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 2cet_1_A DATA FIRST_RESID 3 DATA SEQUENCE VKKFPEGFLW GVATASYQIE GSPLADGAGM SIWHTFSHTP GNVKNGDTGD DATA SEQUENCE VACDHYNRWK EDIEIIEKLG VKAYRFSISW PRILPEGTGR VNQKGLDFYN DATA SEQUENCE RIIDTLLEKG ITPFVTIYHW DLPFALQLKG GWANREIADW FAEYSRVLFE DATA SEQUENCE NFGDRVKNWI TLNEPWVVAI VGHLYGVHAP GMRDIYVAFR AVHNLLRAHA DATA SEQUENCE RAVKVFRETV KDGKIGIVFN NGYFEPASEX XXXXRAVRFM HQFNNYPLFL DATA SEQUENCE NPIYRGDYPE LVLEFAREYL PENYKDDMSE IQEKIDFVGL NYYSGHLVKF DATA SEQUENCE DPXXXAKVSF VERDLPKTAM GWEIVPEGIY WILKKVKEEY NPPEVYITEN DATA SEQUENCE GAAFDDVVSE DGRVHDQNRI DYLKAHIGQA WKAIQEGVPL KGYFVWSLLD DATA SEQUENCE NFEWAEGYSK RFGIVYVDYS TQKRIVKDSG YWYSNVVKNN GLE 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 175.878 176.094 -0.360 0.000 1.182 3 V CA 0.000 62.183 62.300 -0.195 0.000 1.235 3 V CB 0.000 31.757 31.823 -0.110 0.000 1.184 4 K N 5.867 125.982 120.400 -0.475 0.000 2.575 4 K HA 0.515 4.846 4.320 0.019 0.000 0.236 4 K C -0.718 175.678 176.600 -0.341 0.000 0.976 4 K CA -0.577 55.124 56.287 -0.977 0.000 0.985 4 K CB 1.825 33.341 32.500 -1.640 0.000 1.198 4 K HN 0.590 nan 8.250 nan 0.000 0.464 5 K N 2.198 122.626 120.400 0.046 0.000 2.172 5 K HA 0.327 4.658 4.320 0.019 0.000 0.276 5 K C -0.450 176.404 176.600 0.424 0.000 1.013 5 K CA -0.480 55.967 56.287 0.267 0.000 0.913 5 K CB 0.698 33.302 32.500 0.173 0.000 1.055 5 K HN 0.177 nan 8.250 nan 0.000 0.461 6 F N 2.617 122.674 119.950 0.179 0.000 2.380 6 F HA 0.304 4.842 4.527 0.019 0.000 0.321 6 F C -1.574 174.232 175.800 0.011 0.000 1.103 6 F CA -2.201 55.796 58.000 -0.005 0.000 1.067 6 F CB 0.087 38.859 39.000 -0.380 0.000 1.265 6 F HN 0.378 nan 8.300 nan 0.000 0.517 7 P HA -0.007 nan 4.420 nan 0.000 0.268 7 P C -0.883 176.530 177.300 0.190 0.000 1.208 7 P CA -0.209 62.961 63.100 0.117 0.000 0.777 7 P CB 0.390 32.154 31.700 0.107 0.000 0.875 8 E N 1.432 121.714 120.200 0.138 0.000 2.465 8 E HA 0.223 4.584 4.350 0.019 0.000 0.260 8 E C 1.283 177.972 176.600 0.149 0.000 0.980 8 E CA 1.535 58.016 56.400 0.136 0.000 0.927 8 E CB -0.778 28.977 29.700 0.093 0.000 0.934 8 E HN 0.697 nan 8.360 nan 0.000 0.459 9 G N 3.868 112.763 108.800 0.158 0.000 2.168 9 G HA2 -0.341 3.630 3.960 0.019 0.000 0.263 9 G HA3 -0.341 3.630 3.960 0.019 0.000 0.263 9 G C 0.166 175.143 174.900 0.129 0.000 0.977 9 G CA 0.067 45.246 45.100 0.132 0.000 0.659 9 G HN 0.576 nan 8.290 nan 0.000 0.533 10 F N 0.348 120.294 119.950 -0.006 0.000 2.623 10 F HA 0.411 4.949 4.527 0.018 0.000 0.383 10 F C 0.660 176.299 175.800 -0.269 0.000 1.077 10 F CA -0.516 57.395 58.000 -0.148 0.000 1.268 10 F CB 0.437 39.328 39.000 -0.182 0.000 1.053 10 F HN 0.020 nan 8.300 nan 0.000 0.571 11 L N 8.137 128.861 121.223 -0.832 0.000 2.302 11 L HA 0.208 4.559 4.340 0.019 0.000 0.285 11 L C -1.321 175.074 176.870 -0.791 0.000 1.090 11 L CA -0.360 54.139 54.840 -0.569 0.000 0.866 11 L CB -0.384 41.474 42.059 -0.336 0.000 1.244 11 L HN 0.514 nan 8.230 nan 0.000 0.435 12 W N 4.149 125.293 121.300 -0.260 0.000 2.311 12 W HA 0.589 5.259 4.660 0.017 0.000 0.310 12 W C 0.846 177.194 176.519 -0.286 0.000 1.274 12 W CA -0.224 57.020 57.345 -0.169 0.000 1.215 12 W CB 1.246 30.629 29.460 -0.127 0.000 1.227 12 W HN 0.651 nan 8.180 nan 0.000 0.523 13 G N 1.112 109.811 108.800 -0.168 0.000 2.730 13 G HA2 0.745 4.717 3.960 0.019 0.000 0.289 13 G HA3 0.745 4.717 3.960 0.019 0.000 0.289 13 G C -1.310 173.699 174.900 0.182 0.000 1.341 13 G CA -0.944 43.954 45.100 -0.336 0.000 0.932 13 G HN 0.631 nan 8.290 nan 0.000 