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 1l0g_1_A DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG GVSKTFTGVL 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 IXXXDNKIAL 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 0.000 177.477 177.584 -0.179 0.000 1.274 4 A CA 0.000 51.948 52.037 -0.149 0.000 0.836 4 A CB 0.000 18.914 19.000 -0.143 0.000 0.831 5 P HA 0.127 nan 4.420 nan 0.000 0.265 5 P C 0.843 178.049 177.300 -0.157 0.000 1.187 5 P CA 0.131 63.095 63.100 -0.225 0.000 0.766 5 P CB 0.545 32.041 31.700 -0.340 0.000 0.820 6 Q N 1.872 121.620 119.800 -0.088 0.000 2.135 6 Q HA -0.299 4.029 4.340 -0.020 0.000 0.204 6 Q C 1.953 177.919 176.000 -0.058 0.000 0.981 6 Q CA 1.617 57.393 55.803 -0.045 0.000 0.856 6 Q CB -0.051 28.671 28.738 -0.027 0.000 0.902 6 Q HN 0.526 nan 8.270 nan 0.000 0.425 7 Q N 0.075 119.812 119.800 -0.106 0.000 2.084 7 Q HA -0.193 4.135 4.340 -0.020 0.000 0.202 7 Q C 1.951 177.867 176.000 -0.140 0.000 0.978 7 Q CA 1.666 57.400 55.803 -0.116 0.000 0.844 7 Q CB -0.110 28.537 28.738 -0.152 0.000 0.898 7 Q HN 0.527 nan 8.270 nan 0.000 0.426 8 I N 0.736 121.174 120.570 -0.219 0.000 2.202 8 I HA -0.248 3.910 4.170 -0.020 0.000 0.242 8 I C 2.307 178.384 176.117 -0.067 0.000 1.091 8 I CA 1.251 62.431 61.300 -0.200 0.000 1.368 8 I CB -0.497 37.310 38.000 -0.322 0.000 1.058 8 I HN 0.348 nan 8.210 nan 0.000 0.410 9 N N 1.267 120.004 118.700 0.061 0.000 2.036 9 N HA -0.254 4.474 4.740 -0.020 0.000 0.195 9 N C 1.472 177.095 175.510 0.189 0.000 1.037 9 N CA 2.149 55.352 53.050 0.255 0.000 0.855 9 N CB -0.034 38.600 38.487 0.245 0.000 1.033 9 N HN 0.198 nan 8.380 nan 0.000 0.423 10 D N -0.163 120.288 120.400 0.086 0.000 2.097 10 D HA -0.126 4.503 4.640 -0.020 0.000 0.195 10 D C 1.895 178.218 176.300 0.037 0.000 0.989 10 D CA 0.710 54.754 54.000 0.074 0.000 0.827 10 D CB -0.432 40.387 40.800 0.032 0.000 0.966 10 D HN 0.362 nan 8.370 nan 0.000 0.456 11 I N 0.421 120.977 120.570 -0.022 0.000 2.315 11 I HA -0.192 3.966 4.170 -0.020 0.000 0.248 11 I C 2.061 178.135 176.117 -0.071 0.000 1.117 11 I CA 0.830 62.110 61.300 -0.034 0.000 1.404 11 I CB -0.013 37.959 38.000 -0.046 0.000 1.071 11 I HN -0.188 nan 8.210 nan 0.000 0.419 12 V N 0.235 120.041 119.914 -0.180 0.000 2.295 12 V HA -0.327 3.781 4.120 -0.020 0.000 0.246 12 V C 2.367 178.341 176.094 -0.200 0.000 1.049 12 V CA 2.406 64.513 62.300 -0.323 0.000 1.024 12 V CB -1.081 30.216 31.823 -0.877 0.000 0.648 12 V HN 0.482 nan 8.190 nan 0.000 0.447 13 H N -0.250 118.807 119.070 -0.023 0.000 2.389 13 H HA -0.035 4.509 4.556 -0.020 0.000 0.299 13 H C 2.480 177.849 175.328 0.068 0.000 1.081 13 H CA 1.387 57.518 56.048 0.140 0.000 1.345 13 H CB -0.037 29.829 29.762 0.174 0.000 1.393 13 H HN 0.259 nan 8.280 nan 0.000 0.520 14 R N -0.533 120.048 120.500 0.136 0.000 2.235 14 R HA -0.035 4.293 4.340 -0.020 0.000 0.213 14 R C 1.437 177.755 176.300 0.029 0.000 1.059 14 R CA 1.452 57.598 56.100 0.077 0.000 0.997 14 R CB 0.188 30.524 30.300 0.059 0.000 0.884 14 R HN 0.290 nan 8.270 nan 0.000 0.462 15 T N 0.514 115.067 114.554 -0.001 0.000 2.953 15 T HA 0.100 4.438 4.350 -0.020 0.000 0.247 15 T C 1.720 176.367 174.700 -0.088 0.000 1.029 15 T CA 0.372 62.459 62.100 -0.023 0.000 1.144 15 T CB 0.214 69.076 68.868 -0.010 0.000 0.870 15 T HN -0.006 nan 8.240 nan 0.000 0.446 16 I N 1.803 122.271 120.570 -0.170 0.000 2.406 16 I HA -0.055 4.103 4.170 -0.020 0.000 0.249 16 I C 2.582 178.445 176.117 -0.424 0.000 1.122 16 I CA 1.238 62.309 61.300 -0.382 0.000 1.431 16 I CB -1.710 35.858 38.000 -0.720 0.000 1.087 16 I HN 0.222 nan 8.210 nan 0.000 0.424 17 T N 2.317 116.727 114.554 -0.240 0.000 2.684 17 T HA -0.098 4.240 4.350 -0.020 0.000 0.267 17 T C -0.296 174.327 174.700 -0.127 0.000 1.036 17 T CA 1.867 63.877 62.100 -0.151 0.000 1.148 17 T CB -1.138 67.773 68.868 0.072 0.000 0.863 17 T HN 0.218 nan 8.240 nan 0.000 0.436 18 P HA 0.013 nan 4.420 nan 0.000 0.218 18 P C 1.586 178.828 177.300 -0.098 0.000 1.149 18 P CA 0.484 63.546 63.100 -0.063 0.000 0.817 18 P CB -0.131 31.550 31.700 -0.031 0.000 0.785 19 L N -0.596 120.543 121.223 -0.140 0.000 2.017 19 L HA -0.138 4.190 4.340 -0.020 0.000 0.208 19 L C 2.176 178.907 176.870 -0.232 0.000 1.073 19 L CA 1.805 56.545 54.840 -0.168 0.000 0.745 19 L CB -1.150 40.795 42.059 -0.190 0.000 0.894 19 L HN -0.144 nan 8.230 nan 0.000 0.432 20 I N -0.578 119.822 120.570 -0.283 0.000 2.208 20 I HA -0.306 3.852 4.170 -0.020 0.000 0.245 20 I C 2.418 178.441 176.117 -0.157 0.000 1.097 20 I CA 1.520 62.662 61.300 -0.264 0.000 1.363 20 I CB -0.264 37.556 38.000 -0.300 0.000 1.051 20 I HN 0.387 nan 8.210 nan 0.000 0.413 21 E N 0.407 120.538 120.200 -0.116 0.000 2.047 21 E HA -0.271 4.068 4.350 -0.020 0.000 0.191 21 E C 2.232 178.796 176.600 -0.059 0.000 0.987 21 E CA 1.405 57.766 56.400 -0.065 0.000 0.799 21 E CB -0.055 29.620 29.700 -0.041 0.000 0.752 21 E HN 0.607 nan 8.360 nan 0.000 0.449 22 Q N 0.106 119.867 119.800 -0.065 0.000 2.119 22 Q HA -0.145 4.183 4.340 -0.020 0.000 0.201 22 Q C 1.608 177.581 176.000 -0.045 0.000 0.972 22 Q CA 0.940 56.717 55.803 -0.044 0.000 0.847 22 Q CB -0.021 28.697 28.738 -0.034 0.000 0.903 22 Q HN 0.142 nan 8.270 nan 0.000 0.433 23 Q N 0.805 120.553 119.800 -0.086 0.000 2.319 23 Q HA 0.129 4.457 4.340 -0.020 0.000 0.202 23 Q C -0.366 175.591 176.000 -0.071 0.000 0.896 23 Q CA 0.131 55.888 55.803 -0.077 0.000 0.942 23 Q CB 0.565 29.195 28.738 -0.181 0.000 1.083 23 Q HN 0.435 nan 8.270 nan 0.000 0.510 24 K N 0.963 121.320 120.400 -0.073 0.000 3.278 24 K HA -0.183 4.126 4.320 -0.020 0.000 0.270 24 K C -0.481 176.084 176.600 -0.059 0.000 0.955 24 K CA 0.303 56.558 56.287 -0.054 0.000 0.723 24 K CB -1.964 30.517 32.500 -0.030 0.000 1.382 24 K HN 0.276 nan 8.250 nan 0.000 0.461 25 I N 0.860 121.371 120.570 -0.099 0.000 2.416 25 I HA 0.029 4.187 4.170 -0.020 0.000 0.288 25 I C -0.942 175.169 176.117 -0.011 0.000 1.051 25 I CA -2.163 59.091 61.300 -0.077 0.000 1.375 25 I CB 0.907 38.793 38.000 -0.190 0.000 1.407 25 I HN 0.021 nan 8.210 nan 0.000 0.516 26 P HA 0.006 nan 4.420 nan 0.000 0.216 26 P C 0.316 177.716 177.300 0.166 0.000 1.153 26 P CA 0.491 63.608 63.100 0.029 0.000 0.844 26 P CB 0.308 31.925 31.700 -0.139 0.000 0.787 27 G N -1.288 107.645 108.800 0.222 0.000 2.733 27 G HA2 0.668 4.616 3.960 -0.020 0.000 0.297 27 G HA3 0.668 4.616 3.960 -0.020 0.000 0.297 27 G C -1.928 173.218 174.900 0.410 0.000 1.422 27 G CA -0.350 44.943 45.100 0.322 0.000 0.942 27 G HN 0.035 nan 8.290 nan 0.000 0.510 28 M N 1.222 121.093 119.600 0.453 0.000 2.465 28 M HA 0.749 5.217 4.480 -0.020 0.000 0.284 28 M C -1.356 175.261 176.300 0.528 0.000 1.212 28 M CA -0.544 54.992 55.300 0.394 0.000 0.910 28 M CB 2.347 35.047 32.600 0.166 0.000 1.725 28 M HN 1.042 nan 8.290 nan 0.000 0.477 29 A N 3.084 126.080 122.820 0.294 0.000 2.414 29 A HA 0.884 5.192 4.320 -0.020 0.000 0.306 29 A C -1.769 176.010 177.584 0.325 0.000 1.054 29 A CA -0.626 51.622 52.037 0.351 0.000 0.724 29 A CB 1.801 20.950 19.000 0.248 0.000 1.267 29 A HN 0.629 nan 8.150 nan 0.000 0.418 30 V N 0.689 120.895 119.914 0.486 0.000 2.789 30 V HA 0.818 4.926 4.120 -0.020 0.000 0.311 30 V C 0.066 176.448 176.094 0.480 0.000 1.073 30 V CA -0.219 62.342 62.300 0.435 0.000 0.921 30 V CB 1.913 34.016 31.823 0.467 0.000 1.009 30 V HN 1.462 nan 8.190 nan 0.000 0.426 31 A N 3.636 126.677 122.820 0.369 0.000 2.356 31 A HA 0.894 5.202 4.320 -0.020 0.000 0.310 31 A C -1.172 176.550 177.584 0.229 0.000 1.075 31 A CA -0.555 51.666 52.037 0.306 0.000 0.746 31 A CB 1.800 20.966 19.000 0.277 0.000 1.221 31 A HN 0.660 nan 8.150 nan 0.000 0.443 32 V N 3.175 123.230 119.914 0.234 0.000 2.495 32 V HA 0.403 4.511 4.120 -0.020 0.000 0.298 32 V C -0.861 175.334 176.094 0.169 0.000 1.031 32 V CA -0.319 62.105 62.300 0.205 0.000 0.871 32 V CB 1.474 33.451 31.823 0.256 0.000 0.988 32 V HN 0.724 nan 8.190 nan 0.000 0.432 33 I N 5.521 126.155 120.570 0.106 0.000 2.312 33 I HA 0.386 4.544 4.170 -0.020 0.000 0.290 33 I C -0.706 175.500 176.117 0.150 0.000 1.008 33 I CA -0.245 61.087 61.300 0.054 0.000 1.226 33 I CB 0.874 38.846 38.000 -0.047 0.000 1.371 33 I HN 0.606 nan 8.210 nan 0.000 0.468 34 Y N 5.421 125.774 120.300 0.089 0.000 2.338 34 Y HA 0.337 4.875 4.550 -0.020 0.000 0.333 34 Y C 0.178 176.121 175.900 0.071 0.000 0.968 34 Y CA -0.664 57.494 58.100 0.096 0.000 1.123 34 Y CB 1.143 39.706 38.460 0.171 0.000 1.165 34 Y HN 0.676 nan 8.280 nan 0.000 0.452 35 Q N 4.431 123.963 119.800 -0.446 0.000 2.453 35 Q HA -0.267 4.061 4.340 -0.020 0.000 0.294 35 Q C 1.055 176.963 176.000 -0.153 0.000 1.295 35 Q CA 1.144 56.741 55.803 -0.344 0.000 0.853 35 Q CB -1.770 26.739 28.738 -0.381 0.000 1.193 35 Q HN 1.393 nan 8.270 nan 0.000 0.461 36 G N 0.060 108.783 108.800 -0.129 0.000 2.168 36 G HA2 -0.377 3.572 3.960 -0.020 0.000 0.263 36 G HA3 -0.377 3.572 3.960 -0.020 0.000 0.263 36 G C -0.004 174.834 174.900 -0.102 0.000 0.977 36 G CA 0.846 45.878 45.100 -0.112 0.000 0.659 36 G HN 0.402 nan 8.290 nan 0.000 0.533 37 K N 1.073 121.423 120.400 -0.083 0.000 2.221 37 K HA 0.627 4.936 4.320 -0.020 0.000 0.258 37 K C -2.662 173.709 176.600 -0.380 0.000 0.944 37 K CA -2.299 53.866 56.287 -0.203 0.000 0.823 37 K CB 2.791 35.195 32.500 -0.160 0.000 1.113 37 K HN 0.054 nan 8.250 nan 0.000 0.431 38 P HA 0.234 nan 4.420 nan 0.000 0.290 38 P C -1.590 175.018 177.300 -1.154 0.000 1.275 38 P CA -0.429 62.280 63.100 -0.652 0.000 0.841 38 P CB 0.780 32.178 31.700 -0.505 0.000 1.042 39 Y N 0.941 120.930 120.300 -0.519 0.000 2.406 39 Y HA 0.438 4.976 4.550 -0.020 0.000 0.340 39 Y C -0.072 175.460 175.900 -0.614 0.000 0.975 39 Y CA -0.453 57.347 58.100 -0.500 0.000 1.056 39 Y CB 1.797 40.176 38.460 -0.136 0.000 1.210 39 Y HN 0.288 nan 8.280 nan 0.000 0.448 40 Y N 2.550 122.699 120.300 -0.251 0.000 2.446 40 Y HA 0.722 5.260 4.550 -0.019 0.000 0.338 40 Y C -0.988 174.507 175.900 -0.674 0.000 1.055 40 Y CA -1.212 56.743 58.100 -0.241 0.000 1.101 40 Y CB 1.583 39.965 38.460 -0.131 0.000 1.221 40 Y HN 0.383 nan 8.280 nan 0.000 0.460 41 F N 0.227 120.240 119.950 0.106 0.000 2.581 41 F HA 0.601 5.115 4.527 -0.020 0.000 0.311 41 F C -0.315 175.302 175.800 -0.305 0.000 1.113 41 F CA -0.934 56.923 58.000 -0.238 0.000 0.935 41 F CB 2.434 41.212 39.000 -0.369 0.000 1.232 41 F HN 0.395 nan 8.300 nan 0.000 0.445 42 T N -1.125 113.194 114.554 -0.391 0.000 2.903 42 T HA 0.689 5.028 4.350 -0.020 0.000 0.299 42 T C -1.625 172.903 174.700 -0.287 0.000 1.093 42 T CA -0.686 61.346 62.100 -0.113 0.000 1.002 42 T CB 1.833 70.732 68.868 0.052 0.000 1.127 42 T HN 0.609 nan 8.240 nan 0.000 0.488 43 W N 0.504 121.889 121.300 0.142 0.000 3.127 43 W HA 0.505 5.153 4.660 -0.021 0.000 0.330 43 W C 0.801 177.346 176.519 0.044 0.000 1.187 43 W CA -0.243 57.158 57.345 0.093 0.000 1.198 43 W CB 1.723 31.245 29.460 0.103 0.000 1.408 43 W HN 1.397 nan 8.180 nan 0.000 0.529 44 G N 1.326 110.237 108.800 0.184 0.000 2.552 44 G HA2 -0.311 3.638 3.960 -0.020 0.000 0.265 44 G HA3 -0.311 3.638 3.960 -0.020 0.000 0.265 44 G C -1.644 173.073 174.900 -0.304 0.000 1.234 44 G CA -0.123 44.980 45.100 0.006 0.000 0.944 44 G HN 0.493 nan 8.290 nan 0.000 0.568 45 Y N 0.252 120.642 120.300 0.150 0.000 2.377 45 Y HA 0.614 5.153 4.550 -0.017 0.000 0.339 45 Y C 1.323 177.325 175.900 0.170 0.000 1.011 45 Y CA 0.142 58.321 58.100 0.130 0.000 1.093 45 Y CB 1.990 40.488 38.460 0.064 0.000 1.201 45 Y HN 0.824 nan 8.280 nan 0.000 0.455 46 A N 0.997 123.973 122.820 0.260 0.000 1.984 46 A HA 0.023 4.332 4.320 -0.020 0.000 0.214 46 A C 0.112 177.918 177.584 0.369 0.000 1.173 46 A CA 1.187 53.358 52.037 0.224 0.000 0.673 46 A CB 0.122 19.188 19.000 0.110 0.000 0.830 46 A HN 0.637 nan 8.150 nan 0.000 0.453 47 D N -1.047 119.598 120.400 0.409 0.000 2.479 47 D HA 0.366 4.994 4.640 -0.020 0.000 0.246 47 D C 0.555 177.035 176.300 0.301 0.000 1.336 47 D CA -0.453 53.812 54.000 0.442 0.000 0.967 47 D CB 0.636 41.685 40.800 0.415 0.000 1.275 47 D HN 0.117 nan 8.370 nan 0.000 0.577 48 I N 2.157 122.846 120.570 0.198 0.000 2.179 48 I HA -0.213 3.946 4.170 -0.020 0.000 0.242 48 I C 2.423 178.469 176.117 -0.118 0.000 1.088 48 I CA 1.275 62.512 61.300 -0.105 0.000 1.357 48 I CB -0.077 