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 1c3b_1_A DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.487 177.584 -0.162 0.000 1.274 4 A CA 0.000 51.958 52.037 -0.131 0.000 0.836 4 A CB 0.000 18.855 19.000 -0.241 0.000 0.831 5 P HA 0.103 nan 4.420 nan 0.000 0.263 5 P C 0.703 177.914 177.300 -0.147 0.000 1.175 5 P CA 0.134 63.111 63.100 -0.204 0.000 0.761 5 P CB 0.489 32.007 31.700 -0.303 0.000 0.794 6 Q N 1.383 121.133 119.800 -0.083 0.000 2.234 6 Q HA -0.280 4.047 4.340 -0.021 0.000 0.206 6 Q C 1.906 177.870 176.000 -0.059 0.000 0.980 6 Q CA 1.478 57.254 55.803 -0.044 0.000 0.869 6 Q CB 0.064 28.785 28.738 -0.028 0.000 0.912 6 Q HN 0.566 nan 8.270 nan 0.000 0.436 7 Q N 0.409 120.145 119.800 -0.106 0.000 2.002 7 Q HA -0.206 4.121 4.340 -0.021 0.000 0.204 7 Q C 2.025 177.939 176.000 -0.144 0.000 0.988 7 Q CA 1.539 57.270 55.803 -0.119 0.000 0.843 7 Q CB -0.177 28.467 28.738 -0.157 0.000 0.908 7 Q HN 0.445 nan 8.270 nan 0.000 0.420 8 I N 1.550 121.979 120.570 -0.235 0.000 2.142 8 I HA -0.317 3.840 4.170 -0.021 0.000 0.240 8 I C 2.675 178.733 176.117 -0.099 0.000 1.078 8 I CA 1.385 62.549 61.300 -0.226 0.000 1.343 8 I CB -0.753 37.027 38.000 -0.366 0.000 1.046 8 I HN 0.469 nan 8.210 nan 0.000 0.405 9 N N 1.106 119.822 118.700 0.027 0.000 2.104 9 N HA -0.240 4.487 4.740 -0.021 0.000 0.190 9 N C 1.379 176.980 175.510 0.153 0.000 1.024 9 N CA 2.122 55.295 53.050 0.205 0.000 0.853 9 N CB -0.135 38.495 38.487 0.239 0.000 1.008 9 N HN 0.278 nan 8.380 nan 0.000 0.424 10 D N 1.221 121.659 120.400 0.063 0.000 2.084 10 D HA -0.088 4.539 4.640 -0.021 0.000 0.196 10 D C 1.976 178.297 176.300 0.034 0.000 0.985 10 D CA 0.486 54.521 54.000 0.059 0.000 0.826 10 D CB -0.423 40.388 40.800 0.018 0.000 0.978 10 D HN 0.365 nan 8.370 nan 0.000 0.456 11 I N 0.496 121.052 120.570 -0.023 0.000 2.127 11 I HA -0.286 3.871 4.170 -0.021 0.000 0.241 11 I C 2.014 178.092 176.117 -0.065 0.000 1.075 11 I CA 1.081 62.358 61.300 -0.039 0.000 1.334 11 I CB -0.039 37.923 38.000 -0.063 0.000 1.040 11 I HN -0.142 nan 8.210 nan 0.000 0.405 12 V N 0.931 120.746 119.914 -0.166 0.000 2.252 12 V HA -0.377 3.731 4.120 -0.021 0.000 0.249 12 V C 2.343 178.339 176.094 -0.163 0.000 1.056 12 V CA 2.636 64.759 62.300 -0.296 0.000 1.022 12 V CB -1.188 30.123 31.823 -0.854 0.000 0.641 12 V HN 0.523 nan 8.190 nan 0.000 0.445 13 H N -0.744 118.330 119.070 0.007 0.000 2.389 13 H HA -0.055 4.488 4.556 -0.022 0.000 0.299 13 H C 2.522 177.879 175.328 0.048 0.000 1.081 13 H CA 1.492 57.617 56.048 0.129 0.000 1.345 13 H CB -0.066 29.799 29.762 0.171 0.000 1.393 13 H HN 0.235 nan 8.280 nan 0.000 0.520 14 R N -0.536 120.040 120.500 0.126 0.000 2.120 14 R HA -0.093 4.234 4.340 -0.021 0.000 0.234 14 R C 1.685 177.999 176.300 0.023 0.000 1.123 14 R CA 1.831 57.971 56.100 0.067 0.000 0.975 14 R CB 0.061 30.388 30.300 0.046 0.000 0.866 14 R HN 0.313 nan 8.270 nan 0.000 0.446 15 T N 0.541 115.091 114.554 -0.006 0.000 2.866 15 T HA 0.069 4.406 4.350 -0.021 0.000 0.250 15 T C 1.736 176.387 174.700 -0.082 0.000 1.033 15 T CA 0.499 62.584 62.100 -0.025 0.000 1.145 15 T CB 0.135 68.995 68.868 -0.014 0.000 0.866 15 T HN 0.020 nan 8.240 nan 0.000 0.434 16 I N 1.824 122.297 120.570 -0.161 0.000 2.353 16 I HA -0.071 4.086 4.170 -0.021 0.000 0.248 16 I C 2.585 178.460 176.117 -0.403 0.000 1.119 16 I CA 1.197 62.291 61.300 -0.343 0.000 1.417 16 I CB -1.833 35.790 38.000 -0.629 0.000 1.078 16 I HN 0.233 nan 8.210 nan 0.000 0.421 17 T N 2.989 117.388 114.554 -0.259 0.000 2.607 17 T HA -0.102 4.235 4.350 -0.021 0.000 0.267 17 T C -0.266 174.350 174.700 -0.139 0.000 1.049 17 T CA 2.191 64.190 62.100 -0.169 0.000 1.162 17 T CB -1.351 67.547 68.868 0.049 0.000 0.863 17 T HN 0.270 nan 8.240 nan 0.000 0.424 18 P HA -0.011 nan 4.420 nan 0.000 0.220 18 P C 1.703 178.944 177.300 -0.099 0.000 1.148 18 P CA 0.687 63.747 63.100 -0.066 0.000 0.803 18 P CB -0.197 31.483 31.700 -0.033 0.000 0.782 19 L N 0.061 121.200 121.223 -0.139 0.000 1.994 19 L HA -0.122 4.205 4.340 -0.021 0.000 0.208 19 L C 2.454 179.185 176.870 -0.232 0.000 1.071 19 L CA 1.749 56.488 54.840 -0.168 0.000 0.745 19 L CB -1.496 40.452 42.059 -0.184 0.000 0.892 19 L HN -0.210 nan 8.230 nan 0.000 0.431 20 I N -0.309 120.091 120.570 -0.284 0.000 2.208 20 I HA -0.320 3.837 4.170 -0.021 0.000 0.245 20 I C 2.517 178.535 176.117 -0.165 0.000 1.097 20 I CA 1.645 62.784 61.300 -0.267 0.000 1.363 20 I CB -0.297 37.524 38.000 -0.298 0.000 1.051 20 I HN 0.407 nan 8.210 nan 0.000 0.413 21 E N 0.138 120.262 120.200 -0.126 0.000 2.031 21 E HA -0.243 4.094 4.350 -0.021 0.000 0.193 21 E C 2.296 178.856 176.600 -0.066 0.000 0.994 21 E CA 1.143 57.500 56.400 -0.071 0.000 0.800 21 E CB 0.001 29.673 29.700 -0.047 0.000 0.752 21 E HN 0.372 nan 8.360 nan 0.000 0.447 22 Q N -0.121 119.635 119.800 -0.073 0.000 2.030 22 Q HA -0.199 4.128 4.340 -0.021 0.000 0.204 22 Q C 2.062 178.028 176.000 -0.058 0.000 0.986 22 Q CA 1.305 57.076 55.803 -0.054 0.000 0.843 22 Q CB -0.027 28.682 28.738 -0.048 0.000 0.904 22 Q HN 0.330 nan 8.270 nan 0.000 0.420 23 Q N 0.158 119.896 119.800 -0.105 0.000 2.451 23 Q HA 0.019 4.346 4.340 -0.021 0.000 0.206 23 Q C -0.020 175.929 176.000 -0.086 0.000 0.947 23 Q CA 0.213 55.953 55.803 -0.106 0.000 0.937 23 Q CB 0.246 28.833 28.738 -0.253 0.000 1.025 23 Q HN 0.318 nan 8.270 nan 0.000 0.511 24 K N 0.642 120.991 120.400 -0.085 0.000 3.125 24 K HA -0.157 4.150 4.320 -0.021 0.000 0.268 24 K C -0.643 175.922 176.600 -0.058 0.000 1.078 24 K CA 0.166 56.418 56.287 -0.058 0.000 0.775 24 K CB -1.779 30.701 32.500 -0.033 0.000 1.253 24 K HN 0.262 nan 8.250 nan 0.000 0.486 25 I N 1.122 121.635 120.570 -0.096 0.000 2.379 25 I HA 0.020 4.177 4.170 -0.021 0.000 0.290 25 I C -0.951 175.170 176.117 0.006 0.000 1.063 25 I CA -2.067 59.194 61.300 -0.066 0.000 1.351 25 I CB 0.743 38.639 38.000 -0.173 0.000 1.410 25 I HN -0.000 nan 8.210 nan 0.000 0.505 26 P HA -0.048 nan 4.420 nan 0.000 0.217 26 P C 0.489 177.908 177.300 0.199 0.000 1.150 26 P CA 0.652 63.785 63.100 0.055 0.000 0.832 26 P CB 0.290 31.920 31.700 -0.116 0.000 0.787 27 G N -1.658 107.291 108.800 0.249 0.000 2.720 27 G HA2 0.670 4.617 3.960 -0.021 0.000 0.295 27 G HA3 0.670 4.617 3.960 -0.021 0.000 0.295 27 G C -1.974 173.170 174.900 0.407 0.000 1.437 27 G CA -0.402 44.902 45.100 0.340 0.000 0.886 27 G HN 0.070 nan 8.290 nan 0.000 0.509 28 M N 0.782 120.659 119.600 0.462 0.000 2.471 28 M HA 0.722 5.189 4.480 -0.021 0.000 0.284 28 M C -1.594 175.024 176.300 0.530 0.000 1.203 28 M CA -0.591 54.959 55.300 0.416 0.000 0.915 28 M CB 2.271 35.005 32.600 0.224 0.000 1.734 28 M HN 1.166 nan 8.290 nan 0.000 0.485 29 A N 3.035 126.039 122.820 0.307 0.000 2.371 29 A HA 0.869 5.176 4.320 -0.021 0.000 0.311 29 A C -1.748 176.032 177.584 0.327 0.000 1.068 29 A CA -0.600 51.632 52.037 0.325 0.000 0.744 29 A CB 1.685 20.812 19.000 0.212 0.000 1.239 29 A HN 0.631 nan 8.150 nan 0.000 0.435 30 V N 0.698 120.897 119.914 0.476 0.000 2.876 30 V HA 0.860 4.967 4.120 -0.021 0.000 0.312 30 V C 0.004 176.390 176.094 0.487 0.000 1.085 30 V CA -0.173 62.397 62.300 0.450 0.000 0.945 30 V CB 1.961 34.102 31.823 0.530 0.000 1.017 30 V HN 1.516 nan 8.190 nan 0.000 0.428 31 A N 3.306 126.350 122.820 0.374 0.000 2.422 31 A HA 0.890 5.197 4.320 -0.021 0.000 0.302 31 A C -1.332 176.385 177.584 0.221 0.000 1.041 31 A CA -0.537 51.679 52.037 0.299 0.000 0.708 31 A CB 1.939 21.084 19.000 0.242 0.000 1.257 31 A HN 0.689 nan 8.150 nan 0.000 0.414 32 V N 2.997 123.053 119.914 0.237 0.000 2.448 32 V HA 0.396 4.503 4.120 -0.021 0.000 0.295 32 V C -0.766 175.433 176.094 0.177 0.000 1.025 32 V CA -0.298 62.125 62.300 0.205 0.000 0.859 32 V CB 1.367 33.333 31.823 0.238 0.000 0.988 32 V HN 0.714 nan 8.190 nan 0.000 0.431 33 I N 5.469 126.097 120.570 0.097 0.000 2.297 33 I HA 0.326 4.484 4.170 -0.021 0.000 0.291 33 I C -0.628 175.571 176.117 0.137 0.000 1.033 33 I CA -0.093 61.233 61.300 0.044 0.000 1.253 33 I CB 0.556 38.519 38.000 -0.062 0.000 1.396 33 I HN 0.601 nan 8.210 nan 0.000 0.476 34 Y N 5.480 125.839 120.300 0.099 0.000 2.328 34 Y HA 0.331 4.868 4.550 -0.021 0.000 0.336 34 Y C 0.535 176.481 175.900 0.075 0.000 0.960 34 Y CA -0.617 57.550 58.100 0.112 0.000 1.134 34 Y CB 0.861 39.449 38.460 0.214 0.000 1.166 34 Y HN 0.617 nan 8.280 nan 0.000 0.464 35 Q N 4.700 124.292 119.800 -0.348 0.000 2.434 35 Q HA -0.298 4.029 4.340 -0.021 0.000 0.299 35 Q C 1.133 177.067 176.000 -0.111 0.000 1.286 35 Q CA 1.176 56.822 55.803 -0.262 0.000 0.872 35 Q CB -1.377 27.205 28.738 -0.259 0.000 1.193 35 Q HN 1.307 nan 8.270 nan 0.000 0.466 36 G N -0.218 108.516 108.800 -0.109 0.000 2.347 36 G HA2 -0.401 3.546 3.960 -0.021 0.000 0.247 36 G HA3 -0.401 3.546 3.960 -0.021 0.000 0.247 36 G C 0.154 174.990 174.900 -0.106 0.000 1.037 36 G CA 0.647 45.684 45.100 -0.105 0.000 0.622 36 G HN 0.399 nan 8.290 nan 0.000 0.521 37 K N 2.155 122.500 120.400 -0.091 0.000 2.174 37 K HA 0.557 4.864 4.320 -0.021 0.000 0.275 37 K C -2.432 173.924 176.600 -0.407 0.000 1.015 37 K CA -1.828 54.320 56.287 -0.232 0.000 0.933 37 K CB 1.869 34.225 32.500 -0.240 0.000 1.025 37 K HN 0.168 nan 8.250 nan 0.000 0.463 38 P HA 0.240 nan 4.420 nan 0.000 0.290 38 P C -1.638 175.014 177.300 -1.080 0.000 1.283 38 P CA -0.448 62.271 63.100 -0.636 0.000 0.869 38 P CB 0.742 32.135 31.700 -0.511 0.000 1.100 39 Y N 0.368 120.371 120.300 -0.495 0.000 2.386 39 Y HA 0.428 4.965 4.550 -0.022 0.000 0.334 39 Y C -0.186 175.395 175.900 -0.532 0.000 1.002 39 Y CA -0.456 57.377 58.100 -0.445 0.000 1.068 39 Y CB 1.711 40.129 38.460 -0.071 0.000 1.203 39 Y HN 0.272 nan 8.280 nan 0.000 0.443 40 Y N 2.628 122.791 120.300 -0.228 0.000 2.420 40 Y HA 0.711 5.248 4.550 -0.021 0.000 0.334 40 Y C -0.877 174.572 175.900 -0.752 0.000 1.094 40 Y CA -1.142 56.806 58.100 -0.255 0.000 1.126 40 Y CB 1.431 39.803 38.460 -0.146 0.000 1.217 40 Y HN 0.393 nan 8.280 nan 0.000 0.462 41 F N 0.297 120.297 119.950 0.084 0.000 2.581 41 F HA 0.602 5.116 4.527 -0.022 0.000 0.311 41 F C -0.444 175.121 175.800 -0.391 0.000 1.113 41 F CA -0.906 56.916 58.000 -0.298 0.000 0.935 41 F CB 2.488 41.268 39.000 -0.367 0.000 1.232 41 F HN 0.405 nan 8.300 nan 0.000 0.445 42 T N -1.371 112.875 114.554 -0.514 0.000 2.909 42 T HA 0.668 5.005 4.350 -0.021 0.000 0.299 42 T C -1.536 172.972 174.700 -0.319 0.000 1.073 42 T CA -0.799 61.193 62.100 -0.180 0.000 0.999 42 T CB 1.925 70.788 68.868 -0.007 0.000 1.098 42 T HN 0.621 nan 8.240 nan 0.000 0.477 43 W N 0.137 121.515 121.300 0.129 0.000 3.167 43 W HA 0.511 5.158 4.660 -0.022 0.000 0.324 43 W C 0.799 177.348 176.519 0.051 0.000 1.230 43 W CA -0.284 57.114 57.345 0.087 0.000 1.184 43 W CB 1.703 31.221 29.460 0.097 0.000 1.414 43 W HN 1.381 nan 8.180 nan 0.000 0.551 44 G N 1.101 110.026 108.800 0.209 0.000 2.601 44 G HA2 -0.304 3.644 3.960 -0.021 0.000 0.261 44 G HA3 -0.304 3.644 3.960 -0.021 0.000 0.261 44 G C -1.527 173.221 174.900 -0.253 0.000 1.289 44 G CA -0.196 44.925 45.100 0.036 0.000 0.920 44 G HN 0.511 nan 8.290 nan 0.000 0.571 45 Y N -0.038 120.355 120.300 0.155 0.000 2.387 45 Y HA 0.597 5.135 4.550 -0.020 0.000 0.336 45 Y C 1.346 177.364 175.900 0.196 0.000 1.067 45 Y CA -0.072 58.115 58.100 0.145 0.000 1.114 45 Y CB 1.920 40.432 38.460 0.085 0.000 1.208 45 Y HN 0.800 nan 8.280 nan 0.000 0.458 46 A N 0.701 123.697 122.820 0.293 0.000 2.030 46 A HA 0.032 4.340 4.320 -0.021 0.000 0.215 46 A C 0.112 177.939 177.584 0.404 0.000 1.164 46 A CA 1.029 53.220 52.037 0.257 0.000 0.697 46 A CB 0.145 19.212 19.000 0.111 0.000 0.827 46 A HN 0.660 nan 8.150 nan 0.000 0.457 47 D N -0.892 119.767 120.400 0.432 0.000 2.323 47 D HA 0.333 4.960 4.640 -0.021 0.000 0.242 47 D C 0.550 177.059 176.300 0.347 0.000 1.347 47 D CA -0.424 53.874 54.000 0.497 0.000 0.988 47 D CB 0.403 41.471 40.800 0.445 0.000 1.314 47 D HN 0.124 nan 8.370 nan 0.000 0.564 48 I N 1.897 122.600 120.570 0.222 0.000 2.264 48 I HA -0.255 3.902 4.170 -0.021 0.000 0.248 48 I C 2.385 178.448 176.117 -0.090 0.000 1.111 48 I CA 1.307 62.549 61.300 -0.096 0.000 1.382 48 I CB -0.003 37.809 38.000 -0.314 0.000 1.060 48 I HN 0.418 nan 8.210 nan 0.000 0.418 49 A N 0.893 123.721 122.820 0.013 0.000 1.858 49 A HA -0.195 4.112 4.320 -0.021 0.000 0.216 49 A C 2.130 179.726 177.584 0.020 0.000 1.190 49 A CA 1.559 53.590 52.037 -0.010 0.000 0.617 49 A CB -0.377 18.613 19.000 -0.016 0.000 