.100 0.061 0.000 0.776 74 G HN 0.574 nan 8.290 nan 0.000 0.542 75 G N 0.613 109.520 108.800 0.178 0.000 2.422 75 G HA2 -0.212 3.736 3.960 -0.020 0.000 0.218 75 G HA3 -0.212 3.736 3.960 -0.020 0.000 0.218 75 G C 1.414 176.367 174.900 0.088 0.000 1.146 75 G CA 1.318 46.507 45.100 0.149 0.000 0.769 75 G HN 0.507 nan 8.290 nan 0.000 0.547 76 D N 0.502 120.941 120.400 0.064 0.000 2.117 76 D HA 0.022 4.650 4.640 -0.020 0.000 0.197 76 D C 2.664 178.962 176.300 -0.003 0.000 0.987 76 D CA 1.412 55.428 54.000 0.026 0.000 0.829 76 D CB -0.225 40.580 40.800 0.008 0.000 0.961 76 D HN 0.241 nan 8.370 nan 0.000 0.460 77 A N -0.049 122.754 122.820 -0.027 0.000 1.902 77 A HA -0.116 4.192 4.320 -0.020 0.000 0.217 77 A C 2.263 179.833 177.584 -0.024 0.000 1.181 77 A CA 1.210 53.211 52.037 -0.060 0.000 0.623 77 A CB -0.778 18.143 19.000 -0.132 0.000 0.818 77 A HN 0.368 nan 8.150 nan 0.000 0.443 78 I N -0.054 120.525 120.570 0.015 0.000 2.142 78 I HA -0.273 3.885 4.170 -0.020 0.000 0.240 78 I C 2.951 179.088 176.117 0.034 0.000 1.078 78 I CA 1.227 62.551 61.300 0.040 0.000 1.343 78 I CB -0.348 37.699 38.000 0.079 0.000 1.046 78 I HN 0.318 nan 8.210 nan 0.000 0.405 79 A N 0.560 123.401 122.820 0.034 0.000 1.978 79 A HA -0.225 4.083 4.320 -0.020 0.000 0.220 79 A C 2.340 179.932 177.584 0.014 0.000 1.170 79 A CA 1.676 53.729 52.037 0.026 0.000 0.636 79 A CB -0.648 18.368 19.000 0.026 0.000 0.810 79 A HN 0.365 nan 8.150 nan 0.000 0.448 80 R N -1.665 118.837 120.500 0.004 0.000 2.307 80 R HA 0.151 4.479 4.340 -0.020 0.000 0.199 80 R C 1.387 177.689 176.300 0.002 0.000 1.000 80 R CA 0.574 56.672 56.100 -0.004 0.000 1.023 80 R CB -0.176 30.112 30.300 -0.019 0.000 0.908 80 R HN 0.733 nan 8.270 nan 0.000 0.473 81 G N 0.871 109.678 108.800 0.012 0.000 2.159 81 G HA2 -0.312 3.635 3.960 -0.020 0.000 0.256 81 G HA3 -0.312 3.635 3.960 -0.020 0.000 0.256 81 G C 0.569 175.486 174.900 0.028 0.000 0.977 81 G CA 0.515 45.628 45.100 0.022 0.000 0.652 81 G HN 0.455 nan 8.290 nan 0.000 0.531 82 E N -0.435 119.771 120.200 0.010 0.000 2.158 82 E HA 0.216 4.554 4.350 -0.020 0.000 0.191 82 E C 1.565 178.185 176.600 0.033 0.000 0.982 82 E CA 1.179 57.584 56.400 0.009 0.000 0.823 82 E CB 0.169 29.845 29.700 -0.040 0.000 0.766 82 E HN 0.908 nan 8.360 nan 0.000 0.468 83 I N -2.814 117.758 120.570 0.004 0.000 3.174 83 I HA 0.501 4.659 4.170 -0.020 0.000 0.313 83 I C -1.290 174.878 176.117 0.085 0.000 1.155 83 I CA -1.263 60.051 61.300 0.024 0.000 0.977 83 I CB 2.307 40.172 38.000 -0.224 0.000 1.248 83 I HN -0.358 nan 8.210 nan 0.000 0.453 84 K N 2.216 122.703 120.400 0.145 0.000 2.468 84 K HA 0.478 4.786 4.320 -0.020 0.000 0.252 84 K C -0.021 176.659 176.600 0.134 0.000 0.932 84 K CA -0.754 55.607 56.287 0.124 0.000 0.794 84 K CB 2.945 35.515 32.500 0.117 0.000 1.241 84 K HN 0.626 nan 8.250 nan 0.000 0.428 85 L N 1.049 122.329 121.223 0.096 0.000 2.362 85 L HA -0.158 4.170 4.340 -0.020 0.000 0.219 85 L C 1.971 178.866 176.870 0.041 0.000 1.134 85 L CA 1.304 56.178 54.840 0.057 0.000 0.807 85 L CB -0.224 41.818 42.059 -0.028 0.000 0.927 85 L HN 0.686 nan 8.230 nan 0.000 0.447 86 S N -2.779 112.956 115.700 0.060 0.000 2.527 86 S HA 0.011 4.469 4.470 -0.020 0.000 0.222 86 S C 0.554 175.207 174.600 0.088 0.000 0.985 86 S CA -0.361 57.869 58.200 0.051 0.000 0.921 86 S CB -0.328 62.901 63.200 0.048 0.000 0.772 86 S HN 0.210 nan 8.310 nan 0.000 0.529 87 D N 4.486 124.967 120.400 0.136 0.000 2.424 87 D HA 0.257 4.884 4.640 -0.020 0.000 0.244 87 D C -2.300 174.109 176.300 0.182 0.000 1.134 87 D CA -1.404 52.697 54.000 0.168 0.000 0.881 87 D CB 0.599 41.575 40.800 0.294 0.000 1.191 87 D HN 0.232 nan 8.370 nan 0.000 0.445 88 P HA 0.040 nan 4.420 nan 0.000 0.274 88 P C 0.582 178.012 177.300 0.217 0.000 1.231 88 P CA -0.281 62.928 63.100 0.181 0.000 0.790 88 P CB 0.738 32.523 31.700 0.141 0.000 0.951 89 T N 0.590 115.313 114.554 0.282 0.000 2.737 89 T HA -0.158 4.180 4.350 -0.020 0.000 0.269 89 T C 1.730 176.545 174.700 0.193 0.000 1.040 89 T CA 2.602 64.870 62.100 0.281 0.000 1.142 89 T CB -1.153 67.910 68.868 0.325 0.000 0.861 89 T HN 0.661 nan 8.240 nan 0.000 0.456 90 T N 0.458 115.096 114.554 0.140 0.000 2.977 90 T HA -0.046 4.292 4.350 -0.020 0.000 0.271 90 T C 1.730 176.432 174.700 0.003 0.000 1.105 90 T CA 1.125 63.262 62.100 0.061 0.000 1.116 90 T CB -0.286 68.615 68.868 0.054 0.000 0.878 90 T HN 0.440 nan 8.240 nan 0.000 0.509 91 K N -0.007 120.343 120.400 -0.082 0.000 2.148 91 K HA -0.075 4.232 4.320 -0.020 0.000 0.204 91 K C 1.060 177.380 176.600 -0.466 0.000 1.050 91 K CA 1.037 57.135 56.287 -0.315 0.000 0.942 91 K CB -0.142 32.053 32.500 -0.509 0.000 0.724 91 K HN 0.504 nan 8.250 nan 0.000 0.446 92 Y N -2.206 118.130 120.300 0.060 0.000 2.458 92 Y HA 0.119 4.657 4.550 -0.020 0.000 0.256 92 Y C 0.066 176.015 175.900 0.081 0.000 1.159 92 Y CA -0.347 57.770 58.100 0.027 0.000 1.261 92 Y CB 0.580 39.023 38.460 -0.028 0.000 1.119 92 Y HN 0.139 nan 8.280 nan 0.000 0.524 93 W N 3.180 124.461 121.300 -0.031 0.000 1.608 93 W HA 0.371 5.019 4.660 -0.021 0.000 0.308 93 W C -2.315 174.145 176.519 -0.098 0.000 0.925 93 W CA -3.249 54.048 57.345 -0.081 0.000 1.614 93 W CB 0.751 30.116 29.460 -0.158 0.000 1.796 93 W HN -0.168 nan 8.180 nan 0.000 0.407 94 P HA -0.206 nan 4.420 nan 0.000 0.223 94 P C 0.770 178.033 177.300 -0.061 0.000 1.144 94 P CA 1.624 64.732 63.100 0.013 0.000 0.783 94 P CB 0.500 32.212 31.700 0.020 0.000 0.771 95 E N -0.303 119.835 120.200 -0.104 0.000 2.347 95 E HA 0.019 4.357 4.350 -0.020 0.000 0.196 95 E C 0.903 177.246 176.600 -0.428 0.000 1.008 95 E CA 0.207 56.469 56.400 -0.230 0.000 0.852 95 E CB -0.636 28.953 29.700 -0.185 0.000 0.783 95 E HN 0.318 nan 8.360 nan 0.000 0.505 96 L N 1.978 122.849 121.223 -0.587 0.000 2.401 96 L HA 0.078 4.406 4.340 -0.020 0.000 0.283 96 L C 0.813 177.532 176.870 -0.251 0.000 1.151 96 L CA 0.091 54.562 54.840 -0.616 0.000 0.942 96 L CB 0.211 41.743 42.059 -0.878 0.000 1.283 96 L HN 0.194 nan 8.230 nan 0.000 0.442 97 T N -1.573 112.895 114.554 -0.143 0.000 3.040 97 T HA 0.225 4.563 4.350 -0.020 0.000 0.250 97 T C 0.889 175.622 174.700 0.056 0.000 1.058 97 T CA 0.009 62.093 62.100 -0.027 0.000 0.988 97 T CB 0.368 69.215 68.868 -0.035 0.000 0.993 97 T HN 0.443 nan 8.240 nan 0.000 0.519 98 A N 1.447 124.335 122.820 0.113 0.000 2.540 98 A HA 0.540 4.848 4.320 -0.020 0.000 0.239 98 A C 1.780 179.484 177.584 0.200 0.000 1.061 98 A CA 0.306 52.444 52.037 0.167 0.000 0.758 98 A CB -0.101 19.047 19.000 0.246 0.000 0.991 98 A HN 0.617 nan 8.150 nan 0.000 0.502 99 K N 1.763 122.220 120.400 0.094 0.000 2.360 99 K HA -0.162 4.146 4.320 -0.020 0.000 0.201 99 K C 1.714 178.333 176.600 0.032 0.000 1.046 99 K CA 1.859 58.184 56.287 0.064 0.000 0.940 99 K CB -0.668 31.843 32.500 0.018 0.000 0.748 99 K HN 0.971 nan 8.250 nan 0.000 0.465 100 Q N -1.464 118.317 119.800 -0.031 0.000 2.437 100 Q HA -0.139 4.189 4.340 -0.020 0.000 0.210 100 Q C 1.248 177.109 176.000 -0.232 0.000 0.972 100 Q CA 1.067 56.755 55.803 -0.193 0.000 0.903 100 Q CB -0.441 28.069 28.738 -0.380 0.000 0.967 100 Q HN 0.823 nan 8.270 nan 0.000 0.486 101 W N 1.902 123.261 121.300 0.099 0.000 2.905 101 W HA 0.158 4.806 4.660 -0.021 0.000 0.251 101 W C 0.170 176.756 176.519 0.112 0.000 1.305 101 W CA -0.567 56.858 57.345 0.133 0.000 1.465 101 W CB 0.152 29.674 29.460 0.104 0.000 1.122 101 W HN -0.019 nan 8.180 nan 0.000 0.659 102 N N 0.809 119.628 118.700 0.198 0.000 2.447 102 N HA 0.183 4.911 4.740 -0.020 0.000 0.263 102 N C 1.164 176.760 175.510 0.144 0.000 1.226 102 N CA 1.618 54.761 53.050 0.156 0.000 0.906 102 N CB 0.764 39.310 38.487 0.098 0.000 1.060 102 N HN 0.249 nan 8.380 nan 0.000 0.468 103 G N 1.679 110.584 108.800 0.176 0.000 2.195 103 G HA2 -0.263 3.685 3.960 -0.020 0.000 0.246 103 G HA3 -0.263 3.685 3.960 -0.020 0.000 0.246 103 G C 0.121 175.199 174.900 0.295 0.000 0.984 103 G CA -0.346 44.872 45.100 0.197 0.000 0.633 103 G HN 0.562 nan 8.290 nan 0.000 0.525 104 I N 3.042 123.803 120.570 0.318 0.000 2.301 104 I HA 0.362 4.520 4.170 -0.020 0.000 0.292 104 I C 1.233 177.641 176.117 0.484 0.000 1.046 104 I CA 0.141 61.709 61.300 0.448 0.000 1.282 104 I CB 1.021 39.228 38.000 0.345 0.000 1.409 104 I HN 0.311 nan 8.210 nan 0.000 0.484 105 T N 3.004 117.858 114.554 0.500 0.000 2.897 105 T HA 0.429 4.767 4.350 -0.020 0.000 0.278 105 T C 1.213 176.034 174.700 0.201 0.000 0.981 105 T CA -0.837 61.393 62.100 0.217 0.000 0.973 105 T CB 1.445 70.303 68.868 -0.017 0.000 1.092 105 T HN 0.404 nan 8.240 nan 0.000 0.543 106 L N 0.204 121.536 121.223 0.182 0.000 2.141 106 L HA 0.010 4.338 4.340 -0.020 0.000 0.209 106 L C 2.503 179.371 176.870 -0.003 0.000 1.094 106 L CA 0.721 55.694 54.840 0.222 0.000 0.763 106 L CB -0.696 41.556 42.059 0.322 0.000 0.908 106 L HN 0.593 nan 8.230 nan 0.000 0.437 107 L N -0.301 120.863 121.223 -0.098 0.000 2.012 107 L HA -0.255 4.073 4.340 -0.020 0.000 0.210 107 L C 2.383 179.193 176.870 -0.100 0.000 1.073 107 L CA 1.974 56.682 54.840 -0.220 0.000 0.748 107 L CB -0.664 41.274 42.059 -0.201 0.000 0.891 107 L HN 0.235 nan 8.230 nan 0.000 0.431 108 H N -0.925 118.203 119.070 0.096 0.000 2.290 108 H HA -0.187 4.357 4.556 -0.020 0.000 0.298 108 H C 2.248 177.566 175.328 -0.017 0.000 1.087 108 H CA 1.854 57.952 56.048 0.084 0.000 1.291 108 H CB -0.251 29.588 29.762 0.128 0.000 1.369 108 H HN 0.321 nan 8.280 nan 0.000 0.492 109 L N 0.183 121.487 121.223 0.134 0.000 2.012 109 L HA -0.202 4.126 4.340 -0.020 0.000 0.210 109 L C 2.893 179.669 176.870 -0.157 0.000 1.073 109 L CA 0.874 55.755 54.840 0.069 0.000 0.748 109 L CB -0.575 41.593 42.059 0.181 0.000 0.891 109 L HN 0.357 nan 8.230 nan 0.000 0.431 110 A N -0.188 122.370 122.820 -0.437 0.000 1.978 110 A HA -0.190 4.118 4.320 -0.020 0.000 0.220 110 A C 2.119 179.264 177.584 -0.730 0.000 1.170 110 A CA 2.198 53.722 52.037 -0.855 0.000 0.636 110 A CB -0.752 17.259 19.000 -1.648 0.000 0.810 110 A HN 0.541 nan 8.150 nan 0.000 0.448 111 