37.759 38.000 -0.274 0.000 1.051 48 I HN 0.451 nan 8.210 nan 0.000 0.409 49 A N 0.672 123.465 122.820 -0.045 0.000 1.902 49 A HA -0.190 4.118 4.320 -0.020 0.000 0.217 49 A C 2.171 179.734 177.584 -0.035 0.000 1.181 49 A CA 1.542 53.538 52.037 -0.069 0.000 0.623 49 A CB -0.366 18.579 19.000 -0.092 0.000 0.818 49 A HN 0.351 nan 8.150 nan 0.000 0.443 50 K N -0.804 119.609 120.400 0.023 0.000 2.404 50 K HA 0.111 4.419 4.320 -0.020 0.000 0.194 50 K C -0.377 176.280 176.600 0.094 0.000 1.023 50 K CA 0.162 56.484 56.287 0.058 0.000 1.094 50 K CB 0.138 32.696 32.500 0.097 0.000 0.841 50 K HN 0.436 nan 8.250 nan 0.000 0.523 51 K N 1.396 121.848 120.400 0.088 0.000 3.071 51 K HA -0.168 4.140 4.320 -0.020 0.000 0.265 51 K C -0.726 176.103 176.600 0.381 0.000 1.060 51 K CA 0.560 56.962 56.287 0.191 0.000 0.767 51 K CB -0.988 31.578 32.500 0.111 0.000 1.241 51 K HN 0.186 nan 8.250 nan 0.000 0.486 52 Q N 0.543 120.551 119.800 0.347 0.000 2.279 52 Q HA 0.237 4.565 4.340 -0.020 0.000 0.256 52 Q C -2.119 174.000 176.000 0.199 0.000 0.937 52 Q CA -1.865 54.081 55.803 0.238 0.000 0.933 52 Q CB 1.022 29.878 28.738 0.196 0.000 1.189 52 Q HN 0.131 nan 8.270 nan 0.000 0.417 53 P HA 0.134 nan 4.420 nan 0.000 0.276 53 P C -0.240 177.048 177.300 -0.020 0.000 1.244 53 P CA -0.440 62.571 63.100 -0.150 0.000 0.801 53 P CB 0.983 32.596 31.700 -0.145 0.000 1.006 54 V N 2.195 122.111 119.914 0.002 0.000 2.572 54 V HA 0.261 4.369 4.120 -0.020 0.000 0.291 54 V C 1.228 177.375 176.094 0.089 0.000 1.039 54 V CA 0.641 63.014 62.300 0.121 0.000 1.055 54 V CB 0.400 32.395 31.823 0.287 0.000 0.969 54 V HN 0.879 nan 8.190 nan 0.000 0.482 55 T N 1.359 115.969 114.554 0.094 0.000 2.831 55 T HA 0.355 4.694 4.350 -0.020 0.000 0.287 55 T C 0.465 175.199 174.700 0.057 0.000 1.070 55 T CA -0.716 61.410 62.100 0.044 0.000 1.010 55 T CB 1.671 70.541 68.868 0.004 0.000 1.264 55 T HN 0.435 nan 8.240 nan 0.000 0.532 56 Q N -0.415 119.366 119.800 -0.032 0.000 2.437 56 Q HA -0.034 4.294 4.340 -0.020 0.000 0.210 56 Q C 1.317 177.257 176.000 -0.100 0.000 0.972 56 Q CA 1.095 56.829 55.803 -0.114 0.000 0.903 56 Q CB -0.106 28.459 28.738 -0.289 0.000 0.967 56 Q HN 0.562 nan 8.270 nan 0.000 0.486 57 Q N -0.821 118.942 119.800 -0.061 0.000 2.282 57 Q HA 0.097 4.425 4.340 -0.020 0.000 0.206 57 Q C -0.191 175.816 176.000 0.013 0.000 0.878 57 Q CA 0.218 55.977 55.803 -0.073 0.000 0.944 57 Q CB 0.994 29.669 28.738 -0.104 0.000 1.100 57 Q HN 0.047 nan 8.270 nan 0.000 0.509 58 T N 1.190 115.785 114.554 0.068 0.000 2.888 58 T HA 0.217 4.555 4.350 -0.020 0.000 0.301 58 T C -0.050 174.702 174.700 0.087 0.000 1.001 58 T CA 0.027 62.154 62.100 0.044 0.000 1.147 58 T CB 0.304 69.170 68.868 -0.004 0.000 0.931 58 T HN 0.148 nan 8.240 nan 0.000 0.541 59 L N 3.993 125.229 121.223 0.022 0.000 2.292 59 L HA 0.521 4.849 4.340 -0.020 0.000 0.284 59 L C -0.581 176.293 176.870 0.006 0.000 1.065 59 L CA -0.540 54.339 54.840 0.066 0.000 0.806 59 L CB 0.509 42.554 42.059 -0.023 0.000 1.175 59 L HN 0.548 nan 8.230 nan 0.000 0.431 60 F N 0.672 120.677 119.950 0.092 0.000 2.546 60 F HA 0.355 4.872 4.527 -0.018 0.000 0.320 60 F C 0.405 176.024 175.800 -0.302 0.000 1.076 60 F CA -0.841 57.184 58.000 0.040 0.000 0.928 60 F CB 1.580 40.728 39.000 0.247 0.000 1.189 60 F HN 0.397 nan 8.300 nan 0.000 0.465 61 E N 2.933 122.678 120.200 -0.758 0.000 2.344 61 E HA 0.153 4.491 4.350 -0.020 0.000 0.270 61 E C 0.408 176.943 176.600 -0.107 0.000 1.021 61 E CA -0.038 56.063 56.400 -0.498 0.000 0.887 61 E CB 0.913 30.183 29.700 -0.717 0.000 0.997 61 E HN 0.631 nan 8.360 nan 0.000 0.429 62 L N 2.689 123.919 121.223 0.012 0.000 2.509 62 L HA 0.108 4.436 4.340 -0.020 0.000 0.222 62 L C 1.389 178.359 176.870 0.167 0.000 1.123 62 L CA 0.375 55.288 54.840 0.122 0.000 0.856 62 L CB -0.720 41.412 42.059 0.122 0.000 0.985 62 L HN 0.910 nan 8.230 nan 0.000 0.456 63 G N 0.959 109.859 108.800 0.167 0.000 2.596 63 G HA2 -0.385 3.564 3.960 -0.020 0.000 0.295 63 G HA3 -0.385 3.564 3.960 -0.020 0.000 0.295 63 G C 0.930 175.977 174.900 0.244 0.000 1.240 63 G CA 0.086 45.320 45.100 0.223 0.000 0.985 63 G HN 0.355 nan 8.290 nan 0.000 0.555 64 G N -0.854 108.094 108.800 0.247 0.000 2.527 64 G HA2 0.117 4.065 3.960 -0.020 0.000 0.219 64 G HA3 0.117 4.065 3.960 -0.020 0.000 0.219 64 G C 1.707 176.738 174.900 0.218 0.000 1.117 64 G CA 1.821 47.086 45.100 0.274 0.000 0.759 64 G HN 1.232 nan 8.290 nan 0.000 0.556 65 V N 1.026 121.054 119.914 0.190 0.000 2.720 65 V HA -0.171 3.938 4.120 -0.020 0.000 0.256 65 V C 2.898 179.107 176.094 0.192 0.000 1.082 65 V CA 1.882 64.271 62.300 0.149 0.000 1.101 65 V CB -0.289 31.645 31.823 0.186 0.000 0.693 65 V HN 0.373 nan 8.190 nan 0.000 0.479 66 S N -0.088 115.752 115.700 0.235 0.000 2.400 66 S HA -0.239 4.220 4.470 -0.020 0.000 0.232 66 S C 1.904 176.664 174.600 0.267 0.000 1.025 66 S CA 1.358 59.727 58.200 0.280 0.000 0.993 66 S CB -0.274 63.023 63.200 0.161 0.000 0.808 66 S HN 0.652 nan 8.310 nan 0.000 0.478 67 K N 0.971 121.481 120.400 0.184 0.000 2.280 67 K HA -0.090 4.218 4.320 -0.020 0.000 0.202 67 K C 2.438 179.073 176.600 0.057 0.000 1.047 67 K CA 1.551 57.928 56.287 0.150 0.000 0.942 67 K CB -0.480 32.129 32.500 0.183 0.000 0.739 67 K HN 0.617 nan 8.250 nan 0.000 0.457 68 T N -1.114 113.373 114.554 -0.111 0.000 2.867 68 T HA -0.108 4.230 4.350 -0.020 0.000 0.268 68 T C 1.742 176.445 174.700 0.006 0.000 1.057 68 T CA 0.856 62.725 62.100 -0.385 0.000 1.136 68 T CB -0.381 67.861 68.868 -1.044 0.000 0.874 68 T HN 0.049 nan 8.240 nan 0.000 0.466 69 F N 2.024 122.010 119.950 0.060 0.000 2.206 69 F HA 0.060 4.575 4.527 -0.019 0.000 0.298 69 F C 3.009 178.864 175.800 0.092 0.000 1.090 69 F CA 1.231 59.226 58.000 -0.008 0.000 1.323 69 F CB -1.020 37.856 39.000 -0.206 0.000 1.028 69 F HN 0.128 nan 8.300 nan 0.000 0.492 70 T N -0.543 114.209 114.554 0.329 0.000 2.746 70 T HA -0.129 4.209 4.350 -0.020 0.000 0.267 70 T C 2.364 177.259 174.700 0.324 0.000 1.039 70 T CA 1.408 63.716 62.100 0.346 0.000 1.142 70 T CB -0.969 68.097 68.868 0.329 0.000 0.866 70 T HN 0.445 nan 8.240 nan 0.000 0.444 71 G N 0.878 109.831 108.800 0.256 0.000 2.418 71 G HA2 -0.154 3.794 3.960 -0.020 0.000 0.217 71 G HA3 -0.154 3.794 3.960 -0.020 0.000 0.217 71 G C 1.689 176.748 174.900 0.265 0.000 1.158 71 G CA 0.751 45.995 45.100 0.240 0.000 0.771 71 G HN 0.434 nan 8.290 nan 0.000 0.545 72 V N 0.571 120.653 119.914 0.281 0.000 2.427 72 V HA -0.088 4.021 4.120 -0.020 0.000 0.248 72 V C 2.657 178.875 176.094 0.206 0.000 1.051 72 V CA 1.465 63.939 62.300 0.289 0.000 1.048 72 V CB -0.308 31.788 31.823 0.456 0.000 0.666 72 V HN 0.341 nan 8.190 nan 0.000 0.456 73 L N 1.325 122.644 121.223 0.161 0.000 2.083 73 L HA -0.026 4.303 4.340 -0.020 0.000 0.209 73 L C 2.316 179.204 176.870 0.030 0.000 1.083 73 L CA 2.393 57.249 54.840 0.025 0.000 0.752 73 L CB -1.223 40.771 42.059 -0.107 0.000 0.899 73 L HN 0.269 nan 8.230 nan 0.000 0.433 74 G N -1.151 107.726 108.800 0.128 0.000 2.418 74 G HA2 -0.204 3.745 3.960 -0.020 0.000 0.217 74 G HA3 -0.204 3.745 3.960 -0.020 0.000 0.217 74 G C 1.535 176.540 174.900 0.174 0.000 1.158 74 G CA 0.540 45.725 45.100 0.141 0.000 0.771 74 G HN 0.580 nan 8.290 nan 0.000 0.545 75 G N 0.618 109.537 108.800 0.198 0.000 2.442 75 G HA2 -0.247 3.701 3.960 -0.020 0.000 0.219 75 G HA3 -0.247 3.701 3.960 -0.020 0.000 0.219 75 G C 1.444 176.402 174.900 0.097 0.000 1.141 75 G CA 1.394 46.587 45.100 0.154 0.000 0.763 75 G HN 0.531 nan 8.290 nan 0.000 0.554 76 D N 0.346 120.790 120.400 0.074 0.000 2.178 76 D HA 0.094 4.722 4.640 -0.020 0.000 0.202 76 D C 2.606 178.911 176.300 0.008 0.000 0.974 76 D CA 1.274 55.295 54.000 0.036 0.000 0.841 76 D CB -0.217 40.595 40.800 0.020 0.000 0.953 76 D HN 0.244 nan 8.370 nan 0.000 0.478 77 A N -0.035 122.778 122.820 -0.011 0.000 1.968 77 A HA -0.033 4.275 4.320 -0.020 0.000 0.217 77 A C 2.257 179.835 177.584 -0.010 0.000 1.169 77 A CA 0.805 52.817 52.037 -0.041 0.000 0.638 77 A CB -0.624 18.312 19.000 -0.106 0.000 0.812 77 A HN 0.367 nan 8.150 nan 0.000 0.446 78 I N -0.229 120.356 120.570 0.026 0.000 2.202 78 I HA -0.237 3.921 4.170 -0.020 0.000 0.242 78 I C 2.943 179.085 176.117 0.041 0.000 1.091 78 I CA 1.025 62.353 61.300 0.047 0.000 1.368 78 I CB -0.331 37.719 38.000 0.084 0.000 1.058 78 I HN 0.326 nan 8.210 nan 0.000 0.410 79 A N 0.843 123.687 122.820 0.040 0.000 1.972 79 A HA -0.192 4.116 4.320 -0.020 0.000 0.219 79 A C 2.320 179.915 177.584 0.019 0.000 1.169 79 A CA 1.466 53.521 52.037 0.031 0.000 0.635 79 A CB -0.577 18.441 19.000 0.031 0.000 0.810 79 A HN 0.346 nan 8.150 nan 0.000 0.446 80 R N -1.557 118.950 120.500 0.011 0.000 2.280 80 R HA 0.132 4.460 4.340 -0.020 0.000 0.207 80 R C 1.380 177.686 176.300 0.009 0.000 1.043 80 R CA 0.568 56.670 56.100 0.003 0.000 1.006 80 R CB -0.191 30.102 30.300 -0.011 0.000 0.885 80 R HN 0.722 nan 8.270 nan 0.000 0.467 81 G N 0.854 109.666 108.800 0.019 0.000 2.159 81 G HA2 -0.312 3.636 3.960 -0.020 0.000 0.256 81 G HA3 -0.312 3.636 3.960 -0.020 0.000 0.256 81 G C 0.563 175.484 174.900 0.034 0.000 0.977 81 G CA 0.500 45.617 45.100 0.028 0.000 0.652 81 G HN 0.441 nan 8.290 nan 0.000 0.531 82 E N -0.458 119.754 120.200 0.020 0.000 2.112 82 E HA 0.209 4.548 4.350 -0.020 0.000 0.190 82 E C 1.549 178.182 176.600 0.055 0.000 0.979 82 E CA 1.229 57.642 56.400 0.022 0.000 0.814 82 E CB 0.120 29.808 29.700 -0.021 0.000 0.762 82 E HN 0.910 nan 8.360 nan 0.000 0.460 83 I N -2.948 117.636 120.570 0.023 0.000 3.191 83 I HA 0.492 4.651 4.170 -0.020 0.000 0.313 83 I C -1.314 174.853 176.117 0.084 0.000 1.193 83 I CA -1.255 60.066 61.300 0.036 0.000 0.968 83 I CB 2.292 40.143 38.000 -0.247 0.000 1.262 83 I HN -0.362 nan 8.210 nan 0.000 0.456 84 K N 2.176 122.663 120.400 0.146 0.000 2.422 84 K HA 0.502 4.811 4.320 -0.020 0.000 0.251 84 K C 0.033 176.715 176.600 0.138 0.000 0.933 84 K CA -0.771 55.593 56.287 0.128 0.000 0.798 84 K CB 2.913 35.492 32.500 0.132 0.000 1.238 84 K HN 0.614 nan 8.250 nan 0.000 0.428 85 L N 1.002 122.289 121.223 0.107 0.000 2.275 85 L HA -0.146 4.183 4.340 -0.020 0.000 0.215 85 L C 1.903 178.812 176.870 0.066 0.000 1.119 85 L CA 1.246 56.133 54.840 0.079 0.000 0.790 85 L CB -0.235 41.827 42.059 0.006 0.000 0.919 85 L HN 0.688 nan 8.230 nan 0.000 0.443 86 S N -2.803 112.945 115.700 0.080 0.000 2.562 86 S HA 0.015 4.473 4.470 -0.020 0.000 0.221 86 S C 0.517 175.186 174.600 0.114 0.000 0.975 86 S CA -0.338 57.905 58.200 0.073 0.000 0.918 86 S CB -0.317 62.922 63.200 0.065 0.000 0.772 86 S HN 0.195 nan 8.310 nan 0.000 0.531 87 D N 4.229 124.730 120.400 0.169 0.000 2.382 87 D HA 0.318 4.946 4.640 -0.020 0.000 0.245 87 D C -2.419 174.023 176.300 0.236 0.000 1.120 87 D CA -1.597 52.532 54.000 0.215 0.000 0.890 87 D CB 0.769 41.786 40.800 0.361 0.000 1.201 87 D HN 0.180 nan 8.370 nan 0.000 0.433 88 P HA 0.023 nan 4.420 nan 0.000 0.269 88 P C 0.644 178.099 177.300 0.258 0.000 1.209 88 P CA -0.174 63.051 63.100 0.209 0.000 0.776 88 P CB 0.617 32.406 31.700 0.148 0.000 0.876 89 T N 0.730 115.473 114.554 0.314 0.000 2.759 89 T HA -0.141 4.197 4.350 -0.020 0.000 0.269 89 T C 1.671 176.511 174.700 0.234 0.000 1.042 89 T CA 2.446 64.738 62.100 0.319 0.000 1.140 89 T CB -0.993 68.084 68.868 0.349 0.000 0.864 89 T HN 0.642 nan 8.240 nan 0.000 0.455 90 T N 0.378 115.030 114.554 0.164 0.000 3.007 90 T HA -0.016 4.322 4.350 -0.020 0.000 0.270 90 T C 1.737 176.446 174.700 0.016 0.000 1.107 90 T CA 0.986 63.133 62.100 0.079 0.000 1.118 90 T CB -0.242 68.665 68.868 0.066 0.000 0.889 90 T HN 0.391 nan 8.240 nan 0.000 0.506 91 K N 0.036 120.392 120.400 -0.073 0.000 2.211 91 K HA -0.075 4.234 4.320 -0.020 0.000 0.203 91 K C 1.055 177.361 176.600 -0.490 0.000 1.050 91 K CA 1.086 57.173 56.287 -0.333 0.000 0.945 91 K CB -0.129 32.040 32.500 -0.552 0.000 0.732 91 K HN 0.536 nan 8.250 nan 0.000 0.451 92 Y N -2.499 117.840 120.300 0.065 0.000 2.458 92 Y HA 0.129 4.668 4.550 -0.019 0.000 0.254 92 Y C 0.103 176.052 175.900 0.082 0.000 1.120 92 Y CA -0.461 57.657 58.100 0.030 0.000 1.282 92 Y CB 0.618 39.063 38.460 -0.025 0.000 1.109 92 Y HN 0.108 nan 8.280 nan 0.000 0.526 93 W N 2.145 123.440 121.300 -0.009 0.000 2.162 93 W HA 0.410 5.058 4.660 -0.020 0.000 0.292 93 W C -2.567 173.899 176.519 -0.090 0.000 0.998 93 W CA -3.588 53.716 57.345 -0.068 0.000 1.570 93 W CB 0.956 30.331 29.460 -0.141 0.000 1.644 93 W HN -0.111 nan 8.180 nan 0.000 0.360 94 P HA -0.194 nan 4.420 nan 0.000 0.219 94 P C 1.046 178.304 177.300 -0.070 0.000 1.146 94 P CA 1.823 64.936 63.100 0.021 0.000 0.808 94 P CB 0.503 32.221 31.700 0.031 0.000 0.779 95 E N -1.106 119.020 120.200 -0.123 0.000 2.472 95 E HA -0.055 4.283 4.350 -0.020 0.000 0.200 95 E C 0.588 176.929 176.600 -0.432 0.000 1.046 95 E CA 0.272 56.528 56.400 -0.240 0.000 0.871 95 E CB -0.651 28.934 29.700 -0.191 0.000 0.806 95 E HN 0.133 nan 8.360 nan 0.000 0.533 96 L N 1.498 122.378 121.223 -0.572 0.000 2.466 96 L HA 0.139 4.468 4.340 -0.020 0.000 0.248 96 L C 0.889 177.583 176.870 -0.293 0.000 1.240 96 L CA 0.295 54.742 54.840 -0.656 0.000 1.180 96 L CB -0.275 41.220 42.059 -0.940 0.000 1.413 96 L HN 0.014 nan 8.230 nan 0.000 0.406 97 T N -0.572 113.878 114.554 -0.174 0.000 3.081 97 T HA 0.317 4.655 4.350 -0.020 0.000 0.255 97 T C 0.932 175.656 174.700 0.041 0.000 1.113 97 T CA 0.253 62.326 62.100 -0.045 0.000 1.082 97 T CB -0.101 68.740 68.868 -0.046 0.000 0.939 97 T HN 0.552 nan 8.240 nan 0.000 0.506 98 A N 1.752 124.627 122.820 0.093 0.000 2.498 98 A HA 0.295 4.604 4.320 -0.020 0.000 0.239 98 A C 1.365 179.072 177.584 0.204 0.000 1.068 98 A CA -0.332 51.800 52.037 0.159 0.000 0.766 98 A CB 0.235 19.366 19.000 0.219 0.000 1.003 98 A HN 0.459 nan 8.150 nan 0.000 0.497 99 K N 0.873 121.331 120.400 0.096 0.000 2.211 99 K HA -0.185 4.123 4.320 -0.020 0.000 0.204 99 K C 1.998 178.616 176.600 0.030 0.000 1.047 99 K CA 1.534 57.858 56.287 0.061 0.000 0.935 99 K CB 0.008 32.516 32.500 0.014 0.000 0.728 99 K HN 0.913 nan 8.250 nan 0.000 0.452 100 Q N -0.027 119.749 119.800 -0.039 0.000 2.364 100 Q HA -0.177 4.151 4.340 -0.020 0.000 0.207 100 Q C 1.064 176.921 176.000 -0.238 0.000 0.970 100 Q CA 1.240 56.916 55.803 -0.213 0.000 0.888 100 Q CB -0.405 28.079 28.738 -0.423 0.000 0.951 100 Q HN 0.468 nan 8.270 nan 0.000 0.469 101 W N 1.925 123.267 121.300 0.070 0.000 3.047 101 W HA 0.133 4.781 4.660 -0.020 0.000 0.250 101 W C 0.135 176.715 176.519 0.102 0.000 1.314 101 W CA -0.463 56.955 57.345 0.122 0.000 1.540 101 W CB 0.074 29.597 29.460 0.106 0.000 1.127 101 W HN -0.008 nan 8.180 nan 0.000 0.679 102 N N 0.686 119.500 118.700 0.191 0.000 2.468 102 N HA 0.221 4.949 4.740 -0.020 0.000 0.265 102 N C 1.152 176.739 175.510 0.128 0.000 1.199 102 N CA 1.544 54.684 53.050 0.149 0.000 0.928 102 N CB 0.790 39.333 38.487 0.094 0.000 1.059 102 N HN 0.226 nan 8.380 nan 0.000 0.467 103 G N 1.622 110.521 108.800 0.165 0.000 2.217 103 G HA2 -0.260 3.688 3.960 -0.020 0.000 0.246 103 G HA3 -0.260 3.688 3.960 -0.020 0.000 0.246 103 G C 0.121 175.176 174.900 0.259 0.000 0.990 103 G CA -0.372 44.834 45.100 0.177 0.000 0.627 103 G HN 0.548 nan 8.290 nan 0.000 0.522 104 I N 3.130 123.870 120.570 0.284 0.000 2.301 104 I HA 0.394 4.552 4.170 -0.020 0.000 0.292 104 I C 1.191 177.604 176.117 0.494 0.000 1.046 104 I CA 0.202 61.746 61.300 0.407 0.000 1.282 104 I CB 1.064 39.248 38.000 0.307 0.000 1.409 104 I HN 0.312 nan 8.210 nan 0.000 0.484 105 T N 3.039 117.938 114.554 0.575 0.000 2.936 105 T HA 0.443 4.781 4.350 -0.020 0.000 0.282 105 T C 1.237 176.078 174.700 0.236 0.000 1.003 105 T CA -0.873 61.396 62.100 0.281 0.000 1.005 105 T CB 1.473 70.381 68.868 0.066 0.000 1.097 105 T HN 0.415 nan 8.240 nan 0.000 0.532 106 L N 0.417 121.768 121.223 0.214 0.000 2.127 106 L HA -0.036 4.293 4.340 -0.020 0.000 0.211 106 L C 2.547 179.449 176.870 0.054 0.000 1.089 106 L CA 0.924 55.906 54.840 0.236 0.000 0.757 106 L CB -0.798 41.432 42.059 0.286 0.000 0.899 106 L HN 0.617 nan 8.230 nan 0.000 0.434 107 L N -0.578 120.606 121.223 -0.064 0.000 2.012 107 L HA -0.261 4.067 4.340 -0.020 0.000 0.210 107 L C 2.718 179.531 176.870 -0.096 0.000 1.073 107 L CA 1.914 56.639 54.840 -0.192 0.000 0.748 107 L CB -0.770 41.176 42.059 -0.189 0.000 0.891 107 L HN 0.255 nan 8.230 nan 0.000 0.431 108 H N -0.318 118.819 119.070 0.111 0.000 2.353 108 H HA -0.110 4.435 4.556 -0.020 0.000 0.300 108 H C 2.371 177.697 175.328 -0.003 0.000 1.090 108 H CA 1.987 58.090 56.048 0.091 0.000 1.327 108 H CB -0.449 29.391 29.762 0.130 0.000 1.383 108 H HN 0.386 nan 8.280 nan 0.000 0.508 109 L N 0.187 121.499 121.223 0.149 0.000 2.017 109 L HA -0.128 4.200 4.340 -0.020 0.000 0.208 109 L C 2.847 179.629 176.870 -0.147 0.000 1.073 109 L CA 1.058 55.944 54.840 0.077 0.000 0.745 109 L CB -0.586 41.589 42.059 0.193 0.000 0.894 109 L HN 0.204 nan 8.230 nan 0.000 0.432 110 A N -0.306 122.260 122.820 -0.424 0.000 2.070 110 A HA -0.147 4.161 4.320 -0.020 0.000 0.220 110 A C 2.047 179.195 177.584 -0.727 0.000 1.159 110 A CA 1.955 53.493 52.037 -0.831 0.000 0.656 110 A CB -0.657 17.440 19.000 -1.505 0.000 0.800 110 A HN 0.534 nan 8.150 nan 0.000 0.453 111 T N -6.436 107.807 114.554 -0.517 0.000 3.132 111 T HA 0.330 4.668 4.350 -0.020 0.000 0.274 111 T C 0.265 174.724 174.700 -0.402 0.000 1.011 111 T CA 0.225 62.038 62.100 -0.478 0.000 0.899 111 T CB -0.784 68.104 68.868 0.033 0.000 1.089 111 T HN 0.694 nan 8.240 nan 0.000 0.543 112 Y N 0.926 121.214 120.300 -0.020 0.000 4.272 112 Y HA -0.275 4.264 4.550 -0.019 0.000 0.232 112 Y C 1.139 177.016 175.900 -0.038 0.000 1.149 112 Y CA 0.521 58.615 58.100 -0.009 0.000 1.961 112 Y CB -2.949 35.528 38.460 0.029 0.000 1.611 112 Y HN 0.586 nan 8.280 nan 0.000 0.682 113 T N -4.163 110.389 114.554 -0.002 0.000 3.228 113 T HA 0.665 5.003 4.350 -0.020 0.000 0.278 113 T C 1.300 175.982 174.700 -0.030 0.000 1.014 113 T CA 0.131 62.157 62.100 -0.124 0.000 0.904 113 T CB 0.817 69.343 68.868 -0.569 0.000 1.110 113 T HN 0.486 nan 8.240 nan 0.000 0.541 114 A N 1.186 124.047 122.820 0.068 0.000 2.168 114 A HA 0.583 4.891 4.320 -0.020 0.000 0.215 114 A C 1.915 179.575 177.584 0.126 0.000 1.152 114 A CA 0.628 52.689 52.037 0.040 0.000 0.716 114 A CB -0.769 18.256 19.000 0.042 0.000 0.794 114 A HN 1.430 nan 8.150 nan 0.000 0.465 115 G N -3.330 105.625 108.800 0.258 0.000 2.148 115 G HA2 0.387 4.335 3.960 -0.020 0.000 0.120 115 G HA3 0.387 4.335 3.960 -0.020 0.000 0.120 115 G C 0.990 176.046 174.900 0.260 0.000 1.034 115 G CA 0.372 45.682 45.100 0.350 0.000 0.710 115 G HN 1.964 nan 8.290 nan 0.000 0.495 116 G N -0.697 108.280 108.800 0.295 0.000 2.151 116 G HA2 -0.076 3.872 3.960 -0.020 0.000 0.156 116 G HA3 -0.076 3.872 3.960 -0.020 0.000 0.156 116 G C 0.398 175.434 174.900 0.227 0.000 1.017 116 G CA -0.041 45.055 45.100 -0.007 0.000 0.686 116 G HN 1.173 nan 8.290 nan 0.000 0.503 117 L N 1.870 123.127 121.223 0.056 0.000 2.514 117 L HA 0.259 4.588 4.340 -0.020 0.000 0.280 117 L C -0.783 176.074 176.870 -0.021 0.000 1.223 117 L CA -1.162 53.480 54.840 -0.331 0.000 0.864 117 L CB 0.398 42.221 42.059 -0.392 0.000 1.118 117 L HN 0.120 nan 8.230 nan 0.000 0.494 118 P HA -0.009 nan 4.420 nan 0.000 0.274 118 P C 0.453 177.807 177.300 0.090 0.000 1.237 118 P CA -0.569 62.593 63.100 0.102 0.000 0.793 118 P CB 1.169 32.968 31.700 0.165 0.000 0.977 119 L N 1.484 122.754 121.223 0.078 0.000 2.012 119 L HA -0.128 4.200 4.340 -0.020 0.000 0.210 119 L C 0.837 177.732 176.870 0.043 0.000 1.073 119 L CA 2.099 56.971 54.840 0.053 0.000 0.748 119 L CB -0.890 41.212 42.059 0.071 0.000 0.891 119 L HN 0.432 nan 8.230 nan 0.000 0.431 120 Q N -0.953 118.872 119.800 0.042 0.000 2.309 120 Q HA 0.501 4.830 4.340 -0.020 0.000 0.264 120 Q C -0.945 175.031 176.000 -0.040 0.000 1.008 120 Q CA -0.740 55.067 55.803 0.006 0.000 0.853 120 Q CB 2.508 31.238 28.738 -0.013 0.000 1.314 120 Q HN -0.030 nan 8.270 nan 0.000 0.448 121 V N 3.917 123.763 119.914 -0.113 0.000 2.530 121 V HA 0.227 4.335 4.120 -0.020 0.000 0.282 121 V C -2.008 173.895 176.094 -0.318 0.000 1.048 121 V CA -1.477 60.586 62.300 -0.395 0.000 0.997 121 V CB 0.668 32.289 31.823 -0.336 0.000 0.987 121 V HN 0.690 nan 8.190 nan 0.000 0.477 122 P HA 0.041 nan 4.420 nan 0.000 0.268 122 P C 0.607 177.810 177.300 -0.162 0.000 1.208 122 P CA -0.073 62.907 63.100 -0.201 0.000 0.777 122 P CB 0.545 32.146 31.700 -0.165 0.000 0.875 123 D N 1.700 122.051 120.400 -0.082 0.000 2.144 123 D HA -0.191 4.437 4.640 -0.020 0.000 0.199 123 D C 1.430 177.703 176.300 -0.045 0.000 0.984 123 D CA 1.188 55.160 54.000 -0.047 0.000 0.834 123 D CB 0.008 40.794 40.800 -0.024 0.000 0.955 123 D HN 0.482 nan 8.370 nan 0.000 0.465 124 E N 0.019 120.189 120.200 -0.049 0.000 2.418 124 E HA -0.067 4.271 4.350 -0.020 0.000 0.197 124 E C 0.411 176.986 176.600 -0.043 0.000 1.026 124 E CA 0.142 56.522 56.400 -0.033 0.000 0.862 124 E CB -0.165 29.525 29.700 -0.017 0.000 0.799 124 E HN 0.087 nan 8.360 nan 0.000 0.518 125 V N 2.216 122.075 119.914 -0.091 0.000 2.368 125 V HA 0.126 4.234 4.120 -0.020 0.000 0.266 125 V C 0.839 176.892 176.094 -0.069 0.000 1.045 125 V CA -0.016 62.224 62.300 -0.101 0.000 0.899 125 V CB 1.028 32.700 31.823 -0.253 0.000 1.006 125 V HN 0.131 nan 8.190 nan 0.000 0.470 126 K N 2.105 122.490 120.400 -0.026 0.000 2.509 126 K HA 0.174 4.483 4.320 -0.020 0.000 0.205 126 K C 1.078 177.680 176.600 0.003 0.000 1.336 126 K CA 0.311 56.589 56.287 -0.014 0.000 0.912 126 K CB 0.407 32.903 32.500 -0.007 0.000 1.568 126 K HN 0.667 nan 8.250 nan 0.000 0.475 127 S N 0.907 116.618 115.700 0.019 0.000 2.608 127 S HA 0.012 4.470 4.470 -0.020 0.000 0.261 127 S C 1.353 175.990 174.600 0.062 0.000 1.314 127 S CA 0.027 58.246 58.200 0.033 0.000 0.992 127 S CB 1.388 64.609 63.200 0.036 0.000 0.935 127 S HN 0.276 nan 8.310 nan 0.000 0.564 128 S N 0.363 116.104 115.700 0.067 0.000 2.402 128 S HA -0.131 4.327 4.470 -0.020 0.000 0.229 128 S C 1.965 176.669 174.600 0.173 0.000 1.021 128 S CA 1.213 59.480 58.200 0.112 0.000 0.974 128 S CB -1.135 62.112 63.200 0.079 0.000 0.800 128 S HN 0.810 nan 8.310 nan 0.000 0.484 129 S N 1.648 117.421 115.700 0.123 0.000 2.383 129 S HA -0.119 4.339 4.470 -0.020 0.000 0.227 129 S C 1.507 176.181 174.600 0.124 0.000 1.026 129 S CA 1.304 59.576 58.200 0.120 0.000 0.981 129 S CB -0.803 62.443 63.200 0.077 0.000 0.818 129 S HN 0.549 nan 8.310 nan 0.000 0.472 130 D N 1.112 121.575 120.400 0.106 0.000 2.144 130 D HA -0.068 4.560 4.640 -0.020 0.000 0.199 130 D C 1.847 178.239 176.300 0.154 0.000 0.984 130 D CA 0.748 54.807 54.000 0.098 0.000 0.834 130 D CB -0.456 40.377 40.800 0.054 0.000 0.955 130 D HN 0.338 nan 8.370 nan 0.000 0.465 131 L N 0.471 121.815 121.223 0.203 0.000 2.056 131 L HA -0.075 4.254 4.340 -0.020 0.000 0.207 131 L C 2.138 179.299 176.870 0.486 0.000 1.078 131 L CA 1.026 56.068 54.840 0.335 0.000 0.749 131 L CB -0.531 41.751 42.059 0.371 0.000 0.901 131 L HN 0.000 nan 8.230 nan 0.000 0.433 132 L N -0.293 121.171 121.223 0.402 0.000 2.046 132 L HA -0.211 4.117 4.340 -0.020 0.000 0.208 132 L C 2.713 179.611 176.870 0.047 0.000 1.077 132 L CA 1.952 56.855 54.840 0.106 0.000 0.747 132 L CB -0.659 41.407 42.059 0.012 0.000 0.896 132 L HN 0.324 nan 8.230 nan 0.000 0.432 133 R N -1.374 119.190 120.500 0.107 0.000 2.081 133 R HA -0.247 4.081 4.340 -0.020 0.000 0.235 133 R C 2.339 178.718 176.300 0.132 0.000 1.131 133 R CA 1.947 58.101 56.100 0.090 0.000 0.960 133 R CB -0.638 29.717 30.300 0.091 0.000 0.856 133 R HN 0.461 nan 8.270 nan 0.000 0.436 134 F N 0.414 120.365 119.950 0.000 0.000 2.102 134 F HA -0.213 4.303 4.527 -0.018 0.000 0.298 134 F C 1.407 177.196 175.800 -0.017 0.000 1.105 134 F CA 1.496 59.456 58.000 -0.067 0.000 1.239 134 F CB -0.576 38.294 39.000 -0.216 0.000 0.991 134 F HN 0.007 nan 8.300 nan 0.000 0.474 135 Y N 0.547 120.844 120.300 -0.006 0.000 2.314 135 Y HA -0.145 4.393 4.550 -0.019 0.000 0.293 135 Y C 2.603 178.642 175.900 0.232 0.000 1.129 135 Y CA 1.395 59.500 58.100 0.009 0.000 1.201 135 Y CB -0.858 37.581 38.460 -0.036 0.000 0.999 135 Y HN 0.151 nan 8.280 nan 0.000 0.541 136 Q N 0.023 119.927 119.800 0.174 0.000 2.119 136 Q HA -0.156 4.173 4.340 -0.020 0.000 0.201 136 Q C 1.445 177.557 176.000 0.185 0.000 0.972 136 Q CA 1.346 57.252 55.803 0.172 0.000 0.847 136 Q CB -0.496 28.252 28.738 0.017 0.000 0.903 136 Q HN 0.669 nan 8.270 nan 0.000 0.433 137 N N -0.592 118.176 118.700 0.113 0.000 2.446 137 N HA -0.078 4.651 4.740 -0.020 0.000 0.179 137 N C 0.098 175.636 175.510 0.048 0.000 1.054 137 N CA -0.322 52.765 53.050 0.061 0.000 0.905 137 N CB 0.068 38.584 38.487 0.048 0.000 0.973 137 N HN 0.176 nan 8.380 nan 0.000 0.448 138 W N 3.063 124.276 121.300 -0.146 0.000 2.264 138 W HA 0.008 4.657 4.660 -0.019 0.000 0.331 138 W C -0.581 175.837 176.519 -0.168 0.000 1.364 138 W CA -0.062 57.158 57.345 -0.209 0.000 1.253 138 W CB 0.515 29.803 29.460 -0.286 0.000 1.215 138 W HN -0.035 nan 8.180 nan 0.000 0.561 139 Q N 8.729 128.011 119.800 -0.863 0.000 2.368 139 Q HA 0.295 4.623 4.340 -0.020 0.000 0.263 139 Q C -2.067 173.097 176.000 -1.393 0.000 1.009 139 Q CA -2.079 53.145 55.803 -0.966 0.000 0.818 139 Q CB 1.123 29.565 28.738 -0.494 0.000 1.239 139 Q HN 0.383 nan 8.270 nan 0.000 0.464 140 P HA 0.085 nan 4.420 nan 0.000 0.271 140 P C -0.119 176.764 177.300 -0.696 0.000 1.216 140 P CA 0.044 62.434 63.100 -1.183 0.000 0.776 140 P CB 1.046 32.161 31.700 -0.975 0.000 0.881 141 A N 3.052 125.444 122.820 -0.714 0.000 2.021 141 A HA 0.092 4.400 4.320 -0.020 0.000 0.216 141 A C 0.337 177.576 177.584 -0.575 0.000 1.163 141 A CA 0.658 52.235 52.037 -0.768 0.000 0.676 141 A CB -0.220 18.044 19.000 -1.225 0.000 0.818 141 A HN 0.568 nan 8.150 nan 0.000 0.453 142 W N -2.219 119.018 121.300 -0.104 0.000 2.962 142 W HA 0.698 5.346 4.660 -0.020 0.000 0.341 142 W C 0.100 176.553 176.519 -0.110 0.000 1.155 142 W CA -1.512 55.781 57.345 -0.087 0.000 1.165 142 W CB 0.833 30.260 29.460 -0.055 0.000 1.435 142 W HN 0.148 nan 8.180 nan 0.000 0.546 143 A N 2.676 125.586 122.820 0.150 0.000 2.406 143 A HA 0.548 4.857 4.320 -0.020 0.000 0.243 143 A C -2.203 175.392 177.584 0.018 0.000 1.082 143 A CA -0.860 51.200 52.037 0.038 0.000 0.786 143 A CB -0.752 18.267 19.000 0.033 0.000 1.029 143 A HN 0.202 nan 8.150 nan 0.000 0.495 144 P HA 0.297 nan 4.420 nan 0.000 0.269 144 P C 0.763 177.932 177.300 -0.218 0.000 1.209 144 P CA 1.566 64.493 63.100 -0.287 0.000 0.776 144 P CB 0.542 31.956 31.700 -0.476 0.000 0.876 145 G N 1.664 110.300 108.800 -0.274 0.000 2.198 145 G HA2 -0.263 3.685 3.960 -0.020 0.000 0.260 145 G HA3 -0.263 3.685 3.960 -0.020 0.000 0.260 145 G C 0.637 175.498 174.900 -0.064 0.000 1.025 145 G CA 0.731 45.807 45.100 -0.039 0.000 0.769 145 G HN 0.688 nan 8.290 nan 0.000 0.507 146 T N -4.723 109.751 114.554 -0.134 0.000 2.987 146 T HA 0.450 4.788 4.350 -0.020 0.000 0.248 146 T C 0.672 175.217 174.700 -0.258 0.000 0.997 146 T CA 0.885 62.915 62.100 -0.117 0.000 1.013 146 T CB 0.614 69.443 68.868 -0.066 0.000 1.077 146 T HN 0.481 nan 8.240 nan 0.000 0.483 147 Q N 0.355 119.950 119.800 -0.341 0.000 2.389 147 Q HA 0.521 4.849 4.340 -0.020 0.000 0.277 147 Q C -1.491 174.327 176.000 -0.303 0.000 1.082 147 Q CA -0.851 54.650 55.803 -0.502 0.000 0.810 147 Q CB 3.251 31.260 28.738 -1.216 0.000 1.374 147 Q HN 0.219 nan 8.270 nan 0.000 0.422 148 R N 1.850 122.212 120.500 -0.231 0.000 2.346 148 R HA 0.567 4.895 4.340 -0.020 0.000 0.311 148 R C -1.588 174.757 176.300 0.076 0.000 0.983 148 R CA -0.557 55.520 56.100 -0.039 0.000 0.880 148 R CB 0.715 31.010 30.300 -0.009 0.000 1.100 148 R HN 0.484 nan 8.270 nan 0.000 0.453 149 L N 5.647 126.997 121.223 0.213 0.000 2.457 149 L HA 0.266 4.594 4.340 -0.020 0.000 0.266 149 L C -1.485 175.462 176.870 0.129 0.000 0.979 149 L CA -0.665 54.313 54.840 0.229 0.000 0.857 149 L CB 1.118 43.413 42.059 0.392 0.000 1.213 149 L HN 0.646 nan 8.230 nan 0.000 0.418 150 Y N 4.735 124.927 120.300 -0.180 0.000 2.805 150 Y HA 0.365 4.903 4.550 -0.020 0.000 0.331 150 Y C 0.084 175.810 175.900 -0.290 0.000 1.241 150 Y CA 1.047 58.798 58.100 -0.581 0.000 1.546 150 Y CB 0.444 38.634 38.460 -0.450 0.000 1.248 150 Y HN 0.843 nan 8.280 nan 0.000 0.559 151 A N 5.647 128.067 122.820 -0.666 0.000 2.513 151 A HA 0.294 4.602 4.320 -0.020 0.000 0.296 151 A C -0.176 177.313 177.584 -0.158 0.000 1.052 151 A CA -0.918 50.982 52.037 -0.229 0.000 0.714 151 A CB 0.909 19.917 19.000 0.013 0.000 1.279 151 A HN 0.797 nan 8.150 nan 0.000 0.397 152 N N 1.083 119.734 118.700 -0.081 0.000 2.270 152 N HA -0.134 4.595 4.740 -0.020 0.000 0.181 152 N C 1.964 177.542 175.510 0.113 0.000 1.016 152 N CA 1.810 54.884 53.050 0.040 0.000 0.870 152 N CB -0.066 38.502 38.487 0.134 0.000 0.979 152 N HN 0.831 nan 8.380 nan 0.000 0.431 153 S N -0.839 114.949 115.700 0.146 0.000 2.474 153 S HA 0.020 4.478 4.470 -0.020 0.000 0.235 153 S C 2.024 176.803 174.600 0.299 0.000 0.997 153 S CA 0.932 59.300 58.200 0.279 0.000 0.949 153 S CB -0.009 63.402 63.200 0.352 0.000 0.766 153 S HN 0.186 nan 8.310 nan 0.000 0.517 154 S N 1.192 117.003 115.700 0.185 0.000 2.339 154 S HA 0.248 4.706 4.470 -0.020 0.000 0.213 154 S C 1.638 176.319 174.600 0.135 0.000 1.033 154 S CA 0.473 58.767 58.200 0.157 0.000 0.950 154 S CB -0.532 62.777 63.200 0.181 0.000 0.893 154 S HN 0.566 nan 8.310 nan 0.000 0.492 155 I N 1.239 121.888 120.570 0.132 0.000 2.546 155 I HA 0.033 4.191 4.170 -0.020 0.000 0.255 155 I C 2.079 178.270 176.117 0.123 0.000 1.163 155 I CA 1.126 62.488 61.300 0.103 0.000 1.457 155 I CB -0.540 37.507 38.000 0.078 0.000 1.092 155 I HN 0.469 nan 8.210 nan 0.000 0.434 156 G N 0.996 109.841 108.800 0.074 0.000 2.418 156 G HA2 -0.288 3.660 3.960 -0.020 0.000 0.217 156 G HA3 -0.288 3.660 3.960 -0.020 0.000 0.217 156 G C 1.532 176.392 174.900 -0.066 0.000 1.158 156 G CA 0.861 45.944 45.100 -0.028 0.000 0.771 156 G HN 0.387 nan 8.290 nan 0.000 0.545 157 L N -0.221 121.010 121.223 0.013 0.000 2.093 157 L HA 0.144 4.472 4.340 -0.020 0.000 0.208 157 L C 2.419 179.233 176.870 -0.094 0.000 1.085 157 L CA 1.473 56.253 54.840 -0.100 0.000 0.755 157 L CB -0.714 41.223 42.059 -0.204 0.000 0.904 157 L HN 0.229 nan 8.230 nan 0.000 0.435 158 F N 0.406 120.285 119.950 -0.118 0.000 2.095 158 F HA -0.096 4.419 4.527 -0.020 0.000 0.298 158 F C 2.162 177.889 175.800 -0.121 0.000 1.104 158 F CA 1.837 59.770 58.000 -0.111 0.000 1.232 158 F CB -1.011 37.937 39.000 -0.087 0.000 0.987 158 F HN 0.115 nan 8.300 nan 0.000 0.475 159 G N -0.344 108.323 108.800 -0.222 0.000 2.418 159 G HA2 -0.207 3.741 3.960 -0.020 0.000 0.217 159 G HA3 -0.207 3.741 3.960 -0.020 0.000 0.217 159 G C 1.822 176.551 174.900 -0.285 0.000 1.158 159 G CA 0.856 45.792 45.100 -0.273 0.000 0.771 159 G HN 0.651 nan 8.290 nan 0.000 0.545 160 A N 0.457 123.063 122.820 -0.356 0.000 1.933 160 A HA 0.118 4.426 4.320 -0.020 0.000 0.218 160 A C 2.414 179.804 177.584 -0.323 0.000 1.175 160 A CA 1.232 53.077 52.037 -0.319 0.000 0.628 160 A CB -0.323 18.460 19.000 -0.362 0.000 0.814 160 A HN 0.362 nan 8.150 nan 0.000 0.444 161 L N -1.147 119.849 121.223 -0.378 0.000 2.179 161 L HA -0.063 4.265 4.340 -0.020 0.000 0.208 161 L C 3.007 179.600 176.870 -0.462 0.000 1.096 161 L CA 0.792 55.406 54.840 -0.376 0.000 0.779 161 L CB -0.564 41.315 42.059 -0.301 0.000 0.922 161 L HN 0.413 nan 8.230 nan 0.000 0.443 162 A N 0.378 122.848 122.820 -0.584 0.000 1.972 162 A HA -0.141 4.167 4.320 -0.020 0.000 0.219 162 A C 2.135 179.499 177.584 -0.366 0.000 1.169 162 A CA 1.832 53.503 52.037 -0.610 0.000 0.635 162 A CB -0.679 17.810 19.000 -0.852 0.000 0.810 162 A HN 0.349 nan 8.150 nan 0.000 0.446 163 V N -3.426 116.336 119.914 -0.253 0.000 3.608 163 V HA 0.087 4.195 4.120 -0.020 0.000 0.269 163 V C 1.654 177.663 176.094 -0.143 0.000 1.245 163 V CA 1.175 63.373 62.300 -0.170 0.000 1.138 163 V CB -0.505 31.254 31.823 -0.106 0.000 0.841 163 V HN 0.413 nan 8.190 nan 0.000 0.451 164 K N 1.271 121.577 120.400 -0.157 0.000 2.032 164 K HA -0.069 4.240 4.320 -0.020 0.000 0.209 164 K C -0.062 176.509 176.600 -0.048 0.000 1.048 164 K CA 2.122 58.351 56.287 -0.097 0.000 0.927 164 K CB -1.319 31.135 32.500 -0.078 0.000 0.712 164 K HN 0.479 nan 8.250 nan 0.000 0.441 165 P HA -0.130 nan 4.420 nan 0.000 0.222 165 P C 1.247 178.531 177.300 -0.026 0.000 1.147 165 P CA 1.277 64.380 63.100 0.004 0.000 0.790 165 P CB 0.053 31.776 31.700 0.040 0.000 0.780 166 S N -1.520 114.145 115.700 -0.057 0.000 2.453 166 S HA 0.052 4.510 4.470 -0.020 0.000 0.231 166 S C 1.946 176.512 174.600 -0.057 0.000 1.005 166 S CA 1.135 59.297 58.200 -0.063 0.000 0.949 166 S CB -1.381 61.764 63.200 -0.093 0.000 0.774 166 S HN 0.282 nan 8.310 nan 0.000 0.510 167 G N 0.767 109.534 108.800 -0.055 0.000 2.253 167 G HA2 -0.238 3.710 3.960 -0.020 0.000 0.251 167 G HA3 -0.238 3.710 3.960 -0.020 0.000 0.251 167 G C 0.049 174.914 174.900 -0.058 0.000 0.998 167 G CA 0.393 45.464 45.100 -0.049 0.000 0.621 167 G HN 0.573 nan 8.290 nan 0.000 0.524 168 L N 1.875 123.054 121.223 -0.074 0.000 2.439 168 L HA 0.557 4.886 4.340 -0.020 0.000 0.261 168 L C 1.545 178.366 176.870 -0.082 0.000 1.153 168 L CA -0.142 54.647 54.840 -0.084 0.000 0.808 168 L CB 1.152 43.143 42.059 -0.113 0.000 1.126 168 L HN 0.439 nan 8.230 nan 0.000 0.460 169 S N 0.352 116.007 115.700 -0.074 0.000 2.600 169 S HA 0.051 4.509 4.470 -0.020 0.000 0.265 169 S C 0.814 175.380 174.600 -0.056 0.000 1.325 169 S CA -0.408 57.764 58.200 -0.047 0.000 1.002 169 S CB 0.507 63.684 63.200 -0.038 0.000 0.921 169 S HN 0.545 nan 8.310 nan 0.000 0.554 170 F N 1.121 120.979 119.950 -0.152 0.000 2.126 170 F HA -0.093 4.422 4.527 -0.020 0.000 0.299 170 F C 2.489 178.178 175.800 -0.186 0.000 1.096 170 F CA 2.230 60.124 58.000 -0.177 0.000 1.255 170 F CB -0.385 38.509 39.000 -0.178 0.000 0.997 170 F HN 0.945 nan 8.300 nan 0.000 0.479 171 E N -0.376 119.777 120.200 -0.078 0.000 2.051 171 E HA -0.316 4.022 4.350 -0.020 0.000 0.192 171 E C 2.217 178.666 176.600 -0.252 0.000 0.991 171 E CA 1.311 57.614 56.400 -0.163 0.000 0.799 171 E CB -0.282 29.400 29.700 -0.029 0.000 0.748 171 E HN 0.440 nan 8.360 nan 0.000 0.449 172 Q N 0.535 120.227 119.800 -0.180 0.000 2.124 172 Q HA -0.108 4.220 4.340 -0.020 0.000 0.202 172 Q C 1.814 177.665 176.000 -0.247 0.000 0.977 172 Q CA 1.967 57.667 55.803 -0.172 0.000 0.850 172 Q CB -0.436 28.233 28.738 -0.115 0.000 0.901 172 Q HN 0.356 nan 8.270 nan 0.000 0.429 173 A N -0.092 122.543 122.820 -0.309 0.000 1.877 173 A HA -0.176 4.132 4.320 -0.020 0.000 0.216 173 A C 2.086 179.389 177.584 -0.469 0.000 1.186 173 A CA 1.802 53.632 52.037 -0.345 0.000 0.620 173 A CB -0.668 18.120 19.000 -0.354 0.000 0.822 173 A HN 0.520 nan 8.150 nan 0.000 0.443 174 M N -0.055 119.124 119.600 -0.702 0.000 2.108 174 M HA -0.208 4.260 4.480 -0.020 0.000 0.261 174 M C 2.120 177.868 176.300 -0.920 0.000 1.066 174 M CA 1.999 56.754 55.300 -0.909 0.000 1.107 174 M CB -0.570 31.323 32.600 -1.178 0.000 1.356 174 M HN 0.538 nan 8.290 nan 0.000 0.406 175 Q N -1.494 117.924 119.800 -0.636 0.000 2.050 175 Q HA -0.143 4.186 4.340 -0.020 0.000 0.202 175 Q C 1.929 177.804 176.000 -0.208 0.000 0.980 175 Q CA 2.158 57.759 55.803 -0.337 0.000 0.840 175 Q CB -0.400 28.255 28.738 -0.137 0.000 0.898 175 Q HN 0.516 nan 8.270 nan 0.000 0.424 176 T N 0.402 114.835 114.554 -0.202 0.000 2.857 176 T HA -0.030 4.309 4.350 -0.020 0.000 0.266 176 T C 1.610 176.237 174.700 -0.122 0.000 1.048 176 T CA 0.946 62.967 62.100 -0.132 0.000 1.139 176 T CB 0.018 68.813 68.868 -0.121 0.000 0.874 176 T HN 0.192 nan 8.240 nan 0.000 0.455 177 R N -0.262 120.135 120.500 -0.171 0.000 2.265 177 R HA 0.269 4.597 4.340 -0.020 0.000 0.194 177 R C 1.559 177.809 176.300 -0.084 0.000 0.931 177 R CA 0.280 56.306 56.100 -0.122 0.000 1.032 177 R CB 0.407 30.622 30.300 -0.143 0.000 0.980 177 R HN 0.225 nan 8.270 nan 0.000 0.497 178 V N -0.867 118.966 119.914 -0.134 0.000 3.134 178 V HA 0.021 4.129 4.120 -0.020 0.000 0.222 178 V C 1.419 177.591 176.094 0.130 0.000 1.247 178 V CA 0.505 62.802 62.300 -0.004 0.000 1.281 178 V CB -0.305 31.477 31.823 -0.067 0.000 1.169 178 V HN -0.029 nan 8.190 nan 0.000 0.512 179 F N 1.496 121.387 119.950 -0.098 0.000 2.075 179 F HA -0.139 4.376 4.527 -0.020 0.000 0.297 179 F C 2.618 178.347 175.800 -0.118 0.000 1.113 179 F CA 1.474 59.385 58.000 -0.148 0.000 1.218 179 F CB -1.270 37.562 39.000 -0.280 0.000 0.984 179 F HN 0.190 nan 8.300 nan 0.000 0.472 180 Q N -0.168 119.685 119.800 0.088 0.000 2.050 180 Q HA -0.160 4.168 4.340 -0.020 0.000 0.202 180 Q C -0.292 175.721 176.000 0.021 0.000 0.980 180 Q CA 1.875 57.687 55.803 0.016 0.000 0.840 180 Q CB -1.526 27.203 28.738 -0.016 0.000 0.898 180 Q HN 0.270 