0.827 49 A HN 0.340 nan 8.150 nan 0.000 0.443 50 K N -0.757 119.696 120.400 0.088 0.000 2.437 50 K HA 0.151 4.458 4.320 -0.021 0.000 0.198 50 K C -0.378 176.302 176.600 0.134 0.000 1.024 50 K CA 0.091 56.439 56.287 0.102 0.000 1.148 50 K CB 0.167 32.744 32.500 0.129 0.000 0.860 50 K HN 0.380 nan 8.250 nan 0.000 0.515 51 K N 1.299 121.785 120.400 0.143 0.000 3.012 51 K HA -0.191 4.116 4.320 -0.021 0.000 0.259 51 K C -0.616 176.224 176.600 0.400 0.000 0.989 51 K CA 0.614 57.077 56.287 0.293 0.000 0.728 51 K CB -0.961 31.661 32.500 0.203 0.000 1.260 51 K HN 0.174 nan 8.250 nan 0.000 0.480 52 Q N 0.440 120.435 119.800 0.324 0.000 2.304 52 Q HA 0.181 4.508 4.340 -0.021 0.000 0.260 52 Q C -2.053 174.044 176.000 0.162 0.000 0.965 52 Q CA -1.733 54.194 55.803 0.206 0.000 0.898 52 Q CB 0.718 29.561 28.738 0.175 0.000 1.196 52 Q HN 0.148 nan 8.270 nan 0.000 0.402 53 P HA 0.169 nan 4.420 nan 0.000 0.279 53 P C -0.342 176.950 177.300 -0.013 0.000 1.252 53 P CA -0.485 62.546 63.100 -0.114 0.000 0.811 53 P CB 1.007 32.633 31.700 -0.123 0.000 1.035 54 V N 1.934 121.854 119.914 0.011 0.000 2.614 54 V HA 0.319 4.427 4.120 -0.021 0.000 0.291 54 V C 1.135 177.274 176.094 0.074 0.000 1.049 54 V CA 0.664 63.033 62.300 0.114 0.000 1.038 54 V CB 0.639 32.628 31.823 0.278 0.000 0.980 54 V HN 0.921 nan 8.190 nan 0.000 0.481 55 T N 1.357 115.954 114.554 0.072 0.000 2.716 55 T HA 0.342 4.679 4.350 -0.021 0.000 0.286 55 T C 0.312 175.023 174.700 0.018 0.000 1.052 55 T CA -0.703 61.406 62.100 0.014 0.000 1.024 55 T CB 1.614 70.466 68.868 -0.027 0.000 1.349 55 T HN 0.378 nan 8.240 nan 0.000 0.525 56 Q N -0.402 119.351 119.800 -0.079 0.000 2.515 56 Q HA 0.055 4.382 4.340 -0.021 0.000 0.212 56 Q C 1.141 177.053 176.000 -0.146 0.000 0.970 56 Q CA 0.833 56.536 55.803 -0.168 0.000 0.941 56 Q CB -0.036 28.497 28.738 -0.342 0.000 0.998 56 Q HN 0.500 nan 8.270 nan 0.000 0.518 57 Q N -1.199 118.539 119.800 -0.102 0.000 2.246 57 Q HA 0.106 4.433 4.340 -0.021 0.000 0.222 57 Q C -0.206 175.761 176.000 -0.056 0.000 0.851 57 Q CA 0.219 55.944 55.803 -0.130 0.000 0.945 57 Q CB 1.182 29.831 28.738 -0.147 0.000 1.122 57 Q HN 0.065 nan 8.270 nan 0.000 0.508 58 T N 1.091 115.641 114.554 -0.007 0.000 2.916 58 T HA 0.208 4.545 4.350 -0.021 0.000 0.303 58 T C -0.039 174.632 174.700 -0.048 0.000 1.025 58 T CA 0.103 62.171 62.100 -0.054 0.000 1.142 58 T CB 0.318 69.125 68.868 -0.102 0.000 0.947 58 T HN 0.129 nan 8.240 nan 0.000 0.544 59 L N 3.609 124.757 121.223 -0.124 0.000 2.312 59 L HA 0.550 4.878 4.340 -0.021 0.000 0.281 59 L C -0.620 176.136 176.870 -0.189 0.000 1.070 59 L CA -0.500 54.280 54.840 -0.101 0.000 0.805 59 L CB 0.598 42.529 42.059 -0.214 0.000 1.174 59 L HN 0.564 nan 8.230 nan 0.000 0.434 60 F N 0.620 120.537 119.950 -0.055 0.000 2.563 60 F HA 0.360 4.875 4.527 -0.020 0.000 0.316 60 F C 0.253 175.771 175.800 -0.471 0.000 1.076 60 F CA -0.820 57.091 58.000 -0.150 0.000 0.921 60 F CB 1.698 40.767 39.000 0.116 0.000 1.209 60 F HN 0.367 nan 8.300 nan 0.000 0.462 61 E N 2.487 122.144 120.200 -0.906 0.000 2.290 61 E HA 0.180 4.517 4.350 -0.021 0.000 0.277 61 E C 0.537 177.046 176.600 -0.151 0.000 1.035 61 E CA -0.064 56.021 56.400 -0.525 0.000 0.873 61 E CB 0.857 30.196 29.700 -0.602 0.000 1.029 61 E HN 0.618 nan 8.360 nan 0.000 0.419 62 L N 2.971 124.184 121.223 -0.016 0.000 2.395 62 L HA 0.039 4.366 4.340 -0.021 0.000 0.218 62 L C 1.408 178.370 176.870 0.154 0.000 1.130 62 L CA 0.589 55.488 54.840 0.097 0.000 0.826 62 L CB -0.859 41.265 42.059 0.108 0.000 0.941 62 L HN 0.910 nan 8.230 nan 0.000 0.451 63 G N 0.238 109.137 108.800 0.164 0.000 2.566 63 G HA2 -0.378 3.569 3.960 -0.021 0.000 0.280 63 G HA3 -0.378 3.569 3.960 -0.021 0.000 0.280 63 G C 0.762 175.811 174.900 0.247 0.000 1.225 63 G CA 0.289 45.524 45.100 0.225 0.000 0.966 63 G HN 0.190 nan 8.290 nan 0.000 0.560 64 S N -0.184 115.662 115.700 0.244 0.000 2.537 64 S HA 0.041 4.498 4.470 -0.021 0.000 0.240 64 S C 2.346 177.072 174.600 0.210 0.000 0.981 64 S CA 1.212 59.569 58.200 0.261 0.000 0.948 64 S CB -0.113 63.284 63.200 0.329 0.000 0.759 64 S HN 0.755 nan 8.310 nan 0.000 0.531 65 V N 1.632 121.656 119.914 0.184 0.000 2.867 65 V HA -0.136 3.971 4.120 -0.021 0.000 0.260 65 V C 2.092 178.285 176.094 0.164 0.000 1.099 65 V CA 1.469 63.854 62.300 0.142 0.000 1.122 65 V CB -0.760 31.169 31.823 0.176 0.000 0.708 65 V HN 0.466 nan 8.190 nan 0.000 0.490 66 S N -0.149 115.683 115.700 0.220 0.000 2.419 66 S HA -0.202 4.255 4.470 -0.021 0.000 0.233 66 S C 1.866 176.612 174.600 0.243 0.000 1.016 66 S CA 1.140 59.508 58.200 0.281 0.000 0.974 66 S CB -0.255 63.048 63.200 0.171 0.000 0.786 66 S HN 0.654 nan 8.310 nan 0.000 0.492 67 K N 1.107 121.604 120.400 0.162 0.000 2.280 67 K HA -0.094 4.213 4.320 -0.021 0.000 0.202 67 K C 2.391 179.011 176.600 0.033 0.000 1.047 67 K CA 1.571 57.936 56.287 0.130 0.000 0.942 67 K CB -0.501 32.098 32.500 0.165 0.000 0.739 67 K HN 0.620 nan 8.250 nan 0.000 0.457 68 T N -1.251 113.226 114.554 -0.128 0.000 2.857 68 T HA -0.074 4.263 4.350 -0.021 0.000 0.266 68 T C 1.785 176.447 174.700 -0.064 0.000 1.048 68 T CA 0.678 62.525 62.100 -0.421 0.000 1.139 68 T CB -0.384 67.854 68.868 -1.051 0.000 0.874 68 T HN 0.040 nan 8.240 nan 0.000 0.455 69 F N 2.155 122.124 119.950 0.033 0.000 2.113 69 F HA 0.002 4.516 4.527 -0.021 0.000 0.297 69 F C 3.052 178.889 175.800 0.062 0.000 1.103 69 F CA 1.450 59.428 58.000 -0.037 0.000 1.248 69 F CB -0.967 37.911 39.000 -0.203 0.000 0.999 69 F HN 0.117 nan 8.300 nan 0.000 0.475 70 T N -0.614 114.121 114.554 0.301 0.000 2.788 70 T HA -0.150 4.188 4.350 -0.021 0.000 0.268 70 T C 2.289 177.170 174.700 0.302 0.000 1.044 70 T CA 1.383 63.676 62.100 0.322 0.000 1.139 70 T CB -0.975 68.094 68.868 0.335 0.000 0.867 70 T HN 0.457 nan 8.240 nan 0.000 0.454 71 G N 0.747 109.681 108.800 0.223 0.000 2.402 71 G HA2 -0.140 3.807 3.960 -0.021 0.000 0.216 71 G HA3 -0.140 3.807 3.960 -0.021 0.000 0.216 71 G C 1.676 176.721 174.900 0.242 0.000 1.162 71 G CA 0.688 45.911 45.100 0.205 0.000 0.777 71 G HN 0.440 nan 8.290 nan 0.000 0.539 72 V N 0.575 120.640 119.914 0.252 0.000 2.453 72 V HA -0.066 4.041 4.120 -0.021 0.000 0.247 72 V C 2.629 178.835 176.094 0.186 0.000 1.048 72 V CA 1.362 63.822 62.300 0.266 0.000 1.049 72 V CB -0.226 31.845 31.823 0.412 0.000 0.672 72 V HN 0.341 nan 8.190 nan 0.000 0.457 73 L N 1.450 122.757 121.223 0.139 0.000 2.046 73 L HA -0.023 4.304 4.340 -0.021 0.000 0.208 73 L C 2.310 179.192 176.870 0.019 0.000 1.077 73 L CA 2.437 57.280 54.840 0.005 0.000 0.747 73 L CB -1.302 40.680 42.059 -0.130 0.000 0.896 73 L HN 0.261 nan 8.230 nan 0.000 0.432 74 G N -1.084 107.796 108.800 0.134 0.000 2.421 74 G HA2 -0.208 3.739 3.960 -0.021 0.000 0.216 74 G HA3 -0.208 3.739 3.960 -0.021 0.000 0.216 74 G C 1.525 176.525 174.900 0.167 0.000 1.171 74 G CA 0.558 45.754 45.100 0.160 0.000 0.775 74 G HN 0.588 nan 8.290 nan 0.000 0.543 75 G N 0.597 109.510 108.800 0.190 0.000 2.422 75 G HA2 -0.223 3.724 3.960 -0.021 0.000 0.218 75 G HA3 -0.223 3.724 3.960 -0.021 0.000 0.218 75 G C 1.439 176.392 174.900 0.090 0.000 1.146 75 G CA 1.385 46.573 45.100 0.145 0.000 0.769 75 G HN 0.530 nan 8.290 nan 0.000 0.547 76 D N 0.579 121.020 120.400 0.068 0.000 2.144 76 D HA 0.045 4.672 4.640 -0.021 0.000 0.199 76 D C 2.608 178.911 176.300 0.004 0.000 0.984 76 D CA 1.384 55.403 54.000 0.031 0.000 0.834 76 D CB -0.260 40.549 40.800 0.015 0.000 0.955 76 D HN 0.236 nan 8.370 nan 0.000 0.465 77 A N -0.119 122.691 122.820 -0.016 0.000 1.969 77 A HA -0.055 4.252 4.320 -0.021 0.000 0.218 77 A C 2.282 179.856 177.584 -0.016 0.000 1.169 77 A CA 0.915 52.924 52.037 -0.046 0.000 0.635 77 A CB -0.645 18.290 19.000 -0.108 0.000 0.810 77 A HN 0.394 nan 8.150 nan 0.000 0.445 78 I N -0.397 120.185 120.570 0.020 0.000 2.233 78 I HA -0.206 3.951 4.170 -0.021 0.000 0.243 78 I C 2.928 179.066 176.117 0.035 0.000 1.093 78 I CA 0.974 62.298 61.300 0.040 0.000 1.380 78 I CB -0.310 37.735 38.000 0.075 0.000 1.067 78 I HN 0.313 nan 8.210 nan 0.000 0.413 79 A N 0.692 123.533 122.820 0.035 0.000 1.978 79 A HA -0.203 4.104 4.320 -0.021 0.000 0.220 79 A C 2.324 179.917 177.584 0.015 0.000 1.170 79 A CA 1.529 53.582 52.037 0.027 0.000 0.636 79 A CB -0.592 18.425 19.000 0.028 0.000 0.810 79 A HN 0.342 nan 8.150 nan 0.000 0.448 80 R N -1.755 118.749 120.500 0.006 0.000 2.276 80 R HA 0.140 4.467 4.340 -0.021 0.000 0.203 80 R C 1.369 177.672 176.300 0.004 0.000 1.017 80 R CA 0.597 56.696 56.100 -0.002 0.000 1.010 80 R CB -0.141 30.149 30.300 -0.017 0.000 0.900 80 R HN 0.717 nan 8.270 nan 0.000 0.469 81 G N 0.893 109.701 108.800 0.013 0.000 2.143 81 G HA2 -0.293 3.654 3.960 -0.021 0.000 0.249 81 G HA3 -0.293 3.654 3.960 -0.021 0.000 0.249 81 G C 0.493 175.409 174.900 0.027 0.000 0.981 81 G CA 0.469 45.583 45.100 0.022 0.000 0.665 81 G HN 0.448 nan 8.290 nan 0.000 0.528 82 E N -0.550 119.658 120.200 0.013 0.000 2.230 82 E HA 0.275 4.612 4.350 -0.021 0.000 0.192 82 E C 1.425 178.050 176.600 0.042 0.000 0.987 82 E CA 1.095 57.504 56.400 0.015 0.000 0.841 82 E CB 0.306 29.990 29.700 -0.026 0.000 0.783 82 E HN 0.914 nan 8.360 nan 0.000 0.481 83 I N -2.706 117.875 120.570 0.018 0.000 3.006 83 I HA 0.494 4.651 4.170 -0.021 0.000 0.306 83 I C -1.477 174.683 176.117 0.072 0.000 1.250 83 I CA -1.208 60.108 61.300 0.028 0.000 0.996 83 I CB 2.401 40.260 38.000 -0.235 0.000 1.261 83 I HN -0.353 nan 8.210 nan 0.000 0.442 84 K N 2.897 123.376 120.400 0.132 0.000 2.371 84 K HA 0.537 4.844 4.320 -0.021 0.000 0.251 84 K C 0.114 176.788 176.600 0.125 0.000 0.934 84 K CA -0.764 55.593 56.287 0.116 0.000 0.798 84 K CB 2.761 35.331 32.500 0.117 0.000 1.204 84 K HN 0.640 nan 8.250 nan 0.000 0.427 85 L N 1.131 122.412 121.223 0.096 0.000 2.376 85 L HA -0.126 4.202 4.340 -0.021 0.000 0.219 85 L C 1.842 178.744 176.870 0.055 0.000 1.133 85 L CA 1.075 55.958 54.840 0.072 0.000 0.816 85 L CB -0.123 41.939 42.059 0.004 0.000 0.933 85 L HN 0.684 nan 8.230 nan 0.000 0.449 86 S N -2.635 113.106 115.700 0.069 0.000 2.527 86 S HA 0.006 4.463 4.470 -0.021 0.000 0.222 86 S C 0.581 175.239 174.600 0.097 0.000 0.985 86 S CA -0.250 57.987 58.200 0.062 0.000 0.921 86 S CB -0.318 62.917 63.200 0.059 0.000 0.772 86 S HN 0.221 nan 8.310 nan 0.000 0.529 87 D N 4.009 124.497 120.400 0.148 0.000 2.372 87 D HA 0.306 4.933 4.640 -0.021 0.000 0.243 87 D C -2.427 173.997 176.300 0.206 0.000 1.121 87 D CA -1.539 52.569 54.000 0.181 0.000 0.898 87 D CB 0.656 41.630 40.800 0.291 0.000 1.202 87 D HN 0.200 nan 8.370 nan 0.000 0.428 88 P HA 0.071 nan 4.420 nan 0.000 0.278 88 P C 0.540 177.984 177.300 0.239 0.000 1.238 88 P CA -0.274 62.948 63.100 0.203 0.000 0.794 88 P CB 0.784 32.577 31.700 0.155 0.000 0.955 89 T N 0.984 115.719 114.554 0.301 0.000 2.737 89 T HA -0.158 4.179 4.350 -0.021 0.000 0.269 89 T C 1.685 176.499 174.700 0.189 0.000 1.040 89 T CA 2.594 64.865 62.100 0.284 0.000 1.142 89 T CB -1.043 67.999 68.868 0.289 0.000 0.861 89 T HN 0.656 nan 8.240 nan 0.000 0.456 90 T N 0.289 114.923 114.554 0.133 0.000 3.007 90 T HA -0.005 4.333 4.350 -0.021 0.000 0.270 90 T C 1.695 176.391 174.700 -0.007 0.000 1.107 90 T CA 0.919 63.051 62.100 0.054 0.000 1.118 90 T CB -0.247 68.652 68.868 0.053 0.000 0.889 90 T HN 0.392 nan 8.240 nan 0.000 0.506 91 K N -0.115 120.228 120.400 -0.095 0.000 2.362 91 K HA -0.056 4.251 4.320 -0.021 0.000 0.200 91 K C 0.763 177.036 176.600 -0.546 0.000 1.046 91 K CA 0.882 56.963 56.287 -0.343 0.000 0.952 91 K CB -0.055 32.138 32.500 -0.513 0.000 0.753 91 K HN 0.541 nan 8.250 nan 0.000 0.466 92 Y N -2.494 117.834 120.300 0.046 0.000 2.430 92 Y HA 0.144 4.681 4.550 -0.021 0.000 0.248 92 Y C 0.102 176.041 175.900 0.064 0.000 1.108 92 Y CA -0.568 57.539 58.100 0.013 0.000 1.264 92 Y CB 0.667 39.099 38.460 -0.045 0.000 1.172 92 Y HN 0.094 nan 8.280 nan 0.000 0.520 93 W N 3.788 125.069 121.300 -0.032 0.000 2.036 93 W HA 0.396 5.043 4.660 -0.022 0.000 0.294 93 W C -2.281 174.173 176.519 -0.108 0.000 0.948 93 W CA -3.560 53.730 57.345 -0.092 0.000 1.774 93 W CB 0.805 30.158 29.460 -0.179 0.000 1.950 93 W HN -0.153 nan 8.180 nan 0.000 0.384 94 P HA -0.257 nan 4.420 nan 0.000 0.217 94 P C 0.894 178.153 177.300 -0.068 0.000 1.151 94 P CA 2.023 65.134 63.100 0.018 0.000 0.849 94 P CB 0.463 32.181 31.700 0.030 0.000 0.787 95 E N -0.771 119.365 120.200 -0.107 0.000 2.401 95 E HA -0.087 4.250 4.350 -0.021 