T N -6.203 108.046 114.554 -0.509 0.000 3.174 111 T HA 0.333 4.671 4.350 -0.020 0.000 0.269 111 T C 0.260 174.759 174.700 -0.335 0.000 1.017 111 T CA 0.237 62.072 62.100 -0.442 0.000 0.899 111 T CB -0.799 68.121 68.868 0.087 0.000 1.077 111 T HN 0.738 nan 8.240 nan 0.000 0.552 112 Y N 0.887 121.175 120.300 -0.020 0.000 3.929 112 Y HA -0.269 4.269 4.550 -0.020 0.000 0.225 112 Y C 1.016 176.879 175.900 -0.062 0.000 1.200 112 Y CA 0.520 58.607 58.100 -0.022 0.000 1.791 112 Y CB -3.005 35.454 38.460 -0.001 0.000 1.561 112 Y HN 0.593 nan 8.280 nan 0.000 0.657 113 T N -4.226 110.323 114.554 -0.009 0.000 3.266 113 T HA 0.696 5.033 4.350 -0.020 0.000 0.278 113 T C 1.213 175.852 174.700 -0.102 0.000 1.010 113 T CA 0.074 62.083 62.100 -0.153 0.000 0.909 113 T CB 0.828 69.366 68.868 -0.551 0.000 1.122 113 T HN 0.489 nan 8.240 nan 0.000 0.536 114 A N 1.154 123.986 122.820 0.020 0.000 2.119 114 A HA 0.596 4.903 4.320 -0.020 0.000 0.217 114 A C 1.899 179.534 177.584 0.084 0.000 1.153 114 A CA 0.618 52.653 52.037 -0.004 0.000 0.692 114 A CB -0.723 18.280 19.000 0.004 0.000 0.799 114 A HN 1.505 nan 8.150 nan 0.000 0.458 115 G N -3.228 105.701 108.800 0.214 0.000 2.157 115 G HA2 0.398 4.346 3.960 -0.020 0.000 0.114 115 G HA3 0.398 4.346 3.960 -0.020 0.000 0.114 115 G C 0.964 176.174 174.900 0.518 0.000 1.041 115 G CA 0.364 45.686 45.100 0.370 0.000 0.714 115 G HN 1.958 nan 8.290 nan 0.000 0.492 116 G N -0.831 108.317 108.800 0.580 0.000 2.145 116 G HA2 -0.063 3.884 3.960 -0.020 0.000 0.145 116 G HA3 -0.063 3.884 3.960 -0.020 0.000 0.145 116 G C 0.369 175.567 174.900 0.498 0.000 1.017 116 G CA -0.099 45.297 45.100 0.493 0.000 0.682 116 G HN 1.172 nan 8.290 nan 0.000 0.504 117 L N 2.344 123.722 121.223 0.257 0.000 2.499 117 L HA 0.256 4.584 4.340 -0.020 0.000 0.273 117 L C -0.803 176.159 176.870 0.152 0.000 1.195 117 L CA -1.332 53.462 54.840 -0.077 0.000 0.882 117 L CB 0.337 42.251 42.059 -0.242 0.000 1.133 117 L HN 0.093 nan 8.230 nan 0.000 0.483 118 P HA -0.088 nan 4.420 nan 0.000 0.269 118 P C 0.491 177.885 177.300 0.157 0.000 1.215 118 P CA -0.397 62.830 63.100 0.212 0.000 0.780 118 P CB 1.019 32.876 31.700 0.263 0.000 0.898 119 L N 0.990 122.293 121.223 0.134 0.000 2.046 119 L HA -0.089 4.239 4.340 -0.020 0.000 0.208 119 L C 0.947 177.869 176.870 0.088 0.000 1.077 119 L CA 1.934 56.837 54.840 0.105 0.000 0.747 119 L CB -0.625 41.509 42.059 0.125 0.000 0.896 119 L HN 0.340 nan 8.230 nan 0.000 0.432 120 Q N -0.121 119.725 119.800 0.077 0.000 2.309 120 Q HA 0.389 4.717 4.340 -0.020 0.000 0.264 120 Q C -0.898 175.090 176.000 -0.021 0.000 1.008 120 Q CA -0.752 55.074 55.803 0.038 0.000 0.853 120 Q CB 2.235 30.984 28.738 0.019 0.000 1.314 120 Q HN -0.067 nan 8.270 nan 0.000 0.448 121 V N 3.803 123.665 119.914 -0.087 0.000 2.530 121 V HA 0.166 4.274 4.120 -0.020 0.000 0.282 121 V C -1.978 173.940 176.094 -0.293 0.000 1.048 121 V CA -1.355 60.741 62.300 -0.339 0.000 0.997 121 V CB 0.667 32.324 31.823 -0.277 0.000 0.987 121 V HN 0.604 nan 8.190 nan 0.000 0.477 122 P HA -0.012 nan 4.420 nan 0.000 0.265 122 P C 0.784 178.001 177.300 -0.139 0.000 1.187 122 P CA 0.134 63.117 63.100 -0.194 0.000 0.766 122 P CB 0.472 32.072 31.700 -0.167 0.000 0.820 123 D N 2.296 122.657 120.400 -0.064 0.000 2.133 123 D HA -0.185 4.443 4.640 -0.020 0.000 0.195 123 D C 1.333 177.612 176.300 -0.035 0.000 0.997 123 D CA 1.220 55.199 54.000 -0.035 0.000 0.840 123 D CB 0.110 40.904 40.800 -0.011 0.000 0.947 123 D HN 0.511 nan 8.370 nan 0.000 0.452 124 E N 0.377 120.558 120.200 -0.032 0.000 2.501 124 E HA -0.085 4.253 4.350 -0.020 0.000 0.203 124 E C 0.655 177.242 176.600 -0.022 0.000 1.072 124 E CA 0.112 56.503 56.400 -0.015 0.000 0.885 124 E CB -0.293 29.408 29.700 0.002 0.000 0.813 124 E HN 0.115 nan 8.360 nan 0.000 0.556 125 V N 2.163 122.039 119.914 -0.064 0.000 2.339 125 V HA 0.096 4.204 4.120 -0.020 0.000 0.261 125 V C 0.670 176.746 176.094 -0.031 0.000 1.058 125 V CA -0.065 62.198 62.300 -0.062 0.000 0.897 125 V CB 0.973 32.688 31.823 -0.179 0.000 1.052 125 V HN -0.029 nan 8.190 nan 0.000 0.480 126 K N 2.183 122.584 120.400 0.002 0.000 2.309 126 K HA 0.195 4.503 4.320 -0.020 0.000 0.210 126 K C 1.210 177.824 176.600 0.022 0.000 1.114 126 K CA 0.548 56.841 56.287 0.009 0.000 0.912 126 K CB 0.047 32.554 32.500 0.012 0.000 1.198 126 K HN 0.693 nan 8.250 nan 0.000 0.471 127 S N 0.090 115.812 115.700 0.037 0.000 2.624 127 S HA 0.072 4.530 4.470 -0.020 0.000 0.263 127 S C 1.290 175.932 174.600 0.070 0.000 1.287 127 S CA -0.011 58.216 58.200 0.045 0.000 0.990 127 S CB 1.326 64.555 63.200 0.048 0.000 0.950 127 S HN 0.253 nan 8.310 nan 0.000 0.561 128 S N 0.432 116.175 115.700 0.072 0.000 2.423 128 S HA -0.132 4.326 4.470 -0.020 0.000 0.231 128 S C 1.877 176.587 174.600 0.184 0.000 1.014 128 S CA 0.966 59.231 58.200 0.109 0.000 0.965 128 S CB -1.136 62.106 63.200 0.071 0.000 0.785 128 S HN 1.024 nan 8.310 nan 0.000 0.495 129 S N 1.432 117.216 115.700 0.140 0.000 2.446 129 S HA -0.011 4.447 4.470 -0.020 0.000 0.225 129 S C 1.338 176.025 174.600 0.145 0.000 1.016 129 S CA 0.656 58.942 58.200 0.143 0.000 0.943 129 S CB -0.487 62.770 63.200 0.095 0.000 0.786 129 S HN 0.346 nan 8.310 nan 0.000 0.508 130 D N 1.292 121.768 120.400 0.126 0.000 2.219 130 D HA 0.039 4.667 4.640 -0.020 0.000 0.205 130 D C 1.691 178.095 176.300 0.175 0.000 0.970 130 D CA 0.519 54.590 54.000 0.118 0.000 0.851 130 D CB -0.269 40.575 40.800 0.074 0.000 0.943 130 D HN 0.332 nan 8.370 nan 0.000 0.488 131 L N 0.162 121.527 121.223 0.236 0.000 2.095 131 L HA 0.003 4.331 4.340 -0.020 0.000 0.204 131 L C 2.028 179.227 176.870 0.548 0.000 1.080 131 L CA 0.796 55.865 54.840 0.382 0.000 0.759 131 L CB -0.460 41.848 42.059 0.415 0.000 0.914 131 L HN -0.018 nan 8.230 nan 0.000 0.439 132 L N -0.179 121.312 121.223 0.447 0.000 2.012 132 L HA -0.229 4.099 4.340 -0.020 0.000 0.210 132 L C 2.712 179.635 176.870 0.088 0.000 1.073 132 L CA 1.911 56.851 54.840 0.166 0.000 0.748 132 L CB -0.707 41.397 42.059 0.076 0.000 0.891 132 L HN 0.282 nan 8.230 nan 0.000 0.431 133 R N -1.463 119.115 120.500 0.130 0.000 2.096 133 R HA -0.266 4.062 4.340 -0.020 0.000 0.240 133 R C 2.383 178.771 176.300 0.147 0.000 1.139 133 R CA 2.136 58.301 56.100 0.109 0.000 0.952 133 R CB -0.653 29.713 30.300 0.111 0.000 0.854 133 R HN 0.473 nan 8.270 nan 0.000 0.436 134 F N 0.329 120.297 119.950 0.029 0.000 2.095 134 F HA -0.247 4.269 4.527 -0.019 0.000 0.298 134 F C 1.525 177.331 175.800 0.011 0.000 1.104 134 F CA 1.567 59.543 58.000 -0.040 0.000 1.232 134 F CB -0.597 38.289 39.000 -0.190 0.000 0.987 134 F HN 0.023 nan 8.300 nan 0.000 0.475 135 Y N 0.468 120.783 120.300 0.025 0.000 2.242 135 Y HA -0.170 4.368 4.550 -0.020 0.000 0.291 135 Y C 2.646 178.727 175.900 0.302 0.000 1.137 135 Y CA 1.473 59.616 58.100 0.071 0.000 1.181 135 Y CB -0.918 37.534 38.460 -0.013 0.000 0.989 135 Y HN 0.125 nan 8.280 nan 0.000 0.527 136 Q N 0.056 119.982 119.800 0.211 0.000 2.084 136 Q HA -0.157 4.171 4.340 -0.020 0.000 0.202 136 Q C 1.490 177.600 176.000 0.183 0.000 0.978 136 Q CA 1.224 57.138 55.803 0.186 0.000 0.844 136 Q CB -0.349 28.404 28.738 0.026 0.000 0.898 136 Q HN 0.527 nan 8.270 nan 0.000 0.426 137 N N -0.612 118.148 118.700 0.100 0.000 2.424 137 N HA -0.065 4.663 4.740 -0.020 0.000 0.178 137 N C 0.168 175.674 175.510 -0.007 0.000 1.060 137 N CA -0.017 53.054 53.050 0.035 0.000 0.901 137 N CB -0.118 38.384 38.487 0.025 0.000 0.979 137 N HN 0.229 nan 8.380 nan 0.000 0.451 138 W N 3.380 124.558 121.300 -0.203 0.000 2.295 138 W HA 0.033 4.681 4.660 -0.020 0.000 0.335 138 W C -0.415 175.984 176.519 -0.201 0.000 1.351 138 W CA 0.104 57.284 57.345 -0.275 0.000 1.273 138 W CB 0.519 29.737 29.460 -0.404 0.000 1.214 138 W HN -0.094 nan 8.180 nan 0.000 0.563 139 Q N 8.562 127.699 119.800 -1.105 0.000 2.333 139 Q HA 0.315 4.643 4.340 -0.020 0.000 0.265 139 Q C -2.073 172.995 176.000 -1.553 0.000 0.989 139 Q CA -2.120 53.014 55.803 -1.114 0.000 0.842 139 Q CB 1.249 29.633 28.738 -0.590 0.000 1.262 139 Q HN 0.394 nan 8.270 nan 0.000 0.451 140 P HA 0.110 nan 4.420 nan 0.000 0.271 140 P C -0.332 176.545 177.300 -0.706 0.000 1.216 140 P CA 0.010 62.451 63.100 -1.100 0.000 0.776 140 P CB 1.088 32.334 31.700 -0.757 0.000 0.881 141 A N 2.947 125.313 122.820 -0.756 0.000 2.195 141 A HA 0.174 4.482 4.320 -0.020 0.000 0.210 141 A C 0.248 177.198 177.584 -1.055 0.000 1.165 141 A CA 0.355 51.770 52.037 -1.036 0.000 0.806 141 A CB -0.100 17.946 19.000 -1.590 0.000 0.847 141 A HN 0.570 nan 8.150 nan 0.000 0.482 142 W N -2.236 119.007 121.300 -0.096 0.000 3.083 142 W HA 0.652 5.300 4.660 -0.021 0.000 0.333 142 W C -0.008 176.453 176.519 -0.096 0.000 1.217 142 W CA -1.429 55.868 57.345 -0.080 0.000 1.170 142 W CB 1.047 30.474 29.460 -0.054 0.000 1.437 142 W HN 0.111 nan 8.180 nan 0.000 0.557 143 A N 3.718 126.627 122.820 0.148 0.000 2.425 143 A HA 0.463 4.770 4.320 -0.020 0.000 0.242 143 A C -1.938 175.653 177.584 0.012 0.000 1.077 143 A CA -0.838 51.225 52.037 0.042 0.000 0.781 143 A CB -0.726 18.299 19.000 0.042 0.000 1.020 143 A HN 0.191 nan 8.150 nan 0.000 0.494 144 P HA 0.144 nan 4.420 nan 0.000 0.266 144 P C 0.724 177.880 177.300 -0.240 0.000 1.195 144 P CA 1.494 64.423 63.100 -0.285 0.000 0.768 144 P CB 0.490 31.980 31.700 -0.349 0.000 0.838 145 G N 2.196 110.771 108.800 -0.375 0.000 2.221 145 G HA2 -0.265 3.683 3.960 -0.020 0.000 0.265 145 G HA3 -0.265 3.683 3.960 -0.020 0.000 0.265 145 G C 0.582 175.410 174.900 -0.121 0.000 1.041 145 G CA 0.743 45.772 45.100 -0.117 0.000 0.807 145 G HN 0.769 nan 8.290 nan 0.000 0.502 146 T N -4.938 109.517 114.554 -0.165 0.000 2.964 146 T HA 0.504 4.842 4.350 -0.020 0.000 0.250 146 T C 0.570 175.132 174.700 -0.230 0.000 0.982 146 T CA 1.046 63.076 62.100 -0.115 0.000 0.959 146 T CB 0.724 69.572 68.868 -0.033 0.000 1.141 146 T HN 0.500 nan 8.240 nan 0.000 0.494 147 Q N 0.800 120.426 119.800 -0.289 0.000 2.397 147 Q HA 0.588 4.916 4.340 -0.020 0.000 0.275 