nan 8.270 nan 0.000 0.424 181 P HA -0.149 nan 4.420 nan 0.000 0.218 181 P C 0.645 177.976 177.300 0.053 0.000 1.148 181 P CA 1.233 64.353 63.100 0.033 0.000 0.822 181 P CB 0.042 31.762 31.700 0.033 0.000 0.784 182 L N -1.425 119.855 121.223 0.094 0.000 2.611 182 L HA 0.162 4.491 4.340 -0.020 0.000 0.229 182 L C 0.385 177.300 176.870 0.075 0.000 1.137 182 L CA 0.069 54.977 54.840 0.113 0.000 0.901 182 L CB -0.677 41.517 42.059 0.225 0.000 1.098 182 L HN -0.047 nan 8.230 nan 0.000 0.456 183 K N 0.781 121.202 120.400 0.034 0.000 3.096 183 K HA -0.168 4.141 4.320 -0.020 0.000 0.266 183 K C -0.321 176.256 176.600 -0.038 0.000 1.043 183 K CA 0.419 56.702 56.287 -0.007 0.000 0.758 183 K CB -1.802 30.701 32.500 0.004 0.000 1.260 183 K HN 0.325 nan 8.250 nan 0.000 0.481 184 L N 1.291 122.468 121.223 -0.077 0.000 2.397 184 L HA 0.164 4.492 4.340 -0.020 0.000 0.263 184 L C 0.999 177.619 176.870 -0.417 0.000 1.136 184 L CA -0.489 54.224 54.840 -0.211 0.000 1.019 184 L CB 0.252 42.152 42.059 -0.265 0.000 1.352 184 L HN 0.168 nan 8.230 nan 0.000 0.420 185 N N 0.162 118.642 118.700 -0.366 0.000 2.336 185 N HA 0.005 4.733 4.740 -0.020 0.000 0.189 185 N C 0.236 175.085 175.510 -1.102 0.000 1.113 185 N CA 0.442 53.132 53.050 -0.600 0.000 0.858 185 N CB 0.327 38.573 38.487 -0.402 0.000 0.970 185 N HN 0.577 nan 8.380 nan 0.000 0.471 186 H N -1.205 117.482 119.070 -0.638 0.000 2.676 186 H HA 0.315 4.859 4.556 -0.020 0.000 0.238 186 H C -0.646 174.119 175.328 -0.937 0.000 1.276 186 H CA -0.145 55.521 56.048 -0.635 0.000 0.983 186 H CB 0.473 30.131 29.762 -0.172 0.000 2.000 186 H HN -0.190 nan 8.280 nan 0.000 0.584 187 T N 0.428 114.107 114.554 -1.458 0.000 2.848 187 T HA 0.387 4.726 4.350 -0.020 0.000 0.285 187 T C -1.069 172.691 174.700 -1.566 0.000 0.995 187 T CA -0.639 60.645 62.100 -1.359 0.000 0.970 187 T CB 1.169 69.162 68.868 -1.457 0.000 0.976 187 T HN 0.283 nan 8.240 nan 0.000 0.441 188 W N 2.265 123.245 121.300 -0.533 0.000 3.127 188 W HA 0.551 5.201 4.660 -0.018 0.000 0.330 188 W C 0.409 176.800 176.519 -0.213 0.000 1.187 188 W CA -0.931 56.231 57.345 -0.305 0.000 1.198 188 W CB 0.926 30.210 29.460 -0.293 0.000 1.408 188 W HN 0.342 nan 8.180 nan 0.000 0.529 189 I N 1.481 122.147 120.570 0.160 0.000 2.731 189 I HA 0.040 4.198 4.170 -0.020 0.000 0.260 189 I C -0.195 175.923 176.117 0.002 0.000 1.138 189 I CA 0.751 62.085 61.300 0.057 0.000 1.461 189 I CB -0.641 37.406 38.000 0.077 0.000 1.128 189 I HN 0.442 nan 8.210 nan 0.000 0.438 190 N N 0.024 118.737 118.700 0.021 0.000 2.399 190 N HA 0.302 5.030 4.740 -0.020 0.000 0.280 190 N C -0.659 174.734 175.510 -0.196 0.000 1.008 190 N CA -0.272 52.730 53.050 -0.081 0.000 0.894 190 N CB 2.695 41.143 38.487 -0.066 0.000 1.273 190 N HN -0.258 nan 8.380 nan 0.000 0.486 191 V N 3.652 123.361 119.914 -0.343 0.000 2.446 191 V HA 0.178 4.286 4.120 -0.020 0.000 0.276 191 V C -1.773 173.991 176.094 -0.551 0.000 1.030 191 V CA -1.054 60.881 62.300 -0.607 0.000 1.033 191 V CB 0.007 31.418 31.823 -0.687 0.000 0.993 191 V HN 0.590 nan 8.190 nan 0.000 0.477 192 P HA 0.223 nan 4.420 nan 0.000 0.272 192 P C -2.060 175.018 177.300 -0.371 0.000 1.223 192 P CA -1.479 61.302 63.100 -0.531 0.000 0.784 192 P CB 0.177 31.471 31.700 -0.677 0.000 0.923 193 P HA -0.205 nan 4.420 nan 0.000 0.217 193 P C 1.158 178.377 177.300 -0.135 0.000 1.148 193 P CA 1.792 64.806 63.100 -0.143 0.000 0.828 193 P CB -0.322 31.320 31.700 -0.095 0.000 0.783 194 A N -0.172 122.550 122.820 -0.163 0.000 2.070 194 A HA -0.165 4.143 4.320 -0.020 0.000 0.220 194 A C 1.804 179.318 177.584 -0.118 0.000 1.159 194 A CA 1.417 53.384 52.037 -0.117 0.000 0.656 194 A CB -0.669 18.265 19.000 -0.109 0.000 0.800 194 A HN 0.121 nan 8.150 nan 0.000 0.453 195 E N -0.319 119.752 120.200 -0.215 0.000 2.481 195 E HA 0.018 4.357 4.350 -0.020 0.000 0.198 195 E C 1.169 177.699 176.600 -0.118 0.000 1.027 195 E CA 0.132 56.425 56.400 -0.179 0.000 0.900 195 E CB -0.134 29.340 29.700 -0.376 0.000 0.993 195 E HN 0.748 nan 8.360 nan 0.000 0.482 196 E N 1.513 121.656 120.200 -0.096 0.000 2.209 196 E HA -0.212 4.126 4.350 -0.020 0.000 0.196 196 E C 1.842 178.470 176.600 0.047 0.000 0.993 196 E CA 1.235 57.634 56.400 -0.002 0.000 0.819 196 E CB -0.188 29.518 29.700 0.009 0.000 0.745 196 E HN 0.301 nan 8.360 nan 0.000 0.477 197 K N 0.366 120.786 120.400 0.032 0.000 2.280 197 K HA -0.132 4.176 4.320 -0.020 0.000 0.202 197 K C 1.067 177.705 176.600 0.063 0.000 1.047 197 K CA 1.630 57.950 56.287 0.054 0.000 0.942 197 K CB -0.144 32.379 32.500 0.040 0.000 0.739 197 K HN 0.057 nan 8.250 nan 0.000 0.457 198 N N -0.557 118.176 118.700 0.054 0.000 2.236 198 N HA 0.022 4.750 4.740 -0.020 0.000 0.196 198 N C -0.965 174.595 175.510 0.083 0.000 1.114 198 N CA -0.411 52.672 53.050 0.057 0.000 0.859 198 N CB 0.327 38.842 38.487 0.047 0.000 0.982 198 N HN 0.205 nan 8.380 nan 0.000 0.493 199 Y N 2.146 122.386 120.300 -0.099 0.000 2.504 199 Y HA 0.371 4.911 4.550 -0.016 0.000 0.351 199 Y C 0.300 176.115 175.900 -0.142 0.000 0.988 199 Y CA -1.393 56.605 58.100 -0.169 0.000 1.239 199 Y CB 0.267 38.562 38.460 -0.275 0.000 1.128 199 Y HN -0.015 nan 8.280 nan 0.000 0.525 200 A N 6.059 128.933 122.820 0.090 0.000 2.466 200 A HA -0.000 4.308 4.320 -0.020 0.000 0.238 200 A C -1.080 176.496 177.584 -0.014 0.000 1.074 200 A CA -0.157 51.899 52.037 0.031 0.000 0.774 200 A CB 0.268 19.234 19.000 -0.056 0.000 1.015 200 A HN 0.926 nan 8.150 nan 0.000 0.498 201 W N 0.483 121.803 121.300 0.032 0.000 2.316 201 W HA 0.494 5.151 4.660 -0.005 0.000 0.321 201 W C 0.868 177.114 176.519 -0.456 0.000 1.203 201 W CA 0.576 57.754 57.345 -0.278 0.000 1.214 201 W CB 1.206 30.357 29.460 -0.516 0.000 1.169 201 W HN 0.936 nan 8.180 nan 0.000 0.561 202 G N 1.235 109.835 108.800 -0.334 0.000 2.477 202 G HA2 0.509 4.457 3.960 -0.020 0.000 0.304 202 G HA3 0.509 4.457 3.960 -0.020 0.000 0.304 202 G C -2.139 172.353 174.900 -0.680 0.000 1.175 202 G CA -0.477 44.143 45.100 -0.801 0.000 0.907 202 G HN 0.416 nan 8.290 nan 0.000 0.509 203 Y N -0.423 119.791 120.300 -0.144 0.000 2.338 203 Y HA 0.554 5.090 4.550 -0.022 0.000 0.333 203 Y C 0.420 176.314 175.900 -0.010 0.000 0.968 203 Y CA -0.800 57.275 58.100 -0.042 0.000 1.123 203 Y CB 2.321 40.762 38.460 -0.032 0.000 1.165 203 Y HN 0.494 nan 8.280 nan 0.000 0.452 204 R N 2.789 123.349 120.500 0.100 0.000 2.483 204 R HA 0.303 4.632 4.340 -0.020 0.000 0.303 204 R C -0.662 175.684 176.300 0.076 0.000 0.987 204 R CA -0.313 55.837 56.100 0.085 0.000 0.881 204 R CB 0.720 31.057 30.300 0.061 0.000 1.177 204 R HN 0.917 nan 8.270 nan 0.000 0.451 205 E N 2.690 122.933 120.200 0.073 0.000 2.476 205 E HA -0.252 4.086 4.350 -0.020 0.000 0.251 205 E C 0.470 177.104 176.600 0.057 0.000 1.130 205 E CA 0.828 57.260 56.400 0.052 0.000 0.736 205 E CB -1.090 28.632 29.700 0.036 0.000 1.298 205 E HN 1.196 nan 8.360 nan 0.000 0.400 206 G N -0.053 108.802 108.800 0.091 0.000 2.184 206 G HA2 -0.373 3.576 3.960 -0.020 0.000 0.264 206 G HA3 -0.373 3.576 3.960 -0.020 0.000 0.264 206 G C 0.199 175.193 174.900 0.157 0.000 0.975 206 G CA 1.016 46.178 45.100 0.103 0.000 0.642 206 G HN 0.275 nan 8.290 nan 0.000 0.536 207 K N 0.597 121.065 120.400 0.113 0.000 2.138 207 K HA 0.694 5.003 4.320 -0.020 0.000 0.263 207 K C 0.417 176.969 176.600 -0.081 0.000 0.965 207 K CA -0.073 56.230 56.287 0.027 0.000 0.868 207 K CB 1.800 34.288 32.500 -0.019 0.000 1.083 207 K HN 0.436 nan 8.250 nan 0.000 0.443 208 A N 2.286 124.950 122.820 -0.260 0.000 2.409 208 A HA 0.402 4.711 4.320 -0.020 0.000 0.267 208 A C -0.077 177.343 177.584 -0.273 0.000 1.127 208 A CA -0.395 51.292 52.037 -0.583 0.000 0.795 208 A CB -0.157 18.326 19.000 -0.862 0.000 1.061 208 A HN 0.539 nan 8.150 nan 0.000 0.502 209 V N 0.956 120.815 119.914 -0.092 0.000 3.049 209 V HA 0.691 4.800 4.120 -0.020 0.000 0.309 209 V C -0.764 175.432 176.094 0.170 0.000 1.148 209 V CA -0.831 61.525 62.300 0.092 0.000 0.990 209 V CB 1.288 33.149 31.823 0.064 0.000 1.039 209 V HN 0.960 nan 8.190 nan 0.000 0.430 210 H N 0.601 119.790 119.070 0.199 0.000 2.679 210 H HA 0.685 5.231 4.556 -0.016 0.000 0.367 210 H C -0.471 174.944 175.328 0.146 0.000 1.162 210 H CA -0.952 55.149 56.048 0.088 0.000 1.181 210 H CB 2.295 31.969 29.762 -0.145 0.000 1.693 210 H HN 0.811 nan 8.280 nan 0.000 0.538 211 V N 2.433 122.530 119.914 0.306 0.000 2.694 211 V HA -0.018 4.091 4.120 -0.020 0.000 0.306 211 V C -0.159 176.054 176.094 0.199 0.000 1.054 211 V CA 0.389 62.829 62.300 0.234 0.000 1.161 211 V CB 0.743 32.709 31.823 0.239 0.000 0.916 211 V HN 0.745 nan 8.190 nan 0.000 0.490 212 S N 8.100 123.903 115.700 0.173 0.000 2.586 212 S HA 0.491 4.949 4.470 -0.020 0.000 0.274 212 S C -2.269 172.421 174.600 0.150 0.000 1.281 212 S CA -0.727 57.557 58.200 0.140 0.000 1.035 212 S CB 1.136 64.399 63.200 0.106 0.000 0.962 212 S HN 0.872 nan 8.310 nan 0.000 0.512 213 P HA 0.450 nan 4.420 nan 0.000 0.272 213 P C -0.189 177.162 177.300 0.086 0.000 1.223 213 P CA -0.237 62.908 63.100 0.075 0.000 0.784 213 P CB 0.530 32.252 31.700 0.037 0.000 0.923 214 G N -0.451 108.392 108.800 0.071 0.000 2.646 214 G HA2 0.543 4.491 3.960 -0.020 0.000 0.291 214 G HA3 0.543 4.491 3.960 -0.020 0.000 0.291 214 G C -1.383 173.518 174.900 0.002 0.000 1.445 214 G CA -0.469 44.675 45.100 0.073 0.000 0.814 214 G HN 0.538 nan 8.290 nan 0.000 0.495 215 A N 0.136 122.945 122.820 -0.019 0.000 2.511 215 A HA 0.548 4.856 4.320 -0.020 0.000 0.242 215 A C 1.419 178.961 177.584 -0.071 0.000 1.069 215 A CA 0.524 52.529 52.037 -0.052 0.000 0.763 215 A CB -0.361 18.601 19.000 -0.064 0.000 1.001 215 A HN 1.751 nan 8.150 nan 0.000 0.498 216 L N 0.289 121.437 121.223 -0.126 0.000 4.179 216 L HA -0.326 4.003 4.340 -0.020 0.000 0.418 216 L C 1.257 177.925 176.870 -0.336 0.000 1.168 216 L CA 0.719 55.439 54.840 -0.199 0.000 0.972 216 L CB -1.758 40.247 42.059 -0.090 0.000 2.005 216 L HN 1.013 nan 8.230 nan 0.000 0.935 217 D N 0.340 120.492 120.400 -0.414 0.000 2.117 217 D HA -0.151 4.478 4.640 -0.020 0.000 0.197 217 D C 1.961 177.831 176.300 -0.715 0.000 0.987 217 D CA 1.479 54.933 54.000 -0.910 0.000 0.829 217 D CB -0.126 40.280 40.800 -0.657 0.000 0.961 217 D HN 0.447 nan 8.370 nan 0.000 0.460 218 A N 0.612 123.182 122.820 -0.417 0.000 1.940 218 A HA -0.206 4.102 4.320 -0.020 0.000 0.219 218 A C 2.050 179.444 177.584 -0.317 0.000 1.176 218 A CA 1.865 53.747 52.037 -0.257 0.000 0.631 218 A CB -0.588 18.352 19.000 -0.101 0.000 0.814 218 A HN 0.222 nan 8.150 nan 0.000 0.446 219 E N -0.684 119.142 120.200 -0.624 0.000 2.230 219 E HA 0.222 4.560 4.350 -0.020 0.000 0.192 219 E C 1.877 178.329 176.600 -0.248 0.000 0.987 219 E CA 1.056 57.018 56.400 -0.731 0.000 0.841 219 E CB -0.142 29.025 29.700 -0.889 0.000 0.783 219 E HN 0.583 nan 8.360 nan 0.000 0.481 220 A N -0.406 122.278 122.820 -0.228 0.000 2.055 220 A HA 0.127 4.436 4.320 -0.020 0.000 0.205 220 A C 0.722 178.387 177.584 0.135 0.000 1.235 220 A CA 0.404 52.433 52.037 -0.012 0.000 0.822 220 A CB 0.047 19.100 19.000 0.089 0.000 0.903 220 A HN 0.373 nan 8.150 nan 0.000 0.473 221 Y N -4.062 116.253 120.300 0.024 0.000 2.998 221 Y HA 0.493 5.031 4.550 -0.020 0.000 0.264 221 Y C 0.781 176.698 175.900 0.029 0.000 1.092 221 Y CA -0.380 57.750 58.100 0.051 0.000 1.247 221 Y CB -0.339 38.158 38.460 0.061 0.000 1.283 221 Y HN 0.004 nan 8.280 nan 0.000 0.605 222 G N 0.733 109.447 108.800 -0.144 0.000 3.393 222 G HA2 0.381 4.329 3.960 -0.020 0.000 0.255 222 G HA3 0.381 4.329 3.960 -0.020 0.000 0.255 222 G C -0.329 174.531 174.900 -0.067 0.000 1.097 222 G CA -0.021 45.012 45.100 -0.113 0.000 0.780 222 G HN 0.116 nan 8.290 nan 0.000 0.540 223 V N 0.621 120.501 119.914 -0.056 0.000 2.546 223 V HA 0.403 4.511 4.120 -0.020 0.000 0.284 223 V C -0.216 175.787 176.094 -0.151 0.000 1.050 223 V CA -0.344 61.873 62.300 -0.138 0.000 0.981 223 V CB 1.421 33.084 31.823 -0.267 0.000 0.990 223 V HN 0.158 nan 8.190 nan 0.000 0.474 224 K N 2.454 122.734 120.400 -0.200 0.000 2.259 224 K HA 0.798 5.107 4.320 -0.020 0.000 0.252 224 K C -0.530 175.955 176.600 -0.192 0.000 0.936 224 K CA -0.206 55.961 56.287 -0.200 0.000 0.810 224 K CB 2.028 34.324 32.500 -0.339 0.000 1.143 224 K HN 0.710 nan 8.250 nan 