0.000 0.199 95 E C 0.696 177.052 176.600 -0.407 0.000 1.023 95 E CA 0.261 56.524 56.400 -0.229 0.000 0.859 95 E CB -0.870 28.701 29.700 -0.214 0.000 0.780 95 E HN 0.137 nan 8.360 nan 0.000 0.523 96 L N 1.144 122.049 121.223 -0.530 0.000 2.415 96 L HA 0.050 4.377 4.340 -0.021 0.000 0.269 96 L C 0.802 177.532 176.870 -0.233 0.000 1.244 96 L CA 0.811 55.305 54.840 -0.576 0.000 1.113 96 L CB -0.133 41.481 42.059 -0.741 0.000 1.352 96 L HN -0.049 nan 8.230 nan 0.000 0.433 97 T N 1.505 115.974 114.554 -0.142 0.000 3.035 97 T HA 0.191 4.528 4.350 -0.021 0.000 0.259 97 T C 1.033 175.772 174.700 0.065 0.000 1.078 97 T CA 0.477 62.562 62.100 -0.026 0.000 1.132 97 T CB 0.088 68.934 68.868 -0.037 0.000 0.900 97 T HN 0.637 nan 8.240 nan 0.000 0.480 98 A N 2.516 125.409 122.820 0.123 0.000 2.603 98 A HA -0.002 4.306 4.320 -0.021 0.000 0.235 98 A C 1.603 179.319 177.584 0.220 0.000 1.035 98 A CA 0.466 52.623 52.037 0.200 0.000 0.755 98 A CB 0.125 19.328 19.000 0.339 0.000 0.954 98 A HN 0.645 nan 8.150 nan 0.000 0.511 99 K N 1.983 122.445 120.400 0.104 0.000 2.097 99 K HA -0.240 4.067 4.320 -0.021 0.000 0.206 99 K C 1.615 178.243 176.600 0.046 0.000 1.049 99 K CA 1.521 57.849 56.287 0.069 0.000 0.933 99 K CB -0.155 32.356 32.500 0.018 0.000 0.717 99 K HN 0.836 nan 8.250 nan 0.000 0.442 100 Q N 0.531 120.307 119.800 -0.041 0.000 2.368 100 Q HA -0.182 4.145 4.340 -0.021 0.000 0.210 100 Q C 1.021 176.911 176.000 -0.184 0.000 0.982 100 Q CA 1.341 57.030 55.803 -0.190 0.000 0.884 100 Q CB -0.555 27.939 28.738 -0.407 0.000 0.933 100 Q HN 0.619 nan 8.270 nan 0.000 0.460 101 W N 1.817 123.172 121.300 0.092 0.000 2.937 101 W HA 0.027 4.674 4.660 -0.022 0.000 0.245 101 W C 1.839 178.430 176.519 0.120 0.000 1.306 101 W CA 0.301 57.730 57.345 0.140 0.000 1.470 101 W CB -0.158 29.370 29.460 0.114 0.000 1.132 101 W HN 0.315 nan 8.180 nan 0.000 0.675 102 N N 0.777 119.619 118.700 0.236 0.000 2.048 102 N HA -0.198 4.530 4.740 -0.021 0.000 0.197 102 N C 1.752 177.379 175.510 0.196 0.000 1.048 102 N CA 2.621 55.778 53.050 0.177 0.000 0.887 102 N CB -0.911 37.638 38.487 0.103 0.000 1.081 102 N HN 0.012 nan 8.380 nan 0.000 0.512 103 G N -0.770 108.132 108.800 0.169 0.000 3.440 103 G HA2 0.295 4.242 3.960 -0.021 0.000 0.263 103 G HA3 0.295 4.242 3.960 -0.021 0.000 0.263 103 G C -0.123 174.962 174.900 0.308 0.000 1.236 103 G CA -0.376 44.849 45.100 0.208 0.000 0.927 103 G HN 0.332 nan 8.290 nan 0.000 0.530 104 I N 2.852 123.636 120.570 0.356 0.000 2.301 104 I HA 0.172 4.330 4.170 -0.021 0.000 0.292 104 I C 0.957 177.398 176.117 0.541 0.000 1.046 104 I CA -0.394 61.212 61.300 0.510 0.000 1.282 104 I CB 0.961 39.216 38.000 0.425 0.000 1.409 104 I HN 0.109 nan 8.210 nan 0.000 0.484 105 T N 3.017 117.893 114.554 0.535 0.000 2.881 105 T HA 0.391 4.728 4.350 -0.021 0.000 0.278 105 T C 1.287 176.092 174.700 0.175 0.000 0.982 105 T CA -0.810 61.407 62.100 0.194 0.000 0.989 105 T CB 1.460 70.295 68.868 -0.055 0.000 1.058 105 T HN 0.415 nan 8.240 nan 0.000 0.529 106 L N 0.357 121.686 121.223 0.176 0.000 2.131 106 L HA -0.028 4.299 4.340 -0.021 0.000 0.210 106 L C 2.542 179.454 176.870 0.069 0.000 1.092 106 L CA 0.904 55.881 54.840 0.227 0.000 0.759 106 L CB -0.717 41.502 42.059 0.267 0.000 0.903 106 L HN 0.627 nan 8.230 nan 0.000 0.435 107 L N -0.807 120.379 121.223 -0.061 0.000 2.046 107 L HA -0.242 4.085 4.340 -0.021 0.000 0.208 107 L C 2.719 179.555 176.870 -0.056 0.000 1.077 107 L CA 1.828 56.566 54.840 -0.169 0.000 0.747 107 L CB -0.661 41.289 42.059 -0.181 0.000 0.896 107 L HN 0.241 nan 8.230 nan 0.000 0.432 108 H N -0.312 118.850 119.070 0.153 0.000 2.353 108 H HA -0.122 4.421 4.556 -0.022 0.000 0.300 108 H C 2.387 177.750 175.328 0.059 0.000 1.090 108 H CA 1.987 58.126 56.048 0.151 0.000 1.327 108 H CB -0.490 29.383 29.762 0.186 0.000 1.383 108 H HN 0.373 nan 8.280 nan 0.000 0.508 109 L N 0.038 121.376 121.223 0.192 0.000 2.017 109 L HA -0.121 4.206 4.340 -0.021 0.000 0.208 109 L C 2.786 179.594 176.870 -0.104 0.000 1.073 109 L CA 1.041 55.955 54.840 0.124 0.000 0.745 109 L CB -0.542 41.654 42.059 0.228 0.000 0.894 109 L HN 0.220 nan 8.230 nan 0.000 0.432 110 A N -0.359 122.238 122.820 -0.371 0.000 2.015 110 A HA -0.150 4.157 4.320 -0.021 0.000 0.219 110 A C 2.070 179.234 177.584 -0.700 0.000 1.163 110 A CA 1.948 53.504 52.037 -0.802 0.000 0.646 110 A CB -0.627 17.497 19.000 -1.459 0.000 0.806 110 A HN 0.527 nan 8.150 nan 0.000 0.448 111 T N -6.434 107.837 114.554 -0.473 0.000 3.085 111 T HA 0.316 4.653 4.350 -0.021 0.000 0.264 111 T C 0.352 174.830 174.700 -0.369 0.000 1.019 111 T CA 0.329 62.165 62.100 -0.440 0.000 0.910 111 T CB -0.728 68.189 68.868 0.081 0.000 1.059 111 T HN 0.710 nan 8.240 nan 0.000 0.542 112 Y N 0.697 121.003 120.300 0.010 0.000 4.569 112 Y HA -0.277 4.260 4.550 -0.021 0.000 0.237 112 Y C 1.183 177.071 175.900 -0.020 0.000 1.090 112 Y CA 0.533 58.640 58.100 0.011 0.000 2.052 112 Y CB -2.893 35.587 38.460 0.033 0.000 1.621 112 Y HN 0.579 nan 8.280 nan 0.000 0.682 113 T N -3.720 110.855 114.554 0.035 0.000 3.248 113 T HA 0.676 5.013 4.350 -0.021 0.000 0.271 113 T C 1.315 176.022 174.700 0.012 0.000 1.005 113 T CA 0.154 62.200 62.100 -0.090 0.000 0.902 113 T CB 0.794 69.368 68.868 -0.491 0.000 1.102 113 T HN 0.470 nan 8.240 nan 0.000 0.548 114 A N 1.282 124.179 122.820 0.128 0.000 2.066 114 A HA 0.558 4.865 4.320 -0.021 0.000 0.218 114 A C 1.865 179.567 177.584 0.197 0.000 1.157 114 A CA 0.630 52.744 52.037 0.129 0.000 0.670 114 A CB -0.775 18.303 19.000 0.130 0.000 0.804 114 A HN 1.505 nan 8.150 nan 0.000 0.453 115 G N -3.167 105.824 108.800 0.318 0.000 2.245 115 G HA2 0.411 4.358 3.960 -0.021 0.000 0.116 115 G HA3 0.411 4.358 3.960 -0.021 0.000 0.116 115 G C 0.995 176.141 174.900 0.410 0.000 1.054 115 G CA 0.385 45.743 45.100 0.431 0.000 0.728 115 G HN 1.953 nan 8.290 nan 0.000 0.483 116 G N -0.952 108.133 108.800 0.476 0.000 2.134 116 G HA2 -0.127 3.820 3.960 -0.021 0.000 0.209 116 G HA3 -0.127 3.820 3.960 -0.021 0.000 0.209 116 G C 0.535 175.622 174.900 0.311 0.000 0.993 116 G CA 0.036 45.247 45.100 0.184 0.000 0.669 116 G HN 1.295 nan 8.290 nan 0.000 0.519 117 L N 2.222 123.523 121.223 0.129 0.000 2.559 117 L HA 0.198 4.525 4.340 -0.021 0.000 0.282 117 L C -0.799 176.076 176.870 0.008 0.000 1.232 117 L CA -1.042 53.621 54.840 -0.294 0.000 0.885 117 L CB 0.347 42.195 42.059 -0.351 0.000 1.131 117 L HN 0.095 nan 8.230 nan 0.000 0.498 118 P HA -0.063 nan 4.420 nan 0.000 0.269 118 P C 0.509 177.861 177.300 0.088 0.000 1.215 118 P CA -0.410 62.761 63.100 0.118 0.000 0.780 118 P CB 0.909 32.718 31.700 0.182 0.000 0.898 119 L N 1.633 122.901 121.223 0.075 0.000 2.042 119 L HA -0.156 4.172 4.340 -0.021 0.000 0.210 119 L C 0.803 177.687 176.870 0.024 0.000 1.076 119 L CA 2.058 56.924 54.840 0.043 0.000 0.749 119 L CB -0.673 41.425 42.059 0.065 0.000 0.893 119 L HN 0.452 nan 8.230 nan 0.000 0.432 120 Q N -1.125 118.689 119.800 0.024 0.000 2.394 120 Q HA 0.553 4.880 4.340 -0.021 0.000 0.273 120 Q C -1.035 174.924 176.000 -0.069 0.000 1.089 120 Q CA -0.960 54.837 55.803 -0.011 0.000 0.812 120 Q CB 2.435 31.160 28.738 -0.022 0.000 1.353 120 Q HN -0.091 nan 8.270 nan 0.000 0.438 121 V N 2.753 122.581 119.914 -0.144 0.000 2.498 121 V HA 0.253 4.360 4.120 -0.021 0.000 0.279 121 V C -2.041 173.862 176.094 -0.319 0.000 1.048 121 V CA -1.592 60.454 62.300 -0.423 0.000 0.967 121 V CB 0.642 32.225 31.823 -0.400 0.000 0.988 121 V HN 0.672 nan 8.190 nan 0.000 0.473 122 P HA 0.046 nan 4.420 nan 0.000 0.265 122 P C 0.333 177.548 177.300 -0.141 0.000 1.187 122 P CA 0.023 63.013 63.100 -0.185 0.000 0.766 122 P CB 0.512 32.130 31.700 -0.136 0.000 0.820 123 D N 1.541 121.900 120.400 -0.069 0.000 2.221 123 D HA -0.162 4.465 4.640 -0.021 0.000 0.204 123 D C 1.514 177.793 176.300 -0.035 0.000 0.982 123 D CA 1.057 55.034 54.000 -0.039 0.000 0.857 123 D CB -0.001 40.790 40.800 -0.015 0.000 0.934 123 D HN 0.509 nan 8.370 nan 0.000 0.475 124 E N 0.122 120.300 120.200 -0.036 0.000 2.418 124 E HA -0.055 4.282 4.350 -0.021 0.000 0.197 124 E C 0.503 177.087 176.600 -0.026 0.000 1.026 124 E CA 0.145 56.533 56.400 -0.019 0.000 0.862 124 E CB -0.181 29.517 29.700 -0.003 0.000 0.799 124 E HN 0.071 nan 8.360 nan 0.000 0.518 125 V N 2.304 122.176 119.914 -0.070 0.000 2.356 125 V HA 0.115 4.223 4.120 -0.021 0.000 0.258 125 V C 0.981 177.050 176.094 -0.042 0.000 1.065 125 V CA 0.086 62.343 62.300 -0.072 0.000 0.935 125 V CB 0.699 32.405 31.823 -0.195 0.000 1.061 125 V HN 0.075 nan 8.190 nan 0.000 0.484 126 K N 2.118 122.514 120.400 -0.006 0.000 2.362 126 K HA 0.154 4.461 4.320 -0.021 0.000 0.203 126 K C 1.202 177.813 176.600 0.018 0.000 1.198 126 K CA 0.359 56.647 56.287 0.003 0.000 0.908 126 K CB 0.507 33.011 32.500 0.006 0.000 1.236 126 K HN 0.655 nan 8.250 nan 0.000 0.487 127 S N -0.098 115.622 115.700 0.034 0.000 2.614 127 S HA 0.086 4.543 4.470 -0.021 0.000 0.265 127 S C 1.130 175.774 174.600 0.075 0.000 1.303 127 S CA -0.352 57.876 58.200 0.046 0.000 1.000 127 S CB 1.629 64.859 63.200 0.049 0.000 0.935 127 S HN 0.072 nan 8.310 nan 0.000 0.551 128 S N 1.322 117.069 115.700 0.079 0.000 2.382 128 S HA -0.071 4.386 4.470 -0.021 0.000 0.228 128 S C 2.104 176.818 174.600 0.189 0.000 1.027 128 S CA 1.534 59.806 58.200 0.119 0.000 0.991 128 S CB -0.696 62.558 63.200 0.090 0.000 0.823 128 S HN 0.758 nan 8.310 nan 0.000 0.469 129 S N 1.117 116.901 115.700 0.141 0.000 2.402 129 S HA -0.077 4.380 4.470 -0.021 0.000 0.229 129 S C 1.451 176.135 174.600 0.141 0.000 1.021 129 S CA 0.917 59.198 58.200 0.135 0.000 0.974 129 S CB -0.356 62.897 63.200 0.088 0.000 0.800 129 S HN 0.471 nan 8.310 nan 0.000 0.484 130 D N 1.114 121.589 120.400 0.125 0.000 2.144 130 D HA -0.030 4.597 4.640 -0.021 0.000 0.199 130 D C 1.787 178.195 176.300 0.181 0.000 0.984 130 D CA 0.527 54.599 54.000 0.119 0.000 0.834 130 D CB -0.262 40.582 40.800 0.073 0.000 0.955 130 D HN 0.191 nan 8.370 nan 0.000 0.465 131 L N 0.352 121.717 121.223 0.237 0.000 2.072 131 L HA -0.058 4.269 4.340 -0.021 0.000 0.205 131 L C 2.093 179.304 176.870 0.569 0.000 1.079 131 L CA 0.967 56.043 54.840 0.393 0.000 0.752 131 L CB -0.614 41.699 42.059 0.424 0.000 0.906 131 L HN 0.020 nan 8.230 nan 0.000 0.436 132 L N -0.505 120.978 121.223 0.432 0.000 1.989 132 L HA -0.208 4.119 4.340 -0.021 0.000 0.211 132 L C 2.671 179.594 176.870 0.088 0.000 1.071 132 L CA 1.762 56.675 54.840 0.122 0.000 0.749 132 L CB -0.675 41.403 42.059 0.031 0.000 0.890 132 L HN 0.196 nan 8.230 nan 0.000 0.431 133 R N -1.475 119.104 120.500 0.131 0.000 2.083 133 R HA -0.237 4.090 4.340 -0.021 0.000 0.237 133 R C 2.322 178.717 176.300 0.159 0.000 1.137 133 R CA 2.047 58.215 56.100 0.113 0.000 0.951 133 R CB -0.763 29.604 30.300 0.111 0.000 0.851 133 R HN 0.462 nan 8.270 nan 0.000 0.434 134 F N 0.366 120.344 119.950 0.047 0.000 2.095 134 F HA -0.278 4.237 4.527 -0.020 0.000 0.298 134 F C 1.703 177.522 175.800 0.032 0.000 1.104 134 F CA 1.545 59.535 58.000 -0.016 0.000 1.232 134 F CB -0.472 38.438 39.000 -0.150 0.000 0.987 134 F HN -0.012 nan 8.300 nan 0.000 0.475 135 Y N 0.384 120.742 120.300 0.096 0.000 2.314 135 Y HA -0.146 4.392 4.550 -0.021 0.000 0.293 135 Y C 2.630 178.701 175.900 0.285 0.000 1.129 135 Y CA 1.410 59.580 58.100 0.118 0.000 1.201 135 Y CB -0.835 37.706 38.460 0.134 0.000 0.999 135 Y HN 0.125 nan 8.280 nan 0.000 0.541 136 Q N 0.137 120.073 119.800 0.226 0.000 2.124 136 Q HA -0.162 4.165 4.340 -0.021 0.000 0.202 136 Q C 1.186 177.291 176.000 0.175 0.000 0.977 136 Q CA 1.503 57.418 55.803 0.187 0.000 0.850 136 Q CB -0.490 28.268 28.738 0.032 0.000 0.901 136 Q HN 0.662 nan 8.270 nan 0.000 0.429 137 N N -0.910 117.850 118.700 0.098 0.000 2.336 137 N HA -0.032 4.695 4.740 -0.021 0.000 0.189 137 N C -0.145 175.362 175.510 -0.004 0.000 1.113 137 N CA -0.428 52.641 53.050 0.033 0.000 0.858 137 N CB 0.143 38.642 38.487 0.020 0.000 0.970 137 N HN 0.158 nan 8.380 nan 0.000 0.471 138 W N 3.059 124.245 121.300 -0.190 0.000 2.251 138 W HA 0.077 4.724 4.660 -0.021 0.000 0.327 138 W C -0.560 175.831 176.519 -0.213 0.000 1.361 138 W CA -0.220 56.962 57.345 -0.272 0.000 1.234 138 W CB 0.399 29.645 29.460 -0.357 0.000 1.212 138 W HN -0.020 nan 8.180 nan 0.000 0.557 139 Q N 7.749 126.969 119.800 -0.966 0.000 2.333 139 Q HA 0.300 4.627 4.340 -0.021 0.000 0.265 139 Q C -1.989 173.134 176.000 -1.461 0.000 0.989 139 