147 Q C -1.321 174.493 176.000 -0.311 0.000 1.090 147 Q CA -0.781 54.766 55.803 -0.427 0.000 0.809 147 Q CB 2.355 30.562 28.738 -0.884 0.000 1.362 147 Q HN 0.331 nan 8.270 nan 0.000 0.431 148 R N 3.134 123.472 120.500 -0.270 0.000 2.295 148 R HA 0.596 4.924 4.340 -0.020 0.000 0.324 148 R C -1.694 174.584 176.300 -0.037 0.000 0.968 148 R CA -0.661 55.370 56.100 -0.115 0.000 0.837 148 R CB 0.647 30.907 30.300 -0.068 0.000 1.133 148 R HN 0.557 nan 8.270 nan 0.000 0.450 149 L N 6.120 127.394 121.223 0.085 0.000 2.427 149 L HA 0.254 4.582 4.340 -0.020 0.000 0.264 149 L C -1.458 175.465 176.870 0.089 0.000 0.989 149 L CA -0.763 54.154 54.840 0.127 0.000 0.865 149 L CB 0.905 43.125 42.059 0.267 0.000 1.209 149 L HN 0.613 nan 8.230 nan 0.000 0.430 150 Y N 4.743 124.923 120.300 -0.201 0.000 2.865 150 Y HA 0.348 4.886 4.550 -0.021 0.000 0.338 150 Y C 0.012 175.749 175.900 -0.272 0.000 1.269 150 Y CA 0.991 58.749 58.100 -0.571 0.000 1.585 150 Y CB 0.216 38.398 38.460 -0.463 0.000 1.224 150 Y HN 0.810 nan 8.280 nan 0.000 0.554 151 A N 5.654 128.121 122.820 -0.589 0.000 2.517 151 A HA 0.334 4.642 4.320 -0.020 0.000 0.297 151 A C 0.016 177.542 177.584 -0.097 0.000 1.050 151 A CA -0.929 51.000 52.037 -0.180 0.000 0.694 151 A CB 0.972 20.008 19.000 0.060 0.000 1.277 151 A HN 0.760 nan 8.150 nan 0.000 0.400 152 N N 1.085 119.769 118.700 -0.026 0.000 2.188 152 N HA -0.146 4.582 4.740 -0.020 0.000 0.184 152 N C 2.009 177.589 175.510 0.118 0.000 1.018 152 N CA 1.903 54.998 53.050 0.076 0.000 0.858 152 N CB -0.166 38.433 38.487 0.185 0.000 0.989 152 N HN 0.836 nan 8.380 nan 0.000 0.426 153 S N -0.783 115.006 115.700 0.148 0.000 2.474 153 S HA 0.010 4.468 4.470 -0.020 0.000 0.235 153 S C 2.008 176.783 174.600 0.293 0.000 0.997 153 S CA 1.096 59.448 58.200 0.254 0.000 0.949 153 S CB -0.052 63.322 63.200 0.291 0.000 0.766 153 S HN 0.219 nan 8.310 nan 0.000 0.517 154 S N 0.952 116.772 115.700 0.200 0.000 2.370 154 S HA 0.266 4.724 4.470 -0.020 0.000 0.214 154 S C 1.625 176.301 174.600 0.127 0.000 1.033 154 S CA 0.418 58.721 58.200 0.171 0.000 0.941 154 S CB -0.562 62.751 63.200 0.188 0.000 0.886 154 S HN 0.575 nan 8.310 nan 0.000 0.521 155 I N 1.263 121.897 120.570 0.107 0.000 2.676 155 I HA 0.038 4.196 4.170 -0.020 0.000 0.259 155 I C 2.029 178.209 176.117 0.105 0.000 1.194 155 I CA 1.069 62.407 61.300 0.064 0.000 1.473 155 I CB -0.509 37.493 38.000 0.003 0.000 1.096 155 I HN 0.480 nan 8.210 nan 0.000 0.443 156 G N 0.980 109.815 108.800 0.059 0.000 2.402 156 G HA2 -0.271 3.677 3.960 -0.020 0.000 0.216 156 G HA3 -0.271 3.677 3.960 -0.020 0.000 0.216 156 G C 1.513 176.366 174.900 -0.078 0.000 1.162 156 G CA 0.718 45.790 45.100 -0.047 0.000 0.777 156 G HN 0.374 nan 8.290 nan 0.000 0.539 157 L N -0.065 121.158 121.223 -0.000 0.000 2.046 157 L HA 0.100 4.428 4.340 -0.020 0.000 0.208 157 L C 2.416 179.232 176.870 -0.091 0.000 1.077 157 L CA 1.534 56.311 54.840 -0.105 0.000 0.747 157 L CB -0.821 41.134 42.059 -0.174 0.000 0.896 157 L HN 0.223 nan 8.230 nan 0.000 0.432 158 F N 0.624 120.503 119.950 -0.119 0.000 2.065 158 F HA -0.156 4.359 4.527 -0.021 0.000 0.298 158 F C 2.224 177.953 175.800 -0.118 0.000 1.112 158 F CA 2.011 59.947 58.000 -0.107 0.000 1.212 158 F CB -1.154 37.794 39.000 -0.088 0.000 0.975 158 F HN 0.133 nan 8.300 nan 0.000 0.476 159 G N -0.425 108.242 108.800 -0.221 0.000 2.440 159 G HA2 -0.246 3.702 3.960 -0.020 0.000 0.218 159 G HA3 -0.246 3.702 3.960 -0.020 0.000 0.218 159 G C 1.812 176.559 174.900 -0.255 0.000 1.154 159 G CA 1.085 46.030 45.100 -0.258 0.000 0.767 159 G HN 0.703 nan 8.290 nan 0.000 0.552 160 A N 0.364 122.985 122.820 -0.331 0.000 1.902 160 A HA 0.141 4.448 4.320 -0.020 0.000 0.217 160 A C 2.435 179.832 177.584 -0.311 0.000 1.181 160 A CA 1.248 53.101 52.037 -0.306 0.000 0.623 160 A CB -0.319 18.462 19.000 -0.365 0.000 0.818 160 A HN 0.363 nan 8.150 nan 0.000 0.443 161 L N -1.050 119.955 121.223 -0.363 0.000 2.131 161 L HA -0.079 4.248 4.340 -0.020 0.000 0.206 161 L C 3.062 179.651 176.870 -0.469 0.000 1.087 161 L CA 0.784 55.408 54.840 -0.359 0.000 0.767 161 L CB -0.613 41.292 42.059 -0.256 0.000 0.917 161 L HN 0.415 nan 8.230 nan 0.000 0.441 162 A N 0.485 122.951 122.820 -0.590 0.000 1.948 162 A HA -0.191 4.117 4.320 -0.020 0.000 0.220 162 A C 2.156 179.489 177.584 -0.419 0.000 1.177 162 A CA 2.146 53.799 52.037 -0.641 0.000 0.636 162 A CB -0.865 17.614 19.000 -0.869 0.000 0.815 162 A HN 0.363 nan 8.150 nan 0.000 0.449 163 V N -3.350 116.390 119.914 -0.291 0.000 3.623 163 V HA 0.065 4.173 4.120 -0.020 0.000 0.271 163 V C 1.657 177.648 176.094 -0.170 0.000 1.248 163 V CA 1.272 63.447 62.300 -0.208 0.000 1.156 163 V CB -0.552 31.177 31.823 -0.156 0.000 0.870 163 V HN 0.437 nan 8.190 nan 0.000 0.453 164 K N 1.210 121.499 120.400 -0.184 0.000 2.032 164 K HA -0.065 4.243 4.320 -0.020 0.000 0.209 164 K C -0.003 176.562 176.600 -0.057 0.000 1.048 164 K CA 2.051 58.272 56.287 -0.110 0.000 0.927 164 K CB -1.358 31.094 32.500 -0.080 0.000 0.712 164 K HN 0.473 nan 8.250 nan 0.000 0.441 165 P HA -0.154 nan 4.420 nan 0.000 0.218 165 P C 1.384 178.664 177.300 -0.033 0.000 1.149 165 P CA 1.456 64.557 63.100 0.002 0.000 0.817 165 P CB 0.001 31.718 31.700 0.027 0.000 0.785 166 S N -1.356 114.302 115.700 -0.070 0.000 2.442 166 S HA -0.004 4.454 4.470 -0.020 0.000 0.236 166 S C 1.914 176.477 174.600 -0.063 0.000 1.007 166 S CA 1.201 59.357 58.200 -0.072 0.000 0.965 166 S CB -1.554 61.584 63.200 -0.103 0.000 0.773 166 S HN 0.300 nan 8.310 nan 0.000 0.504 167 G N 0.542 109.306 108.800 -0.061 0.000 2.179 167 G HA2 -0.237 3.710 3.960 -0.020 0.000 0.260 167 G HA3 -0.237 3.710 3.960 -0.020 0.000 0.260 167 G C 0.014 174.877 174.900 -0.062 0.000 0.977 167 G CA 0.503 45.572 45.100 -0.051 0.000 0.641 167 G HN 0.572 nan 8.290 nan 0.000 0.533 168 L N 1.407 122.581 121.223 -0.081 0.000 2.416 168 L HA 0.608 4.936 4.340 -0.020 0.000 0.262 168 L C 1.392 178.207 176.870 -0.092 0.000 1.093 168 L CA -0.254 54.532 54.840 -0.091 0.000 0.801 168 L CB 1.360 43.348 42.059 -0.119 0.000 1.191 168 L HN 0.378 nan 8.230 nan 0.000 0.459 169 S N -0.262 115.388 115.700 -0.084 0.000 2.617 169 S HA 0.140 4.598 4.470 -0.020 0.000 0.269 169 S C 0.761 175.316 174.600 -0.074 0.000 1.292 169 S CA -0.563 57.603 58.200 -0.056 0.000 1.010 169 S CB 0.773 63.949 63.200 -0.041 0.000 0.944 169 S HN 0.539 nan 8.310 nan 0.000 0.536 170 F N 1.340 121.197 119.950 -0.155 0.000 2.091 170 F HA -0.155 4.360 4.527 -0.020 0.000 0.299 170 F C 2.464 178.152 175.800 -0.186 0.000 1.103 170 F CA 2.355 60.247 58.000 -0.180 0.000 1.228 170 F CB -0.356 38.535 39.000 -0.181 0.000 0.984 170 F HN 0.947 nan 8.300 nan 0.000 0.477 171 E N -0.427 119.724 120.200 -0.081 0.000 2.031 171 E HA -0.318 4.020 4.350 -0.020 0.000 0.193 171 E C 2.252 178.701 176.600 -0.252 0.000 0.994 171 E CA 1.325 57.631 56.400 -0.157 0.000 0.800 171 E CB -0.327 29.362 29.700 -0.018 0.000 0.752 171 E HN 0.407 nan 8.360 nan 0.000 0.447 172 Q N 0.642 120.335 119.800 -0.178 0.000 2.061 172 Q HA -0.164 4.164 4.340 -0.020 0.000 0.204 172 Q C 1.890 177.741 176.000 -0.247 0.000 0.984 172 Q CA 2.247 57.949 55.803 -0.168 0.000 0.846 172 Q CB -0.648 28.020 28.738 -0.115 0.000 0.902 172 Q HN 0.380 nan 8.270 nan 0.000 0.421 173 A N -0.146 122.486 122.820 -0.313 0.000 1.877 173 A HA -0.213 4.095 4.320 -0.020 0.000 0.216 173 A C 2.104 179.406 177.584 -0.471 0.000 1.186 173 A CA 2.016 53.840 52.037 -0.355 0.000 0.620 173 A CB -0.733 18.037 19.000 -0.384 0.000 0.822 173 A HN 0.518 nan 8.150 nan 0.000 0.443 174 M N -0.060 119.119 119.600 -0.702 0.000 2.080 174 M HA -0.223 4.245 4.480 -0.020 0.000 0.260 174 M C 2.150 177.911 176.300 -0.898 0.000 1.068 174 M CA 2.090 56.847 55.300 -0.905 0.000 1.109 174 M CB -0.690 31.211 32.600 -1.164 0.000 1.342 174 M HN 0.550 nan 8.290 nan 0.000 0.405 175 Q N -1.457 117.968 119.800 -0.625 0.000 2.020 175 Q HA -0.159 4.169 4.340 -0.020 0.000 0.202 175 Q C 1.957 177.841 176.000 -0.194 0.000 0.982 175 Q CA 2.283 57.896 55.803 -0.316 0.000 0.838 175 Q CB -0.524 28.142 28.738 -0.121 0.000 0.899 175 Q HN 0.526 nan 8.270 nan 0.000 0.423 176 T N 0.581 115.023 114.554 -0.188 0.000 2.821 176 T HA -0.085 4.253 4.350 -0.020 0.000 0.267 176 T C 1.628 176.259 174.700 -0.115 0.000 1.046 176 T CA 1.155 63.180 62.100 -0.125 0.000 1.139 176 T CB -0.041 68.756 68.868 -0.118 0.000 0.871 176 T HN 0.215 nan 8.240 nan 0.000 0.454 177 R N -0.355 120.046 120.500 -0.164 0.000 2.265 177 R HA 0.273 4.601 4.340 -0.020 0.000 0.194 177 R C 1.579 177.832 176.300 -0.079 0.000 0.931 177 R CA 0.269 56.297 56.100 -0.119 0.000 1.032 177 R CB 0.420 30.635 30.300 -0.142 0.000 0.980 177 R HN 0.232 nan 8.270 nan 0.000 0.497 178 V N -0.950 118.888 119.914 -0.127 0.000 3.054 178 V HA 0.024 4.132 4.120 -0.020 0.000 0.227 178 V C 1.409 177.601 176.094 0.164 0.000 1.252 178 V CA 0.416 62.724 62.300 0.012 0.000 1.279 178 V CB -0.305 31.490 31.823 -0.046 0.000 1.118 178 V HN -0.029 nan 8.190 nan 0.000 0.504 179 F N 1.419 121.318 119.950 -0.084 0.000 2.069 179 F HA -0.173 4.342 4.527 -0.021 0.000 0.298 179 F C 2.590 178.326 175.800 -0.107 0.000 1.113 179 F CA 1.704 59.618 58.000 -0.143 0.000 1.214 179 F CB -1.203 37.628 39.000 -0.282 0.000 0.978 179 F HN 0.188 nan 8.300 nan 0.000 0.474 180 Q N -0.186 119.671 119.800 0.095 0.000 2.020 180 Q HA -0.149 4.179 4.340 -0.020 0.000 0.202 180 Q C -0.296 175.723 176.000 0.031 0.000 0.982 180 Q CA 2.072 57.891 55.803 0.025 0.000 0.838 180 Q CB -1.450 27.285 28.738 -0.006 0.000 0.899 180 Q HN 0.222 nan 8.270 nan 0.000 0.423 181 P HA -0.180 nan 4.420 nan 0.000 0.216 181 P C 0.514 177.849 177.300 0.058 0.000 1.153 181 P CA 1.265 64.388 63.100 0.038 0.000 0.858 181 P CB 0.021 31.744 31.700 0.039 0.000 0.789 182 L N -1.661 119.624 121.223 0.102 0.000 2.591 182 L HA 0.110 4.438 4.340 -0.020 0.000 0.228 182 L C 0.397 177.319 176.870 0.086 0.000 1.133 182 L CA 0.189 55.102 54.840 0.123 0.000 0.880 182 L CB -0.834 41.367 42.059 0.237 0.000 