0.000 0.427 225 S N 0.095 115.742 115.700 -0.089 0.000 2.615 225 S HA 0.598 5.056 4.470 -0.020 0.000 0.269 225 S C -1.231 173.423 174.600 0.090 0.000 1.161 225 S CA -0.716 57.427 58.200 -0.096 0.000 0.817 225 S CB 0.957 64.057 63.200 -0.166 0.000 1.131 225 S HN 0.682 nan 8.310 nan 0.000 0.467 226 T N 0.144 114.739 114.554 0.068 0.000 2.912 226 T HA 0.530 4.869 4.350 -0.020 0.000 0.280 226 T C 1.249 176.031 174.700 0.137 0.000 0.989 226 T CA -0.525 61.662 62.100 0.145 0.000 0.995 226 T CB 0.833 69.725 68.868 0.041 0.000 1.077 226 T HN 0.456 nan 8.240 nan 0.000 0.531 227 I N 0.715 121.377 120.570 0.154 0.000 2.361 227 I HA -0.046 4.112 4.170 -0.020 0.000 0.251 227 I C 2.328 178.517 176.117 0.120 0.000 1.133 227 I CA 1.474 62.864 61.300 0.150 0.000 1.413 227 I CB -0.536 37.573 38.000 0.181 0.000 1.073 227 I HN 0.820 nan 8.210 nan 0.000 0.424 228 E N -0.084 120.070 120.200 -0.076 0.000 2.047 228 E HA -0.213 4.126 4.350 -0.020 0.000 0.191 228 E C 1.673 178.315 176.600 0.069 0.000 0.987 228 E CA 1.388 57.727 56.400 -0.102 0.000 0.799 228 E CB -0.159 29.366 29.700 -0.290 0.000 0.752 228 E HN 0.463 nan 8.360 nan 0.000 0.449 229 D N 0.118 120.540 120.400 0.036 0.000 2.178 229 D HA -0.109 4.519 4.640 -0.020 0.000 0.202 229 D C 1.809 178.202 176.300 0.156 0.000 0.974 229 D CA 0.866 54.896 54.000 0.049 0.000 0.841 229 D CB 0.022 40.781 40.800 -0.068 0.000 0.953 229 D HN 0.068 nan 8.370 nan 0.000 0.478 230 M N 0.203 119.913 119.600 0.184 0.000 2.229 230 M HA 0.010 4.478 4.480 -0.020 0.000 0.264 230 M C 2.204 178.678 176.300 0.290 0.000 1.063 230 M CA 0.634 56.106 55.300 0.287 0.000 1.114 230 M CB -1.012 31.741 32.600 0.255 0.000 1.387 230 M HN -0.023 nan 8.290 nan 0.000 0.420 231 A N -0.097 122.872 122.820 0.249 0.000 1.902 231 A HA -0.185 4.124 4.320 -0.020 0.000 0.217 231 A C 2.381 180.045 177.584 0.133 0.000 1.181 231 A CA 1.780 53.933 52.037 0.194 0.000 0.623 231 A CB -0.691 18.472 19.000 0.272 0.000 0.818 231 A HN 0.453 nan 8.150 nan 0.000 0.443 232 R N -1.346 119.252 120.500 0.162 0.000 2.096 232 R HA -0.171 4.157 4.340 -0.020 0.000 0.235 232 R C 2.142 178.547 176.300 0.175 0.000 1.127 232 R CA 1.533 57.708 56.100 0.126 0.000 0.968 232 R CB -0.358 30.017 30.300 0.126 0.000 0.861 232 R HN 0.844 nan 8.270 nan 0.000 0.440 233 W N 0.382 121.700 121.300 0.031 0.000 2.358 233 W HA -0.195 4.454 4.660 -0.019 0.000 0.303 233 W C 1.429 177.892 176.519 -0.093 0.000 1.208 233 W CA 1.161 58.516 57.345 0.017 0.000 1.274 233 W CB -0.081 29.437 29.460 0.096 0.000 1.138 233 W HN -0.040 nan 8.180 nan 0.000 0.515 234 V N 1.169 121.026 119.914 -0.094 0.000 2.343 234 V HA -0.348 3.760 4.120 -0.020 0.000 0.247 234 V C 2.402 178.173 176.094 -0.538 0.000 1.051 234 V CA 2.479 64.513 62.300 -0.443 0.000 1.036 234 V CB -1.134 30.558 31.823 -0.218 0.000 0.654 234 V HN 0.191 nan 8.190 nan 0.000 0.451 235 Q N 0.521 120.150 119.800 -0.284 0.000 2.096 235 Q HA -0.177 4.151 4.340 -0.020 0.000 0.204 235 Q C 2.261 178.076 176.000 -0.310 0.000 0.982 235 Q CA 2.399 58.041 55.803 -0.268 0.000 0.850 235 Q CB -0.499 28.153 28.738 -0.145 0.000 0.901 235 Q HN 0.613 nan 8.270 nan 0.000 0.422 236 S N 0.475 116.009 115.700 -0.277 0.000 2.382 236 S HA -0.062 4.396 4.470 -0.020 0.000 0.228 236 S C 1.532 175.875 174.600 -0.427 0.000 1.027 236 S CA 1.160 59.203 58.200 -0.262 0.000 0.991 236 S CB -0.291 62.830 63.200 -0.133 0.000 0.823 236 S HN 0.495 nan 8.310 nan 0.000 0.469 237 N N 0.934 119.208 118.700 -0.710 0.000 2.416 237 N HA 0.149 4.878 4.740 -0.020 0.000 0.177 237 N C 1.519 176.532 175.510 -0.829 0.000 1.036 237 N CA 0.440 52.977 53.050 -0.854 0.000 0.901 237 N CB -0.061 37.676 38.487 -1.250 0.000 0.976 237 N HN 0.337 nan 8.380 nan 0.000 0.444 238 L N 0.577 121.313 121.223 -0.812 0.000 2.131 238 L HA -0.010 4.318 4.340 -0.020 0.000 0.206 238 L C 0.461 177.147 176.870 -0.307 0.000 1.087 238 L CA 1.099 55.616 54.840 -0.537 0.000 0.767 238 L CB 0.142 41.935 42.059 -0.444 0.000 0.917 238 L HN -0.080 nan 8.230 nan 0.000 0.441 239 K N -0.669 119.564 120.400 -0.278 0.000 2.842 239 K HA 0.219 4.527 4.320 -0.020 0.000 0.176 239 K C -2.017 174.487 176.600 -0.161 0.000 1.080 239 K CA -1.300 54.876 56.287 -0.185 0.000 0.954 239 K CB 1.274 33.682 32.500 -0.153 0.000 1.203 239 K HN -0.144 nan 8.250 nan 0.000 0.611 240 P HA -0.161 nan 4.420 nan 0.000 0.219 240 P C 0.943 178.195 177.300 -0.080 0.000 1.146 240 P CA 1.003 64.031 63.100 -0.120 0.000 0.808 240 P CB 0.213 31.850 31.700 -0.105 0.000 0.779 241 L N -0.795 120.382 121.223 -0.076 0.000 2.362 241 L HA -0.094 4.234 4.340 -0.020 0.000 0.219 241 L C 1.458 178.298 176.870 -0.051 0.000 1.134 241 L CA 1.133 55.939 54.840 -0.057 0.000 0.807 241 L CB -0.809 41.218 42.059 -0.054 0.000 0.927 241 L HN -0.013 nan 8.230 nan 0.000 0.447 242 D N 0.434 120.797 120.400 -0.060 0.000 2.347 242 D HA 0.100 4.728 4.640 -0.020 0.000 0.215 242 D C 0.926 177.202 176.300 -0.039 0.000 0.976 242 D CA 0.507 54.476 54.000 -0.051 0.000 0.884 242 D CB 0.270 41.035 40.800 -0.059 0.000 0.915 242 D HN 0.279 nan 8.370 nan 0.000 0.526 243 I N 2.122 122.669 120.570 -0.038 0.000 2.471 243 I HA -0.033 4.126 4.170 -0.020 0.000 0.286 243 I C 1.387 177.494 176.117 -0.016 0.000 1.079 243 I CA -0.334 60.953 61.300 -0.022 0.000 1.398 243 I CB 0.742 38.731 38.000 -0.019 0.000 1.403 243 I HN -0.221 nan 8.210 nan 0.000 0.530 244 N N 4.131 122.825 118.700 -0.010 0.000 2.216 244 N HA -0.083 4.646 4.740 -0.020 0.000 0.183 244 N C 0.182 175.688 175.510 -0.006 0.000 1.017 244 N CA 0.795 53.839 53.050 -0.009 0.000 0.861 244 N CB -0.060 38.423 38.487 -0.008 0.000 0.986 244 N HN 0.540 nan 8.380 nan 0.000 0.428 245 E N 1.395 121.594 120.200 -0.001 0.000 2.292 245 E HA 0.041 4.379 4.350 -0.020 0.000 0.265 245 E C 0.835 177.435 176.600 0.000 0.000 1.093 245 E CA 0.112 56.513 56.400 0.000 0.000 0.922 245 E CB 0.631 30.334 29.700 0.006 0.000 1.001 245 E HN 0.203 nan 8.360 nan 0.000 0.444 246 K N 1.204 121.602 120.400 -0.002 0.000 2.032 246 K HA -0.193 4.115 4.320 -0.020 0.000 0.209 246 K C 1.903 178.504 176.600 0.003 0.000 1.048 246 K CA 1.939 58.224 56.287 -0.002 0.000 0.927 246 K CB -0.317 32.181 32.500 -0.003 0.000 0.712 246 K HN 0.583 nan 8.250 nan 0.000 0.441 247 T N -0.068 114.489 114.554 0.005 0.000 2.951 247 T HA -0.042 4.296 4.350 -0.020 0.000 0.268 247 T C 1.822 176.534 174.700 0.020 0.000 1.073 247 T CA 0.617 62.724 62.100 0.011 0.000 1.134 247 T CB -0.155 68.716 68.868 0.005 0.000 0.884 247 T HN 0.045 nan 8.240 nan 0.000 0.479 248 L N 1.205 122.440 121.223 0.021 0.000 2.072 248 L HA 0.111 4.439 4.340 -0.020 0.000 0.205 248 L C 2.764 179.655 176.870 0.034 0.000 1.079 248 L CA 1.754 56.618 54.840 0.039 0.000 0.752 248 L CB -1.061 41.024 42.059 0.044 0.000 0.906 248 L HN 0.377 nan 8.230 nan 0.000 0.436 249 Q N -0.904 118.904 119.800 0.015 0.000 2.061 249 Q HA -0.286 4.042 4.340 -0.020 0.000 0.204 249 Q C 2.227 178.229 176.000 0.004 0.000 0.984 249 Q CA 2.252 58.054 55.803 -0.002 0.000 0.846 249 Q CB -0.169 28.562 28.738 -0.011 0.000 0.902 249 Q HN 0.660 nan 8.270 nan 0.000 0.421 250 Q N -0.738 119.070 119.800 0.013 0.000 2.084 250 Q HA -0.125 4.203 4.340 -0.020 0.000 0.202 250 Q C 2.064 178.090 176.000 0.045 0.000 0.978 250 Q CA 1.225 57.041 55.803 0.022 0.000 0.844 250 Q CB -0.287 28.465 28.738 0.023 0.000 0.898 250 Q HN 0.599 nan 8.270 nan 0.000 0.426 251 G N 0.946 109.781 108.800 0.057 0.000 2.440 251 G HA2 -0.248 3.700 3.960 -0.020 0.000 0.218 251 G HA3 -0.248 3.700 3.960 -0.020 0.000 0.218 251 G C 1.390 176.356 174.900 0.111 0.000 1.154 251 G CA 0.701 45.855 45.100 0.091 0.000 0.767 251 G HN 0.243 nan 8.290 nan 0.000 0.552 252 I N 0.201 120.818 120.570 0.079 0.000 2.226 252 I HA -0.232 3.926 4.170 -0.020 0.000 0.245 252 I C 3.044 179.193 176.117 0.054 0.000 1.100 252 I CA 1.252 62.587 61.300 0.058 0.000 1.374 252 I CB -0.289 37.688 38.000 -0.037 0.000 1.057 252 I HN 0.253 nan 8.210 nan 0.000 0.413 253 Q N 0.454 120.270 119.800 0.026 0.000 2.084 253 Q HA -0.189 4.140 4.340 -0.020 0.000 0.202 253 Q C 2.368 178.403 176.000 0.058 0.000 0.978 253 Q CA 1.389 57.201 55.803 0.016 0.000 0.844 253 Q CB -0.147 28.589 28.738 -0.004 0.000 0.898 253 Q HN 0.536 nan 8.270 nan 0.000 0.426 254 L N -0.077 121.205 121.223 0.099 0.000 2.141 254 L HA -0.131 4.197 4.340 -0.020 0.000 0.209 254 L C 2.390 179.417 176.870 0.262 0.000 1.094 254 L CA 0.770 55.708 54.840 0.163 0.000 0.763 254 L CB -0.500 41.663 42.059 0.173 0.000 0.908 254 L HN 0.197 nan 8.230 nan 0.000 0.437 255 A N -0.753 122.217 122.820 0.250 0.000 2.066 255 A HA -0.156 4.152 4.320 -0.020 0.000 0.218 255 A C 2.065 179.886 177.584 0.394 0.000 1.157 255 A CA 1.040 53.282 52.037 0.342 0.000 0.670 255 A CB -0.215 19.017 19.000 0.387 0.000 0.804 255 A HN 0.483 nan 8.150 nan 0.000 0.453 256 Q N 0.041 119.986 119.800 0.241 0.000 2.319 256 Q HA 0.177 4.505 4.340 -0.020 0.000 0.202 256 Q C -0.082 175.947 176.000 0.049 0.000 0.896 256 Q CA -0.293 55.590 55.803 0.132 0.000 0.942 256 Q CB 0.360 29.092 28.738 -0.010 0.000 1.083 256 Q HN 0.496 nan 8.270 nan 0.000 0.510 257 S N 0.953 116.672 115.700 0.031 0.000 2.585 257 S HA 0.217 4.675 4.470 -0.020 0.000 0.273 257 S C 0.093 174.512 174.600 -0.301 0.000 1.339 257 S CA -0.147 57.917 58.200 -0.227 0.000 1.028 257 S CB 0.589 63.529 63.200 -0.434 0.000 0.906 257 S HN 0.221 nan 8.310 nan 0.000 0.528 258 R N 1.363 121.634 120.500 -0.381 0.000 2.215 258 R HA 0.257 4.585 4.340 -0.020 0.000 0.336 258 R C -0.391 175.723 176.300 -0.310 0.000 0.996 258 R CA -0.158 55.830 56.100 -0.187 0.000 0.847 258 R CB 0.470 30.631 30.300 -0.232 0.000 1.127 258 R HN 0.693 nan 8.270 nan 0.000 0.465 259 Y N 0.660 120.964 120.300 0.006 0.000 2.479 259 Y HA 0.144 4.683 4.550 -0.019 0.000 0.283 259 Y C 0.111 175.695 175.900 -0.527 0.000 1.109 259 Y CA 0.271 58.213 58.100 -0.263 0.000 1.239 259 Y CB 0.570 38.886 38.460 -0.239 0.000 1.108 259 Y HN 0.460 nan 8.280 nan 0.000 0.548 260 W N -0.246 121.233 121.300 0.298 0.000 3.167 260 W HA 0.532 5.181 4.660 -0.019 0.000 0.324 260 W C -0.952 175.691 176.519 0.207 0.000 1.230 260 W CA -1.000 56.478 57.345 0.221 0.000 1.184 260 W CB 1.126 30.700 29.460 0.190 0.000 1.414 260 W HN -0.460 nan 8.180 nan 0.000 0.551 261 Q N 1.423 121.437 119.800 0.356 0.000 2.340 261 Q HA 0.626 4.955 4.340 -0.020 0.000 0.268 261 Q C -1.190 174.842 176.000 0.054 0.000 1.031 261 Q CA -0.434 55.411 55.803 0.070 0.000 0.804 261 Q CB 2.326 31.040 28.738 -0.040 0.000 1.286 261 Q HN 0.434 nan 8.270 nan 0.000 0.448 262 T N 2.832 117.370 114.554 -0.027 0.000 2.906 262 T HA 0.605 4.943 4.350 -0.020 0.000 0.302 262 T C 0.395 175.053 174.700 -0.070 0.000 1.002 262 T CA 0.730 62.819 62.100 -0.018 0.000 0.988 262 T CB 0.581 69.460 68.868 0.017 0.000 0.972 262 T HN 1.017 nan 8.240 nan 0.000 0.447 263 G N 5.198 113.955 108.800 -0.071 0.000 2.591 263 G HA2 -0.260 3.688 3.960 -0.020 0.000 0.298 263 G HA3 -0.260 3.688 3.960 -0.020 0.000 0.298 263 G C 0.282 175.104 174.900 -0.131 0.000 1.195 263 G CA 0.590 45.644 45.100 -0.077 0.000 0.989 263 G HN 0.689 nan 8.290 nan 0.000 0.551 264 D N 0.898 121.230 120.400 -0.113 0.000 2.340 264 D HA 0.199 4.827 4.640 -0.020 0.000 0.217 264 D C 1.124 177.318 176.300 -0.177 0.000 1.081 264 D CA 0.241 54.163 54.000 -0.129 0.000 0.842 264 D CB 0.242 41.010 40.800 -0.054 0.000 0.934 264 D HN 0.365 nan 8.370 nan 0.000 0.511 265 M N 0.719 120.208 119.600 -0.185 0.000 2.472 265 M HA 0.304 4.773 4.480 -0.020 0.000 0.331 265 M C -1.633 174.541 176.300 -0.211 0.000 1.170 265 M CA -0.520 54.736 55.300 -0.073 0.000 1.009 265 M CB 1.465 34.115 32.600 0.083 0.000 1.672 265 M HN -0.212 nan 8.290 nan 0.000 0.453 266 Y N 1.760 122.179 120.300 0.198 0.000 2.393 266 Y HA 0.411 4.949 4.550 -0.020 0.000 0.341 266 Y C -0.286 175.783 175.900 0.281 0.000 0.988 266 Y CA -0.700 57.529 58.100 0.215 0.000 1.078 266 Y CB 1.617 40.168 38.460 0.153 0.000 1.203 266 Y HN 0.592 nan 8.280 nan 0.000 0.453 267 Q N 1.948 122.043 119.800 0.491 0.000 2.303 267 Q HA 0.586 4.915 4.340 -0.020 0.000 0.257 267 Q C -0.046 176.265 176.000 0.517 0.000 0.941 267 Q CA -0.234 55.860 55.803 0.484 0.000 0.931 267 Q CB 1.254 30.295 28.738 0.505 0.000 1.215 267 Q HN 0.893 nan 8.270 nan 0.000 0.437 268 G N 2.767 111.843 