Q CA -2.018 53.180 55.803 -1.008 0.000 0.842 139 Q CB 1.430 29.850 28.738 -0.530 0.000 1.262 139 Q HN 0.244 nan 8.270 nan 0.000 0.451 140 P HA -0.050 nan 4.420 nan 0.000 0.267 140 P C -0.399 176.472 177.300 -0.716 0.000 1.200 140 P CA 0.247 62.628 63.100 -1.199 0.000 0.772 140 P CB 0.894 32.090 31.700 -0.841 0.000 0.855 141 A N 2.023 124.418 122.820 -0.707 0.000 2.014 141 A HA 0.158 4.465 4.320 -0.021 0.000 0.210 141 A C 0.066 177.185 177.584 -0.775 0.000 1.188 141 A CA 0.649 52.151 52.037 -0.892 0.000 0.731 141 A CB -0.052 18.055 19.000 -1.488 0.000 0.858 141 A HN 0.542 nan 8.150 nan 0.000 0.464 142 W N -2.160 119.088 121.300 -0.086 0.000 2.992 142 W HA 0.699 5.346 4.660 -0.022 0.000 0.342 142 W C 0.044 176.508 176.519 -0.093 0.000 1.176 142 W CA -1.366 55.934 57.345 -0.075 0.000 1.118 142 W CB 0.840 30.272 29.460 -0.047 0.000 1.457 142 W HN 0.169 nan 8.180 nan 0.000 0.573 143 A N 3.411 126.339 122.820 0.180 0.000 2.425 143 A HA 0.447 4.754 4.320 -0.021 0.000 0.242 143 A C -1.954 175.652 177.584 0.036 0.000 1.077 143 A CA -0.849 51.224 52.037 0.059 0.000 0.781 143 A CB -0.739 18.290 19.000 0.048 0.000 1.020 143 A HN 0.183 nan 8.150 nan 0.000 0.494 144 P HA 0.221 nan 4.420 nan 0.000 0.271 144 P C 0.720 177.874 177.300 -0.243 0.000 1.218 144 P CA 1.371 64.309 63.100 -0.269 0.000 0.780 144 P CB 0.662 32.059 31.700 -0.506 0.000 0.901 145 G N 1.559 110.189 108.800 -0.284 0.000 2.160 145 G HA2 -0.258 3.689 3.960 -0.021 0.000 0.251 145 G HA3 -0.258 3.689 3.960 -0.021 0.000 0.251 145 G C 0.587 175.426 174.900 -0.101 0.000 1.008 145 G CA 0.734 45.804 45.100 -0.050 0.000 0.724 145 G HN 0.755 nan 8.290 nan 0.000 0.514 146 T N -4.581 109.873 114.554 -0.167 0.000 3.028 146 T HA 0.501 4.838 4.350 -0.021 0.000 0.250 146 T C 0.658 175.185 174.700 -0.288 0.000 0.979 146 T CA 1.101 63.114 62.100 -0.146 0.000 1.004 146 T CB 0.691 69.517 68.868 -0.070 0.000 1.120 146 T HN 0.475 nan 8.240 nan 0.000 0.482 147 Q N 0.603 120.174 119.800 -0.381 0.000 2.397 147 Q HA 0.563 4.890 4.340 -0.021 0.000 0.275 147 Q C -1.274 174.500 176.000 -0.377 0.000 1.090 147 Q CA -0.830 54.641 55.803 -0.554 0.000 0.809 147 Q CB 2.395 30.373 28.738 -1.266 0.000 1.362 147 Q HN 0.300 nan 8.270 nan 0.000 0.431 148 R N 3.086 123.411 120.500 -0.293 0.000 2.294 148 R HA 0.567 4.894 4.340 -0.021 0.000 0.319 148 R C -1.671 174.621 176.300 -0.013 0.000 0.984 148 R CA -0.605 55.430 56.100 -0.109 0.000 0.861 148 R CB 0.660 30.923 30.300 -0.063 0.000 1.104 148 R HN 0.574 nan 8.270 nan 0.000 0.451 149 L N 6.026 127.323 121.223 0.123 0.000 2.485 149 L HA 0.237 4.564 4.340 -0.021 0.000 0.260 149 L C -1.344 175.575 176.870 0.082 0.000 0.998 149 L CA -0.656 54.281 54.840 0.161 0.000 0.883 149 L CB 0.919 43.176 42.059 0.331 0.000 1.196 149 L HN 0.620 nan 8.230 nan 0.000 0.443 150 Y N 4.516 124.678 120.300 -0.230 0.000 2.887 150 Y HA 0.280 4.817 4.550 -0.022 0.000 0.350 150 Y C 0.133 175.860 175.900 -0.288 0.000 1.294 150 Y CA 0.985 58.735 58.100 -0.584 0.000 1.622 150 Y CB 0.259 38.464 38.460 -0.426 0.000 1.201 150 Y HN 0.772 nan 8.280 nan 0.000 0.546 151 A N 5.669 128.144 122.820 -0.574 0.000 2.488 151 A HA 0.339 4.646 4.320 -0.021 0.000 0.298 151 A C 0.003 177.510 177.584 -0.128 0.000 1.044 151 A CA -0.948 50.967 52.037 -0.203 0.000 0.693 151 A CB 1.053 20.072 19.000 0.032 0.000 1.272 151 A HN 0.773 nan 8.150 nan 0.000 0.402 152 N N 0.977 119.628 118.700 -0.082 0.000 2.270 152 N HA -0.133 4.594 4.740 -0.021 0.000 0.181 152 N C 2.026 177.595 175.510 0.098 0.000 1.016 152 N CA 1.861 54.928 53.050 0.029 0.000 0.870 152 N CB -0.091 38.460 38.487 0.108 0.000 0.979 152 N HN 0.809 nan 8.380 nan 0.000 0.431 153 S N -0.960 114.809 115.700 0.115 0.000 2.474 153 S HA 0.007 4.464 4.470 -0.021 0.000 0.235 153 S C 2.029 176.799 174.600 0.284 0.000 0.997 153 S CA 1.078 59.409 58.200 0.218 0.000 0.949 153 S CB -0.070 63.260 63.200 0.216 0.000 0.766 153 S HN 0.193 nan 8.310 nan 0.000 0.517 154 S N 1.238 117.055 115.700 0.196 0.000 2.310 154 S HA 0.183 4.640 4.470 -0.021 0.000 0.205 154 S C 1.674 176.366 174.600 0.153 0.000 1.020 154 S CA 0.494 58.806 58.200 0.187 0.000 0.939 154 S CB -0.643 62.684 63.200 0.211 0.000 0.919 154 S HN 0.480 nan 8.310 nan 0.000 0.501 155 I N 1.814 122.462 120.570 0.131 0.000 2.264 155 I HA -0.046 4.111 4.170 -0.021 0.000 0.248 155 I C 2.129 178.328 176.117 0.137 0.000 1.111 155 I CA 1.710 63.060 61.300 0.083 0.000 1.382 155 I CB -0.722 37.318 38.000 0.066 0.000 1.060 155 I HN 0.445 nan 8.210 nan 0.000 0.418 156 G N 0.469 109.322 108.800 0.087 0.000 2.440 156 G HA2 -0.290 3.657 3.960 -0.021 0.000 0.218 156 G HA3 -0.290 3.657 3.960 -0.021 0.000 0.218 156 G C 1.579 176.456 174.900 -0.038 0.000 1.154 156 G CA 1.014 46.109 45.100 -0.007 0.000 0.767 156 G HN 0.423 nan 8.290 nan 0.000 0.552 157 L N -0.094 121.151 121.223 0.036 0.000 2.083 157 L HA 0.109 4.436 4.340 -0.021 0.000 0.209 157 L C 2.418 179.240 176.870 -0.080 0.000 1.083 157 L CA 1.558 56.353 54.840 -0.075 0.000 0.752 157 L CB -0.795 41.188 42.059 -0.127 0.000 0.899 157 L HN 0.244 nan 8.230 nan 0.000 0.433 158 F N 0.391 120.281 119.950 -0.101 0.000 2.095 158 F HA -0.094 4.420 4.527 -0.022 0.000 0.298 158 F C 2.147 177.884 175.800 -0.104 0.000 1.104 158 F CA 1.846 59.787 58.000 -0.098 0.000 1.232 158 F CB -0.961 37.994 39.000 -0.074 0.000 0.987 158 F HN 0.117 nan 8.300 nan 0.000 0.475 159 G N -0.395 108.308 108.800 -0.162 0.000 2.408 159 G HA2 -0.177 3.770 3.960 -0.021 0.000 0.217 159 G HA3 -0.177 3.770 3.960 -0.021 0.000 0.217 159 G C 1.802 176.588 174.900 -0.189 0.000 1.150 159 G CA 0.754 45.754 45.100 -0.166 0.000 0.776 159 G HN 0.642 nan 8.290 nan 0.000 0.542 160 A N 0.481 123.128 122.820 -0.289 0.000 1.930 160 A HA 0.153 4.460 4.320 -0.021 0.000 0.217 160 A C 2.388 179.783 177.584 -0.315 0.000 1.175 160 A CA 1.127 52.992 52.037 -0.286 0.000 0.627 160 A CB -0.309 18.480 19.000 -0.352 0.000 0.815 160 A HN 0.353 nan 8.150 nan 0.000 0.443 161 L N -1.097 119.897 121.223 -0.381 0.000 2.179 161 L HA -0.041 4.286 4.340 -0.021 0.000 0.208 161 L C 2.962 179.535 176.870 -0.496 0.000 1.096 161 L CA 0.724 55.326 54.840 -0.396 0.000 0.779 161 L CB -0.489 41.371 42.059 -0.333 0.000 0.922 161 L HN 0.407 nan 8.230 nan 0.000 0.443 162 A N 0.388 122.846 122.820 -0.604 0.000 1.972 162 A HA -0.130 4.177 4.320 -0.021 0.000 0.219 162 A C 2.174 179.527 177.584 -0.384 0.000 1.169 162 A CA 1.778 53.439 52.037 -0.627 0.000 0.635 162 A CB -0.658 17.828 19.000 -0.857 0.000 0.810 162 A HN 0.329 nan 8.150 nan 0.000 0.446 163 V N -3.392 116.359 119.914 -0.271 0.000 3.406 163 V HA -0.012 4.095 4.120 -0.021 0.000 0.263 163 V C 1.781 177.781 176.094 -0.157 0.000 1.172 163 V CA 0.985 63.171 62.300 -0.191 0.000 1.140 163 V CB -0.560 31.181 31.823 -0.136 0.000 0.784 163 V HN 0.282 nan 8.190 nan 0.000 0.467 164 K N 1.468 121.765 120.400 -0.171 0.000 2.000 164 K HA -0.130 4.178 4.320 -0.021 0.000 0.218 164 K C 0.352 176.919 176.600 -0.055 0.000 1.053 164 K CA 2.322 58.545 56.287 -0.107 0.000 0.946 164 K CB -2.144 30.308 32.500 -0.080 0.000 0.723 164 K HN 0.452 nan 8.250 nan 0.000 0.446 165 P HA -0.190 nan 4.420 nan 0.000 0.216 165 P C 1.623 178.905 177.300 -0.030 0.000 1.154 165 P CA 2.041 65.143 63.100 0.004 0.000 0.865 165 P CB -0.219 31.498 31.700 0.029 0.000 0.789 166 S N -1.200 114.463 115.700 -0.062 0.000 2.440 166 S HA -0.093 4.364 4.470 -0.021 0.000 0.240 166 S C 1.893 176.458 174.600 -0.060 0.000 1.014 166 S CA 1.627 59.787 58.200 -0.067 0.000 0.980 166 S CB -1.665 61.477 63.200 -0.097 0.000 0.775 166 S HN 0.374 nan 8.310 nan 0.000 0.499 167 G N 0.190 108.956 108.800 -0.057 0.000 2.184 167 G HA2 -0.243 3.705 3.960 -0.021 0.000 0.264 167 G HA3 -0.243 3.705 3.960 -0.021 0.000 0.264 167 G C -0.016 174.849 174.900 -0.058 0.000 0.975 167 G CA 0.551 45.621 45.100 -0.049 0.000 0.642 167 G HN 0.623 nan 8.290 nan 0.000 0.536 168 L N 1.418 122.596 121.223 -0.076 0.000 2.375 168 L HA 0.661 4.989 4.340 -0.021 0.000 0.268 168 L C 1.351 178.171 176.870 -0.083 0.000 1.058 168 L CA -0.335 54.455 54.840 -0.084 0.000 0.803 168 L CB 1.582 43.575 42.059 -0.110 0.000 1.212 168 L HN 0.358 nan 8.230 nan 0.000 0.451 169 S N 0.206 115.863 115.700 -0.072 0.000 2.614 169 S HA 0.125 4.582 4.470 -0.021 0.000 0.265 169 S C 0.845 175.415 174.600 -0.051 0.000 1.303 169 S CA -0.373 57.800 58.200 -0.044 0.000 1.000 169 S CB 0.532 63.713 63.200 -0.031 0.000 0.935 169 S HN 0.550 nan 8.310 nan 0.000 0.551 170 F N 1.169 121.028 119.950 -0.152 0.000 2.095 170 F HA -0.093 4.422 4.527 -0.021 0.000 0.298 170 F C 2.543 178.232 175.800 -0.186 0.000 1.104 170 F CA 2.264 60.158 58.000 -0.175 0.000 1.232 170 F CB -0.392 38.504 39.000 -0.174 0.000 0.987 170 F HN 0.945 nan 8.300 nan 0.000 0.475 171 E N -0.309 119.879 120.200 -0.021 0.000 2.110 171 E HA -0.267 4.070 4.350 -0.021 0.000 0.193 171 E C 2.084 178.548 176.600 -0.226 0.000 0.988 171 E CA 1.547 57.878 56.400 -0.115 0.000 0.804 171 E CB -0.192 29.511 29.700 0.005 0.000 0.745 171 E HN 0.632 nan 8.360 nan 0.000 0.458 172 Q N -0.030 119.665 119.800 -0.174 0.000 2.079 172 Q HA -0.085 4.243 4.340 -0.021 0.000 0.200 172 Q C 2.252 178.102 176.000 -0.250 0.000 0.974 172 Q CA 1.221 56.921 55.803 -0.172 0.000 0.840 172 Q CB -0.117 28.553 28.738 -0.114 0.000 0.898 172 Q HN 0.336 nan 8.270 nan 0.000 0.430 173 A N 0.834 123.471 122.820 -0.305 0.000 1.933 173 A HA -0.210 4.097 4.320 -0.021 0.000 0.218 173 A C 2.059 179.368 177.584 -0.458 0.000 1.175 173 A CA 1.525 53.361 52.037 -0.336 0.000 0.628 173 A CB -0.432 18.360 19.000 -0.348 0.000 0.814 173 A HN 0.328 nan 8.150 nan 0.000 0.444 174 M N -0.454 118.745 119.600 -0.667 0.000 2.086 174 M HA -0.152 4.315 4.480 -0.021 0.000 0.261 174 M C 2.124 177.843 176.300 -0.968 0.000 1.067 174 M CA 2.047 56.806 55.300 -0.902 0.000 1.116 174 M CB -0.627 31.294 32.600 -1.132 0.000 1.348 174 M HN 0.505 nan 8.290 nan 0.000 0.407 175 Q N -1.302 118.083 119.800 -0.692 0.000 2.020 175 Q HA -0.162 4.166 4.340 -0.021 0.000 0.202 175 Q C 1.928 177.784 176.000 -0.240 0.000 0.982 175 Q CA 2.490 58.063 55.803 -0.384 0.000 0.838 175 Q CB -0.291 28.356 28.738 -0.152 0.000 0.899 175 Q HN 0.532 nan 8.270 nan 0.000 0.423 176 T N -0.208 114.212 114.554 -0.223 0.000 2.821 176 T HA -0.070 4.267 4.350 -0.021 0.000 0.267 176 T C 1.501 176.115 174.700 -0.143 0.000 1.046 176 T CA 1.171 63.180 62.100 -0.151 0.000 1.139 176 T CB 0.016 68.803 68.868 -0.135 0.000 0.871 176 T HN 0.131 nan 8.240 nan 0.000 0.454 177 R N -0.596 119.785 120.500 -0.198 0.000 2.282 177 R HA 0.273 4.601 4.340 -0.021 0.000 0.195 177 R C 1.585 177.821 176.300 -0.108 0.000 0.909 177 R CA 0.177 56.191 56.100 -0.143 0.000 1.039 177 R CB 0.605 30.812 30.300 -0.155 0.000 1.015 177 R HN 0.205 nan 8.270 nan 0.000 0.513 178 V N -1.354 118.455 119.914 -0.174 0.000 3.029 178 V HA 0.069 4.177 4.120 -0.021 0.000 0.230 178 V C 1.248 177.414 176.094 0.119 0.000 1.254 178 V CA 0.410 62.688 62.300 -0.037 0.000 1.276 178 V CB -0.308 31.464 31.823 -0.084 0.000 1.080 178 V HN -0.024 nan 8.190 nan 0.000 0.495 179 F N 1.675 121.548 119.950 -0.129 0.000 2.051 179 F HA -0.137 4.377 4.527 -0.022 0.000 0.296 179 F C 2.663 178.377 175.800 -0.143 0.000 1.122 179 F CA 1.496 59.388 58.000 -0.181 0.000 1.201 179 F CB -1.387 37.423 39.000 -0.317 0.000 0.978 179 F HN 0.176 nan 8.300 nan 0.000 0.472 180 Q N 0.058 119.900 119.800 0.070 0.000 2.014 180 Q HA -0.198 4.129 4.340 -0.021 0.000 0.207 180 Q C -0.204 175.800 176.000 0.007 0.000 0.993 180 Q CA 2.201 58.002 55.803 -0.004 0.000 0.850 180 Q CB -1.745 26.975 28.738 -0.031 0.000 0.916 180 Q HN 0.273 nan 8.270 nan 0.000 0.417 181 P HA -0.173 nan 4.420 nan 0.000 0.216 181 P C 0.815 178.142 177.300 0.046 0.000 1.150 181 P CA 1.313 64.428 63.100 0.024 0.000 0.843 181 P CB -0.019 31.696 31.700 0.026 0.000 0.787 182 L N -2.339 118.936 121.223 0.086 0.000 2.592 182 L HA 0.140 4.468 4.340 -0.021 0.000 0.227 182 L C 0.378 177.286 176.870 0.063 0.000 1.127 182 L CA 0.121 55.025 54.840 0.106 0.000 0.884 182 L CB -0.592 41.596 42.059 0.216 0.000 1.065 182 L HN -0.095 nan 8.230 nan 0.000 0.457 183 K N 0.450 120.864 120.400 0.022 0.000 3.167 183 K HA -0.144 4.163 4.320 -0.021 0.000 0.272 183 K C -0.363 176.200 176.600 -0.062 0.000 1.137 183 K CA 0.476 56.748 56.287 -0.024 0.000 0.800 183 K CB -1.693 30.802 32.500 -0.008 0.000 1.253 183 K HN 0.222 nan 8.250 nan 0.000 0.497 184 L N 0.976 122.142 