1.033 182 L HN -0.037 nan 8.230 nan 0.000 0.450 183 K N 0.721 121.150 120.400 0.047 0.000 3.096 183 K HA -0.167 4.141 4.320 -0.020 0.000 0.266 183 K C -0.332 176.259 176.600 -0.015 0.000 1.043 183 K CA 0.393 56.685 56.287 0.010 0.000 0.758 183 K CB -1.672 30.838 32.500 0.016 0.000 1.260 183 K HN 0.309 nan 8.250 nan 0.000 0.481 184 L N 1.240 122.433 121.223 -0.051 0.000 2.422 184 L HA 0.149 4.477 4.340 -0.020 0.000 0.256 184 L C 0.797 177.445 176.870 -0.371 0.000 1.202 184 L CA -0.483 54.251 54.840 -0.177 0.000 1.119 184 L CB 0.156 42.080 42.059 -0.225 0.000 1.383 184 L HN 0.192 nan 8.230 nan 0.000 0.411 185 N N 0.257 118.792 118.700 -0.275 0.000 2.383 185 N HA -0.002 4.726 4.740 -0.020 0.000 0.192 185 N C 0.117 175.082 175.510 -0.907 0.000 1.141 185 N CA 0.374 53.139 53.050 -0.476 0.000 0.851 185 N CB 0.216 38.546 38.487 -0.261 0.000 0.976 185 N HN 0.558 nan 8.380 nan 0.000 0.465 186 H N -1.277 117.409 119.070 -0.640 0.000 2.790 186 H HA 0.299 4.843 4.556 -0.021 0.000 0.232 186 H C -0.717 174.091 175.328 -0.867 0.000 1.313 186 H CA -0.208 55.499 56.048 -0.570 0.000 1.011 186 H CB 0.409 30.092 29.762 -0.131 0.000 2.105 186 H HN -0.182 nan 8.280 nan 0.000 0.580 187 T N 0.742 114.431 114.554 -1.442 0.000 2.881 187 T HA 0.368 4.706 4.350 -0.020 0.000 0.291 187 T C -1.184 172.594 174.700 -1.537 0.000 0.990 187 T CA -0.679 60.626 62.100 -1.326 0.000 0.976 187 T CB 0.896 68.893 68.868 -1.451 0.000 0.970 187 T HN 0.268 nan 8.240 nan 0.000 0.438 188 W N 1.994 122.988 121.300 -0.510 0.000 3.032 188 W HA 0.610 5.259 4.660 -0.019 0.000 0.335 188 W C 0.538 176.932 176.519 -0.209 0.000 1.154 188 W CA -0.948 56.219 57.345 -0.297 0.000 1.204 188 W CB 0.754 30.056 29.460 -0.263 0.000 1.416 188 W HN 0.443 nan 8.180 nan 0.000 0.521 189 I N 1.473 122.140 120.570 0.162 0.000 2.703 189 I HA -0.032 4.126 4.170 -0.020 0.000 0.259 189 I C 0.187 176.319 176.117 0.026 0.000 1.151 189 I CA 0.838 62.182 61.300 0.074 0.000 1.470 189 I CB -0.020 38.040 38.000 0.101 0.000 1.112 189 I HN 0.323 nan 8.210 nan 0.000 0.437 190 N N 1.031 119.762 118.700 0.051 0.000 2.491 190 N HA 0.239 4.966 4.740 -0.020 0.000 0.274 190 N C -0.886 174.531 175.510 -0.155 0.000 1.023 190 N CA -0.237 52.786 53.050 -0.046 0.000 0.902 190 N CB 2.704 41.169 38.487 -0.036 0.000 1.267 190 N HN -0.240 nan 8.380 nan 0.000 0.503 191 V N 4.678 124.417 119.914 -0.290 0.000 2.446 191 V HA 0.121 4.229 4.120 -0.020 0.000 0.276 191 V C -1.521 174.259 176.094 -0.524 0.000 1.030 191 V CA -0.900 61.065 62.300 -0.558 0.000 1.033 191 V CB 0.068 31.538 31.823 -0.588 0.000 0.993 191 V HN 0.484 nan 8.190 nan 0.000 0.477 192 P HA 0.203 nan 4.420 nan 0.000 0.272 192 P C -2.280 174.796 177.300 -0.373 0.000 1.223 192 P CA -1.677 61.108 63.100 -0.525 0.000 0.784 192 P CB 0.546 31.847 31.700 -0.665 0.000 0.923 193 P HA -0.227 nan 4.420 nan 0.000 0.217 193 P C 1.498 178.711 177.300 -0.144 0.000 1.151 193 P CA 2.340 65.353 63.100 -0.146 0.000 0.849 193 P CB -0.424 31.216 31.700 -0.101 0.000 0.787 194 A N -0.256 122.459 122.820 -0.174 0.000 2.024 194 A HA -0.196 4.112 4.320 -0.020 0.000 0.220 194 A C 1.889 179.392 177.584 -0.135 0.000 1.164 194 A CA 1.551 53.508 52.037 -0.135 0.000 0.643 194 A CB -0.743 18.177 19.000 -0.134 0.000 0.806 194 A HN 0.138 nan 8.150 nan 0.000 0.451 195 E N -0.418 119.641 120.200 -0.234 0.000 2.472 195 E HA 0.007 4.345 4.350 -0.020 0.000 0.196 195 E C 1.391 177.922 176.600 -0.116 0.000 1.033 195 E CA 0.225 56.512 56.400 -0.189 0.000 0.886 195 E CB -0.241 29.227 29.700 -0.386 0.000 0.944 195 E HN 0.744 nan 8.360 nan 0.000 0.492 196 E N 1.631 121.769 120.200 -0.104 0.000 2.147 196 E HA -0.252 4.086 4.350 -0.020 0.000 0.199 196 E C 1.884 178.505 176.600 0.036 0.000 1.005 196 E CA 1.743 58.134 56.400 -0.015 0.000 0.810 196 E CB -0.199 29.494 29.700 -0.011 0.000 0.736 196 E HN 0.300 nan 8.360 nan 0.000 0.460 197 K N 0.200 120.617 120.400 0.027 0.000 2.360 197 K HA -0.147 4.161 4.320 -0.020 0.000 0.201 197 K C 0.977 177.616 176.600 0.065 0.000 1.046 197 K CA 1.761 58.079 56.287 0.053 0.000 0.940 197 K CB -0.163 32.362 32.500 0.042 0.000 0.748 197 K HN 0.093 nan 8.250 nan 0.000 0.465 198 N N -0.529 118.207 118.700 0.061 0.000 2.236 198 N HA 0.011 4.739 4.740 -0.020 0.000 0.196 198 N C -0.801 174.764 175.510 0.092 0.000 1.114 198 N CA -0.391 52.700 53.050 0.068 0.000 0.859 198 N CB 0.287 38.815 38.487 0.069 0.000 0.982 198 N HN 0.202 nan 8.380 nan 0.000 0.493 199 Y N 2.261 122.506 120.300 -0.093 0.000 2.531 199 Y HA 0.308 4.848 4.550 -0.016 0.000 0.347 199 Y C 0.353 176.175 175.900 -0.129 0.000 1.024 199 Y CA -1.337 56.665 58.100 -0.163 0.000 1.306 199 Y CB 0.226 38.512 38.460 -0.291 0.000 1.149 199 Y HN 0.007 nan 8.280 nan 0.000 0.527 200 A N 6.137 129.090 122.820 0.222 0.000 2.406 200 A HA 0.074 4.382 4.320 -0.020 0.000 0.243 200 A C -1.241 176.421 177.584 0.130 0.000 1.082 200 A CA -0.297 51.812 52.037 0.121 0.000 0.786 200 A CB 0.332 19.318 19.000 -0.022 0.000 1.029 200 A HN 0.927 nan 8.150 nan 0.000 0.495 201 W N 0.341 121.687 121.300 0.078 0.000 2.365 201 W HA 0.502 5.159 4.660 -0.005 0.000 0.316 201 W C 0.851 177.079 176.519 -0.485 0.000 1.164 201 W CA 0.387 57.553 57.345 -0.298 0.000 1.204 201 W CB 1.369 30.504 29.460 -0.541 0.000 1.213 201 W HN 0.949 nan 8.180 nan 0.000 0.539 202 G N 1.463 110.091 108.800 -0.287 0.000 2.537 202 G HA2 0.466 4.413 3.960 -0.020 0.000 0.273 202 G HA3 0.466 4.413 3.960 -0.020 0.000 0.273 202 G C -2.072 172.429 174.900 -0.665 0.000 1.189 202 G CA -0.380 44.268 45.100 -0.752 0.000 0.881 202 G HN 0.440 nan 8.290 nan 0.000 0.535 203 Y N -0.243 119.972 120.300 -0.142 0.000 2.373 203 Y HA 0.542 5.078 4.550 -0.023 0.000 0.336 203 Y C 0.375 176.273 175.900 -0.003 0.000 0.979 203 Y CA -0.861 57.214 58.100 -0.042 0.000 1.080 203 Y CB 2.315 40.752 38.460 -0.037 0.000 1.190 203 Y HN 0.325 nan 8.280 nan 0.000 0.446 204 R N 2.934 123.501 120.500 0.111 0.000 2.473 204 R HA 0.240 4.568 4.340 -0.020 0.000 0.303 204 R C -0.750 175.599 176.300 0.081 0.000 1.002 204 R CA -0.408 55.746 56.100 0.090 0.000 0.884 204 R CB 0.892 31.230 30.300 0.064 0.000 1.173 204 R HN 0.977 nan 8.270 nan 0.000 0.464 205 E N 1.963 122.210 120.200 0.079 0.000 2.297 205 E HA -0.278 4.060 4.350 -0.020 0.000 0.228 205 E C 0.611 177.245 176.600 0.057 0.000 1.213 205 E CA 0.824 57.258 56.400 0.056 0.000 0.712 205 E CB -0.972 28.751 29.700 0.039 0.000 1.202 205 E HN 1.177 nan 8.360 nan 0.000 0.376 206 G N -0.182 108.671 108.800 0.089 0.000 2.234 206 G HA2 -0.382 3.565 3.960 -0.020 0.000 0.260 206 G HA3 -0.382 3.565 3.960 -0.020 0.000 0.260 206 G C 0.244 175.225 174.900 0.135 0.000 0.987 206 G CA 0.844 45.998 45.100 0.090 0.000 0.625 206 G HN 0.286 nan 8.290 nan 0.000 0.532 207 K N 0.999 121.455 120.400 0.093 0.000 2.172 207 K HA 0.676 4.984 4.320 -0.020 0.000 0.276 207 K C 0.405 176.955 176.600 -0.083 0.000 1.013 207 K CA 0.044 56.337 56.287 0.010 0.000 0.913 207 K CB 1.736 34.221 32.500 -0.025 0.000 1.055 207 K HN 0.462 nan 8.250 nan 0.000 0.461 208 A N 2.578 125.240 122.820 -0.262 0.000 2.409 208 A HA 0.434 4.742 4.320 -0.020 0.000 0.267 208 A C -0.098 177.295 177.584 -0.318 0.000 1.127 208 A CA -0.435 51.240 52.037 -0.603 0.000 0.795 208 A CB -0.066 18.425 19.000 -0.849 0.000 1.061 208 A HN 0.542 nan 8.150 nan 0.000 0.502 209 V N 0.809 120.646 119.914 -0.128 0.000 3.087 209 V HA 0.664 4.772 4.120 -0.020 0.000 0.306 209 V C -0.747 175.463 176.094 0.194 0.000 1.187 209 V CA -0.846 61.507 62.300 0.088 0.000 0.999 209 V CB 1.188 33.052 31.823 0.068 0.000 1.049 209 V HN 0.977 nan 8.190 nan 0.000 0.431 210 H N 0.250 119.452 119.070 0.220 0.000 2.731 210 H HA 0.705 5.251 4.556 -0.017 0.000 0.368 210 H C -0.536 174.877 175.328 0.141 0.000 1.168 210 H CA -1.005 55.098 56.048 0.092 0.000 1.181 210 H CB 2.318 31.967 29.762 -0.188 0.000 1.743 210 H HN 0.765 nan 8.280 nan 0.000 0.547 211 V N 2.071 122.157 119.914 0.288 0.000 2.763 211 V HA -0.011 4.096 4.120 -0.020 0.000 0.306 211 V C -0.279 175.922 176.094 0.179 0.000 1.059 211 V CA 0.434 62.862 62.300 0.213 0.000 1.138 211 V CB 0.861 32.806 31.823 0.203 0.000 0.940 211 V HN 0.729 nan 8.190 nan 0.000 0.489 212 S N 7.139 122.932 115.700 0.155 0.000 2.578 212 S HA 0.542 5.000 4.470 -0.020 0.000 0.283 212 S C -2.337 172.339 174.600 0.127 0.000 1.195 212 S CA -0.792 57.483 58.200 0.124 0.000 1.050 212 S CB 1.304 64.563 63.200 0.099 0.000 1.012 212 S HN 0.806 nan 8.310 nan 0.000 0.511 213 P HA 0.443 nan 4.420 nan 0.000 0.267 213 P C -0.082 177.267 177.300 0.082 0.000 1.200 213 P CA -0.047 63.096 63.100 0.072 0.000 0.772 213 P CB 0.355 32.081 31.700 0.043 0.000 0.855 214 G N -0.234 108.610 108.800 0.074 0.000 2.646 214 G HA2 0.557 4.505 3.960 -0.020 0.000 0.291 214 G HA3 0.557 4.505 3.960 -0.020 0.000 0.291 214 G C -1.495 173.417 174.900 0.020 0.000 1.445 214 G CA -0.449 44.699 45.100 0.080 0.000 0.814 214 G HN 0.541 nan 8.290 nan 0.000 0.495 215 A N 0.223 123.045 122.820 0.002 0.000 2.477 215 A HA 0.570 4.877 4.320 -0.020 0.000 0.246 215 A C 1.412 178.958 177.584 -0.063 0.000 1.078 215 A CA 0.406 52.422 52.037 -0.036 0.000 0.770 215 A CB -0.315 18.659 19.000 -0.043 0.000 1.011 215 A HN 1.752 nan 8.150 nan 0.000 0.494 216 L N 0.346 121.495 121.223 -0.124 0.000 4.179 216 L HA -0.321 4.007 4.340 -0.020 0.000 0.418 216 L C 1.287 177.937 176.870 -0.367 0.000 1.168 216 L CA 0.716 55.429 54.840 -0.211 0.000 0.972 216 L CB -1.716 40.278 42.059 -0.108 0.000 2.005 216 L HN 1.023 nan 8.230 nan 0.000 0.935 217 D N 0.231 120.388 120.400 -0.405 0.000 2.117 217 D HA -0.144 4.484 4.640 -0.020 0.000 0.197 217 D C 1.939 177.798 176.300 -0.735 0.000 0.987 217 D CA 1.490 54.993 54.000 -0.827 0.000 0.829 217 D CB -0.094 40.462 40.800 -0.406 0.000 0.961 217 D HN 0.443 nan 8.370 nan 0.000 0.460 218 A N 0.900 123.465 122.820 -0.426 0.000 1.883 218 A HA -0.214 4.094 4.320 -0.020 0.000 0.217 218 A C 2.143 179.499 177.584 -0.381 0.000 1.186 218 A CA 1.967 53.829 52.037 -0.291 0.000 0.624 218 A CB -0.737 