0.481 14 V N -3.179 116.949 119.914 0.357 0.000 2.962 14 V HA 0.975 5.107 4.120 0.019 0.000 0.313 14 V C -0.144 176.225 176.094 0.459 0.000 1.099 14 V CA -0.857 61.646 62.300 0.337 0.000 0.971 14 V CB 1.342 33.299 31.823 0.223 0.000 1.028 14 V HN 1.772 nan 8.190 nan 0.000 0.430 15 A N 2.081 125.047 122.820 0.243 0.000 2.414 15 A HA 1.027 5.358 4.320 0.019 0.000 0.306 15 A C -0.093 177.382 177.584 -0.182 0.000 1.054 15 A CA 0.003 52.132 52.037 0.153 0.000 0.724 15 A CB 1.920 21.086 19.000 0.277 0.000 1.267 15 A HN 1.888 nan 8.150 nan 0.000 0.418 16 T N -1.770 112.722 114.554 -0.104 0.000 2.716 16 T HA 0.910 5.272 4.350 0.019 0.000 0.286 16 T C -0.403 174.278 174.700 -0.031 0.000 1.052 16 T CA -0.218 61.723 62.100 -0.264 0.000 1.024 16 T CB 1.607 70.407 68.868 -0.113 0.000 1.349 16 T HN 2.194 nan 8.240 nan 0.000 0.525 17 A N 0.425 123.201 122.820 -0.073 0.000 2.486 17 A HA 0.705 5.036 4.320 0.019 0.000 0.300 17 A C 1.129 178.702 177.584 -0.019 0.000 1.048 17 A CA -0.129 51.781 52.037 -0.213 0.000 0.696 17 A CB 1.367 19.882 19.000 -0.808 0.000 1.278 17 A HN 1.445 nan 8.150 nan 0.000 0.405 18 S N 1.242 117.020 115.700 0.131 0.000 2.369 18 S HA -0.309 4.172 4.470 0.019 0.000 0.225 18 S C 1.679 176.403 174.600 0.206 0.000 1.043 18 S CA 2.245 60.613 58.200 0.281 0.000 1.074 18 S CB -0.889 62.565 63.200 0.422 0.000 0.962 18 S HN 1.032 nan 8.310 nan 0.000 0.433 19 Y N 2.554 122.914 120.300 0.100 0.000 2.352 19 Y HA -0.009 4.544 4.550 0.005 0.000 0.292 19 Y C 2.623 178.422 175.900 -0.168 0.000 1.136 19 Y CA 1.565 59.677 58.100 0.021 0.000 1.227 19 Y CB -0.398 38.145 38.460 0.138 0.000 0.991 19 Y HN 0.379 nan 8.280 nan 0.000 0.545 20 Q N -0.484 119.179 119.800 -0.228 0.000 2.245 20 Q HA -0.032 4.319 4.340 0.019 0.000 0.201 20 Q C 1.909 177.837 176.000 -0.120 0.000 0.955 20 Q CA 1.700 57.330 55.803 -0.288 0.000 0.870 20 Q CB 0.102 28.623 28.738 -0.360 0.000 0.945 20 Q HN 0.755 nan 8.270 nan 0.000 0.461 21 I N -4.175 116.353 120.570 -0.071 0.000 4.244 21 I HA 0.149 4.330 4.170 0.019 0.000 0.318 21 I C 1.540 177.715 176.117 0.098 0.000 1.282 21 I CA 0.040 61.346 61.300 0.010 0.000 1.276 21 I CB 0.168 38.126 38.000 -0.069 0.000 1.183 21 I HN -0.126 nan 8.210 nan 0.000 0.431 22 E N 2.443 122.703 120.200 0.099 0.000 2.047 22 E HA 0.150 4.511 4.350 0.019 0.000 0.191 22 E C 1.388 178.040 176.600 0.087 0.000 0.987 22 E CA 1.002 57.523 56.400 0.202 0.000 0.799 22 E CB -0.285 29.546 29.700 0.219 0.000 0.752 22 E HN 0.646 nan 8.360 nan 0.000 0.449 23 G N 0.477 109.233 108.800 -0.073 0.000 2.752 23 G HA2 -0.325 3.646 3.960 0.019 0.000 0.234 23 G HA3 -0.325 3.646 3.960 0.019 0.000 0.234 23 G C 0.089 174.893 174.900 -0.160 0.000 1.367 23 G CA -0.196 44.838 45.100 -0.110 0.000 0.879 23 G HN 0.321 nan 8.290 nan 0.000 0.563 24 S N -0.419 115.185 115.700 -0.160 0.000 3.550 24 S HA -0.164 4.318 4.470 0.019 0.000 0.372 24 S C -0.427 173.959 174.600 -0.357 0.000 0.966 24 S CA 1.360 59.391 58.200 -0.282 0.000 1.229 24 S CB -0.774 62.162 63.200 -0.439 0.000 0.917 24 S HN 1.006 nan 8.310 nan 0.000 0.496 25 P HA -0.020 nan 4.420 nan 0.000 0.222 25 P C 0.817 178.003 177.300 -0.189 0.000 1.147 25 P CA 0.901 63.938 63.100 -0.105 0.000 0.790 25 P CB 0.032 31.785 31.700 0.087 0.000 0.780 26 L N -1.693 119.394 121.223 -0.227 0.000 2.857 26 L HA 0.368 4.719 4.340 0.019 0.000 0.249 26 L C 1.044 177.802 176.870 -0.186 0.000 1.172 26 L CA -0.616 54.096 54.840 -0.213 0.000 0.980 26 L CB -0.064 41.860 42.059 -0.225 0.000 1.299 26 L HN -0.173 nan 8.230 nan 0.000 0.535 27 A