121.223 -0.095 0.000 2.389 184 L HA 0.162 4.490 4.340 -0.021 0.000 0.265 184 L C 0.956 177.557 176.870 -0.448 0.000 1.167 184 L CA -0.422 54.279 54.840 -0.232 0.000 1.045 184 L CB 0.201 42.085 42.059 -0.292 0.000 1.351 184 L HN 0.207 nan 8.230 nan 0.000 0.419 185 N N 0.224 118.676 118.700 -0.412 0.000 2.467 185 N HA -0.033 4.694 4.740 -0.021 0.000 0.184 185 N C 0.749 175.642 175.510 -1.029 0.000 1.106 185 N CA 0.701 53.364 53.050 -0.646 0.000 0.892 185 N CB 0.338 38.519 38.487 -0.510 0.000 0.969 185 N HN 0.555 nan 8.380 nan 0.000 0.454 186 H N -0.409 118.354 119.070 -0.512 0.000 2.492 186 H HA 0.256 4.799 4.556 -0.022 0.000 0.264 186 H C -0.248 174.656 175.328 -0.708 0.000 1.150 186 H CA -0.059 55.740 56.048 -0.415 0.000 0.962 186 H CB 0.452 30.149 29.762 -0.108 0.000 1.766 186 H HN -0.113 nan 8.280 nan 0.000 0.589 187 T N 1.151 114.969 114.554 -1.226 0.000 2.779 187 T HA 0.362 4.699 4.350 -0.021 0.000 0.280 187 T C -0.644 173.146 174.700 -1.517 0.000 0.987 187 T CA -0.503 60.852 62.100 -1.243 0.000 0.966 187 T CB 1.220 69.205 68.868 -1.472 0.000 0.933 187 T HN 0.241 nan 8.240 nan 0.000 0.442 188 W N 1.467 122.460 121.300 -0.511 0.000 3.083 188 W HA 0.607 5.255 4.660 -0.020 0.000 0.333 188 W C 0.375 176.766 176.519 -0.213 0.000 1.217 188 W CA -0.837 56.337 57.345 -0.285 0.000 1.170 188 W CB 0.867 30.175 29.460 -0.253 0.000 1.437 188 W HN 0.439 nan 8.180 nan 0.000 0.557 189 I N 0.944 121.613 120.570 0.163 0.000 2.810 189 I HA 0.075 4.232 4.170 -0.021 0.000 0.262 189 I C -0.086 176.043 176.117 0.020 0.000 1.131 189 I CA 0.495 61.831 61.300 0.060 0.000 1.453 189 I CB 0.072 38.123 38.000 0.086 0.000 1.161 189 I HN 0.337 nan 8.210 nan 0.000 0.444 190 N N 0.544 119.275 118.700 0.051 0.000 2.483 190 N HA 0.286 5.013 4.740 -0.021 0.000 0.267 190 N C -0.728 174.703 175.510 -0.132 0.000 0.998 190 N CA -0.327 52.702 53.050 -0.035 0.000 0.918 190 N CB 2.238 40.710 38.487 -0.024 0.000 1.215 190 N HN -0.062 nan 8.380 nan 0.000 0.500 191 V N 2.095 121.847 119.914 -0.272 0.000 2.521 191 V HA 0.467 4.574 4.120 -0.021 0.000 0.286 191 V C -1.972 173.806 176.094 -0.527 0.000 1.034 191 V CA -1.369 60.581 62.300 -0.583 0.000 1.045 191 V CB 0.215 31.660 31.823 -0.631 0.000 0.974 191 V HN 0.504 nan 8.190 nan 0.000 0.480 192 P HA 0.299 nan 4.420 nan 0.000 0.272 192 P C -2.332 174.757 177.300 -0.351 0.000 1.223 192 P CA -1.609 61.190 63.100 -0.502 0.000 0.784 192 P CB 0.399 31.726 31.700 -0.621 0.000 0.923 193 P HA -0.215 nan 4.420 nan 0.000 0.217 193 P C 1.488 178.706 177.300 -0.137 0.000 1.151 193 P CA 2.229 65.246 63.100 -0.138 0.000 0.849 193 P CB -0.473 31.171 31.700 -0.094 0.000 0.787 194 A N -0.122 122.601 122.820 -0.161 0.000 2.024 194 A HA -0.208 4.100 4.320 -0.021 0.000 0.220 194 A C 2.012 179.520 177.584 -0.125 0.000 1.164 194 A CA 1.555 53.519 52.037 -0.122 0.000 0.643 194 A CB -0.802 18.130 19.000 -0.113 0.000 0.806 194 A HN 0.162 nan 8.150 nan 0.000 0.451 195 E N -0.872 119.198 120.200 -0.217 0.000 2.472 195 E HA -0.002 4.335 4.350 -0.021 0.000 0.196 195 E C 1.418 177.933 176.600 -0.142 0.000 1.033 195 E CA 0.120 56.405 56.400 -0.192 0.000 0.886 195 E CB 0.011 29.494 29.700 -0.362 0.000 0.944 195 E HN 0.746 nan 8.360 nan 0.000 0.492 196 E N 1.587 121.715 120.200 -0.120 0.000 2.147 196 E HA -0.246 4.092 4.350 -0.021 0.000 0.199 196 E C 1.915 178.509 176.600 -0.009 0.000 1.005 196 E CA 1.865 58.240 56.400 -0.040 0.000 0.810 196 E CB -0.082 29.598 29.700 -0.034 0.000 0.736 196 E HN 0.232 nan 8.360 nan 0.000 0.460 197 K N 0.003 120.393 120.400 -0.016 0.000 2.281 197 K HA -0.134 4.173 4.320 -0.021 0.000 0.203 197 K C 1.142 177.746 176.600 0.006 0.000 1.046 197 K CA 1.847 58.136 56.287 0.003 0.000 0.938 197 K CB -0.127 32.376 32.500 0.005 0.000 0.737 197 K HN 0.066 nan 8.250 nan 0.000 0.458 198 N N -0.548 118.149 118.700 -0.005 0.000 2.299 198 N HA -0.001 4.726 4.740 -0.021 0.000 0.187 198 N C -0.727 174.785 175.510 0.004 0.000 1.099 198 N CA -0.331 52.713 53.050 -0.010 0.000 0.867 198 N CB 0.177 38.650 38.487 -0.023 0.000 0.974 198 N HN 0.201 nan 8.380 nan 0.000 0.477 199 Y N 2.240 122.434 120.300 -0.176 0.000 2.637 199 Y HA 0.199 4.739 4.550 -0.016 0.000 0.350 199 Y C 0.506 176.266 175.900 -0.233 0.000 1.069 199 Y CA -1.307 56.642 58.100 -0.252 0.000 1.397 199 Y CB 0.141 38.390 38.460 -0.351 0.000 1.163 199 Y HN 0.030 nan 8.280 nan 0.000 0.527 200 A N 6.177 129.087 122.820 0.151 0.000 2.406 200 A HA 0.073 4.380 4.320 -0.021 0.000 0.243 200 A C -1.100 176.599 177.584 0.192 0.000 1.082 200 A CA -0.286 51.810 52.037 0.098 0.000 0.786 200 A CB 0.358 19.348 19.000 -0.017 0.000 1.029 200 A HN 0.938 nan 8.150 nan 0.000 0.495 201 W N -0.086 121.323 121.300 0.182 0.000 2.381 201 W HA 0.509 5.165 4.660 -0.006 0.000 0.329 201 W C 0.786 177.065 176.519 -0.401 0.000 1.157 201 W CA 0.097 57.354 57.345 -0.146 0.000 1.240 201 W CB 1.497 30.678 29.460 -0.465 0.000 1.199 201 W HN 0.934 nan 8.180 nan 0.000 0.579 202 G N 1.099 109.748 108.800 -0.252 0.000 2.451 202 G HA2 0.531 4.478 3.960 -0.021 0.000 0.303 202 G HA3 0.531 4.478 3.960 -0.021 0.000 0.303 202 G C -2.201 172.340 174.900 -0.599 0.000 1.166 202 G CA -0.470 44.197 45.100 -0.722 0.000 0.884 202 G HN 0.441 nan 8.290 nan 0.000 0.514 203 Y N 0.189 120.415 120.300 -0.124 0.000 2.327 203 Y HA 0.453 4.989 4.550 -0.024 0.000 0.325 203 Y C 0.427 176.318 175.900 -0.015 0.000 0.999 203 Y CA -0.813 57.260 58.100 -0.044 0.000 1.195 203 Y CB 2.004 40.446 38.460 -0.031 0.000 1.132 203 Y HN 0.283 nan 8.280 nan 0.000 0.455 204 R N 3.199 123.749 120.500 0.084 0.000 2.275 204 R HA 0.234 4.562 4.340 -0.021 0.000 0.326 204 R C -0.573 175.765 176.300 0.063 0.000 0.973 204 R CA -0.312 55.831 56.100 0.071 0.000 0.854 204 R CB 0.572 30.899 30.300 0.046 0.000 1.156 204 R HN 0.913 nan 8.270 nan 0.000 0.487 205 E N 1.892 122.133 120.200 0.067 0.000 2.230 205 E HA -0.268 4.069 4.350 -0.021 0.000 0.206 205 E C 0.649 177.276 176.600 0.044 0.000 1.309 205 E CA 0.713 57.141 56.400 0.046 0.000 0.697 205 E CB -0.945 28.773 29.700 0.030 0.000 1.146 205 E HN 1.173 nan 8.360 nan 0.000 0.363 206 G N 0.002 108.845 108.800 0.071 0.000 2.245 206 G HA2 -0.390 3.558 3.960 -0.021 0.000 0.264 206 G HA3 -0.390 3.558 3.960 -0.021 0.000 0.264 206 G C 0.254 175.218 174.900 0.108 0.000 0.985 206 G CA 0.963 46.105 45.100 0.071 0.000 0.625 206 G HN 0.300 nan 8.290 nan 0.000 0.536 207 K N 0.862 121.304 120.400 0.069 0.000 2.156 207 K HA 0.665 4.972 4.320 -0.021 0.000 0.271 207 K C 0.329 176.859 176.600 -0.116 0.000 0.995 207 K CA 0.023 56.300 56.287 -0.017 0.000 0.890 207 K CB 1.807 34.275 32.500 -0.054 0.000 1.073 207 K HN 0.444 nan 8.250 nan 0.000 0.454 208 A N 2.555 125.176 122.820 -0.332 0.000 2.404 208 A HA 0.385 4.692 4.320 -0.021 0.000 0.273 208 A C -0.007 177.284 177.584 -0.488 0.000 1.144 208 A CA -0.468 51.117 52.037 -0.752 0.000 0.806 208 A CB -0.113 18.209 19.000 -1.130 0.000 1.080 208 A HN 0.539 nan 8.150 nan 0.000 0.509 209 V N 1.029 120.809 119.914 -0.223 0.000 3.007 209 V HA 0.699 4.806 4.120 -0.021 0.000 0.311 209 V C -0.677 175.572 176.094 0.259 0.000 1.120 209 V CA -0.806 61.510 62.300 0.027 0.000 0.980 209 V CB 1.328 33.172 31.823 0.035 0.000 1.033 209 V HN 0.948 nan 8.190 nan 0.000 0.429 210 H N 0.553 119.783 119.070 0.268 0.000 2.731 210 H HA 0.683 5.229 4.556 -0.017 0.000 0.368 210 H C -0.513 174.935 175.328 0.201 0.000 1.168 210 H CA -0.967 55.194 56.048 0.190 0.000 1.181 210 H CB 2.312 32.041 29.762 -0.055 0.000 1.743 210 H HN 0.790 nan 8.280 nan 0.000 0.547 211 V N 1.959 122.087 119.914 0.357 0.000 2.763 211 V HA -0.024 4.083 4.120 -0.021 0.000 0.306 211 V C -0.000 176.230 176.094 0.227 0.000 1.059 211 V CA 0.527 62.992 62.300 0.275 0.000 1.138 211 V CB 1.079 33.071 31.823 0.282 0.000 0.940 211 V HN 0.700 nan 8.190 nan 0.000 0.489 212 S N 7.082 122.900 115.700 0.196 0.000 2.616 212 S HA 0.561 5.018 4.470 -0.021 0.000 0.277 212 S C -2.297 172.403 174.600 0.166 0.000 1.234 212 S CA -0.835 57.458 58.200 0.155 0.000 1.028 212 S CB 1.349 64.618 63.200 0.116 0.000 0.988 212 S HN 0.880 nan 8.310 nan 0.000 0.522 213 P HA 0.482 nan 4.420 nan 0.000 0.272 213 P C -0.325 177.033 177.300 0.097 0.000 1.223 213 P CA -0.277 62.875 63.100 0.087 0.000 0.784 213 P CB 0.578 32.307 31.700 0.049 0.000 0.923 214 G N -0.621 108.227 108.800 0.080 0.000 2.623 214 G HA2 0.540 4.488 3.960 -0.021 0.000 0.290 214 G HA3 0.540 4.488 3.960 -0.021 0.000 0.290 214 G C -1.389 173.520 174.900 0.017 0.000 1.437 214 G CA -0.418 44.733 45.100 0.085 0.000 0.798 214 G HN 0.543 nan 8.290 nan 0.000 0.488 215 A N 0.131 122.948 122.820 -0.005 0.000 2.511 215 A HA 0.533 4.840 4.320 -0.021 0.000 0.242 215 A C 1.443 178.994 177.584 -0.056 0.000 1.069 215 A CA 0.507 52.519 52.037 -0.042 0.000 0.763 215 A CB -0.437 18.524 19.000 -0.064 0.000 1.001 215 A HN 1.759 nan 8.150 nan 0.000 0.498 216 L N 0.397 121.552 121.223 -0.114 0.000 3.976 216 L HA -0.328 3.999 4.340 -0.021 0.000 0.418 216 L C 1.114 177.790 176.870 -0.323 0.000 1.177 216 L CA 0.668 55.392 54.840 -0.193 0.000 0.968 216 L CB -1.908 40.093 42.059 -0.096 0.000 1.933 216 L HN 0.998 nan 8.230 nan 0.000 0.976 217 D N 0.367 120.525 120.400 -0.403 0.000 2.097 217 D HA -0.136 4.492 4.640 -0.021 0.000 0.197 217 D C 1.990 177.837 176.300 -0.754 0.000 0.984 217 D CA 1.403 54.850 54.000 -0.920 0.000 0.826 217 D CB -0.127 40.297 40.800 -0.627 0.000 0.973 217 D HN 0.429 nan 8.370 nan 0.000 0.460 218 A N 1.003 123.555 122.820 -0.447 0.000 1.892 218 A HA -0.266 4.042 4.320 -0.021 0.000 0.218 218 A C 2.141 179.479 177.584 -0.410 0.000 1.188 218 A CA 2.220 54.066 52.037 -0.318 0.000 0.631 218 A CB -0.806 18.064 19.000 -0.216 0.000 0.822 218 A HN 0.241 nan 8.150 nan 0.000 0.447 219 E N -0.542 119.232 120.200 -0.709 0.000 2.208 219 E HA 0.124 4.461 4.350 -0.021 0.000 0.193 219 E C 1.918 178.357 176.600 -0.268 0.000 0.988 219 E CA 1.238 57.174 56.400 -0.773 0.000 0.828 219 E CB -0.217 28.990 29.700 -0.822 0.000 0.763 219 E HN 0.614 nan 8.360 nan 0.000 0.478 220 A N -0.458 122.217 122.820 -0.242 0.000 2.055 220 A HA 0.123 4.430 4.320 -0.021 0.000 0.205 220 A C 0.686 178.346 177.584 0.127 0.000 1.235 220 A CA 0.408 52.438 52.037 -0.013 0.000 0.822 220 A CB 0.064 19.130 19.000 0.111 0.000 0.903 220 A HN 0.390 nan 8.150 nan 0.000 0.473 221 Y N -4.060 116.253 120.300 0.021 0.000 2.979 221 Y HA 0.488 5.024 4.550 -0.022 0.000 0.251 221 Y C 0.896 176.816 175.900 0.033 0.000 1.092 221 Y CA -0.425 57.706 58.100 0.051 0.000 1.206 221 Y CB -0.410 38.088 38.460 0.064 0.000 1.254 221 Y HN -0.018 nan 8.280 nan 0.000 0.625 222 G N 0.615 109.311 108.800 -0.174 0.000 2.939 222 G HA2 0.248 4.196 3.960 -0.021 0.000 0.210 222 G HA3 0.248 4.196 3.960 -0.021 0.000 0.210 222 G C 0.064 174.927 174.900 -0.061 0.000 1.160 222 G CA 0.206 45.229 45.100 -0.129 0.000 0.770 222 G HN 0.140 nan 8.290 nan 0.000 0.543 223 V N 0.527 120.409 119.914 -0.053 0.000 2.686 223 V HA 0.350 4.457 4.120 -0.021 0.000 0.295 223 V C -0.091 175.907 176.094 -0.159 0.000 1.055 223 V CA -0.117 62.099 62.300 -0.140 0.000 1.050 223 V CB 1.323 32.977 31.823 -0.282 0.000 0.984 223 V HN 0.147 nan 8.190 nan 0.000 0.482 224 K N 2.209 122.478 120.400 -0.219 0.000 2.324 224 K HA 0.769 5.077 4.320 -0.021 0.000 0.253 224 K C -0.531 175.933 176.600 -0.228 0.000 0.932 224 K CA -0.132 56.009 56.287 -0.242 0.000 0.799 224 K CB 2.095 34.357 32.500 -0.396 0.000 1.154 224 K HN 0.731 nan 8.250 nan 0.000 0.425 225 S N -0.008 115.611 115.700 -0.135 0.000 2.688 225 S HA 0.635 5.092 4.470 -0.021 0.000 0.275 225 S C -1.339 173.294 174.600 0.054 0.000 1.175 225 S CA -0.665 57.468 58.200 -0.113 0.000 0.818 225 S CB 1.140 64.250 63.200 -0.151 0.000 1.157 225 S HN 0.676 nan 8.310 nan 0.000 0.482 226 T N -0.322 114.267 114.554 0.059 0.000 2.949 226 T HA 0.563 4.900 4.350 -0.021 0.000 0.287 226 T C 1.078 175.861 174.700 0.138 0.000 1.034 226 T CA -0.583 61.597 62.100 0.134 0.000 1.018 226 T CB 0.912 69.799 68.868 0.033 0.000 1.135 226 T HN 0.366 nan 8.240 nan 0.000 0.532 227 I N 0.816 121.480 120.570 0.155 0.000 2.361 227 I HA -0.055 4.103 4.170 -0.021 0.000 0.251 227 I C 2.294 178.501 176.117 0.150 0.000 1.133 227 I CA 1.452 62.848 61.300 0.159 0.000 1.413 227 I CB -0.667 37.442 38.000 0.181 0.000 1.073 227 I HN 0.802 nan 8.210 nan 0.000 0.424 228 E N -0.124 120.059 120.200 -0.029 0.000 2.072 228 E HA -0.211 4.126 4.350 -0.021 0.000 0.191 228 E C 