18.170 19.000 -0.156 0.000 0.822 218 A HN 0.223 nan 8.150 nan 0.000 0.444 219 E N -0.305 119.478 120.200 -0.695 0.000 2.150 219 E HA 0.083 4.421 4.350 -0.020 0.000 0.193 219 E C 1.839 178.258 176.600 -0.301 0.000 0.985 219 E CA 1.281 57.227 56.400 -0.757 0.000 0.814 219 E CB -0.221 28.949 29.700 -0.882 0.000 0.752 219 E HN 0.602 nan 8.360 nan 0.000 0.466 220 A N -0.652 121.980 122.820 -0.313 0.000 2.229 220 A HA 0.156 4.464 4.320 -0.020 0.000 0.211 220 A C 0.517 178.132 177.584 0.052 0.000 1.193 220 A CA 0.355 52.332 52.037 -0.100 0.000 0.879 220 A CB 0.075 19.073 19.000 -0.002 0.000 0.911 220 A HN 0.396 nan 8.150 nan 0.000 0.492 221 Y N -4.836 115.480 120.300 0.026 0.000 3.154 221 Y HA 0.383 4.921 4.550 -0.021 0.000 0.278 221 Y C 0.694 176.611 175.900 0.029 0.000 1.049 221 Y CA -0.581 57.550 58.100 0.053 0.000 1.287 221 Y CB -0.535 37.967 38.460 0.069 0.000 1.298 221 Y HN -0.014 nan 8.280 nan 0.000 0.620 222 G N 0.875 109.602 108.800 -0.122 0.000 3.434 222 G HA2 0.425 4.373 3.960 -0.020 0.000 0.258 222 G HA3 0.425 4.373 3.960 -0.020 0.000 0.258 222 G C -0.358 174.519 174.900 -0.039 0.000 1.128 222 G CA 0.045 45.108 45.100 -0.062 0.000 0.792 222 G HN 0.108 nan 8.290 nan 0.000 0.539 223 V N 0.532 120.424 119.914 -0.038 0.000 2.509 223 V HA 0.431 4.539 4.120 -0.020 0.000 0.284 223 V C -0.248 175.753 176.094 -0.155 0.000 1.047 223 V CA -0.583 61.645 62.300 -0.120 0.000 0.952 223 V CB 1.475 33.164 31.823 -0.225 0.000 0.988 223 V HN 0.129 nan 8.190 nan 0.000 0.469 224 K N 2.324 122.598 120.400 -0.210 0.000 2.203 224 K HA 0.823 5.131 4.320 -0.020 0.000 0.251 224 K C -0.466 176.002 176.600 -0.220 0.000 0.944 224 K CA -0.252 55.902 56.287 -0.221 0.000 0.829 224 K CB 1.980 34.263 32.500 -0.363 0.000 1.125 224 K HN 0.722 nan 8.250 nan 0.000 0.430 225 S N -0.128 115.505 115.700 -0.110 0.000 2.615 225 S HA 0.588 5.046 4.470 -0.020 0.000 0.269 225 S C -1.180 173.467 174.600 0.080 0.000 1.161 225 S CA -0.719 57.413 58.200 -0.112 0.000 0.817 225 S CB 0.887 63.982 63.200 -0.175 0.000 1.131 225 S HN 0.693 nan 8.310 nan 0.000 0.467 226 T N 0.223 114.815 114.554 0.062 0.000 2.897 226 T HA 0.530 4.868 4.350 -0.020 0.000 0.278 226 T C 1.272 176.043 174.700 0.118 0.000 0.981 226 T CA -0.493 61.693 62.100 0.142 0.000 0.973 226 T CB 0.733 69.625 68.868 0.041 0.000 1.092 226 T HN 0.471 nan 8.240 nan 0.000 0.543 227 I N 0.598 121.240 120.570 0.121 0.000 2.394 227 I HA -0.028 4.130 4.170 -0.020 0.000 0.251 227 I C 2.360 178.545 176.117 0.114 0.000 1.136 227 I CA 1.441 62.812 61.300 0.119 0.000 1.425 227 I CB -0.574 37.510 38.000 0.140 0.000 1.079 227 I HN 0.811 nan 8.210 nan 0.000 0.425 228 E N 0.078 120.227 120.200 -0.086 0.000 2.047 228 E HA -0.228 4.110 4.350 -0.020 0.000 0.191 228 E C 1.701 178.343 176.600 0.071 0.000 0.987 228 E CA 1.508 57.852 56.400 -0.094 0.000 0.799 228 E CB -0.171 29.358 29.700 -0.286 0.000 0.752 228 E HN 0.493 nan 8.360 nan 0.000 0.449 229 D N 0.101 120.520 120.400 0.031 0.000 2.117 229 D HA -0.118 4.510 4.640 -0.020 0.000 0.198 229 D C 1.845 178.246 176.300 0.167 0.000 0.982 229 D CA 0.890 54.923 54.000 0.054 0.000 0.828 229 D CB -0.024 40.741 40.800 -0.058 0.000 0.967 229 D HN 0.056 nan 8.370 nan 0.000 0.464 230 M N 0.442 120.153 119.600 0.186 0.000 2.159 230 M HA -0.032 4.435 4.480 -0.020 0.000 0.263 230 M C 2.233 178.710 176.300 0.296 0.000 1.063 230 M CA 0.773 56.250 55.300 0.295 0.000 1.110 230 M CB -1.204 31.546 32.600 0.250 0.000 1.374 230 M HN -0.011 nan 8.290 nan 0.000 0.411 231 A N -0.300 122.669 122.820 0.247 0.000 1.902 231 A HA -0.195 4.113 4.320 -0.020 0.000 0.217 231 A C 2.410 180.070 177.584 0.126 0.000 1.181 231 A CA 1.866 54.015 52.037 0.187 0.000 0.623 231 A CB -0.703 18.448 19.000 0.252 0.000 0.818 231 A HN 0.467 nan 8.150 nan 0.000 0.443 232 R N -1.434 119.163 120.500 0.161 0.000 2.115 232 R HA -0.144 4.184 4.340 -0.020 0.000 0.230 232 R C 2.113 178.514 176.300 0.169 0.000 1.111 232 R CA 1.299 57.473 56.100 0.124 0.000 0.976 232 R CB -0.312 30.063 30.300 0.124 0.000 0.870 232 R HN 0.861 nan 8.270 nan 0.000 0.445 233 W N 0.375 121.702 121.300 0.045 0.000 2.381 233 W HA -0.163 4.486 4.660 -0.019 0.000 0.301 233 W C 1.316 177.795 176.519 -0.066 0.000 1.205 233 W CA 0.973 58.344 57.345 0.042 0.000 1.285 233 W CB -0.030 29.516 29.460 0.143 0.000 1.133 233 W HN -0.078 nan 8.180 nan 0.000 0.521 234 V N 1.631 121.482 119.914 -0.105 0.000 2.295 234 V HA -0.350 3.758 4.120 -0.020 0.000 0.246 234 V C 2.421 178.197 176.094 -0.529 0.000 1.049 234 V CA 2.336 64.389 62.300 -0.410 0.000 1.024 234 V CB -1.072 30.644 31.823 -0.179 0.000 0.648 234 V HN 0.231 nan 8.190 nan 0.000 0.447 235 Q N -0.241 119.388 119.800 -0.285 0.000 2.135 235 Q HA -0.195 4.133 4.340 -0.020 0.000 0.204 235 Q C 2.438 178.249 176.000 -0.314 0.000 0.981 235 Q CA 1.961 57.606 55.803 -0.263 0.000 0.856 235 Q CB -0.265 28.390 28.738 -0.138 0.000 0.902 235 Q HN 0.616 nan 8.270 nan 0.000 0.425 236 S N 0.720 116.232 115.700 -0.313 0.000 2.387 236 S HA -0.045 4.413 4.470 -0.020 0.000 0.226 236 S C 1.468 175.789 174.600 -0.465 0.000 1.026 236 S CA 0.754 58.771 58.200 -0.305 0.000 0.972 236 S CB -0.089 62.991 63.200 -0.199 0.000 0.814 236 S HN 0.388 nan 8.310 nan 0.000 0.477 237 N N 1.074 119.321 118.700 -0.756 0.000 2.446 237 N HA 0.157 4.885 4.740 -0.020 0.000 0.179 237 N C 1.473 176.452 175.510 -0.886 0.000 1.054 237 N CA 0.374 52.893 53.050 -0.884 0.000 0.905 237 N CB -0.035 37.707 38.487 -1.242 0.000 0.973 237 N HN 0.339 nan 8.380 nan 0.000 0.448 238 L N 0.558 121.271 121.223 -0.850 0.000 2.068 238 L HA -0.002 4.326 4.340 -0.020 0.000 0.204 238 L C 0.546 177.221 176.870 -0.324 0.000 1.076 238 L CA 1.105 55.603 54.840 -0.570 0.000 0.753 238 L CB 0.116 41.891 42.059 -0.474 0.000 0.910 238 L HN -0.086 nan 8.230 nan 0.000 0.439 239 K N 0.027 120.253 120.400 -0.290 0.000 2.679 239 K HA 0.207 4.515 4.320 -0.020 0.000 0.188 239 K C -1.918 174.580 176.600 -0.171 0.000 1.055 239 K CA -1.260 54.910 56.287 -0.194 0.000 1.006 239 K CB 1.314 33.720 32.500 -0.157 0.000 1.317 239 K HN -0.064 nan 8.250 nan 0.000 0.584 240 P HA -0.142 nan 4.420 nan 0.000 0.225 240 P C 0.999 178.248 177.300 -0.085 0.000 1.148 240 P CA 0.858 63.882 63.100 -0.127 0.000 0.779 240 P CB 0.297 31.927 31.700 -0.116 0.000 0.780 241 L N -0.265 120.909 121.223 -0.082 0.000 2.291 241 L HA -0.073 4.255 4.340 -0.020 0.000 0.214 241 L C 1.840 178.677 176.870 -0.055 0.000 1.120 241 L CA 1.136 55.939 54.840 -0.061 0.000 0.799 241 L CB -0.879 41.144 42.059 -0.060 0.000 0.925 241 L HN -0.099 nan 8.230 nan 0.000 0.446 242 D N 0.360 120.721 120.400 -0.065 0.000 2.348 242 D HA 0.067 4.695 4.640 -0.020 0.000 0.216 242 D C 0.784 177.059 176.300 -0.042 0.000 0.970 242 D CA 0.644 54.611 54.000 -0.054 0.000 0.889 242 D CB 0.054 40.816 40.800 -0.064 0.000 0.912 242 D HN 0.264 nan 8.370 nan 0.000 0.524 243 I N 1.910 122.455 120.570 -0.042 0.000 2.396 243 I HA 0.009 4.167 4.170 -0.020 0.000 0.289 243 I C 1.420 177.527 176.117 -0.017 0.000 1.056 243 I CA -0.373 60.912 61.300 -0.025 0.000 1.365 243 I CB 0.792 38.779 38.000 -0.022 0.000 1.407 243 I HN -0.188 nan 8.210 nan 0.000 0.509 244 N N 4.489 123.182 118.700 -0.011 0.000 2.188 244 N HA -0.107 4.621 4.740 -0.020 0.000 0.184 244 N C 0.180 175.685 175.510 -0.007 0.000 1.018 244 N CA 0.940 53.984 53.050 -0.010 0.000 0.858 244 N CB -0.028 38.454 38.487 -0.008 0.000 0.989 244 N HN 0.579 nan 8.380 nan 0.000 0.426 245 E N 1.203 121.402 120.200 -0.002 0.000 2.220 245 E HA 0.165 4.503 4.350 -0.020 0.000 0.272 245 E C 1.214 177.813 176.600 -0.002 0.000 1.099 245 E CA 0.004 56.403 56.400 -0.002 0.000 0.907 245 E CB 0.597 30.299 29.700 0.003 0.000 1.022 245 E HN 0.241 nan 8.360 nan 0.000 0.428 246 K N 2.510 122.908 120.400 -0.004 0.000 2.015 246 K HA -0.252 4.056 4.320 -0.020 0.000 0.216 246 K C 2.087 178.687 176.600 0.000 0.000 1.052 246 K CA 2.588 58.872 56.287 -0.004 0.000 0.937 246 K CB -1.827 30.670 32.500 -0.005 0.000 0.719 246 K HN 0.700 nan 8.250 nan 0.000 0.446 247 T N -0.861 113.694 114.554 0.001 0.000 2.881 247 T HA -0.069 4.269 4.350 -0.020 0.000 0.270 247 T C 1.979 176.688 174.700 0.015 0.000 1.068 247 T CA 1.389 63.492 62.100 0.006 0.000 1.131 247 T CB -0.195 68.673 68.868 -0.001 0.000 0.871 247 T HN 0.255 nan 8.240 nan 0.000 0.479 248 L N 1.396 122.628 121.223 0.016 0.000 2.056 248 L HA 0.076 4.404 4.340 -0.020 0.000 0.207 248 L C 2.816 179.704 176.870 0.030 0.000 1.078 248 L CA 1.986 56.845 54.840 0.033 0.000 0.749 248 L CB -1.144 40.938 42.059 0.039 0.000 0.901 248 L HN 0.463 nan 8.230 nan 0.000 0.433 249 Q N -0.945 118.861 119.800 0.011 0.000 2.061 249 Q HA -0.280 4.048 4.340 -0.020 0.000 0.204 249 Q C 2.135 178.136 176.000 0.001 0.000 0.984 249 Q CA 2.222 58.022 55.803 -0.005 0.000 0.846 249 Q CB -0.207 28.522 28.738 -0.014 0.000 0.902 249 Q HN 0.674 nan 8.270 nan 0.000 0.421 250 Q N -0.403 119.404 119.800 0.011 0.000 2.084 250 Q HA -0.110 4.218 4.340 -0.020 0.000 0.202 250 Q C 2.147 178.173 176.000 0.043 0.000 0.978 250 Q CA 1.159 56.974 55.803 0.020 0.000 0.844 250 Q CB -0.314 28.437 28.738 0.022 0.000 0.898 250 Q HN 0.608 nan 8.270 nan 0.000 0.426 251 G N 1.407 110.240 108.800 0.055 0.000 2.476 251 G HA2 -0.271 3.676 3.960 -0.020 0.000 0.218 251 G HA3 -0.271 3.676 3.960 -0.020 0.000 0.218 251 G C 1.423 176.390 174.900 0.111 0.000 1.164 251 G CA 0.910 46.063 45.100 0.090 0.000 0.768 251 G HN 0.241 nan 8.290 nan 0.000 0.560 252 I N 0.473 121.091 120.570 0.081 0.000 2.151 252 I HA -0.284 3.874 4.170 -0.020 0.000 0.243 252 I C 3.103 179.251 176.117 0.052 0.000 1.080 252 I CA 1.529 62.865 61.300 0.060 0.000 1.339 252 I CB -0.343 37.635 38.000 -0.036 0.000 1.039 252 I HN 0.296 nan 8.210 nan 0.000 0.409 253 Q N 0.407 120.221 119.800 0.023 0.000 2.084 253 Q HA -0.174 4.153 4.340 -0.020 0.000 0.202 253 Q C 2.400 178.433 176.000 0.055 0.000 0.978 253 Q CA 1.300 57.109 55.803 0.011 0.000 0.844 253 Q CB -0.191 28.541 28.738 -0.009 0.000 0.898 253 Q HN 0.560 nan 8.270 nan 0.000 