N -0.189 122.468 122.820 -0.271 0.000 2.407 27 A HA 0.240 4.571 4.320 0.019 0.000 0.248 27 A C 0.434 177.933 177.584 -0.141 0.000 1.082 27 A CA -0.128 51.770 52.037 -0.231 0.000 0.785 27 A CB 0.101 18.872 19.000 -0.382 0.000 1.020 27 A HN 0.482 nan 8.150 nan 0.000 0.489 28 D N 0.449 120.828 120.400 -0.035 0.000 2.723 28 D HA -0.186 4.466 4.640 0.019 0.000 0.236 28 D C 1.007 177.320 176.300 0.021 0.000 1.138 28 D CA 2.337 56.353 54.000 0.028 0.000 0.676 28 D CB -1.501 39.362 40.800 0.105 0.000 1.069 28 D HN 1.927 nan 8.370 nan 0.000 0.430 29 G N -1.305 107.491 108.800 -0.005 0.000 2.162 29 G HA2 -0.174 3.797 3.960 0.019 0.000 0.260 29 G HA3 -0.174 3.797 3.960 0.019 0.000 0.260 29 G C 0.586 175.488 174.900 0.002 0.000 0.976 29 G CA 0.768 45.869 45.100 0.002 0.000 0.655 29 G HN 1.326 nan 8.290 nan 0.000 0.533 30 A N 0.278 123.089 122.820 -0.016 0.000 2.531 30 A HA 0.592 4.923 4.320 0.019 0.000 0.236 30 A C 1.313 178.879 177.584 -0.030 0.000 1.062 30 A CA 1.101 53.135 52.037 -0.005 0.000 0.760 30 A CB 0.264 19.241 19.000 -0.039 0.000 0.995 30 A HN 1.820 nan 8.150 nan 0.000 0.501 31 G N 1.177 109.973 108.800 -0.005 0.000 2.572 31 G HA2 0.460 4.431 3.960 0.019 0.000 0.261 31 G HA3 0.460 4.431 3.960 0.019 0.000 0.261 31 G C 0.294 175.165 174.900 -0.047 0.000 1.197 31 G CA -0.827 44.256 45.100 -0.029 0.000 0.870 31 G HN 0.768 nan 8.290 nan 0.000 0.548 32 M N 0.928 120.487 119.600 -0.069 0.000 2.252 32 M HA 0.151 4.642 4.480 0.019 0.000 0.333 32 M C 0.945 177.285 176.300 0.067 0.000 1.111 32 M CA 0.155 55.402 55.300 -0.088 0.000 1.140 32 M CB 0.801 33.324 32.600 -0.129 0.000 1.538 32 M HN 0.635 nan 8.290 nan 0.000 0.448 33 S N 2.269 118.047 115.700 0.129 0.000 2.690 33 S HA 0.444 4.925 4.470 0.019 0.000 0.291 33 S C 0.939 175.676 174.600 0.227 0.000 1.138 33 S CA -1.026 57.289 58.200 0.192 0.000 1.013 33 S CB 0.875 64.216 63.200 0.235 0.000 1.053 33 S HN 0.796 nan 8.310 nan 0.000 0.539 34 I N -2.705 118.001 120.570 0.227 0.000 2.567 34 I HA 0.002 4.183 4.170 0.019 0.000 0.257 34 I C 1.569 177.681 176.117 -0.008 0.000 1.184 34 I CA 0.973 62.372 61.300 0.166 0.000 1.451 34 I CB -0.375 37.663 38.000 0.063 0.000 1.089 34 I HN 0.647 nan 8.210 nan 0.000 0.441 35 W N 0.892 122.192 121.300 -0.000 0.000 2.518 35 W HA -0.061 4.588 4.660 -0.020 0.000 0.273 35 W C 2.671 179.117 176.519 -0.122 0.000 1.247 35 W CA 1.521 58.772 57.345 -0.156 0.000 1.288 35 W CB -0.351 28.750 29.460 -0.599 0.000 1.107 35 W HN 0.297 nan 8.180 nan 0.000 0.586 36 H N -0.120 118.988 119.070 0.063 0.000 2.293 36 H HA -0.178 4.392 4.556 0.024 0.000 0.300 36 H C 2.405 177.843 175.328 0.183 0.000 1.082 36 H CA 3.051 59.239 56.048 0.232 0.000 1.308 36 H CB -0.377 29.462 29.762 0.129 0.000 1.375 36 H HN -0.005 nan 8.280 nan 0.000 0.495 37 T N -2.224 112.349 114.554 0.031 0.000 2.857 37 T HA -0.164 4.197 4.350 0.019 0.000 0.266 37 T C 2.017 176.716 174.700 -0.001 0.000 1.048 37 T CA 1.042 63.073 62.100 -0.116 0.000 1.139 37 T CB -0.855 67.815 68.868 -0.330 0.000 0.874 37 T HN 0.302 nan 8.240 nan 0.000 0.455 38 F N 3.342 123.214 119.950 -0.131 0.000 2.134 38 F HA -0.084 4.446 4.527 0.005 0.000 0.299 38 F C 2.676 178.438 175.800 -0.063 0.000 1.097 38 F CA 1.695 59.582 58.000 -0.189 0.000 1.264 38 F CB -0.462 38.226 39.000 -0.520 0.000 1.001 38 F HN 0.340 nan 8.300 nan 0.000 0.479 39 S N -1.661 114.115 115.700 0.126 0.000 2.453 39 S HA -0.155 4.326 4.470 0.019 0.000 0.231 39 S C 1.723 176.255 174.600 -0.113 0.000 1.005 39 S CA 0.933 59.200 58.200 0.113 0.000 0.949 39 S CB -0.952 