1.638 178.303 176.600 0.108 0.000 0.985 228 E CA 1.390 57.781 56.400 -0.015 0.000 0.801 228 E CB -0.162 29.432 29.700 -0.176 0.000 0.750 228 E HN 0.481 nan 8.360 nan 0.000 0.452 229 D N 0.130 120.572 120.400 0.070 0.000 2.178 229 D HA -0.097 4.530 4.640 -0.021 0.000 0.202 229 D C 1.777 178.181 176.300 0.174 0.000 0.974 229 D CA 0.780 54.825 54.000 0.076 0.000 0.841 229 D CB 0.018 40.794 40.800 -0.039 0.000 0.953 229 D HN 0.054 nan 8.370 nan 0.000 0.478 230 M N 0.299 120.019 119.600 0.200 0.000 2.229 230 M HA 0.019 4.486 4.480 -0.021 0.000 0.264 230 M C 2.158 178.628 176.300 0.283 0.000 1.063 230 M CA 0.617 56.096 55.300 0.299 0.000 1.114 230 M CB -1.047 31.708 32.600 0.258 0.000 1.387 230 M HN -0.014 nan 8.290 nan 0.000 0.420 231 A N -0.346 122.614 122.820 0.233 0.000 1.902 231 A HA -0.169 4.138 4.320 -0.021 0.000 0.217 231 A C 2.415 180.058 177.584 0.098 0.000 1.181 231 A CA 1.603 53.736 52.037 0.161 0.000 0.623 231 A CB -0.603 18.533 19.000 0.227 0.000 0.818 231 A HN 0.426 nan 8.150 nan 0.000 0.443 232 R N -1.491 119.095 120.500 0.143 0.000 2.075 232 R HA -0.146 4.181 4.340 -0.021 0.000 0.232 232 R C 2.163 178.562 176.300 0.164 0.000 1.126 232 R CA 1.357 57.524 56.100 0.113 0.000 0.963 232 R CB -0.351 30.023 30.300 0.122 0.000 0.858 232 R HN 0.853 nan 8.270 nan 0.000 0.435 233 W N 0.660 121.972 121.300 0.021 0.000 2.335 233 W HA -0.237 4.411 4.660 -0.020 0.000 0.311 233 W C 1.498 177.955 176.519 -0.103 0.000 1.213 233 W CA 1.289 58.640 57.345 0.009 0.000 1.274 233 W CB -0.161 29.349 29.460 0.083 0.000 1.148 233 W HN -0.072 nan 8.180 nan 0.000 0.498 234 V N 1.465 121.275 119.914 -0.174 0.000 2.287 234 V HA -0.366 3.741 4.120 -0.021 0.000 0.248 234 V C 2.403 178.140 176.094 -0.596 0.000 1.053 234 V CA 2.434 64.424 62.300 -0.515 0.000 1.027 234 V CB -1.153 30.496 31.823 -0.290 0.000 0.646 234 V HN 0.284 nan 8.190 nan 0.000 0.447 235 Q N -0.188 119.417 119.800 -0.325 0.000 2.124 235 Q HA -0.179 4.148 4.340 -0.021 0.000 0.202 235 Q C 2.460 178.275 176.000 -0.307 0.000 0.977 235 Q CA 1.934 57.568 55.803 -0.280 0.000 0.850 235 Q CB -0.300 28.345 28.738 -0.154 0.000 0.901 235 Q HN 0.619 nan 8.270 nan 0.000 0.429 236 S N 0.939 116.472 115.700 -0.279 0.000 2.382 236 S HA -0.087 4.370 4.470 -0.021 0.000 0.228 236 S C 1.516 175.886 174.600 -0.384 0.000 1.027 236 S CA 0.913 58.964 58.200 -0.248 0.000 0.991 236 S CB -0.144 62.981 63.200 -0.126 0.000 0.823 236 S HN 0.369 nan 8.310 nan 0.000 0.469 237 N N 0.958 119.269 118.700 -0.649 0.000 2.416 237 N HA 0.169 4.896 4.740 -0.021 0.000 0.177 237 N C 1.534 176.647 175.510 -0.662 0.000 1.036 237 N CA 0.382 52.991 53.050 -0.734 0.000 0.901 237 N CB -0.065 37.751 38.487 -1.118 0.000 0.976 237 N HN 0.339 nan 8.380 nan 0.000 0.444 238 L N 0.630 121.435 121.223 -0.696 0.000 2.072 238 L HA -0.017 4.310 4.340 -0.021 0.000 0.205 238 L C 0.352 177.070 176.870 -0.253 0.000 1.079 238 L CA 1.099 55.672 54.840 -0.445 0.000 0.752 238 L CB 0.131 41.943 42.059 -0.412 0.000 0.906 238 L HN -0.055 nan 8.230 nan 0.000 0.436 239 K N -0.076 120.180 120.400 -0.240 0.000 2.753 239 K HA 0.225 4.532 4.320 -0.021 0.000 0.185 239 K C -2.048 174.467 176.600 -0.141 0.000 1.071 239 K CA -1.282 54.908 56.287 -0.161 0.000 0.999 239 K CB 1.312 33.730 32.500 -0.136 0.000 1.244 239 K HN -0.076 nan 8.250 nan 0.000 0.594 240 P HA -0.118 nan 4.420 nan 0.000 0.221 240 P C 1.049 178.309 177.300 -0.067 0.000 1.150 240 P CA 0.779 63.818 63.100 -0.101 0.000 0.800 240 P CB 0.273 31.918 31.700 -0.092 0.000 0.787 241 L N -0.432 120.752 121.223 -0.065 0.000 2.622 241 L HA -0.038 4.289 4.340 -0.021 0.000 0.233 241 L C 1.159 178.002 176.870 -0.046 0.000 1.156 241 L CA 0.909 55.720 54.840 -0.048 0.000 0.866 241 L CB -0.712 41.319 42.059 -0.047 0.000 0.980 241 L HN -0.106 nan 8.230 nan 0.000 0.448 242 D N -0.406 119.961 120.400 -0.054 0.000 2.349 242 D HA 0.133 4.760 4.640 -0.021 0.000 0.214 242 D C 0.313 176.590 176.300 -0.038 0.000 1.063 242 D CA 0.236 54.207 54.000 -0.048 0.000 0.847 242 D CB 0.397 41.161 40.800 -0.061 0.000 0.933 242 D HN 0.065 nan 8.370 nan 0.000 0.513 243 I N 1.416 121.965 120.570 -0.035 0.000 2.428 243 I HA 0.071 4.228 4.170 -0.021 0.000 0.289 243 I C 1.487 177.596 176.117 -0.014 0.000 1.019 243 I CA -0.294 60.995 61.300 -0.020 0.000 1.351 243 I CB 0.947 38.940 38.000 -0.012 0.000 1.412 243 I HN -0.197 nan 8.210 nan 0.000 0.513 244 N N 3.277 121.972 118.700 -0.009 0.000 2.135 244 N HA -0.083 4.645 4.740 -0.021 0.000 0.186 244 N C 0.095 175.601 175.510 -0.005 0.000 1.027 244 N CA 0.772 53.817 53.050 -0.008 0.000 0.849 244 N CB -0.106 38.376 38.487 -0.008 0.000 1.002 244 N HN 0.501 nan 8.380 nan 0.000 0.425 245 E N 2.152 122.352 120.200 -0.000 0.000 2.406 245 E HA -0.055 4.282 4.350 -0.021 0.000 0.258 245 E C 1.239 177.839 176.600 0.001 0.000 1.043 245 E CA 0.095 56.496 56.400 0.001 0.000 0.929 245 E CB 0.387 30.090 29.700 0.006 0.000 0.969 245 E HN 0.385 nan 8.360 nan 0.000 0.462 246 K N 1.939 122.338 120.400 -0.002 0.000 1.991 246 K HA -0.235 4.072 4.320 -0.021 0.000 0.212 246 K C 1.575 178.178 176.600 0.004 0.000 1.049 246 K CA 1.976 58.263 56.287 -0.001 0.000 0.932 246 K CB -0.778 31.721 32.500 -0.003 0.000 0.717 246 K HN 0.499 nan 8.250 nan 0.000 0.441 247 T N -0.291 114.266 114.554 0.005 0.000 2.881 247 T HA -0.097 4.240 4.350 -0.021 0.000 0.270 247 T C 1.917 176.629 174.700 0.021 0.000 1.068 247 T CA 0.943 63.049 62.100 0.010 0.000 1.131 247 T CB -0.214 68.656 68.868 0.003 0.000 0.871 247 T HN 0.177 nan 8.240 nan 0.000 0.479 248 L N 1.140 122.376 121.223 0.023 0.000 2.109 248 L HA 0.139 4.466 4.340 -0.021 0.000 0.207 248 L C 2.788 179.683 176.870 0.042 0.000 1.086 248 L CA 1.725 56.590 54.840 0.043 0.000 0.760 248 L CB -0.957 41.132 42.059 0.049 0.000 0.910 248 L HN 0.409 nan 8.230 nan 0.000 0.437 249 Q N -1.131 118.682 119.800 0.021 0.000 2.119 249 Q HA -0.268 4.059 4.340 -0.021 0.000 0.201 249 Q C 2.134 178.141 176.000 0.010 0.000 0.972 249 Q CA 1.796 57.603 55.803 0.005 0.000 0.847 249 Q CB -0.001 28.734 28.738 -0.006 0.000 0.903 249 Q HN 0.591 nan 8.270 nan 0.000 0.433 250 Q N -0.554 119.258 119.800 0.019 0.000 2.123 250 Q HA -0.019 4.308 4.340 -0.021 0.000 0.199 250 Q C 1.946 177.975 176.000 0.049 0.000 0.966 250 Q CA 1.442 57.261 55.803 0.026 0.000 0.845 250 Q CB -0.270 28.482 28.738 0.024 0.000 0.907 250 Q HN 0.571 nan 8.270 nan 0.000 0.439 251 G N 0.372 109.209 108.800 0.061 0.000 2.418 251 G HA2 -0.245 3.703 3.960 -0.021 0.000 0.217 251 G HA3 -0.245 3.703 3.960 -0.021 0.000 0.217 251 G C 1.355 176.326 174.900 0.119 0.000 1.158 251 G CA 0.750 45.906 45.100 0.093 0.000 0.771 251 G HN 0.291 nan 8.290 nan 0.000 0.545 252 I N 0.187 120.813 120.570 0.093 0.000 2.226 252 I HA -0.208 3.949 4.170 -0.021 0.000 0.245 252 I C 3.040 179.201 176.117 0.074 0.000 1.100 252 I CA 1.222 62.573 61.300 0.085 0.000 1.374 252 I CB -0.160 37.839 38.000 -0.001 0.000 1.057 252 I HN 0.215 nan 8.210 nan 0.000 0.413 253 Q N 0.126 119.950 119.800 0.040 0.000 2.167 253 Q HA -0.151 4.176 4.340 -0.021 0.000 0.202 253 Q C 2.338 178.375 176.000 0.061 0.000 0.970 253 Q CA 1.233 57.051 55.803 0.024 0.000 0.855 253 Q CB -0.048 28.691 28.738 0.002 0.000 0.911 253 Q HN 0.539 nan 8.270 nan 0.000 0.438 254 L N -0.214 121.070 121.223 0.101 0.000 2.156 254 L HA -0.100 4.227 4.340 -0.021 0.000 0.208 254 L C 2.361 179.380 176.870 0.249 0.000 1.095 254 L CA 0.749 55.684 54.840 0.158 0.000 0.770 254 L CB -0.474 41.680 42.059 0.159 0.000 0.914 254 L HN 0.198 nan 8.230 nan 0.000 0.439 255 A N -0.622 122.345 122.820 0.244 0.000 2.066 255 A HA -0.158 4.150 4.320 -0.021 0.000 0.218 255 A C 1.984 179.796 177.584 0.381 0.000 1.157 255 A CA 1.026 53.262 52.037 0.331 0.000 0.670 255 A CB -0.207 19.024 19.000 0.384 0.000 0.804 255 A HN 0.498 nan 8.150 nan 0.000 0.453 256 Q N 0.050 119.990 119.800 0.233 0.000 2.280 256 Q HA 0.201 4.528 4.340 -0.021 0.000 0.201 256 Q C -0.047 175.979 176.000 0.043 0.000 0.890 256 Q CA -0.301 55.575 55.803 0.121 0.000 0.947 256 Q CB 0.430 29.148 28.738 -0.033 0.000 1.081 256 Q HN 0.479 nan 8.270 nan 0.000 0.502 257 S N 0.950 116.668 115.700 0.030 0.000 2.600 257 S HA 0.269 4.726 4.470 -0.021 0.000 0.265 257 S C 0.112 174.542 174.600 -0.284 0.000 1.325 257 S CA -0.258 57.821 58.200 -0.201 0.000 1.002 257 S CB 0.609 63.596 63.200 -0.355 0.000 0.921 257 S HN 0.217 nan 8.310 nan 0.000 0.554 258 R N 0.929 121.191 120.500 -0.396 0.000 2.246 258 R HA 0.293 4.620 4.340 -0.021 0.000 0.332 258 R C -0.466 175.622 176.300 -0.354 0.000 0.974 258 R CA -0.174 55.796 56.100 -0.217 0.000 0.837 258 R CB 0.503 30.685 30.300 -0.196 0.000 1.145 258 R HN 0.671 nan 8.270 nan 0.000 0.467 259 Y N 0.486 120.787 120.300 0.002 0.000 2.479 259 Y HA 0.169 4.706 4.550 -0.021 0.000 0.283 259 Y C 0.146 175.771 175.900 -0.458 0.000 1.109 259 Y CA 0.215 58.156 58.100 -0.265 0.000 1.239 259 Y CB 0.508 38.796 38.460 -0.287 0.000 1.108 259 Y HN 0.437 nan 8.280 nan 0.000 0.548 260 W N -0.376 121.103 121.300 0.299 0.000 3.083 260 W HA 0.562 5.209 4.660 -0.021 0.000 0.333 260 W C -0.907 175.737 176.519 0.209 0.000 1.217 260 W CA -1.026 56.451 57.345 0.220 0.000 1.170 260 W CB 1.122 30.696 29.460 0.190 0.000 1.437 260 W HN -0.465 nan 8.180 nan 0.000 0.557 261 Q N 1.160 121.185 119.800 0.375 0.000 2.356 261 Q HA 0.660 4.987 4.340 -0.021 0.000 0.270 261 Q C -1.329 174.702 176.000 0.053 0.000 1.058 261 Q CA -0.498 55.359 55.803 0.091 0.000 0.802 261 Q CB 2.506 31.242 28.738 -0.003 0.000 1.303 261 Q HN 0.454 nan 8.270 nan 0.000 0.444 262 T N 2.461 116.988 114.554 -0.046 0.000 3.050 262 T HA 0.596 4.934 4.350 -0.021 0.000 0.310 262 T C 0.221 174.874 174.700 -0.079 0.000 0.978 262 T CA 0.761 62.841 62.100 -0.032 0.000 1.013 262 T CB 0.532 69.401 68.868 0.001 0.000 1.000 262 T HN 1.065 nan 8.240 nan 0.000 0.447 263 G N 5.446 114.199 108.800 -0.079 0.000 2.536 263 G HA2 -0.267 3.680 3.960 -0.021 0.000 0.280 263 G HA3 -0.267 3.680 3.960 -0.021 0.000 0.280 263 G C 0.044 174.864 174.900 -0.133 0.000 1.152 263 G CA 0.764 45.813 45.100 -0.084 0.000 0.970 263 G HN 1.015 nan 8.290 nan 0.000 0.549 264 D N -0.159 120.159 120.400 -0.137 0.000 2.462 264 D HA 0.420 5.047 4.640 -0.021 0.000 0.221 264 D C 0.943 177.090 176.300 -0.256 0.000 1.173 264 D CA 0.052 53.940 54.000 -0.187 0.000 0.831 264 D CB 0.180 40.924 40.800 -0.094 0.000 1.001 264 D HN 0.593 nan 8.370 nan 0.000 0.499 265 M N 0.850 120.312 119.600 -0.230 0.000 2.367 265 M HA 0.422 4.889 4.480 -0.021 0.000 0.339 265 M C -1.500 174.643 176.300 -0.263 0.000 1.177 265 M CA -0.523 54.710 55.300 -0.110 0.000 1.068 265 M CB 1.398 34.026 32.600 0.048 0.000 1.602 265 M HN -0.110 nan 8.290 nan 0.000 0.457 266 Y N 1.561 121.972 120.300 0.186 0.000 2.468 266 Y HA 0.413 4.950 4.550 -0.021 0.000 0.342 266 Y C -0.436 175.627 175.900 0.271 0.000 1.021 266 Y CA -0.663 57.560 58.100 0.205 0.000 1.079 266 Y CB 1.741 40.291 38.460 0.150 0.000 1.226 266 Y HN 0.568 nan 8.280 nan 0.000 0.460 267 Q N 1.421 121.514 119.800 0.488 0.000 2.307 267 Q HA 0.642 4.969 4.340 -0.021 0.000 0.262 267 Q C -0.275 176.032 176.000 0.513 0.000 0.961 267 Q CA -0.377 55.713 55.803 0.478 0.000 0.882 267 Q CB 1.562 30.595 28.738 0.491 0.000 1.264 267 Q HN 0.880 nan 8.270 nan 0.000 0.446 268 G N 2.590 111.662 108.800 0.454 0.000 2.890 268 G HA2 0.496 4.444 3.960 -0.021 0.000 0.189 268 G HA3 0.496 4.444 3.960 -0.021 0.000 0.189 268 G C -0.967 174.099 174.900 0.276 0.000 1.342 268 G CA -0.859 44.534 45.100 0.488 0.000 1.026 268 G HN 0.581 nan 8.290 nan 0.000 0.579 269 L N 1.224 122.576 121.223 0.214 0.000 2.270 269 L HA 0.460 4.787 4.340 -0.021 0.000 0.286 269 L C 1.363 178.270 176.870 0.062 0.000 1.059 269 L CA 0.411 55.245 54.840 -0.010 0.000 0.839 269 L CB 0.435 42.471 42.059 -0.038 0.000 1.221 269 L HN 1.048 nan 8.230 nan 0.000 0.431 270 G N 2.079 110.894 108.800 0.025 0.000 3.909 270 G HA2 -0.301 3.646 3.960 -0.021 0.000 0.218 270 G HA3 -0.301 3.646 3.960 -0.021 0.000 0.218 270 G C 0.025 174.988 174.900 0.105 0.000 1.404 270 G CA -0.212 44.906 45.100 0.029 0.000 0.905 270 G HN 0.510 nan 8.290 nan 0.000 0.589 271 W N 2.154 123.580 121.300 0.211 0.000 2.137 271 W HA 0.579 5.227 4.660 -0.021 0.000 0.344 271 W C 0.801 177.464 176.519 0.241 0.000 1.286 271 W CA -0.118 57.348 57.345 0.202 0.000 1.240 271 W CB 0.412 29.961 29.460 0.149 0.000 1.141 271 W HN 0.316 nan 8.180 nan 0.000 0.579 272 E N 1.504 122.052 120.200 