0.426 254 L N 0.232 121.511 121.223 0.095 0.000 2.131 254 L HA -0.147 4.181 4.340 -0.020 0.000 0.210 254 L C 2.424 179.446 176.870 0.253 0.000 1.092 254 L CA 0.800 55.735 54.840 0.158 0.000 0.759 254 L CB -0.554 41.605 42.059 0.166 0.000 0.903 254 L HN 0.192 nan 8.230 nan 0.000 0.435 255 A N -0.729 122.242 122.820 0.251 0.000 2.066 255 A HA -0.161 4.146 4.320 -0.020 0.000 0.218 255 A C 2.030 179.840 177.584 0.377 0.000 1.157 255 A CA 1.049 53.299 52.037 0.355 0.000 0.670 255 A CB -0.211 19.052 19.000 0.437 0.000 0.804 255 A HN 0.485 nan 8.150 nan 0.000 0.453 256 Q N 0.090 120.020 119.800 0.217 0.000 2.280 256 Q HA 0.196 4.524 4.340 -0.020 0.000 0.201 256 Q C -0.154 175.863 176.000 0.029 0.000 0.890 256 Q CA -0.330 55.542 55.803 0.115 0.000 0.947 256 Q CB 0.411 29.142 28.738 -0.012 0.000 1.081 256 Q HN 0.488 nan 8.270 nan 0.000 0.502 257 S N 0.900 116.601 115.700 0.003 0.000 2.593 257 S HA 0.248 4.706 4.470 -0.020 0.000 0.269 257 S C 0.085 174.479 174.600 -0.343 0.000 1.334 257 S CA -0.238 57.814 58.200 -0.248 0.000 1.015 257 S CB 0.618 63.558 63.200 -0.433 0.000 0.912 257 S HN 0.233 nan 8.310 nan 0.000 0.541 258 R N 1.386 121.645 120.500 -0.401 0.000 2.215 258 R HA 0.251 4.579 4.340 -0.020 0.000 0.337 258 R C -0.378 175.718 176.300 -0.340 0.000 1.010 258 R CA -0.162 55.806 56.100 -0.220 0.000 0.871 258 R CB 0.392 30.563 30.300 -0.214 0.000 1.134 258 R HN 0.686 nan 8.270 nan 0.000 0.477 259 Y N 0.686 120.982 120.300 -0.007 0.000 2.436 259 Y HA 0.114 4.652 4.550 -0.020 0.000 0.288 259 Y C 0.164 175.760 175.900 -0.506 0.000 1.112 259 Y CA 0.373 58.299 58.100 -0.290 0.000 1.220 259 Y CB 0.459 38.740 38.460 -0.298 0.000 1.073 259 Y HN 0.463 nan 8.280 nan 0.000 0.552 260 W N -0.683 120.794 121.300 0.295 0.000 3.075 260 W HA 0.555 5.203 4.660 -0.020 0.000 0.334 260 W C -1.004 175.634 176.519 0.199 0.000 1.243 260 W CA -1.110 56.364 57.345 0.216 0.000 1.170 260 W CB 0.992 30.562 29.460 0.183 0.000 1.452 260 W HN -0.471 nan 8.180 nan 0.000 0.572 261 Q N 1.254 121.265 119.800 0.352 0.000 2.323 261 Q HA 0.645 4.973 4.340 -0.020 0.000 0.271 261 Q C -1.375 174.645 176.000 0.033 0.000 1.048 261 Q CA -0.477 55.357 55.803 0.052 0.000 0.792 261 Q CB 2.555 31.224 28.738 -0.115 0.000 1.280 261 Q HN 0.462 nan 8.270 nan 0.000 0.441 262 T N 2.335 116.863 114.554 -0.044 0.000 3.011 262 T HA 0.647 4.985 4.350 -0.020 0.000 0.303 262 T C 0.342 174.994 174.700 -0.080 0.000 0.997 262 T CA 0.772 62.850 62.100 -0.036 0.000 1.007 262 T CB 0.873 69.738 68.868 -0.004 0.000 1.017 262 T HN 1.136 nan 8.240 nan 0.000 0.443 263 G N 5.102 113.853 108.800 -0.081 0.000 2.574 263 G HA2 -0.262 3.686 3.960 -0.020 0.000 0.286 263 G HA3 -0.262 3.686 3.960 -0.020 0.000 0.286 263 G C 0.137 174.954 174.900 -0.138 0.000 1.212 263 G CA 0.676 45.724 45.100 -0.087 0.000 0.979 263 G HN 1.154 nan 8.290 nan 0.000 0.557 264 D N -0.149 120.170 120.400 -0.133 0.000 2.525 264 D HA 0.337 4.965 4.640 -0.020 0.000 0.229 264 D C 0.936 177.108 176.300 -0.212 0.000 1.202 264 D CA 0.069 53.964 54.000 -0.176 0.000 0.828 264 D CB 0.075 40.816 40.800 -0.098 0.000 1.008 264 D HN 0.590 nan 8.370 nan 0.000 0.493 265 M N 0.832 120.306 119.600 -0.211 0.000 2.508 265 M HA 0.427 4.895 4.480 -0.020 0.000 0.327 265 M C -1.813 174.369 176.300 -0.196 0.000 1.160 265 M CA -0.577 54.674 55.300 -0.081 0.000 0.980 265 M CB 1.863 34.503 32.600 0.067 0.000 1.693 265 M HN -0.149 nan 8.290 nan 0.000 0.452 266 Y N 1.683 122.087 120.300 0.173 0.000 2.393 266 Y HA 0.406 4.944 4.550 -0.020 0.000 0.341 266 Y C -0.246 175.814 175.900 0.267 0.000 0.988 266 Y CA -0.658 57.560 58.100 0.197 0.000 1.078 266 Y CB 1.588 40.130 38.460 0.136 0.000 1.203 266 Y HN 0.595 nan 8.280 nan 0.000 0.453 267 Q N 1.779 121.870 119.800 0.485 0.000 2.256 267 Q HA 0.605 4.932 4.340 -0.020 0.000 0.254 267 Q C -0.082 176.228 176.000 0.517 0.000 0.916 267 Q CA -0.162 55.937 55.803 0.492 0.000 0.932 267 Q CB 1.298 30.354 28.738 0.529 0.000 1.207 267 Q HN 0.903 nan 8.270 nan 0.000 0.426 268 G N 2.560 111.640 108.800 0.467 0.000 3.008 268 G HA2 0.503 4.451 3.960 -0.020 0.000 0.181 268 G HA3 0.503 4.451 3.960 -0.020 0.000 0.181 268 G C -1.048 174.052 174.900 0.334 0.000 1.309 268 G CA -0.851 44.548 45.100 0.498 0.000 1.009 268 G HN 0.574 nan 8.290 nan 0.000 0.584 269 L N 1.415 122.813 121.223 0.292 0.000 2.288 269 L HA 0.448 4.776 4.340 -0.020 0.000 0.283 269 L C 1.352 178.306 176.870 0.141 0.000 1.072 269 L CA 0.510 55.403 54.840 0.088 0.000 0.862 269 L CB 0.309 42.425 42.059 0.094 0.000 1.245 269 L HN 1.078 nan 8.230 nan 0.000 0.432 270 G N 2.049 110.905 108.800 0.093 0.000 4.526 270 G HA2 -0.295 3.653 3.960 -0.020 0.000 0.217 270 G HA3 -0.295 3.653 3.960 -0.020 0.000 0.217 270 G C -0.013 174.973 174.900 0.142 0.000 1.428 270 G CA -0.264 44.880 45.100 0.073 0.000 0.928 270 G HN 0.490 nan 8.290 nan 0.000 0.639 271 W N 2.358 123.811 121.300 0.255 0.000 2.148 271 W HA 0.566 5.215 4.660 -0.020 0.000 0.347 271 W C 0.850 177.539 176.519 0.284 0.000 1.288 271 W CA 0.016 57.508 57.345 0.246 0.000 1.252 271 W CB 0.357 29.928 29.460 0.185 0.000 1.156 271 W HN 0.354 nan 8.180 nan 0.000 0.580 272 E N 1.292 121.864 120.200 0.620 0.000 2.266 272 E HA 0.553 4.891 4.350 -0.020 0.000 0.268 272 E C -0.893 175.986 176.600 0.465 0.000 0.879 272 E CA -1.135 55.581 56.400 0.526 0.000 0.762 272 E CB 1.857 31.875 29.700 0.531 0.000 1.199 272 E HN 0.165 nan 8.360 nan 0.000 0.422 273 M N 1.792 121.615 119.600 0.371 0.000 2.619 273 M HA 0.524 4.992 4.480 -0.020 0.000 0.297 273 M C -1.508 174.997 176.300 0.342 0.000 1.229 273 M CA -0.444 55.013 55.300 0.260 0.000 0.860 273 M CB 1.699 34.393 32.600 0.157 0.000 1.741 273 M HN 0.311 nan 8.290 nan 0.000 0.462 274 L N 0.141 121.531 121.223 0.278 0.000 2.424 274 L HA 0.535 4.863 4.340 -0.020 0.000 0.258 274 L C -0.952 176.074 176.870 0.260 0.000 0.995 274 L CA -0.650 54.366 54.840 0.294 0.000 0.821 274 L CB 2.017 44.159 42.059 0.139 0.000 1.383 274 L HN 0.571 nan 8.230 nan 0.000 0.410 275 D N 0.904 121.449 120.400 0.243 0.000 2.389 275 D HA 0.019 4.647 4.640 -0.020 0.000 0.247 275 D C -0.945 175.478 176.300 0.204 0.000 1.128 275 D CA 0.092 54.201 54.000 0.181 0.000 0.884 275 D CB 1.329 42.208 40.800 0.131 0.000 1.194 275 D HN 0.358 nan 8.370 nan 0.000 0.441 276 W N 4.845 126.197 121.300 0.087 0.000 2.417 276 W HA 0.265 4.913 4.660 -0.021 0.000 0.317 276 W C -2.314 174.251 176.519 0.077 0.000 1.121 276 W CA -1.812 55.602 57.345 0.116 0.000 1.208 276 W CB 1.084 30.635 29.460 0.150 0.000 1.253 276 W HN 0.233 nan 8.180 nan 0.000 0.533 277 P HA 0.160 nan 4.420 nan 0.000 0.274 277 P C -0.593 176.358 177.300 -0.581 0.000 1.231 277 P CA 0.057 62.409 63.100 -1.246 0.000 0.790 277 P CB 1.725 32.883 31.700 -0.904 0.000 0.951 278 V N -0.892 118.662 119.914 -0.600 0.000 3.019 278 V HA 0.500 4.608 4.120 -0.020 0.000 0.317 278 V C 0.018 175.810 176.094 -0.502 0.000 1.094 278 V CA -1.234 60.832 62.300 -0.391 0.000 1.000 278 V CB 1.532 33.142 31.823 -0.355 0.000 1.060 278 V HN 0.693 nan 8.190 nan 0.000 0.443 279 N N 3.120 121.556 118.700 -0.440 0.000 2.420 279 N HA 0.310 5.038 4.740 -0.020 0.000 0.249 279 N C -1.393 173.728 175.510 -0.648 0.000 1.033 279 N CA -1.699 51.073 53.050 -0.464 0.000 0.944 279 N CB 1.807 40.114 38.487 -0.301 0.000 1.113 279 N HN 0.600 nan 8.380 nan 0.000 0.502 280 P HA -0.180 nan 4.420 nan 0.000 0.217 280 P C 0.223 177.144 177.300 -0.631 0.000 1.151 280 P CA 1.419 63.798 63.100 -1.201 0.000 0.849 280 P CB 0.300 30.844 31.700 -1.928 0.000 0.787 281 D N -0.625 119.504 120.400 -0.452 0.000 2.218 281 D HA -0.114 4.514 4.640 -0.020 0.000 0.204 281 D C 2.254 178.413 176.300 -0.234 0.000 0.976 281 D CA 1.217 55.050 54.000 -0.279 0.000 0.853 281 D CB -0.595 40.080 40.800 -0.210 0.000 0.939 281 D HN 0.155 nan 8.370 nan 0.000 0.481 282 S N -0.421 115.120 115.700 -0.265 0.000 2.387 282 S HA -0.060 4.398 4.470 -0.020 0.000 0.226 282 S C 1.921 176.419 174.600 -0.170 0.000 1.026 282 S CA 0.712 58.793 58.200 -0.199 0.000 0.972 282 S CB -0.170 62.909 63.200 -0.201 0.000 0.814 282 S HN 0.406 nan 8.310 nan 0.000 0.477 283 I N -1.182 119.246 120.570 -0.237 0.000 2.584 283 I HA 0.096 4.253 4.170 -0.020 0.000 0.255 283 I C 2.043 178.116 176.117 -0.072 0.000 1.145 283 I CA 0.688 61.912 61.300 -0.127 0.000 1.462 283 I CB -0.505 37.340 38.000 -0.258 0.000 1.102 283 I HN 0.201 nan 8.210 nan 0.000 0.433 284 I N 2.182 122.658 120.570 -0.157 0.000 2.133 284 I HA -0.222 3.936 4.170 -0.020 0.000 0.238 284 I C 2.326 178.388 176.117 -0.091 0.000 1.074 284 I CA 1.519 62.748 61.300 -0.117 0.000 1.342 284 I CB -0.674 37.240 38.000 -0.144 0.000 1.053 284 I HN 0.287 nan 8.210 nan 0.000 0.404 285 N N 1.216 119.857 118.700 -0.100 0.000 2.188 285 N HA -0.110 4.617 4.740 -0.020 0.000 0.184 285 N C 1.864 177.336 175.510 -0.064 0.000 1.018 285 N CA 1.577 54.580 53.050 -0.078 0.000 0.858 285 N CB -0.640 37.799 38.487 -0.081 0.000 0.989 285 N HN 0.429 nan 8.380 nan 0.000 0.426 286 G N 0.520 109.285 108.800 -0.058 0.000 2.471 286 G HA2 -0.198 3.750 3.960 -0.020 0.000 0.219 286 G HA3 -0.198 3.750 3.960 -0.020 0.000 0.219 286 G C 1.621 176.506 174.900 -0.025 0.000 1.125 286 G CA 1.105 46.185 45.100 -0.033 0.000 0.775 286 G HN 0.497 nan 8.290 nan 0.000 0.548 287 S N -0.272 115.409 115.700 -0.031 0.000 2.489 287 S HA 0.002 4.460 4.470 -0.020 0.000 0.228 287 S C 0.826 175.371 174.600 -0.093 0.000 0.995 287 S CA 0.112 58.276 58.200 -0.059 0.000 0.934 287 S CB -0.032 63.120 63.200 -0.080 0.000 0.771 287 S HN 0.274 nan 8.310 nan 0.000 0.522 288 D N 2.038 122.392 120.400 -0.078 0.000 2.455 288 D HA 0.076 4.704 4.640 -0.020 0.000 0.241 288 D C 0.531 176.783 176.300 -0.080 0.000 1.138 288 D CA 0.028 53.983 54.000 -0.075 0.000 0.877 288 D CB 0.534 41.299 40.800 -0.058 0.000 1.187 288 D HN 0.063 nan 8.370 nan 0.000 0.451 289 N N 3.252 121.903 118.700 -0.081 0.000 2.348 289 N HA -0.154 4.574 4.740 -0.020 0.000 0.185 289 N C 1.350 176.826 175.510 -0.058 0.000 1.019 289 N CA 0.728 53.729 