62.487 63.200 0.399 0.000 0.774 39 S HN 0.552 nan 8.310 nan 0.000 0.510 40 H N 1.191 120.177 119.070 -0.140 0.000 2.539 40 H HA 0.206 4.781 4.556 0.031 0.000 0.267 40 H C -0.200 175.035 175.328 -0.155 0.000 0.982 40 H CA 0.522 56.465 56.048 -0.174 0.000 1.146 40 H CB 0.090 29.676 29.762 -0.293 0.000 1.382 40 H HN 0.371 nan 8.280 nan 0.000 0.577 41 T N 3.683 118.169 114.554 -0.113 0.000 2.733 41 T HA 0.191 4.552 4.350 0.019 0.000 0.294 41 T C -2.337 172.265 174.700 -0.164 0.000 0.956 41 T CA -1.425 60.591 62.100 -0.141 0.000 0.987 41 T CB 1.606 70.359 68.868 -0.192 0.000 0.920 41 T HN 0.066 nan 8.240 nan 0.000 0.470 42 P HA 0.177 nan 4.420 nan 0.000 0.261 42 P C 1.102 178.342 177.300 -0.101 0.000 1.173 42 P CA 0.987 64.037 63.100 -0.085 0.000 0.760 42 P CB 0.271 31.939 31.700 -0.052 0.000 0.783 43 G N 3.042 111.790 108.800 -0.087 0.000 2.213 43 G HA2 -0.270 3.701 3.960 0.019 0.000 0.236 43 G HA3 -0.270 3.701 3.960 0.019 0.000 0.236 43 G C 1.207 176.046 174.900 -0.101 0.000 0.991 43 G CA 0.065 45.122 45.100 -0.072 0.000 0.629 43 G HN 0.472 nan 8.290 nan 0.000 0.517 44 N N -0.239 118.333 118.700 -0.213 0.000 2.333 44 N HA 0.205 4.957 4.740 0.019 0.000 0.178 44 N C 0.642 176.100 175.510 -0.086 0.000 1.018 44 N CA 1.381 54.222 53.050 -0.347 0.000 0.882 44 N CB 0.361 38.178 38.487 -1.117 0.000 0.984 44 N HN 0.428 nan 8.380 nan 0.000 0.434 45 V N 1.107 121.011 119.914 -0.016 0.000 2.656 45 V HA 0.212 4.343 4.120 0.019 0.000 0.307 45 V C 0.277 176.414 176.094 0.073 0.000 1.051 45 V CA -1.296 61.080 62.300 0.127 0.000 0.893 45 V CB 2.542 34.524 31.823 0.265 0.000 0.999 45 V HN -0.038 nan 8.190 nan 0.000 0.426 46 K N 3.681 124.120 120.400 0.066 0.000 2.530 46 K HA -0.050 4.281 4.320 0.019 0.000 0.280 46 K C 0.771 177.394 176.600 0.038 0.000 1.004 46 K CA 0.686 56.996 56.287 0.038 0.000 1.071 46 K CB -0.016 32.496 32.500 0.020 0.000 0.876 46 K HN 0.818 nan 8.250 nan 0.000 0.487 47 N N 2.097 120.816 118.700 0.032 0.000 2.778 47 N HA -0.208 4.543 4.740 0.019 0.000 0.249 47 N C 0.493 176.023 175.510 0.033 0.000 1.069 47 N CA 1.279 54.349 53.050 0.034 0.000 0.831 47 N CB -1.520 36.994 38.487 0.045 0.000 1.142 47 N HN 1.000 nan 8.380 nan 0.000 0.573 48 G N -0.174 108.641 108.800 0.025 0.000 2.203 48 G HA2 -0.320 3.651 3.960 0.019 0.000 0.263 48 G HA3 -0.320 3.651 3.960 0.019 0.000 0.263 48 G C -0.222 174.695 174.900 0.029 0.000 1.012 48 G CA 0.616 45.719 45.100 0.005 0.000 0.749 48 G HN 0.520 nan 8.290 nan 0.000 0.512 49 D N 0.600 121.064 120.400 0.106 0.000 2.399 49 D HA 0.519 5.170 4.640 0.019 0.000 0.241 49 D C 1.151 177.596 176.300 0.242 0.000 1.133 49 D CA 1.347 55.470 54.000 0.205 0.000 0.890 49 D CB 1.160 42.100 40.800 0.233 0.000 1.201 49 D HN 0.590 nan 8.370 nan 0.000 0.432 50 T N -2.722 111.908 114.554 0.126 0.000 2.838 50 T HA 0.583 4.944 4.350 0.019 0.000 0.292 50 T C 0.847 175.276 174.700 -0.452 0.000 1.113 50 T CA -0.892 61.130 62.100 -0.129 0.000 1.008 50 T CB 1.503 70.214 68.868 -0.262 0.000 1.259 50 T HN 0.165 nan 8.240 nan 0.000 0.520 51 G N -0.099 108.261 108.800 -0.734 0.000 3.327 51 G HA2 0.166 4.138 3.960 0.019 0.000 0.240 51 G HA3 0.166 4.138 3.960 0.019 0.000 0.240 51 G C 0.477 175.124 174.900 -0.422 0.000 1.222 51 G CA -0.194 44.296 45.100 -1.017 0.000 0.871 51 G HN 0.739 nan 8.290 nan 0.000 0.525 52 D N 0.126 120.455 120.400 -0.119 0.000 2.123 52 D HA -0.100 4.551 4.640 0.019 0.000 0.196 52 D C 2.372 178.638 176.300 -0.056 0.000 0.992 52 D CA 0.969 54.973 54.000 0.006 0.000 0.833 52 D CB 0.323 41.178 40.800 0.092 