0.580 0.000 2.266 272 E HA 0.538 4.875 4.350 -0.021 0.000 0.268 272 E C -0.880 176.014 176.600 0.489 0.000 0.879 272 E CA -1.046 55.655 56.400 0.501 0.000 0.762 272 E CB 1.903 31.883 29.700 0.467 0.000 1.199 272 E HN 0.208 nan 8.360 nan 0.000 0.422 273 M N 1.936 121.781 119.600 0.409 0.000 2.619 273 M HA 0.541 5.008 4.480 -0.021 0.000 0.297 273 M C -1.526 175.010 176.300 0.395 0.000 1.229 273 M CA -0.458 55.034 55.300 0.320 0.000 0.860 273 M CB 1.793 34.512 32.600 0.197 0.000 1.741 273 M HN 0.300 nan 8.290 nan 0.000 0.462 274 L N 0.067 121.497 121.223 0.345 0.000 2.424 274 L HA 0.523 4.850 4.340 -0.021 0.000 0.258 274 L C -0.976 176.086 176.870 0.320 0.000 0.995 274 L CA -0.666 54.374 54.840 0.334 0.000 0.821 274 L CB 2.095 44.260 42.059 0.176 0.000 1.383 274 L HN 0.548 nan 8.230 nan 0.000 0.410 275 D N 0.761 121.340 120.400 0.298 0.000 2.382 275 D HA 0.031 4.659 4.640 -0.021 0.000 0.245 275 D C -1.031 175.422 176.300 0.255 0.000 1.120 275 D CA 0.172 54.307 54.000 0.226 0.000 0.890 275 D CB 1.242 42.145 40.800 0.172 0.000 1.201 275 D HN 0.337 nan 8.370 nan 0.000 0.433 276 W N 4.010 125.368 121.300 0.097 0.000 2.551 276 W HA 0.293 4.940 4.660 -0.022 0.000 0.330 276 W C -2.267 174.302 176.519 0.084 0.000 1.063 276 W CA -1.822 55.597 57.345 0.122 0.000 1.222 276 W CB 1.300 30.841 29.460 0.136 0.000 1.349 276 W HN 0.237 nan 8.180 nan 0.000 0.536 277 P HA 0.155 nan 4.420 nan 0.000 0.272 277 P C -1.125 175.808 177.300 -0.611 0.000 1.223 277 P CA -0.096 62.133 63.100 -1.451 0.000 0.784 277 P CB 2.143 33.267 31.700 -0.960 0.000 0.923 278 V N 1.626 121.227 119.914 -0.522 0.000 2.914 278 V HA 0.349 4.456 4.120 -0.021 0.000 0.314 278 V C -0.336 175.514 176.094 -0.407 0.000 1.084 278 V CA -1.061 61.079 62.300 -0.267 0.000 0.963 278 V CB 1.966 33.715 31.823 -0.123 0.000 1.025 278 V HN 0.659 nan 8.190 nan 0.000 0.432 279 N N 5.588 124.060 118.700 -0.379 0.000 2.442 279 N HA 0.302 5.029 4.740 -0.021 0.000 0.265 279 N C -1.909 173.220 175.510 -0.635 0.000 1.138 279 N CA -1.559 51.223 53.050 -0.447 0.000 0.956 279 N CB 1.742 40.056 38.487 -0.290 0.000 1.067 279 N HN 0.370 nan 8.380 nan 0.000 0.474 280 P HA -0.108 nan 4.420 nan 0.000 0.216 280 P C 0.562 177.520 177.300 -0.570 0.000 1.153 280 P CA 1.118 63.570 63.100 -1.079 0.000 0.858 280 P CB 0.374 31.204 31.700 -1.450 0.000 0.789 281 D N -1.455 118.692 120.400 -0.422 0.000 2.264 281 D HA -0.077 4.550 4.640 -0.021 0.000 0.208 281 D C 2.068 178.237 176.300 -0.218 0.000 0.966 281 D CA 0.892 54.733 54.000 -0.265 0.000 0.864 281 D CB -0.416 40.260 40.800 -0.206 0.000 0.933 281 D HN 0.050 nan 8.370 nan 0.000 0.499 282 S N -0.232 115.318 115.700 -0.250 0.000 2.399 282 S HA -0.095 4.363 4.470 -0.021 0.000 0.231 282 S C 1.972 176.476 174.600 -0.159 0.000 1.022 282 S CA 0.800 58.887 58.200 -0.188 0.000 0.983 282 S CB 0.011 63.091 63.200 -0.200 0.000 0.803 282 S HN 0.291 nan 8.310 nan 0.000 0.480 283 I N -0.163 120.274 120.570 -0.220 0.000 2.594 283 I HA 0.053 4.210 4.170 -0.021 0.000 0.237 283 I C 2.042 178.119 176.117 -0.067 0.000 1.071 283 I CA 0.373 61.596 61.300 -0.129 0.000 1.427 283 I CB -0.997 36.848 38.000 -0.258 0.000 1.218 283 I HN 0.134 nan 8.210 nan 0.000 0.444 284 I N 1.871 122.363 120.570 -0.131 0.000 2.121 284 I HA -0.402 3.756 4.170 -0.021 0.000 0.243 284 I C 2.598 178.671 176.117 -0.073 0.000 1.047 284 I CA 2.137 63.379 61.300 -0.097 0.000 1.308 284 I CB -0.948 36.971 38.000 -0.135 0.000 1.015 284 I HN 0.482 nan 8.210 nan 0.000 0.410 285 N N 1.350 119.998 118.700 -0.087 0.000 2.135 285 N HA -0.099 4.628 4.740 -0.021 0.000 0.186 285 N C 1.871 177.352 175.510 -0.049 0.000 1.027 285 N CA 1.708 54.717 53.050 -0.067 0.000 0.849 285 N CB -0.363 38.078 38.487 -0.076 0.000 1.002 285 N HN 0.388 nan 8.380 nan 0.000 0.425 286 G N -0.130 108.645 108.800 -0.042 0.000 2.527 286 G HA2 -0.208 3.739 3.960 -0.021 0.000 0.219 286 G HA3 -0.208 3.739 3.960 -0.021 0.000 0.219 286 G C 1.689 176.584 174.900 -0.009 0.000 1.117 286 G CA 1.321 46.408 45.100 -0.020 0.000 0.759 286 G HN 0.542 nan 8.290 nan 0.000 0.556 287 S N -0.208 115.487 115.700 -0.007 0.000 2.388 287 S HA -0.029 4.429 4.470 -0.021 0.000 0.223 287 S C 0.935 175.500 174.600 -0.059 0.000 1.034 287 S CA 0.186 58.374 58.200 -0.020 0.000 0.963 287 S CB -0.225 62.968 63.200 -0.010 0.000 0.827 287 S HN 0.294 nan 8.310 nan 0.000 0.481 288 D N 2.275 122.643 120.400 -0.054 0.000 2.836 288 D HA -0.115 4.512 4.640 -0.021 0.000 0.220 288 D C 0.568 176.831 176.300 -0.062 0.000 1.094 288 D CA 0.443 54.411 54.000 -0.054 0.000 0.820 288 D CB -0.002 40.773 40.800 -0.042 0.000 1.171 288 D HN 0.427 nan 8.370 nan 0.000 0.507 289 N N 2.574 121.237 118.700 -0.062 0.000 2.513 289 N HA -0.142 4.585 4.740 -0.021 0.000 0.187 289 N C -0.076 175.405 175.510 -0.048 0.000 1.056 289 N CA 0.700 53.710 53.050 -0.067 0.000 0.907 289 N CB 0.209 38.666 38.487 -0.049 0.000 0.954 289 N HN 0.253 nan 8.380 nan 0.000 0.445 290 K N 0.796 121.174 120.400 -0.037 0.000 2.404 290 K HA 0.299 4.607 4.320 -0.021 0.000 0.257 290 K C 0.161 176.741 176.600 -0.033 0.000 1.026 290 K CA -0.152 56.120 56.287 -0.026 0.000 0.951 290 K CB 0.914 33.405 32.500 -0.015 0.000 1.203 290 K HN 0.036 nan 8.250 nan 0.000 0.446 291 I N 0.717 121.266 120.570 -0.036 0.000 3.970 291 I HA -0.248 3.909 4.170 -0.021 0.000 0.274 291 I C 1.141 177.225 176.117 -0.055 0.000 0.456 291 I CA 0.798 62.075 61.300 -0.039 0.000 1.227 291 I CB -0.903 37.074 38.000 -0.039 0.000 3.759 291 I HN 0.559 nan 8.210 nan 0.000 1.096 292 A N 0.906 123.676 122.820 -0.083 0.000 2.016 292 A HA 0.220 4.527 4.320 -0.021 0.000 0.217 292 A C 1.670 179.143 177.584 -0.185 0.000 1.162 292 A CA 1.261 53.210 52.037 -0.147 0.000 0.662 292 A CB -0.149 18.732 19.000 -0.199 0.000 0.812 292 A HN 0.475 nan 8.150 nan 0.000 0.450 293 L N -1.260 119.900 121.223 -0.105 0.000 2.808 293 L HA 0.400 4.727 4.340 -0.021 0.000 0.246 293 L C 0.998 177.886 176.870 0.030 0.000 1.153 293 L CA -0.128 54.696 54.840 -0.028 0.000 0.956 293 L CB -0.166 41.905 42.059 0.019 0.000 1.270 293 L HN 0.257 nan 8.230 nan 0.000 0.528 294 A N 1.001 123.826 122.820 0.009 0.000 2.296 294 A HA 0.691 4.998 4.320 -0.021 0.000 0.264 294 A C 0.507 178.107 177.584 0.028 0.000 1.097 294 A CA 0.022 52.076 52.037 0.028 0.000 0.811 294 A CB 0.386 19.391 19.000 0.008 0.000 1.072 294 A HN 0.224 nan 8.150 nan 0.000 0.495 295 A N 1.427 124.271 122.820 0.041 0.000 2.404 295 A HA 0.565 4.873 4.320 -0.021 0.000 0.273 295 A C 0.289 177.804 177.584 -0.115 0.000 1.144 295 A CA -0.276 51.745 52.037 -0.026 0.000 0.806 295 A CB -0.013 19.007 19.000 0.033 0.000 1.080 295 A HN 0.669 nan 8.150 nan 0.000 0.509 296 R N 2.773 123.174 120.500 -0.166 0.000 2.628 296 R HA 0.453 4.780 4.340 -0.021 0.000 0.288 296 R C -3.197 172.971 176.300 -0.221 0.000 0.980 296 R CA -1.958 54.049 56.100 -0.155 0.000 0.891 296 R CB 2.020 32.268 30.300 -0.087 0.000 1.188 296 R HN 0.404 nan 8.270 nan 0.000 0.450 297 P HA 0.118 nan 4.420 nan 0.000 0.275 297 P C -0.352 176.874 177.300 -0.123 0.000 1.228 297 P CA -0.446 62.530 63.100 -0.207 0.000 0.786 297 P CB 0.812 32.418 31.700 -0.158 0.000 0.927 298 V N -0.605 119.242 119.914 -0.111 0.000 2.960 298 V HA 0.649 4.756 4.120 -0.021 0.000 0.315 298 V C -0.404 175.785 176.094 0.158 0.000 1.087 298 V CA -1.070 61.235 62.300 0.008 0.000 0.982 298 V CB 2.123 33.888 31.823 -0.097 0.000 1.039 298 V HN 0.442 nan 8.190 nan 0.000 0.437 299 K N 2.419 122.978 120.400 0.265 0.000 2.274 299 K HA 0.790 5.097 4.320 -0.021 0.000 0.262 299 K C -0.218 176.635 176.600 0.421 0.000 0.961 299 K CA -0.343 56.109 56.287 0.275 0.000 0.833 299 K CB 1.792 34.386 32.500 0.156 0.000 1.102 299 K HN 1.209 nan 8.250 nan 0.000 0.436 300 A N 5.368 128.411 122.820 0.372 0.000 2.388 300 A HA 0.345 4.652 4.320 -0.021 0.000 0.257 300 A C -0.048 177.520 177.584 -0.026 0.000 1.095 300 A CA -0.510 51.550 52.037 0.038 0.000 0.791 300 A CB 0.049 18.989 19.000 -0.101 0.000 1.029 300 A HN 0.801 nan 8.150 nan 0.000 0.489 301 I N 2.739 123.227 120.570 -0.136 0.000 2.307 301 I HA 0.223 4.380 4.170 -0.021 0.000 0.289 301 I C -0.306 175.730 176.117 -0.135 0.000 1.021 301 I CA 0.008 61.262 61.300 -0.076 0.000 1.224 301 I CB 1.220 39.190 38.000 -0.051 0.000 1.376 301 I HN 0.579 nan 8.210 nan 0.000 0.470 302 T N 6.147 120.652 114.554 -0.080 0.000 2.842 302 T HA 0.447 4.784 4.350 -0.021 0.000 0.308 302 T C -1.763 172.906 174.700 -0.051 0.000 1.041 302 T CA -1.068 60.989 62.100 -0.072 0.000 0.964 302 T CB 0.968 69.811 68.868 -0.043 0.000 0.972 302 T HN 0.438 nan 8.240 nan 0.000 0.460 303 P HA 0.520 nan 4.420 nan 0.000 0.280 303 P C -3.026 174.196 177.300 -0.130 0.000 1.272 303 P CA -2.106 60.943 63.100 -0.084 0.000 0.819 303 P CB -0.093 31.570 31.700 -0.062 0.000 1.122 304 P HA 0.053 nan 4.420 nan 0.000 0.264 304 P C -0.307 176.833 177.300 -0.267 0.000 1.183 304 P CA 0.437 63.344 63.100 -0.321 0.000 0.763 304 P CB -0.080 31.290 31.700 -0.549 0.000 0.807 305 T N 5.650 120.047 114.554 -0.262 0.000 2.851 305 T HA 0.253 4.590 4.350 -0.021 0.000 0.298 305 T C -2.084 172.482 174.700 -0.224 0.000 0.977 305 T CA -1.053 60.921 62.100 -0.210 0.000 1.126 305 T CB -0.100 68.638 68.868 -0.216 0.000 0.916 305 T HN 0.273 nan 8.240 nan 0.000 0.529 306 P HA 0.242 nan 4.420 nan 0.000 0.272 306 P C -0.559 176.664 177.300 -0.128 0.000 1.240 306 P CA -0.592 62.429 63.100 -0.132 0.000 0.791 306 P CB 0.270 31.915 31.700 -0.091 0.000 0.978 307 A N 1.697 124.457 122.820 -0.100 0.000 2.572 307 A HA 0.034 4.342 4.320 -0.021 0.000 0.256 307 A C 0.201 177.725 177.584 -0.100 0.000 1.041 307 A CA 0.309 52.290 52.037 -0.094 0.000 0.790 307 A CB -1.004 17.953 19.000 -0.072 0.000 0.947 307 A HN 0.363 nan 8.150 nan 0.000 0.518 308 V N 5.854 125.699 119.914 -0.116 0.000 2.408 308 V HA 0.125 4.232 4.120 -0.021 0.000 0.267 308 V C 1.715 177.761 176.094 -0.079 0.000 1.047 308 V CA -0.180 62.060 62.300 -0.101 0.000 0.937 308 V CB 0.898 32.645 31.823 -0.126 0.000 0.999 308 V HN 1.084 nan 8.190 nan 0.000 0.472 309 R N 3.733 124.197 120.500 -0.061 0.000 2.120 309 R HA -0.048 4.279 4.340 -0.021 0.000 0.234 309 R C 1.181 177.460 176.300 -0.035 0.000 1.123 309 R CA 1.294 57.360 56.100 -0.057 0.000 0.975 309 R CB 0.064 30.336 30.300 -0.048 0.000 0.866 309 R HN 0.779 nan 8.270 nan 0.000 0.446 310 A N 1.022 123.848 122.820 0.012 0.000 3.126 310 A HA 0.316 4.623 4.320 -0.021 0.000 0.268 310 A C -0.779 176.898 177.584 0.155 0.000 1.605 310 A CA -0.173 51.928 52.037 0.107 0.000 1.305 310 A CB 0.196 19.278 19.000 0.137 0.000 1.160 310 A HN 0.133 nan 8.150 nan 0.000 0.609 311 S N 0.439 116.196 115.700 0.096 0.000 2.618 311 S HA 0.596 5.053 4.470 -0.021 0.000 0.277 311 S C -1.102 173.566 174.600 0.112 0.000 1.138 311 S CA -0.665 57.616 58.200 0.135 0.000 0.844 311 S CB 1.253 64.451 63.200 -0.003 0.000 1.127 311 S HN 0.687 nan 8.310 nan 0.000 0.474 312 W N 2.957 124.262 121.300 0.008 0.000 2.294 312 W HA 0.593 5.240 4.660 -0.022 0.000 0.314 312 W C -1.944 174.420 176.519 -0.258 0.000 1.044 312 W CA -0.616 56.674 57.345 -0.092 0.000 1.284 312 W CB 0.632 30.166 29.460 0.122 0.000 1.231 312 W HN 0.398 nan 8.180 nan 0.000 0.419 313 V N 7.624 127.083 119.914 -0.759 0.000 2.435 313 V HA 0.454 4.562 4.120 -0.021 0.000 0.290 313 V C 0.013 175.684 176.094 -0.705 0.000 1.030 313 V CA -0.280 61.543 62.300 -0.794 0.000 0.881 313 V CB 1.171 32.058 31.823 -1.560 0.000 0.983 313 V HN 0.694 nan 8.190 nan 0.000 0.445 314 H N 2.488 121.462 119.070 -0.161 0.000 2.918 314 H HA 0.881 5.425 4.556 -0.021 0.000 0.303 314 H C -1.220 174.344 175.328 0.393 0.000 1.380 314 H CA -1.297 54.783 56.048 0.053 0.000 1.134 314 H CB 2.107 31.898 29.762 0.047 0.000 1.842 314 H HN 0.469 nan 8.280 nan 0.000 0.533 315 K N 0.948 121.438 120.400 0.149 0.000 2.583 315 K HA 0.285 4.592 4.320 -0.021 0.000 0.260 315 K C -1.512 175.154 176.600 0.109 0.000 0.931 315 K CA -0.059 56.270 56.287 0.069 0.000 0.849 315 K CB 2.231 34.786 32.500 0.092 0.000 1.347 315 K HN 0.933 nan 8.250 nan 0.000 0.425 316 T N -0.234 114.405 114.554 0.142 0.000 2.944 316 T HA 0.902 5.240 4.350 -0.021 0.000 0.284 316 T C 0.180 174.976 174.700 0.160 0.000 1.010 316 T CA -0.537 61.704 62.100 0.236 0.000 1.025 316 T CB 1.716 70.664 68.868 0.133 0.000 1.079 316 T HN 0.663 nan 8.240 nan 0.000 0.516 317 G N -0.767 108.132 108.800 0.166 0.000 2.742 317 G HA2 0.757 4.704 3.960 -0.021 0.000 0.296 317 G HA3 0.757 