53.050 -0.083 0.000 0.880 289 N CB 0.018 38.465 38.487 -0.067 0.000 0.965 289 N HN 0.517 nan 8.380 nan 0.000 0.437 290 K N 0.260 120.633 120.400 -0.044 0.000 2.127 290 K HA -0.107 4.201 4.320 -0.020 0.000 0.208 290 K C 1.738 178.317 176.600 -0.035 0.000 1.047 290 K CA 1.109 57.376 56.287 -0.032 0.000 0.927 290 K CB 0.032 32.514 32.500 -0.030 0.000 0.716 290 K HN 0.258 nan 8.250 nan 0.000 0.450 291 I N -0.895 119.647 120.570 -0.047 0.000 3.300 291 I HA -0.007 4.151 4.170 -0.020 0.000 0.279 291 I C 2.240 178.322 176.117 -0.059 0.000 1.172 291 I CA 0.260 61.531 61.300 -0.047 0.000 1.431 291 I CB -0.055 37.917 38.000 -0.046 0.000 1.240 291 I HN 0.021 nan 8.210 nan 0.000 0.453 292 A N 1.254 124.021 122.820 -0.089 0.000 1.978 292 A HA -0.109 4.199 4.320 -0.020 0.000 0.220 292 A C 2.083 179.564 177.584 -0.172 0.000 1.170 292 A CA 1.532 53.480 52.037 -0.148 0.000 0.636 292 A CB -0.625 18.245 19.000 -0.217 0.000 0.810 292 A HN 0.446 nan 8.150 nan 0.000 0.448 293 L N -1.215 119.942 121.223 -0.110 0.000 2.640 293 L HA 0.302 4.630 4.340 -0.020 0.000 0.230 293 L C 1.137 178.016 176.870 0.014 0.000 1.123 293 L CA -0.103 54.712 54.840 -0.041 0.000 0.900 293 L CB -0.192 41.853 42.059 -0.022 0.000 1.146 293 L HN 0.322 nan 8.230 nan 0.000 0.484 294 A N 1.003 123.819 122.820 -0.007 0.000 2.407 294 A HA 0.620 4.928 4.320 -0.020 0.000 0.248 294 A C 0.491 178.073 177.584 -0.003 0.000 1.082 294 A CA -0.080 51.960 52.037 0.005 0.000 0.785 294 A CB 0.338 19.329 19.000 -0.015 0.000 1.020 294 A HN 0.219 nan 8.150 nan 0.000 0.489 295 A N 2.564 125.385 122.820 0.001 0.000 2.409 295 A HA 0.623 4.931 4.320 -0.020 0.000 0.262 295 A C 0.320 177.793 177.584 -0.186 0.000 1.113 295 A CA -0.273 51.704 52.037 -0.101 0.000 0.790 295 A CB 0.153 19.094 19.000 -0.098 0.000 1.046 295 A HN 0.740 nan 8.150 nan 0.000 0.496 296 R N 1.640 122.001 120.500 -0.233 0.000 2.698 296 R HA 0.514 4.842 4.340 -0.020 0.000 0.275 296 R C -3.251 172.901 176.300 -0.247 0.000 1.001 296 R CA -2.299 53.681 56.100 -0.201 0.000 0.896 296 R CB 1.373 31.607 30.300 -0.111 0.000 1.218 296 R HN 0.387 nan 8.270 nan 0.000 0.462 297 P HA 0.145 nan 4.420 nan 0.000 0.271 297 P C -0.521 176.714 177.300 -0.108 0.000 1.218 297 P CA -0.407 62.584 63.100 -0.180 0.000 0.780 297 P CB 0.716 32.342 31.700 -0.124 0.000 0.901 298 V N -0.417 119.449 119.914 -0.081 0.000 2.823 298 V HA 0.573 4.680 4.120 -0.020 0.000 0.312 298 V C -0.596 175.598 176.094 0.167 0.000 1.072 298 V CA -1.041 61.277 62.300 0.030 0.000 0.937 298 V CB 2.299 34.096 31.823 -0.043 0.000 1.013 298 V HN 0.258 nan 8.190 nan 0.000 0.430 299 K N 2.860 123.403 120.400 0.239 0.000 2.240 299 K HA 0.744 5.052 4.320 -0.020 0.000 0.271 299 K C 0.166 176.999 176.600 0.388 0.000 1.018 299 K CA -0.266 56.173 56.287 0.252 0.000 0.874 299 K CB 1.943 34.528 32.500 0.141 0.000 1.098 299 K HN 1.073 nan 8.250 nan 0.000 0.458 300 A N 3.994 127.056 122.820 0.403 0.000 2.483 300 A HA 0.180 4.488 4.320 -0.020 0.000 0.238 300 A C 0.111 177.687 177.584 -0.013 0.000 1.070 300 A CA -0.031 52.074 52.037 0.113 0.000 0.770 300 A CB -0.076 18.947 19.000 0.038 0.000 1.008 300 A HN 0.764 nan 8.150 nan 0.000 0.497 301 I N 2.520 122.991 120.570 -0.165 0.000 2.347 301 I HA 0.186 4.344 4.170 -0.020 0.000 0.283 301 I C -0.287 175.744 176.117 -0.142 0.000 1.058 301 I CA -0.002 61.246 61.300 -0.087 0.000 1.202 301 I CB 1.149 39.113 38.000 -0.059 0.000 1.386 301 I HN 0.543 nan 8.210 nan 0.000 0.475 302 T N 6.359 120.862 114.554 -0.084 0.000 2.801 302 T HA 0.415 4.753 4.350 -0.020 0.000 0.306 302 T C -1.578 173.090 174.700 -0.054 0.000 1.020 302 T CA -0.955 61.099 62.100 -0.076 0.000 0.948 302 T CB 0.804 69.647 68.868 -0.042 0.000 0.962 302 T HN 0.450 nan 8.240 nan 0.000 0.465 303 P HA 0.520 nan 4.420 nan 0.000 0.284 303 P C -3.071 174.148 177.300 -0.135 0.000 1.292 303 P CA -2.116 60.931 63.100 -0.089 0.000 0.800 303 P CB 0.034 31.695 31.700 -0.065 0.000 1.188 304 P HA 0.111 nan 4.420 nan 0.000 0.268 304 P C -0.373 176.767 177.300 -0.267 0.000 1.204 304 P CA 0.347 63.255 63.100 -0.319 0.000 0.768 304 P CB -0.022 31.352 31.700 -0.544 0.000 0.842 305 T N 5.911 120.308 114.554 -0.262 0.000 2.814 305 T HA 0.227 4.565 4.350 -0.020 0.000 0.297 305 T C -2.101 172.464 174.700 -0.225 0.000 0.956 305 T CA -0.951 61.022 62.100 -0.212 0.000 1.123 305 T CB -0.175 68.562 68.868 -0.218 0.000 0.902 305 T HN 0.269 nan 8.240 nan 0.000 0.528 306 P HA 0.236 nan 4.420 nan 0.000 0.272 306 P C -0.539 176.681 177.300 -0.134 0.000 1.230 306 P CA -0.533 62.483 63.100 -0.139 0.000 0.788 306 P CB 0.314 31.956 31.700 -0.097 0.000 0.949 307 A N 2.348 125.102 122.820 -0.109 0.000 2.581 307 A HA 0.009 4.317 4.320 -0.020 0.000 0.257 307 A C 0.194 177.719 177.584 -0.098 0.000 1.022 307 A CA 0.324 52.302 52.037 -0.097 0.000 0.812 307 A CB -0.920 18.037 19.000 -0.072 0.000 0.918 307 A HN 0.373 nan 8.150 nan 0.000 0.516 308 V N 6.502 126.350 119.914 -0.110 0.000 2.368 308 V HA 0.098 4.205 4.120 -0.020 0.000 0.266 308 V C 1.599 177.654 176.094 -0.066 0.000 1.045 308 V CA -0.286 61.959 62.300 -0.092 0.000 0.899 308 V CB 0.646 32.400 31.823 -0.115 0.000 1.006 308 V HN 1.054 nan 8.190 nan 0.000 0.470 309 R N 3.737 124.205 120.500 -0.054 0.000 2.117 309 R HA -0.127 4.201 4.340 -0.020 0.000 0.243 309 R C 1.370 177.651 176.300 -0.031 0.000 1.143 309 R CA 1.536 57.605 56.100 -0.051 0.000 0.968 309 R CB -0.126 30.143 30.300 -0.050 0.000 0.863 309 R HN 0.730 nan 8.270 nan 0.000 0.444 310 A N 1.677 124.504 122.820 0.013 0.000 3.077 310 A HA 0.232 4.540 4.320 -0.020 0.000 0.255 310 A C -0.468 177.209 177.584 0.156 0.000 1.728 310 A CA 0.030 52.126 52.037 0.098 0.000 1.383 310 A CB 0.037 19.123 19.000 0.142 0.000 1.097 310 A HN 0.055 nan 8.150 nan 0.000 0.634 311 S N 0.236 115.987 115.700 0.085 0.000 2.570 311 S HA 0.541 4.999 4.470 -0.020 0.000 0.286 311 S C -0.951 173.712 174.600 0.104 0.000 1.099 311 S CA -0.583 57.686 58.200 0.115 0.000 0.913 311 S CB 1.229 64.421 63.200 -0.013 0.000 1.085 311 S HN 0.672 nan 8.310 nan 0.000 0.480 312 W N 3.933 125.238 121.300 0.008 0.000 2.288 312 W HA 0.539 5.187 4.660 -0.021 0.000 0.325 312 W C -1.798 174.547 176.519 -0.289 0.000 1.019 312 W CA -0.602 56.701 57.345 -0.071 0.000 1.403 312 W CB 0.362 29.901 29.460 0.133 0.000 1.226 312 W HN 0.327 nan 8.180 nan 0.000 0.391 313 V N 7.781 127.239 119.914 -0.761 0.000 2.427 313 V HA 0.419 4.527 4.120 -0.020 0.000 0.286 313 V C 0.189 175.846 176.094 -0.729 0.000 1.034 313 V CA -0.184 61.614 62.300 -0.837 0.000 0.893 313 V CB 1.000 31.850 31.823 -1.622 0.000 0.982 313 V HN 0.676 nan 8.190 nan 0.000 0.452 314 H N 2.554 121.564 119.070 -0.100 0.000 2.918 314 H HA 0.892 5.436 4.556 -0.020 0.000 0.303 314 H C -1.283 174.317 175.328 0.452 0.000 1.380 314 H CA -1.334 54.791 56.048 0.130 0.000 1.134 314 H CB 2.151 31.995 29.762 0.136 0.000 1.842 314 H HN 0.438 nan 8.280 nan 0.000 0.533 315 K N 1.086 121.638 120.400 0.253 0.000 2.580 315 K HA 0.240 4.548 4.320 -0.020 0.000 0.258 315 K C -1.366 175.349 176.600 0.190 0.000 0.936 315 K CA 0.003 56.383 56.287 0.154 0.000 0.852 315 K CB 2.081 34.652 32.500 0.118 0.000 1.329 315 K HN 0.928 nan 8.250 nan 0.000 0.430 316 T N -0.144 114.521 114.554 0.184 0.000 2.902 316 T HA 0.867 5.204 4.350 -0.020 0.000 0.280 316 T C 0.317 175.118 174.700 0.168 0.000 0.992 316 T CA -0.427 61.817 62.100 0.239 0.000 1.015 316 T CB 1.606 70.514 68.868 0.067 0.000 1.044 316 T HN 0.651 nan 8.240 nan 0.000 0.520 317 G N -0.776 108.124 108.800 0.167 0.000 2.733 317 G HA2 0.755 4.702 3.960 -0.020 0.000 0.297 317 G HA3 0.755 4.702 3.960 -0.020 0.000 0.297 317 G C -1.492 173.500 174.900 0.154 0.000 1.422 317 G CA -0.555 44.647 45.100 0.170 0.000 0.942 317 G HN 1.176 nan 8.290 nan 0.000 0.510 318 A N 0.491 123.402 122.820 0.152 0.000 2.605 318 A HA 0.972 5.280 4.320 -0.020 0.000 0.294 318 A C -0.091 177.574 177.584 0.134 0.000 1.062 318 A CA 0.145 52.273 52.037 0.152 0.000 0.682 318 A CB 1.527 20.581 19.000 0.089 0.000 1.278 318 A HN 1.942 nan 8.150 nan 0.000 0.410 319 T N -2.120 112.546 114.554 0.186 0.000 2.693 319 T HA 0.653 4.990 4.350 -0.020 0.000 0.278 319 T C 1.280 176.079 174.700 0.166 0.000 0.994 319 T CA 0.191 62.376 62.100 0.142 0.000 1.033 319 T CB 0.935 69.934 68.868 0.219 0.000 1.342 319 T HN 1.635 nan 8.240 nan 0.000 0.538 320 G N -0.478 108.410 108.800 0.148 0.000 2.432 320 G HA2 0.211 4.159 3.960 -0.020 0.000 0.219 320 G HA3 0.211 4.159 3.960 -0.020 0.000 0.219 320 G C 1.165 176.165 174.900 0.167 0.000 1.135 320 G CA 0.615 45.793 45.100 0.130 0.000 0.767 320 G HN 1.140 nan 8.290 nan 0.000 0.550 321 G N -1.293 107.663 108.800 0.260 0.000 3.192 321 G HA2 0.456 4.404 3.960 -0.020 0.000 0.239 321 G HA3 0.456 4.404 3.960 -0.020 0.000 0.239 321 G C -0.318 174.636 174.900 0.090 0.000 1.084 321 G CA -0.419 44.773 45.100 0.154 0.000 0.784 321 G HN 0.184 nan 8.290 nan 0.000 0.540 322 F N -0.264 119.819 119.950 0.222 0.000 2.577 322 F HA 0.718 5.232 4.527 -0.021 0.000 0.318 322 F C 0.352 176.291 175.800 0.232 0.000 1.065 322 F CA -1.234 56.935 58.000 0.282 0.000 0.929 322 F CB 2.485 41.677 39.000 0.320 0.000 1.237 322 F HN -0.005 nan 8.300 nan 0.000 0.468 323 G N 0.714 109.794 108.800 0.467 0.000 2.723 323 G HA2 0.553 4.501 3.960 -0.020 0.000 0.295 323 G HA3 0.553 4.501 3.960 -0.020 0.000 0.295 323 G C -1.461 173.616 174.900 0.295 0.000 1.464 323 G CA -0.687 44.574 45.100 0.268 0.000 1.012 323 G HN 0.757 nan 8.290 nan 0.000 0.522 324 S N 0.984 116.826 115.700 0.237 0.000 2.671 324 S HA 0.874 5.331 4.470 -0.020 0.000 0.299 324 S C -1.424 173.357 174.600 0.302 0.000 1.116 324 S CA -1.020 57.334 58.200 0.258 0.000 0.912 324 S CB 2.492 65.835 63.200 0.239 0.000 1.130 324 S HN 1.149 nan 8.310 nan 0.000 0.501 325 Y N -0.192 120.204 120.300 0.160 0.000 2.480 325 Y HA 0.609 5.146 4.550 -0.021 0.000 0.329 325 Y C -2.046 173.993 175.900 0.233 0.000 1.127 325 Y CA -0.879 57.326 58.100 0.174 0.000 1.037 325 Y CB 1.468 40.026 38.460 0.163 0.000 1.320 325 Y HN 