0.000 0.954 52 D HN 0.293 nan 8.370 nan 0.000 0.455 53 V N -0.666 119.202 119.914 -0.077 0.000 2.996 53 V HA 0.378 4.509 4.120 0.019 0.000 0.235 53 V C 1.253 177.312 176.094 -0.058 0.000 1.205 53 V CA 0.591 62.852 62.300 -0.065 0.000 1.225 53 V CB -0.120 31.659 31.823 -0.073 0.000 0.995 53 V HN 0.315 nan 8.190 nan 0.000 0.484 54 A N 0.224 123.001 122.820 -0.071 0.000 5.483 54 A HA -0.372 3.959 4.320 0.019 0.000 0.309 54 A C 1.388 179.034 177.584 0.103 0.000 1.898 54 A CA 1.731 53.802 52.037 0.057 0.000 0.716 54 A CB -2.037 16.970 19.000 0.012 0.000 1.309 54 A HN 0.686 nan 8.150 nan 0.000 0.380 55 C N 0.158 119.565 119.300 0.179 0.000 2.613 55 C HA 0.433 4.904 4.460 0.019 0.000 0.273 55 C C 1.071 176.143 174.990 0.136 0.000 1.304 55 C CA 1.032 60.154 59.018 0.174 0.000 1.702 55 C CB -1.429 26.400 27.740 0.148 0.000 1.792 55 C HN 1.110 nan 8.230 nan 0.000 0.588 56 D N 0.293 120.765 120.400 0.120 0.000 2.737 56 D HA -0.278 4.373 4.640 0.019 0.000 0.233 56 D C 0.684 177.098 176.300 0.190 0.000 1.155 56 D CA 1.049 55.123 54.000 0.123 0.000 0.667 56 D CB -1.484 39.359 40.800 0.071 0.000 1.060 56 D HN 0.755 nan 8.370 nan 0.000 0.427 57 H N -1.462 117.701 119.070 0.155 0.000 2.491 57 H HA -0.103 4.465 4.556 0.019 0.000 0.290 57 H C 1.662 177.214 175.328 0.373 0.000 1.050 57 H CA 1.878 58.061 56.048 0.226 0.000 1.309 57 H CB -0.187 29.711 29.762 0.227 0.000 1.392 57 H HN 0.469 nan 8.280 nan 0.000 0.554 58 Y N 0.596 121.012 120.300 0.194 0.000 2.256 58 Y HA -0.216 4.346 4.550 0.019 0.000 0.288 58 Y C 1.621 177.646 175.900 0.208 0.000 1.155 58 Y CA 1.891 60.000 58.100 0.014 0.000 1.203 58 Y CB -0.025 38.291 38.460 -0.240 0.000 0.980 58 Y HN 0.371 nan 8.280 nan 0.000 0.530 59 N N -0.634 118.180 118.700 0.190 0.000 2.432 59 N HA 0.038 4.789 4.740 0.019 0.000 0.174 59 N C 1.133 176.624 175.510 -0.031 0.000 1.037 59 N CA 0.587 53.703 53.050 0.110 0.000 0.892 59 N CB -0.021 38.511 38.487 0.075 0.000 1.049 59 N HN 0.370 nan 8.380 nan 0.000 0.442 60 R N 1.077 121.539 120.500 -0.063 0.000 2.359 60 R HA 0.109 4.460 4.340 0.019 0.000 0.231 60 R C 1.701 177.789 176.300 -0.353 0.000 0.913 60 R CA -0.250 55.727 56.100 -0.206 0.000 1.075 60 R CB -0.118 30.132 30.300 -0.082 0.000 1.087 60 R HN 0.386 nan 8.270 nan 0.000 0.515 61 W N 1.771 122.783 121.300 -0.479 0.000 2.305 61 W HA -0.260 4.410 4.660 0.016 0.000 0.308 61 W C 1.168 177.479 176.519 -0.348 0.000 1.226 61 W CA 1.031 57.932 57.345 -0.741 0.000 1.253 61 W CB -0.694 28.340 29.460 -0.709 0.000 1.146 61 W HN 0.032 nan 8.180 nan 0.000 0.507 62 K N 1.300 120.992 120.400 -1.181 0.000 2.025 62 K HA -0.248 4.083 4.320 0.019 0.000 0.207 62 K C 2.350 178.680 176.600 -0.449 0.000 1.049 62 K CA 1.951 57.666 56.287 -0.955 0.000 0.933 62 K CB -0.503 31.193 32.500 -1.341 0.000 0.714 62 K HN 0.208 nan 8.250 nan 0.000 0.438 63 E N 0.585 120.543 120.200 -0.402 0.000 2.070 63 E HA -0.261 4.100 4.350 0.019 0.000 0.197 63 E C 1.292 177.795 176.600 -0.160 0.000 1.004 63 E CA 1.965 58.225 56.400 -0.234 0.000 0.805 63 E CB -0.065 29.517 29.700 -0.197 0.000 0.744 63 E HN 0.296 nan 8.360 nan 0.000 0.451 64 D N 0.465 120.786 120.400 -0.131 0.000 2.117 64 D HA -0.142 4.509 4.640 0.019 0.000 0.197 64 D C 2.103 178.338 176.300 -0.109 0.000 0.987 64 D CA 1.117 55.083 54.000 -0.056 0.000 0.829 64 D CB -0.212 40.661 40.800 0.123 0.000 0.961 64 D HN 0.362 nan 8.370 nan 0.000 0.460 65 I N 0.912 121.413 120.570 -0.114 0.000 2.315 65 I HA -0.207 3.974 4.170 0.019 0.000 0.248 65 I C 2.191 178.241 176.117 -0.111 0.000 1.117 65 