4.704 3.960 -0.021 0.000 0.296 317 G C -1.580 173.414 174.900 0.156 0.000 1.436 317 G CA -0.553 44.648 45.100 0.168 0.000 0.928 317 G HN 1.177 nan 8.290 nan 0.000 0.520 318 A N 0.371 123.284 122.820 0.155 0.000 2.589 318 A HA 0.970 5.277 4.320 -0.021 0.000 0.296 318 A C -0.049 177.634 177.584 0.164 0.000 1.062 318 A CA 0.137 52.271 52.037 0.162 0.000 0.686 318 A CB 1.584 20.642 19.000 0.096 0.000 1.282 318 A HN 1.880 nan 8.150 nan 0.000 0.404 319 T N -1.807 112.884 114.554 0.228 0.000 2.724 319 T HA 0.656 4.994 4.350 -0.021 0.000 0.274 319 T C 1.362 176.185 174.700 0.205 0.000 0.984 319 T CA 0.136 62.359 62.100 0.205 0.000 1.024 319 T CB 0.914 69.963 68.868 0.302 0.000 1.320 319 T HN 1.570 nan 8.240 nan 0.000 0.555 320 G N -0.162 108.747 108.800 0.183 0.000 2.440 320 G HA2 0.136 4.084 3.960 -0.021 0.000 0.218 320 G HA3 0.136 4.084 3.960 -0.021 0.000 0.218 320 G C 1.166 176.160 174.900 0.156 0.000 1.154 320 G CA 0.686 45.873 45.100 0.144 0.000 0.767 320 G HN 1.171 nan 8.290 nan 0.000 0.552 321 G N -1.331 107.597 108.800 0.214 0.000 3.324 321 G HA2 0.482 4.429 3.960 -0.021 0.000 0.251 321 G HA3 0.482 4.429 3.960 -0.021 0.000 0.251 321 G C -0.442 174.421 174.900 -0.063 0.000 1.072 321 G CA -0.501 44.631 45.100 0.053 0.000 0.787 321 G HN 0.203 nan 8.290 nan 0.000 0.537 322 F N -0.266 119.829 119.950 0.242 0.000 2.576 322 F HA 0.682 5.196 4.527 -0.022 0.000 0.313 322 F C 0.343 176.281 175.800 0.230 0.000 1.078 322 F CA -1.012 57.160 58.000 0.287 0.000 0.921 322 F CB 2.651 41.841 39.000 0.317 0.000 1.232 322 F HN 0.008 nan 8.300 nan 0.000 0.459 323 G N 0.904 109.978 108.800 0.456 0.000 2.723 323 G HA2 0.556 4.503 3.960 -0.021 0.000 0.295 323 G HA3 0.556 4.503 3.960 -0.021 0.000 0.295 323 G C -1.441 173.624 174.900 0.274 0.000 1.464 323 G CA -0.687 44.568 45.100 0.258 0.000 1.012 323 G HN 0.737 nan 8.290 nan 0.000 0.522 324 S N 1.014 116.848 115.700 0.223 0.000 2.634 324 S HA 0.871 5.328 4.470 -0.021 0.000 0.296 324 S C -1.435 173.346 174.600 0.301 0.000 1.104 324 S CA -0.980 57.365 58.200 0.240 0.000 0.920 324 S CB 2.475 65.805 63.200 0.217 0.000 1.111 324 S HN 1.070 nan 8.310 nan 0.000 0.493 325 Y N -0.210 120.184 120.300 0.157 0.000 2.521 325 Y HA 0.629 5.166 4.550 -0.022 0.000 0.332 325 Y C -1.982 174.055 175.900 0.229 0.000 1.121 325 Y CA -0.857 57.351 58.100 0.180 0.000 1.037 325 Y CB 1.581 40.148 38.460 0.178 0.000 1.330 325 Y HN 0.790 nan 8.280 nan 0.000 0.452 326 V N 3.859 123.526 119.914 -0.412 0.000 2.808 326 V HA 0.981 5.088 4.120 -0.021 0.000 0.308 326 V C -1.028 174.827 176.094 -0.398 0.000 1.099 326 V CA -0.269 61.936 62.300 -0.158 0.000 0.920 326 V CB 1.618 33.590 31.823 0.248 0.000 1.014 326 V HN 1.057 nan 8.190 nan 0.000 0.425 327 A N 4.469 127.116 122.820 -0.288 0.000 2.566 327 A HA 1.005 5.312 4.320 -0.021 0.000 0.297 327 A C -1.382 175.949 177.584 -0.422 0.000 1.059 327 A CA -0.511 51.209 52.037 -0.530 0.000 0.691 327 A CB 1.712 20.287 19.000 -0.707 0.000 1.282 327 A HN 1.608 nan 8.150 nan 0.000 0.401 328 F N -0.505 118.989 119.950 -0.760 0.000 2.678 328 F HA 0.820 5.334 4.527 -0.022 0.000 0.308 328 F C -1.458 173.968 175.800 -0.624 0.000 1.118 328 F CA -1.165 56.460 58.000 -0.625 0.000 0.959 328 F CB 1.237 39.939 39.000 -0.496 0.000 1.305 328 F HN 0.306 nan 8.300 nan 0.000 0.443 329 I N 3.100 123.444 120.570 -0.377 0.000 2.405 329 I HA 0.348 4.506 4.170 -0.021 0.000 0.280 329 I C -2.045 173.932 176.117 -0.233 0.000 1.027 329 I CA -1.931 59.114 61.300 -0.426 0.000 1.161 329 I CB 1.718 39.302 38.000 -0.695 0.000 1.300 329 I HN 0.394 nan 8.210 nan 0.000 0.463 330 P HA -0.221 nan 4.420 nan 0.000 0.213 330 P C 1.422 178.645 177.300 -0.129 0.000 1.170 330 P CA 1.236 64.281 63.100 -0.093 0.000 0.902 330 P CB 0.257 31.914 31.700 -0.072 0.000 0.789 331 E N -0.397 119.728 120.200 -0.125 0.000 2.208 331 E HA -0.250 4.087 4.350 -0.021 0.000 0.202 331 E C 0.990 177.517 176.600 -0.121 0.000 1.014 331 E CA 1.213 57.555 56.400 -0.097 0.000 0.819 331 E CB -0.017 29.653 29.700 -0.049 0.000 0.735 331 E HN 0.171 nan 8.360 nan 0.000 0.469 332 K N -0.279 120.008 120.400 -0.190 0.000 2.358 332 K HA 0.081 4.388 4.320 -0.021 0.000 0.200 332 K C -0.114 176.363 176.600 -0.204 0.000 1.030 332 K CA 0.033 56.203 56.287 -0.194 0.000 1.097 332 K CB 0.731 33.081 32.500 -0.252 0.000 0.862 332 K HN 0.103 nan 8.250 nan 0.000 0.534 333 E N 0.881 120.969 120.200 -0.187 0.000 2.389 333 E HA -0.217 4.120 4.350 -0.021 0.000 0.243 333 E C -1.051 175.435 176.600 -0.190 0.000 1.154 333 E CA 0.188 56.479 56.400 -0.182 0.000 0.723 333 E CB -0.952 28.641 29.700 -0.178 0.000 1.261 333 E HN 0.018 nan 8.360 nan 0.000 0.390 334 L N -0.194 120.916 121.223 -0.190 0.000 2.386 334 L HA 0.819 5.147 4.340 -0.021 0.000 0.271 334 L C 0.225 177.010 176.870 -0.143 0.000 0.993 334 L CA 0.252 54.997 54.840 -0.158 0.000 0.819 334 L CB 2.001 43.945 42.059 -0.192 0.000 1.294 334 L HN 0.077 nan 8.230 nan 0.000 0.414 335 G N 3.789 112.537 108.800 -0.086 0.000 2.649 335 G HA2 0.675 4.622 3.960 -0.021 0.000 0.290 335 G HA3 0.675 4.622 3.960 -0.021 0.000 0.290 335 G C -2.155 172.736 174.900 -0.016 0.000 1.426 335 G CA -0.415 44.640 45.100 -0.074 0.000 0.794 335 G HN 0.752 nan 8.290 nan 0.000 0.483 336 I N -0.689 119.881 120.570 0.000 0.000 2.918 336 I HA 0.684 4.841 4.170 -0.021 0.000 0.301 336 I C -1.496 174.680 176.117 0.097 0.000 1.312 336 I CA -0.959 60.386 61.300 0.074 0.000 1.007 336 I CB 2.350 40.415 38.000 0.109 0.000 1.281 336 I HN 0.438 nan 8.210 nan 0.000 0.440 337 V N 6.662 126.669 119.914 0.155 0.000 2.686 337 V HA 0.549 4.656 4.120 -0.021 0.000 0.306 337 V C -0.669 175.552 176.094 0.211 0.000 1.065 337 V CA -0.464 61.943 62.300 0.178 0.000 0.894 337 V CB 1.950 33.886 31.823 0.189 0.000 1.004 337 V HN 0.630 nan 8.190 nan 0.000 0.424 338 M N 6.050 125.784 119.600 0.225 0.000 2.204 338 M HA 0.645 5.112 4.480 -0.021 0.000 0.293 338 M C -1.483 174.909 176.300 0.152 0.000 0.994 338 M CA -0.284 55.148 55.300 0.219 0.000 0.925 338 M CB 2.178 34.954 32.600 0.293 0.000 1.577 338 M HN 0.372 nan 8.290 nan 0.000 0.439 339 L N 2.724 123.940 121.223 -0.011 0.000 2.356 339 L HA 1.002 5.329 4.340 -0.021 0.000 0.277 339 L C -0.512 176.191 176.870 -0.277 0.000 0.996 339 L CA -0.709 53.974 54.840 -0.262 0.000 0.822 339 L CB 1.909 43.495 42.059 -0.789 0.000 1.256 339 L HN 0.839 nan 8.230 nan 0.000 0.413 340 A N 1.954 124.850 122.820 0.127 0.000 2.498 340 A HA 0.629 4.936 4.320 -0.021 0.000 0.298 340 A C -0.681 177.270 177.584 0.611 0.000 1.075 340 A CA -0.757 51.502 52.037 0.369 0.000 0.714 340 A CB 1.417 20.637 19.000 0.367 0.000 1.299 340 A HN 0.750 nan 8.150 nan 0.000 0.407 341 N N 1.543 120.557 118.700 0.522 0.000 2.994 341 N HA 0.223 4.950 4.740 -0.021 0.000 0.306 341 N C -0.643 174.885 175.510 0.031 0.000 1.348 341 N CA -0.122 52.939 53.050 0.019 0.000 1.109 341 N CB 0.432 38.938 38.487 0.032 0.000 1.415 341 N HN 0.533 nan 8.380 nan 0.000 0.529 342 K N 0.618 121.120 120.400 0.169 0.000 2.570 342 K HA 0.141 4.448 4.320 -0.021 0.000 0.256 342 K C -1.806 174.993 176.600 0.332 0.000 0.939 342 K CA -0.564 55.850 56.287 0.212 0.000 0.833 342 K CB 1.470 34.090 32.500 0.200 0.000 1.318 342 K HN 0.128 nan 8.250 nan 0.000 0.433 343 N N 4.025 122.875 118.700 0.250 0.000 2.521 343 N HA 0.135 4.862 4.740 -0.021 0.000 0.236 343 N C -1.208 174.427 175.510 0.208 0.000 1.067 343 N CA -0.040 53.134 53.050 0.207 0.000 0.939 343 N CB -0.071 38.505 38.487 0.147 0.000 1.201 343 N HN 0.396 nan 8.380 nan 0.000 0.511 344 Y N 1.486 121.834 120.300 0.079 0.000 2.602 344 Y HA 0.767 5.303 4.550 -0.022 0.000 0.330 344 Y C -2.496 173.427 175.900 0.038 0.000 1.114 344 Y CA -3.367 54.763 58.100 0.050 0.000 1.182 344 Y CB -0.716 37.768 38.460 0.041 0.000 1.305 344 Y HN 0.270 nan 8.280 nan 0.000 0.502 345 P HA -0.053 nan 4.420 nan 0.000 0.259 345 P C 0.127 177.319 177.300 -0.179 0.000 1.163 345 P CA 0.604 63.677 63.100 -0.045 0.000 0.760 345 P CB 0.637 32.367 31.700 0.049 0.000 0.762 346 N N 4.972 123.569 118.700 -0.170 0.000 2.069 346 N HA -0.120 4.608 4.740 -0.021 0.000 0.191 346 N C -0.842 174.575 175.510 -0.155 0.000 1.031 346 N CA 1.751 54.686 53.050 -0.192 0.000 0.852 346 N CB -1.741 36.666 38.487 -0.133 0.000 1.018 346 N HN 0.430 nan 8.380 nan 0.000 0.423 347 P HA -0.067 nan 4.420 nan 0.000 0.218 347 P C 0.980 178.261 177.300 -0.032 0.000 1.148 347 P CA 1.417 64.481 63.100 -0.061 0.000 0.822 347 P CB -0.067 31.608 31.700 -0.041 0.000 0.784 348 A N 0.115 122.942 122.820 0.011 0.000 1.933 348 A HA -0.217 4.090 4.320 -0.021 0.000 0.218 348 A C 2.216 179.869 177.584 0.115 0.000 1.175 348 A CA 1.439 53.535 52.037 0.100 0.000 0.628 348 A CB -0.922 18.218 19.000 0.233 0.000 0.814 348 A HN 0.127 nan 8.150 nan 0.000 0.444 349 R N -0.584 119.927 120.500 0.019 0.000 2.062 349 R HA -0.059 4.268 4.340 -0.021 0.000 0.231 349 R C 1.974 178.181 176.300 -0.154 0.000 1.136 349 R CA 1.477 57.551 56.100 -0.045 0.000 0.948 349 R CB -0.880 29.252 30.300 -0.280 0.000 0.845 349 R HN 0.336 nan 8.270 nan 0.000 0.430 350 V N 2.032 121.762 119.914 -0.306 0.000 2.392 350 V HA -0.247 3.860 4.120 -0.021 0.000 0.249 350 V C 2.076 178.247 176.094 0.127 0.000 1.059 350 V CA 1.929 64.150 62.300 -0.131 0.000 1.051 350 V CB -0.556 31.218 31.823 -0.081 0.000 0.658 350 V HN 0.315 nan 8.190 nan 0.000 0.455 351 D N 0.195 120.643 120.400 0.079 0.000 2.097 351 D HA -0.128 4.500 4.640 -0.021 0.000 0.195 351 D C 2.217 178.654 176.300 0.228 0.000 0.989 351 D CA 1.649 55.733 54.000 0.139 0.000 0.827 351 D CB 0.058 40.903 40.800 0.076 0.000 0.966 351 D HN 0.393 nan 8.370 nan 0.000 0.456 352 A N 0.993 123.920 122.820 0.177 0.000 1.877 352 A HA -0.037 4.271 4.320 -0.021 0.000 0.216 352 A C 2.413 180.139 177.584 0.237 0.000 1.186 352 A CA 2.486 54.626 52.037 0.171 0.000 0.620 352 A CB -0.940 18.137 19.000 0.129 0.000 0.822 352 A HN 0.287 nan 8.150 nan 0.000 0.443 353 A N -0.982 122.037 122.820 0.331 0.000 1.883 353 A HA -0.226 4.081 4.320 -0.021 0.000 0.217 353 A C 2.133 180.013 177.584 0.493 0.000 1.186 353 A CA 1.599 53.908 52.037 0.453 0.000 0.624 353 A CB -1.024 18.423 19.000 0.745 0.000 0.822 353 A HN 0.901 nan 8.150 nan 0.000 0.444 354 W N 0.578 122.111 121.300 0.389 0.000 2.355 354 W HA -0.197 4.450 4.660 -0.022 0.000 0.309 354 W C 1.987 178.641 176.519 0.225 0.000 1.206 354 W CA 2.137 59.673 57.345 0.318 0.000 1.284 354 W CB -0.479 29.042 29.460 0.101 0.000 1.145 354 W HN 0.395 nan 8.180 nan 0.000 0.502 355 Q N 0.748 120.668 119.800 0.199 0.000 2.045 355 Q HA -0.241 4.086 4.340 -0.021 0.000 0.206 355 Q C 2.304 178.277 176.000 -0.045 0.000 0.991 355 Q CA 2.469 58.309 55.803 0.061 0.000 0.851 355 Q CB -1.051 27.768 28.738 0.135 0.000 0.911 355 Q HN 0.479 nan 8.270 nan 0.000 0.418 356 I N 0.478 121.064 120.570 0.026 0.000 2.127 356 I HA -0.303 3.854 4.170 -0.021 0.000 0.241 356 I C 2.375 178.478 176.117 -0.024 0.000 1.075 356 I CA 1.081 62.383 61.300 0.003 0.000 1.334 356 I CB -0.345 37.675 38.000 0.033 0.000 1.040 356 I HN 0.129 nan 8.210 nan 0.000 0.405 357 L N 0.203 121.423 121.223 -0.006 0.000 2.141 357 L HA -0.202 4.125 4.340 -0.021 0.000 0.209 357 L C 2.381 179.173 176.870 -0.131 0.000 1.094 357 L CA 1.306 56.125 54.840 -0.036 0.000 0.763 357 L CB -0.913 41.156 42.059 0.018 0.000 0.908 357 L HN 0.470 nan 8.230 nan 0.000 0.437 358 N N 0.916 119.409 118.700 -0.345 0.000 2.166 358 N HA -0.174 4.553 4.740 -0.021 0.000 0.186 358 N C 1.752 177.164 175.510 -0.163 0.000 1.019 358 N CA 1.299 54.090 53.050 -0.431 0.000 0.856 358 N CB 0.187 38.092 38.487 -0.970 0.000 0.993 358 N HN 0.297 nan 8.380 nan 0.000 0.426 359 A N 0.663 123.410 122.820 -0.122 0.000 2.168 359 A HA 0.055 4.362 4.320 -0.021 0.000 0.215 359 A C 1.689 179.273 177.584 0.000 0.000 1.152 359 A CA 0.481 52.492 52.037 -0.044 0.000 0.716 359 A CB -0.150 18.827 19.000 -0.038 0.000 0.794 359 A HN 0.350 nan 8.150 nan 0.000 0.465 360 L N -0.932 120.305 121.223 0.023 0.000 2.818 360 L HA 0.467 4.794 4.340 -0.021 0.000 0.243 360 L C 0.789 177.730 176.870 0.118 0.000 1.185 360 L CA 0.350 55.262 54.840 0.120 0.000 0.988 360 L CB -0.726 41.459 42.059 0.211 0.000 1.292 360 L HN 0.634 nan 8.230 nan 0.000 0.519 361 Q N 0.000 119.840 119.800 0.066 0.000 2.315 361 Q HA 0.000 4.327 4.340 -0.021 0.000 0.214 361 Q CA 0.000 55.849 55.803 0.076 0.000 1.022 361 Q CB 0.000 28.770 28.738 0.053 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481