0.768 nan 8.280 nan 0.000 0.446 326 V N 4.623 124.339 119.914 -0.330 0.000 2.638 326 V HA 0.968 5.076 4.120 -0.020 0.000 0.306 326 V C -0.939 174.936 176.094 -0.365 0.000 1.052 326 V CA -0.204 62.020 62.300 -0.127 0.000 0.885 326 V CB 1.561 33.565 31.823 0.300 0.000 0.999 326 V HN 1.015 nan 8.190 nan 0.000 0.424 327 A N 5.085 127.706 122.820 -0.331 0.000 2.517 327 A HA 1.000 5.308 4.320 -0.020 0.000 0.297 327 A C -1.303 175.990 177.584 -0.485 0.000 1.050 327 A CA -0.479 51.232 52.037 -0.544 0.000 0.694 327 A CB 1.615 20.221 19.000 -0.657 0.000 1.277 327 A HN 1.391 nan 8.150 nan 0.000 0.400 328 F N -0.369 119.152 119.950 -0.715 0.000 2.668 328 F HA 0.834 5.348 4.527 -0.021 0.000 0.309 328 F C -1.378 174.066 175.800 -0.593 0.000 1.117 328 F CA -1.310 56.330 58.000 -0.601 0.000 0.951 328 F CB 1.290 40.001 39.000 -0.481 0.000 1.323 328 F HN 0.300 nan 8.300 nan 0.000 0.451 329 I N 3.020 123.412 120.570 -0.296 0.000 2.464 329 I HA 0.319 4.477 4.170 -0.020 0.000 0.277 329 I C -2.038 173.978 176.117 -0.169 0.000 1.040 329 I CA -1.919 59.183 61.300 -0.330 0.000 1.153 329 I CB 1.712 39.376 38.000 -0.561 0.000 1.274 329 I HN 0.409 nan 8.210 nan 0.000 0.469 330 P HA -0.249 nan 4.420 nan 0.000 0.215 330 P C 1.436 178.662 177.300 -0.123 0.000 1.163 330 P CA 1.327 64.386 63.100 -0.068 0.000 0.894 330 P CB 0.278 31.951 31.700 -0.045 0.000 0.791 331 E N -0.377 119.748 120.200 -0.125 0.000 2.160 331 E HA -0.227 4.111 4.350 -0.020 0.000 0.195 331 E C 1.146 177.658 176.600 -0.146 0.000 0.991 331 E CA 1.082 57.414 56.400 -0.114 0.000 0.810 331 E CB -0.070 29.585 29.700 -0.075 0.000 0.742 331 E HN 0.081 nan 8.360 nan 0.000 0.466 332 K N 0.254 120.526 120.400 -0.213 0.000 2.374 332 K HA 0.046 4.354 4.320 -0.020 0.000 0.196 332 K C -0.150 176.316 176.600 -0.225 0.000 1.023 332 K CA 0.170 56.319 56.287 -0.230 0.000 1.103 332 K CB 0.434 32.742 32.500 -0.319 0.000 0.848 332 K HN 0.172 nan 8.250 nan 0.000 0.528 333 E N 0.744 120.825 120.200 -0.199 0.000 2.297 333 E HA -0.229 4.109 4.350 -0.020 0.000 0.228 333 E C -0.808 175.672 176.600 -0.200 0.000 1.213 333 E CA 0.225 56.509 56.400 -0.192 0.000 0.712 333 E CB -1.318 28.268 29.700 -0.189 0.000 1.202 333 E HN 0.026 nan 8.360 nan 0.000 0.376 334 L N -0.243 120.863 121.223 -0.195 0.000 2.410 334 L HA 0.803 5.130 4.340 -0.020 0.000 0.270 334 L C 0.091 176.878 176.870 -0.139 0.000 0.983 334 L CA 0.206 54.947 54.840 -0.164 0.000 0.822 334 L CB 2.053 43.987 42.059 -0.209 0.000 1.285 334 L HN 0.074 nan 8.230 nan 0.000 0.409 335 G N 4.166 112.920 108.800 -0.078 0.000 2.649 335 G HA2 0.659 4.607 3.960 -0.020 0.000 0.290 335 G HA3 0.659 4.607 3.960 -0.020 0.000 0.290 335 G C -2.181 172.718 174.900 -0.003 0.000 1.426 335 G CA -0.442 44.623 45.100 -0.059 0.000 0.794 335 G HN 0.814 nan 8.290 nan 0.000 0.483 336 I N -0.429 120.148 120.570 0.011 0.000 2.841 336 I HA 0.637 4.795 4.170 -0.020 0.000 0.298 336 I C -1.524 174.655 176.117 0.105 0.000 1.304 336 I CA -0.952 60.398 61.300 0.084 0.000 1.019 336 I CB 2.268 40.339 38.000 0.118 0.000 1.282 336 I HN 0.402 nan 8.210 nan 0.000 0.432 337 V N 7.260 127.271 119.914 0.162 0.000 2.531 337 V HA 0.515 4.623 4.120 -0.020 0.000 0.301 337 V C -0.487 175.735 176.094 0.212 0.000 1.034 337 V CA -0.410 62.000 62.300 0.182 0.000 0.865 337 V CB 1.830 33.772 31.823 0.197 0.000 0.995 337 V HN 0.636 nan 8.190 nan 0.000 0.424 338 M N 6.353 126.090 119.600 0.229 0.000 2.085 338 M HA 0.585 5.053 4.480 -0.020 0.000 0.309 338 M C -1.294 175.114 176.300 0.180 0.000 0.947 338 M CA -0.144 55.301 55.300 0.243 0.000 0.918 338 M CB 1.669 34.472 32.600 0.338 0.000 1.504 338 M HN 0.381 nan 8.290 nan 0.000 0.420 339 L N 3.029 124.262 121.223 0.017 0.000 2.333 339 L HA 0.967 5.295 4.340 -0.020 0.000 0.280 339 L C -0.348 176.443 176.870 -0.132 0.000 1.004 339 L CA -0.680 54.022 54.840 -0.230 0.000 0.820 339 L CB 1.711 43.225 42.059 -0.908 0.000 1.247 339 L HN 0.779 nan 8.230 nan 0.000 0.416 340 A N 2.106 125.098 122.820 0.286 0.000 2.475 340 A HA 0.575 4.883 4.320 -0.020 0.000 0.301 340 A C -0.531 177.420 177.584 0.611 0.000 1.059 340 A CA -0.780 51.551 52.037 0.490 0.000 0.710 340 A CB 1.307 20.561 19.000 0.423 0.000 1.288 340 A HN 0.743 nan 8.150 nan 0.000 0.408 341 N N 1.381 120.336 118.700 0.426 0.000 3.052 341 N HA 0.222 4.950 4.740 -0.020 0.000 0.302 341 N C -0.545 174.944 175.510 -0.035 0.000 1.332 341 N CA -0.114 52.831 53.050 -0.174 0.000 1.129 341 N CB 0.194 38.547 38.487 -0.223 0.000 1.436 341 N HN 0.613 nan 8.380 nan 0.000 0.536 342 K N 0.184 120.669 120.400 0.141 0.000 2.570 342 K HA 0.170 4.478 4.320 -0.020 0.000 0.256 342 K C -1.713 175.079 176.600 0.321 0.000 0.939 342 K CA -0.615 55.794 56.287 0.203 0.000 0.833 342 K CB 1.061 33.677 32.500 0.194 0.000 1.318 342 K HN -0.010 nan 8.250 nan 0.000 0.433 343 N N 4.212 123.059 118.700 0.245 0.000 2.807 343 N HA 0.095 4.823 4.740 -0.020 0.000 0.259 343 N C -1.228 174.399 175.510 0.195 0.000 1.149 343 N CA -0.123 53.047 53.050 0.201 0.000 1.042 343 N CB -0.203 38.371 38.487 0.145 0.000 1.367 343 N HN 0.431 nan 8.380 nan 0.000 0.516 344 Y N 1.224 121.573 120.300 0.083 0.000 2.374 344 Y HA 0.717 5.254 4.550 -0.021 0.000 0.322 344 Y C -2.385 173.538 175.900 0.038 0.000 1.275 344 Y CA -3.387 54.745 58.100 0.053 0.000 1.307 344 Y CB -0.792 37.695 38.460 0.046 0.000 1.282 344 Y HN 0.238 nan 8.280 nan 0.000 0.509 345 P HA -0.012 nan 4.420 nan 0.000 0.262 345 P C 0.152 177.333 177.300 -0.199 0.000 1.182 345 P CA 0.370 63.429 63.100 -0.069 0.000 0.761 345 P CB 0.639 32.347 31.700 0.014 0.000 0.795 346 N N 4.983 123.564 118.700 -0.198 0.000 2.061 346 N HA -0.158 4.570 4.740 -0.020 0.000 0.193 346 N C -0.854 174.535 175.510 -0.201 0.000 1.030 346 N CA 1.935 54.845 53.050 -0.233 0.000 0.856 346 N CB -1.910 36.471 38.487 -0.177 0.000 1.023 346 N HN 0.440 nan 8.380 nan 0.000 0.424 347 P HA -0.121 nan 4.420 nan 0.000 0.215 347 P C 1.140 178.413 177.300 -0.045 0.000 1.157 347 P CA 1.927 64.977 63.100 -0.082 0.000 0.874 347 P CB -0.124 31.544 31.700 -0.052 0.000 0.790 348 A N -0.407 122.416 122.820 0.005 0.000 1.972 348 A HA -0.219 4.089 4.320 -0.020 0.000 0.219 348 A C 2.197 179.860 177.584 0.130 0.000 1.169 348 A CA 1.436 53.531 52.037 0.098 0.000 0.635 348 A CB -0.941 18.182 19.000 0.205 0.000 0.810 348 A HN 0.103 nan 8.150 nan 0.000 0.446 349 R N -0.629 119.881 120.500 0.018 0.000 2.070 349 R HA -0.083 4.245 4.340 -0.020 0.000 0.233 349 R C 2.020 178.257 176.300 -0.104 0.000 1.137 349 R CA 1.568 57.662 56.100 -0.011 0.000 0.945 349 R CB -0.788 29.344 30.300 -0.279 0.000 0.845 349 R HN 0.367 nan 8.270 nan 0.000 0.430 350 V N 1.802 121.529 119.914 -0.312 0.000 2.407 350 V HA -0.241 3.867 4.120 -0.020 0.000 0.248 350 V C 2.047 178.227 176.094 0.144 0.000 1.055 350 V CA 1.956 64.142 62.300 -0.190 0.000 1.049 350 V CB -0.556 31.164 31.823 -0.172 0.000 0.662 350 V HN 0.310 nan 8.190 nan 0.000 0.455 351 D N 0.368 120.826 120.400 0.098 0.000 2.117 351 D HA -0.142 4.486 4.640 -0.020 0.000 0.197 351 D C 2.175 178.624 176.300 0.249 0.000 0.987 351 D CA 1.682 55.786 54.000 0.174 0.000 0.829 351 D CB -0.011 40.849 40.800 0.099 0.000 0.961 351 D HN 0.391 nan 8.370 nan 0.000 0.460 352 A N 0.665 123.602 122.820 0.194 0.000 1.898 352 A HA 0.046 4.353 4.320 -0.020 0.000 0.216 352 A C 2.388 180.116 177.584 0.241 0.000 1.181 352 A CA 2.217 54.360 52.037 0.176 0.000 0.620 352 A CB -0.843 18.238 19.000 0.136 0.000 0.819 352 A HN 0.284 nan 8.150 nan 0.000 0.442 353 A N -0.992 122.042 122.820 0.357 0.000 1.933 353 A HA -0.175 4.133 4.320 -0.020 0.000 0.218 353 A C 2.106 180.018 177.584 0.546 0.000 1.175 353 A CA 1.384 53.713 52.037 0.486 0.000 0.628 353 A CB -0.915 18.559 19.000 0.789 0.000 0.814 353 A HN 0.891 nan 8.150 nan 0.000 0.444 354 W N 0.642 122.182 121.300 0.400 0.000 2.354 354 W HA -0.204 4.444 4.660 -0.021 0.000 0.315 354 W C 1.878 178.537 176.519 0.234 0.000 1.206 354 W CA 2.018 59.552 57.345 0.315 0.000 1.290 354 W CB -0.399 29.112 29.460 0.086 0.000 1.152 354 W HN 0.366 nan 8.180 nan 0.000 0.489 355 Q N 0.882 120.679 119.800 -0.004 0.000 2.077 355 Q HA -0.227 4.101 4.340 -0.020 0.000 0.206 355 Q C 2.308 178.211 176.000 -0.162 0.000 0.989 355 Q CA 2.243 57.954 55.803 -0.153 0.000 0.853 355 Q CB -1.099 27.668 28.738 0.048 0.000 0.907 355 Q HN 0.511 nan 8.270 nan 0.000 0.418 356 I N 0.345 120.897 120.570 -0.029 0.000 2.099 356 I HA -0.303 3.855 4.170 -0.020 0.000 0.239 356 I C 2.389 178.488 176.117 -0.030 0.000 1.066 356 I CA 1.098 62.386 61.300 -0.019 0.000 1.324 356 I CB -0.355 37.666 38.000 0.035 0.000 1.037 356 I HN 0.148 nan 8.210 nan 0.000 0.401 357 L N 0.194 121.432 121.223 0.026 0.000 2.056 357 L HA -0.246 4.082 4.340 -0.020 0.000 0.207 357 L C 2.422 179.247 176.870 -0.076 0.000 1.078 357 L CA 1.579 56.436 54.840 0.028 0.000 0.749 357 L CB -0.891 41.266 42.059 0.163 0.000 0.901 357 L HN 0.444 nan 8.230 nan 0.000 0.433 358 N N 0.474 118.978 118.700 -0.327 0.000 2.104 358 N HA -0.212 4.516 4.740 -0.020 0.000 0.190 358 N C 1.769 177.167 175.510 -0.188 0.000 1.024 358 N CA 1.309 54.093 53.050 -0.443 0.000 0.853 358 N CB 0.103 37.849 38.487 -1.235 0.000 1.008 358 N HN 0.318 nan 8.380 nan 0.000 0.424 359 A N 0.737 123.452 122.820 -0.174 0.000 2.125 359 A HA -0.011 4.297 4.320 -0.020 0.000 0.219 359 A C 1.741 179.312 177.584 -0.021 0.000 1.156 359 A CA 0.694 52.683 52.037 -0.080 0.000 0.671 359 A CB -0.209 18.745 19.000 -0.077 0.000 0.794 359 A HN 0.363 nan 8.150 nan 0.000 0.459 360 L N -1.309 119.917 121.223 0.005 0.000 2.700 360 L HA 0.451 4.779 4.340 -0.020 0.000 0.234 360 L C 0.821 177.752 176.870 0.102 0.000 1.156 360 L CA 0.365 55.260 54.840 0.092 0.000 0.946 360 L CB -0.684 41.469 42.059 0.156 0.000 1.216 360 L HN 0.654 nan 8.230 nan 0.000 0.493 361 Q N 0.000 119.840 119.800 0.066 0.000 2.315 361 Q HA 0.000 4.328 4.340 -0.020 0.000 0.214 361 Q CA 0.000 55.855 55.803 0.087 0.000 1.022 361 Q CB 0.000 28.759 28.738 0.035 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481