I CA 0.967 62.184 61.300 -0.138 0.000 1.404 65 I CB -0.218 37.743 38.000 -0.065 0.000 1.071 65 I HN -0.033 nan 8.210 nan 0.000 0.419 66 E N 1.034 121.167 120.200 -0.112 0.000 2.118 66 E HA -0.218 4.144 4.350 0.019 0.000 0.195 66 E C 2.261 178.816 176.600 -0.075 0.000 0.992 66 E CA 1.267 57.612 56.400 -0.091 0.000 0.804 66 E CB -0.087 29.548 29.700 -0.109 0.000 0.741 66 E HN 0.492 nan 8.360 nan 0.000 0.458 67 I N 0.839 121.359 120.570 -0.084 0.000 2.163 67 I HA -0.304 3.877 4.170 0.019 0.000 0.243 67 I C 2.297 178.376 176.117 -0.062 0.000 1.085 67 I CA 1.112 62.371 61.300 -0.069 0.000 1.347 67 I CB -0.300 37.654 38.000 -0.077 0.000 1.044 67 I HN 0.123 nan 8.210 nan 0.000 0.408 68 I N 0.521 121.039 120.570 -0.087 0.000 2.163 68 I HA -0.335 3.846 4.170 0.019 0.000 0.243 68 I C 2.660 178.758 176.117 -0.031 0.000 1.085 68 I CA 1.680 62.939 61.300 -0.068 0.000 1.347 68 I CB -0.514 37.406 38.000 -0.134 0.000 1.044 68 I HN 0.314 nan 8.210 nan 0.000 0.408 69 E N 1.561 121.738 120.200 -0.038 0.000 2.038 69 E HA -0.324 4.037 4.350 0.019 0.000 0.195 69 E C 2.239 178.828 176.600 -0.017 0.000 1.000 69 E CA 1.764 58.152 56.400 -0.020 0.000 0.803 69 E CB -0.057 29.628 29.700 -0.025 0.000 0.750 69 E HN 0.301 nan 8.360 nan 0.000 0.448 70 K N 0.224 120.612 120.400 -0.020 0.000 2.152 70 K HA -0.123 4.208 4.320 0.019 0.000 0.206 70 K C 2.086 178.687 176.600 0.002 0.000 1.048 70 K CA 1.040 57.322 56.287 -0.008 0.000 0.933 70 K CB -0.064 32.433 32.500 -0.004 0.000 0.721 70 K HN 0.207 nan 8.250 nan 0.000 0.447 71 L N -0.464 120.757 121.223 -0.003 0.000 2.478 71 L HA 0.059 4.410 4.340 0.019 0.000 0.223 71 L C 1.189 178.037 176.870 -0.036 0.000 1.140 71 L CA 0.621 55.460 54.840 -0.001 0.000 0.842 71 L CB -0.108 41.959 42.059 0.014 0.000 0.953 71 L HN 0.593 nan 8.230 nan 0.000 0.452 72 G N 0.163 108.945 108.800 -0.030 0.000 2.153 72 G HA2 -0.259 3.712 3.960 0.019 0.000 0.252 72 G HA3 -0.259 3.712 3.960 0.019 0.000 0.252 72 G C 0.287 175.161 174.900 -0.043 0.000 0.994 72 G CA 0.171 45.246 45.100 -0.041 0.000 0.698 72 G HN 0.122 nan 8.290 nan 0.000 0.521 73 V N 0.396 120.301 119.914 -0.015 0.000 2.655 73 V HA 0.179 4.311 4.120 0.019 0.000 0.300 73 V C 1.582 177.714 176.094 0.062 0.000 1.044 73 V CA 1.008 63.325 62.300 0.029 0.000 1.095 73 V CB 1.411 33.302 31.823 0.112 0.000 0.952 73 V HN 0.424 nan 8.190 nan 0.000 0.485 74 K N 3.083 123.532 120.400 0.081 0.000 2.356 74 K HA 0.421 4.752 4.320 0.019 0.000 0.195 74 K C 0.369 177.029 176.600 0.099 0.000 1.037 74 K CA 0.587 56.925 56.287 0.085 0.000 1.014 74 K CB 0.715 33.272 32.500 0.096 0.000 0.815 74 K HN 0.726 nan 8.250 nan 0.000 0.507 75 A N 0.849 123.723 122.820 0.090 0.000 2.515 75 A HA 0.494 4.825 4.320 0.019 0.000 0.298 75 A C -2.085 175.724 177.584 0.375 0.000 1.059 75 A CA -0.603 51.543 52.037 0.181 0.000 0.698 75 A CB 1.125 20.101 19.000 -0.041 0.000 1.289 75 A HN 0.161 nan 8.150 nan 0.000 0.404 76 Y N 1.745 122.252 120.300 0.346 0.000 2.326 76 Y HA 0.579 5.139 4.550 0.017 0.000 0.329 76 Y C -0.007 176.153 175.900 0.433 0.000 0.973 76 Y CA -0.951 57.374 58.100 0.376 0.000 1.162 76 Y CB 1.247 39.877 38.460 0.283 0.000 1.147 76 Y HN 0.752 nan 8.280 nan 0.000 0.456 77 R N 7.374 127.944 120.500 0.116 0.000 2.202 77 R HA 0.475 4.827 4.340 0.019 0.000 0.334 77 R C -1.618 174.397 176.300 -0.475 0.000 1.036 77 R CA -0.254 55.668 56.100 -0.297 0.000 0.878 77 R CB 0.138 30.098 30.300 -0.567 0.000 1.067 77 R HN 0.599 nan 8.270 nan 0.000 0.457 78 F N 0.785 120.350 119.950 -0.641 0.000 2.629 78 F HA 0.629 