108.800 0.461 0.000 2.736 268 G HA2 0.485 4.434 3.960 -0.020 0.000 0.229 268 G HA3 0.485 4.434 3.960 -0.020 0.000 0.229 268 G C -0.932 174.145 174.900 0.295 0.000 1.380 268 G CA -0.837 44.562 45.100 0.498 0.000 1.040 268 G HN 0.596 nan 8.290 nan 0.000 0.568 269 L N 1.178 122.544 121.223 0.239 0.000 2.270 269 L HA 0.456 4.785 4.340 -0.020 0.000 0.286 269 L C 1.347 178.267 176.870 0.083 0.000 1.059 269 L CA 0.440 55.284 54.840 0.008 0.000 0.839 269 L CB 0.439 42.490 42.059 -0.013 0.000 1.221 269 L HN 1.048 nan 8.230 nan 0.000 0.431 270 G N 2.122 110.947 108.800 0.041 0.000 3.909 270 G HA2 -0.298 3.651 3.960 -0.020 0.000 0.218 270 G HA3 -0.298 3.651 3.960 -0.020 0.000 0.218 270 G C -0.011 174.936 174.900 0.079 0.000 1.404 270 G CA -0.247 44.870 45.100 0.027 0.000 0.905 270 G HN 0.504 nan 8.290 nan 0.000 0.589 271 W N 2.415 123.846 121.300 0.218 0.000 2.137 271 W HA 0.567 5.216 4.660 -0.019 0.000 0.344 271 W C 0.849 177.514 176.519 0.243 0.000 1.286 271 W CA -0.079 57.388 57.345 0.204 0.000 1.240 271 W CB 0.386 29.939 29.460 0.155 0.000 1.141 271 W HN 0.361 nan 8.180 nan 0.000 0.579 272 E N 1.402 121.946 120.200 0.573 0.000 2.277 272 E HA 0.628 4.966 4.350 -0.020 0.000 0.266 272 E C -0.887 176.020 176.600 0.511 0.000 0.901 272 E CA -1.163 55.543 56.400 0.509 0.000 0.782 272 E CB 1.863 31.846 29.700 0.472 0.000 1.228 272 E HN 0.180 nan 8.360 nan 0.000 0.424 273 M N 1.657 121.514 119.600 0.428 0.000 2.531 273 M HA 0.463 4.932 4.480 -0.020 0.000 0.286 273 M C -1.652 174.875 176.300 0.379 0.000 1.232 273 M CA -0.334 55.157 55.300 0.319 0.000 0.877 273 M CB 1.833 34.555 32.600 0.203 0.000 1.726 273 M HN 0.306 nan 8.290 nan 0.000 0.463 274 L N 0.446 121.859 121.223 0.315 0.000 2.371 274 L HA 0.571 4.900 4.340 -0.020 0.000 0.262 274 L C -0.766 176.290 176.870 0.309 0.000 1.006 274 L CA -0.685 54.347 54.840 0.321 0.000 0.818 274 L CB 1.890 44.057 42.059 0.180 0.000 1.354 274 L HN 0.553 nan 8.230 nan 0.000 0.415 275 D N 0.885 121.462 120.400 0.296 0.000 2.424 275 D HA 0.001 4.629 4.640 -0.020 0.000 0.244 275 D C -0.960 175.500 176.300 0.267 0.000 1.134 275 D CA 0.169 54.306 54.000 0.229 0.000 0.881 275 D CB 1.220 42.125 40.800 0.175 0.000 1.191 275 D HN 0.363 nan 8.370 nan 0.000 0.445 276 W N 4.557 125.915 121.300 0.096 0.000 2.496 276 W HA 0.298 4.946 4.660 -0.020 0.000 0.327 276 W C -2.337 174.230 176.519 0.080 0.000 1.086 276 W CA -1.785 55.630 57.345 0.116 0.000 1.222 276 W CB 1.289 30.829 29.460 0.133 0.000 1.304 276 W HN 0.236 nan 8.180 nan 0.000 0.547 277 P HA 0.285 nan 4.420 nan 0.000 0.274 277 P C -0.949 176.063 177.300 -0.479 0.000 1.231 277 P CA 0.035 62.420 63.100 -1.191 0.000 0.790 277 P CB 1.909 32.998 31.700 -1.017 0.000 0.951 278 V N -1.360 118.305 119.914 -0.414 0.000 3.087 278 V HA 0.557 4.666 4.120 -0.020 0.000 0.306 278 V C -0.766 175.235 176.094 -0.155 0.000 1.187 278 V CA -1.176 61.022 62.300 -0.170 0.000 0.999 278 V CB 1.944 33.721 31.823 -0.076 0.000 1.049 278 V HN 0.706 nan 8.190 nan 0.000 0.431 279 N N 2.370 120.898 118.700 -0.287 0.000 2.487 279 N HA 0.502 5.230 4.740 -0.020 0.000 0.292 279 N C -1.989 173.134 175.510 -0.645 0.000 1.108 279 N CA -2.048 50.684 53.050 -0.530 0.000 0.956 279 N CB 1.554 39.807 38.487 -0.390 0.000 1.176 279 N HN 0.467 nan 8.380 nan 0.000 0.484 280 P HA -0.182 nan 4.420 nan 0.000 0.216 280 P C 0.417 177.496 177.300 -0.368 0.000 1.150 280 P CA 1.357 64.068 63.100 -0.649 0.000 0.843 280 P CB 0.325 31.632 31.700 -0.654 0.000 0.787 281 D N -0.404 119.794 120.400 -0.335 0.000 2.221 281 D HA -0.078 4.550 4.640 -0.020 0.000 0.204 281 D C 1.986 178.183 176.300 -0.172 0.000 0.982 281 D CA 1.127 54.998 54.000 -0.215 0.000 0.857 281 D CB -0.226 40.460 40.800 -0.191 0.000 0.934 281 D HN 0.207 nan 8.370 nan 0.000 0.475 282 S N -0.007 115.575 115.700 -0.197 0.000 2.439 282 S HA 0.080 4.539 4.470 -0.020 0.000 0.224 282 S C 2.163 176.692 174.600 -0.118 0.000 1.029 282 S CA -0.086 58.029 58.200 -0.141 0.000 0.946 282 S CB 0.321 63.438 63.200 -0.139 0.000 0.797 282 S HN 0.233 nan 8.310 nan 0.000 0.504 283 I N 1.405 121.869 120.570 -0.177 0.000 2.286 283 I HA -0.093 4.065 4.170 -0.020 0.000 0.248 283 I C 1.071 177.197 176.117 0.014 0.000 1.115 283 I CA 0.850 62.075 61.300 -0.125 0.000 1.392 283 I CB -0.263 37.567 38.000 -0.284 0.000 1.065 283 I HN 0.193 nan 8.210 nan 0.000 0.418 289 N N 3.089 121.746 118.700 -0.071 0.000 2.575 289 N HA -0.117 4.611 4.740 -0.020 0.000 0.192 289 N C 1.026 176.515 175.510 -0.034 0.000 1.200 289 N CA 0.188 53.202 53.050 -0.060 0.000 0.897 289 N CB 0.112 38.563 38.487 -0.060 0.000 0.990 289 N HN 0.442 nan 8.380 nan 0.000 0.449 290 K N 0.412 120.794 120.400 -0.030 0.000 2.418 290 K HA 0.174 4.482 4.320 -0.020 0.000 0.195 290 K C -0.034 176.560 176.600 -0.010 0.000 1.035 290 K CA 0.125 56.403 56.287 -0.016 0.000 1.003 290 K CB 0.186 32.677 32.500 -0.015 0.000 0.793 290 K HN 0.167 nan 8.250 nan 0.000 0.494 291 I N 0.918 121.479 120.570 -0.015 0.000 2.321 291 I HA 0.126 4.284 4.170 -0.020 0.000 0.291 291 I C 0.870 176.988 176.117 0.000 0.000 0.998 291 I CA -0.541 60.755 61.300 -0.005 0.000 1.227 291 I CB 1.843 39.838 38.000 -0.008 0.000 1.368 291 I HN 0.014 nan 8.210 nan 0.000 0.466 292 A N 7.150 129.979 122.820 0.014 0.000 1.968 292 A HA 0.133 4.441 4.320 -0.020 0.000 0.217 292 A C 0.713 178.322 177.584 0.042 0.000 1.169 292 A CA 1.044 53.096 52.037 0.025 0.000 0.638 292 A CB 0.190 19.206 19.000 0.027 0.000 0.812 292 A HN 0.643 nan 8.150 nan 0.000 0.446 293 L N -1.471 119.781 121.223 0.047 0.000 2.562 293 L HA 0.622 4.951 4.340 -0.020 0.000 0.266 293 L C -1.523 175.389 176.870 0.070 0.000 0.949 293 L CA -0.588 54.296 54.840 0.074 0.000 0.879 293 L CB 1.895 44.005 42.059 0.085 0.000 1.278 293 L HN 0.056 nan 8.230 nan 0.000 0.404 294 A N 4.452 127.315 122.820 0.072 0.000 2.545 294 A HA 0.809 5.117 4.320 -0.020 0.000 0.300 294 A C -0.269 177.354 177.584 0.065 0.000 1.252 294 A CA -0.081 51.987 52.037 0.052 0.000 0.753 294 A CB 1.096 20.105 19.000 0.016 0.000 1.144 294 A HN 0.879 nan 8.150 nan 0.000 0.457 295 A N 3.261 126.128 122.820 0.079 0.000 2.320 295 A HA 0.747 5.055 4.320 -0.020 0.000 0.287 295 A C 0.141 177.666 177.584 -0.099 0.000 1.181 295 A CA -0.379 51.676 52.037 0.030 0.000 0.831 295 A CB 0.368 19.453 19.000 0.142 0.000 1.102 295 A HN 0.665 nan 8.150 nan 0.000 0.513 296 R N 2.412 122.816 120.500 -0.162 0.000 2.628 296 R HA 0.455 4.783 4.340 -0.020 0.000 0.288 296 R C -3.199 172.970 176.300 -0.219 0.000 0.980 296 R CA -2.041 53.968 56.100 -0.152 0.000 0.891 296 R CB 1.762 32.019 30.300 -0.072 0.000 1.188 296 R HN 0.407 nan 8.270 nan 0.000 0.450 297 P HA 0.090 nan 4.420 nan 0.000 0.271 297 P C -0.419 176.819 177.300 -0.103 0.000 1.218 297 P CA -0.371 62.612 63.100 -0.195 0.000 0.780 297 P CB 0.753 32.370 31.700 -0.138 0.000 0.901 298 V N -0.538 119.328 119.914 -0.080 0.000 2.864 298 V HA 0.627 4.736 4.120 -0.020 0.000 0.314 298 V C -0.485 175.724 176.094 0.191 0.000 1.073 298 V CA -1.052 61.281 62.300 0.055 0.000 0.956 298 V CB 2.135 33.952 31.823 -0.010 0.000 1.023 298 V HN 0.366 nan 8.190 nan 0.000 0.435 299 K N 2.522 123.091 120.400 0.283 0.000 2.274 299 K HA 0.791 5.099 4.320 -0.020 0.000 0.262 299 K C -0.060 176.772 176.600 0.386 0.000 0.961 299 K CA -0.366 56.085 56.287 0.274 0.000 0.833 299 K CB 1.721 34.312 32.500 0.152 0.000 1.102 299 K HN 1.223 nan 8.250 nan 0.000 0.436 300 A N 5.004 128.011 122.820 0.311 0.000 2.462 300 A HA 0.282 4.590 4.320 -0.020 0.000 0.243 300 A C -0.067 177.464 177.584 -0.088 0.000 1.076 300 A CA -0.280 51.703 52.037 -0.091 0.000 0.773 300 A CB -0.042 18.848 19.000 -0.183 0.000 1.010 300 A HN 0.801 nan 8.150 nan 0.000 0.493 301 I N 2.499 122.949 120.570 -0.201 0.000 2.306 301 I HA 0.199 4.357 4.170 -0.020 0.000 0.288 301 I C -0.206 175.812 176.117 -0.165 0.000 1.036 301 I CA 0.113 61.346 61.300 -0.110 0.000 1.221 301 I CB 1.170 39.124 38.000 -0.077 0.000 1.385 301 I HN 0.528 nan 8.210 nan 0.000 0.472 302 T N 6.650 121.142 114.554 -0.103 0.000 2.874 302 T HA 0.395 4.733 4.350 -0.020 0.000 0.321 302 T C -1.692 172.970 174.700 -0.064 0.000 1.075 302 T CA -0.953 61.094 62.100 -0.089 0.000 0.966 302 T CB 0.698 69.533 68.868 -0.056 0.000 1.001 302 T HN 0.458 nan 8.240 nan 0.000 0.476 303 P HA 0.517 nan 4.420 nan 0.000 0.280 303 P C -3.018 174.194 177.300 -0.148 0.000 1.272 303 P CA -2.008 61.034 63.100 -0.097 0.000 0.819 303 P CB 0.096 31.753 31.700 -0.072 0.000 1.122 304 P HA 0.065 nan 4.420 nan 0.000 0.267 304 P C -0.324 176.807 177.300 -0.282 0.000 1.200 304 P CA 0.416 63.309 63.100 -0.345 0.000 0.772 304 P CB -0.028 31.299 31.700 -0.623 0.000 0.855 305 T N 5.046 119.429 114.554 -0.283 0.000 2.794 305 T HA 0.267 4.605 4.350 -0.020 0.000 0.296 305 T C -2.142 172.418 174.700 -0.233 0.000 0.949 305 T CA -1.146 60.819 62.100 -0.226 0.000 1.101 305 T CB -0.061 68.665 68.868 -0.236 0.000 0.905 305 T HN 0.263 nan 8.240 nan 0.000 0.516 306 P HA 0.181 nan 4.420 nan 0.000 0.268 306 P C -0.430 176.789 177.300 -0.134 0.000 1.208 306 P CA -0.431 62.585 63.100 -0.139 0.000 0.777 306 P CB 0.302 31.944 31.700 -0.098 0.000 0.875 307 A N 2.500 125.256 122.820 -0.108 0.000 2.581 307 A HA 0.018 4.326 4.320 -0.020 0.000 0.257 307 A C 0.183 177.708 177.584 -0.098 0.000 1.022 307 A CA 0.307 52.285 52.037 -0.097 0.000 0.812 307 A CB -0.883 18.074 19.000 -0.072 0.000 0.918 307 A HN 0.367 nan 8.150 nan 0.000 0.516 308 V N 5.984 125.832 119.914 -0.111 0.000 2.408 308 V HA 0.116 4.224 4.120 -0.020 0.000 0.267 308 V C 1.570 177.622 176.094 -0.070 0.000 1.047 308 V CA -0.196 62.048 62.300 -0.093 0.000 0.937 308 V CB 0.808 32.564 31.823 -0.112 0.000 0.999 308 V HN 1.056 nan 8.190 nan 0.000 0.472 309 R N 3.571 124.038 120.500 -0.055 0.000 2.096 309 R HA -0.053 4.275 4.340 -0.020 0.000 0.235 309 R C 1.372 177.654 176.300 -0.029 0.000 1.127 309 R CA 1.375 57.445 56.100 -0.050 0.000 0.968 309 R CB -0.072 30.201 30.300 -0.046 0.000 0.861 309 R HN 0.761 nan 8.270 nan 0.000 0.440 310 A N 1.354 124.185 122.820 0.018 0.000 3.063 310 A HA 0.241 4.549 4.320 -0.020 0.000 0.263 310 A C -0.548 177.128 177.584 0.152 0.000 1.736 310 A CA 0.121 52.223 52.037 0.109 0.000 1.408 310 A CB 0.078 19.162 19.000 0.141 0.000 1.108 310 A HN 0.046 nan 8.150 nan 0.000 0.621 311 S N 0.393 116.139 115.700 0.076 0.000 2.570 311 S HA 0.536 4.995 4.470 -0.020 0.000 0.286 311 S C -1.020 173.609 174.600 0.048 0.000 1.099 311 S CA -0.566 57.690 58.200 0.094 0.000 0.913 311 S CB 1.225 64.403 63.200 -0.037 0.000 1.085 311 S HN 0.685 nan 8.310 nan 0.000 0.480 312 W N 4.106 125.390 121.300 -0.026 0.000 2.308 312 W HA 0.558 5.206 4.660 -0.020 0.000 0.311 312 W C -1.843 174.505 176.519 -0.284 0.000 1.088 312 W CA -0.521 56.739 57.345 -0.142 0.000 1.309 312 W CB 0.507 30.003 29.460 0.060 0.000 1.229 312 W HN 0.319 nan 8.180 nan 0.000 0.427 313 V N 7.699 127.156 119.914 -0.762 0.000 2.435 313 V HA 0.409 4.517 4.120 -0.020 0.000 0.290 313 V C -0.001 175.670 176.094 -0.705 0.000 1.030 313 V CA -0.265 61.551 62.300 -0.807 0.000 0.881 313 V CB 1.214 32.030 31.823 -1.678 0.000 0.983 313 V HN 0.669 nan 8.190 nan 0.000 0.445 314 H N 2.568 121.542 119.070 -0.159 0.000 2.981 314 H HA 0.900 5.445 4.556 -0.019 0.000 0.327 314 H C -1.283 174.271 175.328 0.376 0.000 1.342 314 H CA -1.295 54.767 56.048 0.024 0.000 1.123 314 H CB 2.205 32.008 29.762 0.068 0.000 1.851 314 H HN 0.431 nan 8.280 nan 0.000 0.531 315 K N 1.127 121.600 120.400 0.121 0.000 2.570 315 K HA 0.275 4.583 4.320 -0.020 0.000 0.256 315 K C -1.409 175.249 176.600 0.096 0.000 0.939 315 K CA -0.077 56.242 56.287 0.053 0.000 0.833 315 K CB 2.151 34.683 32.500 0.053 0.000 1.318 315 K HN 0.929 nan 8.250 nan 0.000 0.433 316 T N -0.148 114.496 114.554 0.151 0.000 2.934 316 T HA 0.876 5.214 4.350 -0.020 0.000 0.283 316 T C 0.237 175.034 174.700 0.161 0.000 1.005 316 T CA -0.589 61.664 62.100 0.256 0.000 1.041 316 T CB 1.668 70.621 68.868 0.142 0.000 1.042 316 T HN 0.617 nan 8.240 nan 0.000 0.505 317 G N -0.477 108.427 108.800 0.174 0.000 2.719 317 G HA2 0.742 4.691 3.960 -0.020 0.000 0.298 317 G HA3 0.742 4.691 3.960 -0.020 0.000 0.298 317 G C -1.461 173.534 174.900 0.159 0.000 1.411 317 G CA -0.655 44.547 45.100 0.171 0.000 0.991 317 G HN 