5.166 4.527 0.016 0.000 0.316 78 F C -0.899 174.764 175.800 -0.229 0.000 1.081 78 F CA -1.141 56.542 58.000 -0.528 0.000 0.954 78 F CB 1.360 39.922 39.000 -0.730 0.000 1.337 78 F HN 0.367 nan 8.300 nan 0.000 0.474 79 S N 1.366 117.074 115.700 0.012 0.000 2.621 79 S HA 0.784 5.265 4.470 0.019 0.000 0.302 79 S C -0.927 173.735 174.600 0.103 0.000 1.093 79 S CA -0.783 57.413 58.200 -0.008 0.000 1.017 79 S CB 1.512 64.772 63.200 0.101 0.000 1.077 79 S HN 0.727 nan 8.310 nan 0.000 0.517 80 I N 2.131 122.695 120.570 -0.009 0.000 2.359 80 I HA 0.270 4.451 4.170 0.019 0.000 0.294 80 I C 0.443 176.722 176.117 0.269 0.000 0.987 80 I CA -0.518 60.679 61.300 -0.170 0.000 1.225 80 I CB 1.871 39.717 38.000 -0.255 0.000 1.366 80 I HN 0.762 nan 8.210 nan 0.000 0.466 81 S N 6.697 122.655 115.700 0.429 0.000 2.437 81 S HA -0.030 4.451 4.470 0.019 0.000 0.304 81 S C 0.944 175.851 174.600 0.511 0.000 1.167 81 S CA -0.331 58.173 58.200 0.508 0.000 1.106 81 S CB 0.012 63.523 63.200 0.518 0.000 1.099 81 S HN 0.687 nan 8.310 nan 0.000 0.524 82 W N 7.469 128.901 121.300 0.221 0.000 2.302 82 W HA -0.094 4.577 4.660 0.017 0.000 0.320 82 W C -1.349 175.135 176.519 -0.059 0.000 1.241 82 W CA 1.526 58.760 57.345 -0.186 0.000 1.264 82 W CB -1.718 27.497 29.460 -0.408 0.000 1.154 82 W HN 0.619 nan 8.180 nan 0.000 0.483 83 P HA -0.094 nan 4.420 nan 0.000 0.237 83 P C 1.418 178.830 177.300 0.185 0.000 1.178 83 P CA 1.346 64.530 63.100 0.140 0.000 0.766 83 P CB -0.299 31.443 31.700 0.070 0.000 0.876 84 R N -0.621 120.048 120.500 0.281 0.000 2.148 84 R HA 0.015 4.366 4.340 0.019 0.000 0.223 84 R C 1.925 178.413 176.300 0.313 0.000 1.088 84 R CA 0.889 57.162 56.100 0.288 0.000 0.985 84 R CB -0.256 30.295 30.300 0.418 0.000 0.880 84 R HN 0.212 nan 8.270 nan 0.000 0.451 85 I N -0.047 120.741 120.570 0.364 0.000 2.628 85 I HA 0.012 4.193 4.170 0.019 0.000 0.255 85 I C 0.543 176.816 176.117 0.259 0.000 1.119 85 I CA 0.822 62.331 61.300 0.350 0.000 1.448 85 I CB -0.236 38.029 38.000 0.441 0.000 1.133 85 I HN -0.016 nan 8.210 nan 0.000 0.438 86 L N 1.367 122.751 121.223 0.269 0.000 2.454 86 L HA 0.329 4.681 4.340 0.019 0.000 0.258 86 L C -1.821 175.112 176.870 0.105 0.000 1.025 86 L CA -1.001 53.955 54.840 0.194 0.000 0.901 86 L CB 1.619 43.836 42.059 0.263 0.000 1.210 86 L HN -0.161 nan 8.230 nan 0.000 0.457 87 P HA -0.164 nan 4.420 nan 0.000 0.217 87 P C 0.638 177.911 177.300 -0.046 0.000 1.148 87 P CA 1.224 64.334 63.100 0.016 0.000 0.828 87 P CB 0.318 32.030 31.700 0.019 0.000 0.783 88 E N -1.827 118.335 120.200 -0.063 0.000 2.463 88 E HA 0.189 4.550 4.350 0.019 0.000 0.193 88 E C 1.630 178.090 176.600 -0.234 0.000 1.041 88 E CA 0.654 56.974 56.400 -0.134 0.000 0.879 88 E CB -0.406 29.226 29.700 -0.113 0.000 0.997 88 E HN 0.221 nan 8.360 nan 0.000 0.478 89 G N 1.618 110.287 108.800 -0.218 0.000 2.579 89 G HA2 -0.321 3.651 3.960 0.019 0.000 0.222 89 G HA3 -0.321 3.651 3.960 0.019 0.000 0.222 89 G C 0.739 175.650 174.900 0.018 0.000 1.201 89 G CA 0.694 45.591 45.100 -0.339 0.000 0.710 89 G HN 0.517 nan 8.290 nan 0.000 0.516 90 T N -2.773 111.729 114.554 -0.088 0.000 2.887 90 T HA 0.825 5.187 4.350 0.019 0.000 0.292 90 T C 1.385 176.085 174.700 0.000 0.000 1.087 90 T CA 0.869 62.978 62.100 0.015 0.000 1.009 90 T CB 1.849 70.693 68.868 -0.040 0.000 1.203 90 T HN 2.319 nan 8.240 nan 0.000 0.518 91 G N 1.597 110.415 108.800 0.031 0.000 2.779 91 G HA2 -0.270 3.701 3.960 0.019 0.000 0.284 91 G HA3 -0.270 3.701 3.960 0.019 0.000 0.284 91 G C 0.059 174.977 174.900 0.030 