1.125 nan 8.290 nan 0.000 0.509 318 A N 0.779 123.692 122.820 0.154 0.000 2.549 318 A HA 0.980 5.288 4.320 -0.020 0.000 0.297 318 A C -0.010 177.670 177.584 0.161 0.000 1.061 318 A CA -0.009 52.123 52.037 0.158 0.000 0.690 318 A CB 1.823 20.878 19.000 0.092 0.000 1.287 318 A HN 1.785 nan 8.150 nan 0.000 0.402 319 T N -1.961 112.724 114.554 0.218 0.000 2.831 319 T HA 0.629 4.967 4.350 -0.020 0.000 0.287 319 T C 1.280 176.100 174.700 0.200 0.000 1.070 319 T CA 0.113 62.327 62.100 0.189 0.000 1.010 319 T CB 1.059 70.088 68.868 0.268 0.000 1.264 319 T HN 1.499 nan 8.240 nan 0.000 0.532 320 G N -0.311 108.588 108.800 0.165 0.000 2.469 320 G HA2 0.142 4.090 3.960 -0.020 0.000 0.220 320 G HA3 0.142 4.090 3.960 -0.020 0.000 0.220 320 G C 1.122 176.118 174.900 0.160 0.000 1.136 320 G CA 0.643 45.825 45.100 0.137 0.000 0.759 320 G HN 1.207 nan 8.290 nan 0.000 0.562 321 G N -1.373 107.571 108.800 0.240 0.000 3.377 321 G HA2 0.485 4.433 3.960 -0.020 0.000 0.257 321 G HA3 0.485 4.433 3.960 -0.020 0.000 0.257 321 G C -0.455 174.426 174.900 -0.032 0.000 1.038 321 G CA -0.473 44.682 45.100 0.093 0.000 0.809 321 G HN 0.180 nan 8.290 nan 0.000 0.526 322 F N -0.379 119.705 119.950 0.223 0.000 2.588 322 F HA 0.712 5.227 4.527 -0.020 0.000 0.314 322 F C 0.323 176.264 175.800 0.235 0.000 1.069 322 F CA -1.116 57.053 58.000 0.282 0.000 0.931 322 F CB 2.514 41.702 39.000 0.314 0.000 1.260 322 F HN 0.015 nan 8.300 nan 0.000 0.465 323 G N 0.699 109.777 108.800 0.464 0.000 2.707 323 G HA2 0.562 4.511 3.960 -0.020 0.000 0.299 323 G HA3 0.562 4.511 3.960 -0.020 0.000 0.299 323 G C -1.532 173.545 174.900 0.295 0.000 1.442 323 G CA -0.732 44.532 45.100 0.273 0.000 1.009 323 G HN 0.745 nan 8.290 nan 0.000 0.515 324 S N 0.870 116.713 115.700 0.238 0.000 2.599 324 S HA 0.861 5.319 4.470 -0.020 0.000 0.294 324 S C -1.457 173.331 174.600 0.314 0.000 1.094 324 S CA -0.991 57.364 58.200 0.257 0.000 0.931 324 S CB 2.466 65.808 63.200 0.238 0.000 1.093 324 S HN 1.068 nan 8.310 nan 0.000 0.488 325 Y N 0.164 120.562 120.300 0.164 0.000 2.480 325 Y HA 0.614 5.152 4.550 -0.020 0.000 0.329 325 Y C -1.968 174.070 175.900 0.230 0.000 1.127 325 Y CA -0.836 57.373 58.100 0.182 0.000 1.037 325 Y CB 1.591 40.158 38.460 0.180 0.000 1.320 325 Y HN 0.780 nan 8.280 nan 0.000 0.446 326 V N 4.387 124.109 119.914 -0.320 0.000 2.709 326 V HA 0.982 5.090 4.120 -0.020 0.000 0.308 326 V C -0.873 174.980 176.094 -0.400 0.000 1.062 326 V CA -0.278 61.943 62.300 -0.131 0.000 0.901 326 V CB 1.529 33.511 31.823 0.266 0.000 1.003 326 V HN 1.007 nan 8.190 nan 0.000 0.425 327 A N 4.543 127.172 122.820 -0.320 0.000 2.520 327 A HA 1.026 5.335 4.320 -0.020 0.000 0.298 327 A C -1.327 175.964 177.584 -0.489 0.000 1.051 327 A CA -0.511 51.174 52.037 -0.587 0.000 0.690 327 A CB 1.803 20.316 19.000 -0.811 0.000 1.281 327 A HN 1.441 nan 8.150 nan 0.000 0.402 328 F N -0.687 118.805 119.950 -0.765 0.000 2.668 328 F HA 0.836 5.351 4.527 -0.020 0.000 0.309 328 F C -1.377 174.034 175.800 -0.649 0.000 1.117 328 F CA -1.230 56.388 58.000 -0.636 0.000 0.951 328 F CB 1.331 40.030 39.000 -0.502 0.000 1.323 328 F HN 0.319 nan 8.300 nan 0.000 0.451 329 I N 2.596 122.950 120.570 -0.360 0.000 2.466 329 I HA 0.316 4.474 4.170 -0.020 0.000 0.279 329 I C -2.120 173.872 176.117 -0.208 0.000 1.033 329 I CA -1.898 59.155 61.300 -0.412 0.000 1.123 329 I CB 1.853 39.449 38.000 -0.674 0.000 1.237 329 I HN 0.383 nan 8.210 nan 0.000 0.460 330 P HA -0.244 nan 4.420 nan 0.000 0.215 330 P C 1.440 178.674 177.300 -0.111 0.000 1.157 330 P CA 1.307 64.360 63.100 -0.078 0.000 0.874 330 P CB 0.269 31.935 31.700 -0.057 0.000 0.790 331 E N -0.353 119.783 120.200 -0.106 0.000 2.209 331 E HA -0.218 4.121 4.350 -0.020 0.000 0.196 331 E C 1.024 177.565 176.600 -0.098 0.000 0.993 331 E CA 1.076 57.429 56.400 -0.078 0.000 0.819 331 E CB -0.092 29.593 29.700 -0.026 0.000 0.745 331 E HN 0.045 nan 8.360 nan 0.000 0.477 332 K N 0.292 120.599 120.400 -0.155 0.000 2.358 332 K HA 0.086 4.394 4.320 -0.020 0.000 0.200 332 K C -0.182 176.311 176.600 -0.179 0.000 1.030 332 K CA 0.144 56.334 56.287 -0.161 0.000 1.097 332 K CB 0.601 32.976 32.500 -0.208 0.000 0.862 332 K HN 0.160 nan 8.250 nan 0.000 0.534 333 E N 0.691 120.789 120.200 -0.170 0.000 2.389 333 E HA -0.235 4.103 4.350 -0.020 0.000 0.243 333 E C -0.737 175.757 176.600 -0.176 0.000 1.154 333 E CA 0.306 56.602 56.400 -0.173 0.000 0.723 333 E CB -1.404 28.189 29.700 -0.177 0.000 1.261 333 E HN 0.040 nan 8.360 nan 0.000 0.390 334 L N -0.395 120.726 121.223 -0.171 0.000 2.381 334 L HA 0.827 5.155 4.340 -0.020 0.000 0.268 334 L C 0.106 176.897 176.870 -0.132 0.000 0.997 334 L CA 0.290 55.048 54.840 -0.136 0.000 0.818 334 L CB 2.138 44.097 42.059 -0.165 0.000 1.310 334 L HN 0.065 nan 8.230 nan 0.000 0.416 335 G N 3.752 112.505 108.800 -0.078 0.000 2.576 335 G HA2 0.591 4.539 3.960 -0.020 0.000 0.290 335 G HA3 0.591 4.539 3.960 -0.020 0.000 0.290 335 G C -2.268 172.623 174.900 -0.015 0.000 1.442 335 G CA -0.407 44.650 45.100 -0.071 0.000 0.792 335 G HN 0.806 nan 8.290 nan 0.000 0.491 336 I N -0.229 120.339 120.570 -0.003 0.000 2.827 336 I HA 0.669 4.827 4.170 -0.020 0.000 0.298 336 I C -1.389 174.792 176.117 0.106 0.000 1.235 336 I CA -1.001 60.343 61.300 0.074 0.000 1.021 336 I CB 2.311 40.371 38.000 0.101 0.000 1.259 336 I HN 0.409 nan 8.210 nan 0.000 0.427 337 V N 7.142 127.154 119.914 0.163 0.000 2.588 337 V HA 0.533 4.641 4.120 -0.020 0.000 0.304 337 V C -0.510 175.712 176.094 0.213 0.000 1.042 337 V CA -0.444 61.970 62.300 0.189 0.000 0.877 337 V CB 1.857 33.803 31.823 0.204 0.000 0.996 337 V HN 0.643 nan 8.190 nan 0.000 0.425 338 M N 6.060 125.798 119.600 0.230 0.000 2.142 338 M HA 0.600 5.068 4.480 -0.020 0.000 0.299 338 M C -1.341 175.053 176.300 0.156 0.000 0.960 338 M CA -0.140 55.294 55.300 0.223 0.000 0.920 338 M CB 1.840 34.622 32.600 0.304 0.000 1.541 338 M HN 0.389 nan 8.290 nan 0.000 0.429 339 L N 2.915 124.125 121.223 -0.022 0.000 2.333 339 L HA 0.983 5.311 4.340 -0.020 0.000 0.280 339 L C -0.404 176.280 176.870 -0.309 0.000 1.004 339 L CA -0.700 53.969 54.840 -0.284 0.000 0.820 339 L CB 1.791 43.331 42.059 -0.865 0.000 1.247 339 L HN 0.791 nan 8.230 nan 0.000 0.416 340 A N 1.960 124.863 122.820 0.138 0.000 2.475 340 A HA 0.596 4.904 4.320 -0.020 0.000 0.301 340 A C -0.504 177.436 177.584 0.594 0.000 1.059 340 A CA -0.758 51.508 52.037 0.380 0.000 0.710 340 A CB 1.341 20.564 19.000 0.371 0.000 1.288 340 A HN 0.750 nan 8.150 nan 0.000 0.408 341 N N 1.169 120.163 118.700 0.490 0.000 2.758 341 N HA 0.195 4.923 4.740 -0.020 0.000 0.293 341 N C -0.499 175.021 175.510 0.016 0.000 1.273 341 N CA -0.106 52.951 53.050 0.013 0.000 1.022 341 N CB 0.261 38.707 38.487 -0.068 0.000 1.334 341 N HN 0.600 nan 8.380 nan 0.000 0.519 342 K N 0.199 120.697 120.400 0.164 0.000 2.543 342 K HA 0.212 4.520 4.320 -0.020 0.000 0.255 342 K C -1.706 175.082 176.600 0.314 0.000 0.934 342 K CA -0.669 55.735 56.287 0.195 0.000 0.810 342 K CB 1.271 33.880 32.500 0.182 0.000 1.315 342 K HN 0.006 nan 8.250 nan 0.000 0.433 343 N N 3.856 122.698 118.700 0.237 0.000 2.602 343 N HA 0.119 4.847 4.740 -0.020 0.000 0.238 343 N C -1.366 174.255 175.510 0.185 0.000 1.084 343 N CA -0.180 52.988 53.050 0.196 0.000 0.952 343 N CB -0.089 38.485 38.487 0.145 0.000 1.244 343 N HN 0.442 nan 8.380 nan 0.000 0.512 344 Y N 1.471 121.816 120.300 0.075 0.000 2.488 344 Y HA 0.755 5.293 4.550 -0.020 0.000 0.325 344 Y C -2.503 173.417 175.900 0.033 0.000 1.204 344 Y CA -3.421 54.706 58.100 0.046 0.000 1.229 344 Y CB -0.473 38.010 38.460 0.038 0.000 1.274 344 Y HN 0.273 nan 8.280 nan 0.000 0.493 345 P HA -0.022 nan 4.420 nan 0.000 0.260 345 P C 0.035 177.219 177.300 -0.193 0.000 1.172 345 P CA 0.463 63.522 63.100 -0.069 0.000 0.760 345 P CB 0.652 32.363 31.700 0.018 0.000 0.773 346 N N 4.761 123.348 118.700 -0.187 0.000 2.149 346 N HA -0.135 4.593 4.740 -0.020 0.000 0.188 346 N C -0.845 174.561 175.510 -0.173 0.000 1.019 346 N CA 1.739 54.662 53.050 -0.212 0.000 0.857 346 N CB -1.790 36.609 38.487 -0.146 0.000 0.997 346 N HN 0.462 nan 8.380 nan 0.000 0.426 347 P HA -0.044 nan 4.420 nan 0.000 0.218 347 P C 0.966 178.238 177.300 -0.047 0.000 1.148 347 P CA 1.372 64.427 63.100 -0.074 0.000 0.822 347 P CB -0.018 31.652 31.700 -0.050 0.000 0.784 348 A N -0.258 122.561 122.820 -0.002 0.000 1.968 348 A HA -0.168 4.141 4.320 -0.020 0.000 0.217 348 A C 2.169 179.818 177.584 0.108 0.000 1.169 348 A CA 1.153 53.242 52.037 0.086 0.000 0.638 348 A CB -0.802 18.318 19.000 0.199 0.000 0.812 348 A HN 0.096 nan 8.150 nan 0.000 0.446 349 R N -0.639 119.860 120.500 -0.001 0.000 2.062 349 R HA -0.059 4.269 4.340 -0.020 0.000 0.231 349 R C 2.005 178.199 176.300 -0.177 0.000 1.136 349 R CA 1.462 57.521 56.100 -0.068 0.000 0.948 349 R CB -0.706 29.389 30.300 -0.341 0.000 0.845 349 R HN 0.346 nan 8.270 nan 0.000 0.430 350 V N 1.915 121.647 119.914 -0.303 0.000 2.343 350 V HA -0.249 3.859 4.120 -0.020 0.000 0.247 350 V C 2.180 178.343 176.094 0.116 0.000 1.051 350 V CA 1.984 64.200 62.300 -0.140 0.000 1.036 350 V CB -0.527 31.239 31.823 -0.094 0.000 0.654 350 V HN 0.361 nan 8.190 nan 0.000 0.451 351 D N 0.259 120.697 120.400 0.063 0.000 2.117 351 D HA -0.153 4.475 4.640 -0.020 0.000 0.197 351 D C 2.155 178.584 176.300 0.214 0.000 0.987 351 D CA 1.696 55.767 54.000 0.118 0.000 0.829 351 D CB 0.138 40.968 40.800 0.051 0.000 0.961 351 D HN 0.398 nan 8.370 nan 0.000 0.460 352 A N 0.937 123.861 122.820 0.174 0.000 1.873 352 A HA 0.053 4.361 4.320 -0.020 0.000 0.215 352 A C 2.454 180.187 177.584 0.247 0.000 1.186 352 A CA 2.221 54.363 52.037 0.174 0.000 0.616 352 A CB -0.891 18.183 19.000 0.124 0.000 0.823 352 A HN 0.304 nan 8.150 nan 0.000 0.442 353 A N -1.550 121.473 122.820 0.339 0.000 1.908 353 A HA -0.210 4.098 4.320 -0.020 0.000 0.218 353 A C 2.017 179.918 177.584 0.527 0.000 1.181 353 A CA 1.634 53.952 52.037 0.467 0.000 0.627 353 A CB -0.951 18.503 19.000 0.757 0.000 0.818 353 A HN 0.829 nan 8.150 nan 0.000 0.445 354 W N 0.508 122.050 121.300 0.404 0.000 2.358 354 W HA -0.173 4.475 4.660 -0.020 0.000 0.303 354 W C 2.405 179.067 176.519 0.240 0.000 1.208 354 W CA 1.889 59.432 57.345 0.330 0.000 1.274 354 W CB -0.045 29.458 29.460 0.072 0.000 1.138 354 W HN 0.326 nan 8.180 nan 0.000 0.515 355 Q N 0.218 120.269 119.800 0.418 0.000 2.096 355 Q HA -0.218 4.111 4.340 -0.020 0.000 0.204 355 Q C 2.203 178.239 176.000 0.061 0.000 0.982 355 Q CA 2.200 58.149 55.803 0.243 0.000 0.850 355 Q CB -0.852 28.021 28.738 0.226 0.000 0.901 355 Q HN 0.479 nan 8.270 nan 0.000 0.422 356 I N 0.219 120.840 120.570 0.084 0.000 2.233 356 I HA -0.251 3.908 4.170 -0.020 0.000 0.243 356 I C 2.294 178.406 176.117 -0.008 0.000 1.093 356 I CA 0.795 62.111 61.300 0.028 0.000 1.380 356 I CB -0.250 37.775 38.000 0.042 0.000 1.067 356 I HN 0.112 nan 8.210 nan 0.000 0.413 357 L N 0.245 121.472 121.223 0.008 0.000 2.093 357 L HA -0.207 4.122 4.340 -0.020 0.000 0.208 357 L C 2.368 179.166 176.870 -0.120 0.000 1.085 357 L CA 1.359 56.174 54.840 -0.041 0.000 0.755 357 L CB -0.870 41.171 42.059 -0.029 0.000 0.904 357 L HN 0.430 nan 8.230 nan 0.000 0.435 358 N N 0.542 119.059 118.700 -0.305 0.000 2.166 358 N HA -0.183 4.545 4.740 -0.020 0.000 0.186 358 N C 1.821 177.241 175.510 -0.151 0.000 1.019 358 N CA 1.274 54.099 53.050 -0.375 0.000 0.856 358 N CB 0.173 38.020 38.487 -1.067 0.000 0.993 358 N HN 0.308 nan 8.380 nan 0.000 0.426 359 A N 0.903 123.655 122.820 -0.113 0.000 2.015 359 A HA -0.006 4.302 4.320 -0.020 0.000 0.219 359 A C 1.975 179.554 177.584 -0.008 0.000 1.163 359 A CA 0.700 52.713 52.037 -0.040 0.000 0.646 359 A CB -0.257 18.726 19.000 -0.029 0.000 0.806 359 A HN 0.324 nan 8.150 nan 0.000 0.448 360 L N -0.596 120.630 121.223 0.006 0.000 2.592 360 L HA 0.063 4.391 4.340 -0.020 0.000 0.227 360 L C 1.104 178.055 176.870 0.136 0.000 1.127 360 L CA -0.338 54.551 54.840 0.082 0.000 0.884 360 L CB -0.401 41.726 42.059 0.113 0.000 1.065 360 L HN 0.451 nan 8.230 nan 0.000 0.457 361 Q N 0.000 119.843 119.800 0.072 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 0.086 0.000 1.022 361 Q CB 0.000 28.818 28.738 0.133 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481