0.000 1.326 91 G CA 0.142 45.254 45.100 0.019 0.000 0.983 91 G HN 1.023 nan 8.290 nan 0.000 0.555 92 R N 0.550 121.063 120.500 0.022 0.000 2.489 92 R HA 0.431 4.782 4.340 0.019 0.000 0.287 92 R C -0.261 176.072 176.300 0.054 0.000 1.053 92 R CA -0.015 56.103 56.100 0.030 0.000 1.036 92 R CB 0.350 30.663 30.300 0.020 0.000 0.966 92 R HN 0.404 nan 8.270 nan 0.000 0.432 93 V N 4.929 124.876 119.914 0.056 0.000 2.394 93 V HA 0.103 4.234 4.120 0.019 0.000 0.282 93 V C -0.066 176.076 176.094 0.080 0.000 1.031 93 V CA -0.788 61.557 62.300 0.075 0.000 0.881 93 V CB 1.369 33.225 31.823 0.055 0.000 0.982 93 V HN 0.742 nan 8.190 nan 0.000 0.451 94 N N 3.636 122.402 118.700 0.110 0.000 2.437 94 N HA 0.131 4.883 4.740 0.019 0.000 0.243 94 N C 0.833 176.423 175.510 0.133 0.000 1.041 94 N CA -0.180 52.938 53.050 0.113 0.000 0.940 94 N CB 1.449 40.010 38.487 0.123 0.000 1.133 94 N HN 0.614 nan 8.380 nan 0.000 0.506 95 Q N 3.525 123.388 119.800 0.105 0.000 2.135 95 Q HA -0.103 4.248 4.340 0.019 0.000 0.204 95 Q C 0.906 176.990 176.000 0.139 0.000 0.981 95 Q CA 1.832 57.700 55.803 0.109 0.000 0.856 95 Q CB 0.116 28.901 28.738 0.079 0.000 0.902 95 Q HN 0.618 nan 8.270 nan 0.000 0.425 96 K N -1.421 119.059 120.400 0.134 0.000 2.211 96 K HA -0.032 4.300 4.320 0.019 0.000 0.203 96 K C 1.879 178.606 176.600 0.211 0.000 1.050 96 K CA 0.947 57.323 56.287 0.147 0.000 0.945 96 K CB -0.240 32.335 32.500 0.125 0.000 0.732 96 K HN 0.369 nan 8.250 nan 0.000 0.451 97 G N 1.260 110.210 108.800 0.250 0.000 2.394 97 G HA2 -0.174 3.797 3.960 0.019 0.000 0.215 97 G HA3 -0.174 3.797 3.960 0.019 0.000 0.215 97 G C 1.471 176.665 174.900 0.491 0.000 1.165 97 G CA 0.240 45.560 45.100 0.367 0.000 0.784 97 G HN 0.066 nan 8.290 nan 0.000 0.535 98 L N 0.593 122.069 121.223 0.421 0.000 2.046 98 L HA -0.084 4.268 4.340 0.019 0.000 0.208 98 L C 2.521 179.650 176.870 0.432 0.000 1.077 98 L CA 1.248 56.391 54.840 0.506 0.000 0.747 98 L CB -0.381 41.839 42.059 0.268 0.000 0.896 98 L HN 0.099 nan 8.230 nan 0.000 0.432 99 D N -0.236 120.312 120.400 0.248 0.000 2.097 99 D HA -0.221 4.431 4.640 0.019 0.000 0.195 99 D C 1.892 178.186 176.300 -0.010 0.000 0.989 99 D CA 1.102 55.175 54.000 0.122 0.000 0.827 99 D CB -0.318 40.533 40.800 0.086 0.000 0.966 99 D HN 0.172 nan 8.370 nan 0.000 0.456 100 F N 0.889 120.737 119.950 -0.170 0.000 2.087 100 F HA -0.320 4.218 4.527 0.018 0.000 0.299 100 F C 1.978 177.412 175.800 -0.610 0.000 1.100 100 F CA 1.579 59.281 58.000 -0.496 0.000 1.226 100 F CB -0.592 38.101 39.000 -0.511 0.000 0.983 100 F HN -0.016 nan 8.300 nan 0.000 0.479 101 Y N -0.121 120.004 120.300 -0.293 0.000 2.365 101 Y HA -0.066 4.494 4.550 0.017 0.000 0.293 101 Y C 2.436 178.035 175.900 -0.502 0.000 1.119 101 Y CA 0.979 58.792 58.100 -0.479 0.000 1.203 101 Y CB -1.083 37.232 38.460 -0.241 0.000 1.026 101 Y HN 0.063 nan 8.280 nan 0.000 0.549 102 N N 0.618 119.251 118.700 -0.112 0.000 2.036 102 N HA -0.188 4.563 4.740 0.019 0.000 0.195 102 N C 1.880 177.269 175.510 -0.202 0.000 1.037 102 N CA 1.457 54.477 53.050 -0.049 0.000 0.855 102 N CB -0.324 38.249 38.487 0.143 0.000 1.033 102 N HN 0.360 nan 8.380 nan 0.000 0.423 103 R N 0.500 120.785 120.500 -0.359 0.000 2.091 103 R HA -0.058 4.294 4.340 0.019 0.000 0.238 103 R C 2.390 178.354 176.300 -0.560 0.000 1.136 103 R CA 0.973 56.782 56.100 -0.486 0.000 0.959 103 R CB -0.442 29.380 30.300 -0.798 0.000 0.856 103 R HN 0.277 nan 8.270 nan 0.000 0.437 104 I N 0.650 120.750 120.570 -0.784 0.000 2.127 104 I HA -0.320 3.861 4.170 0.019 0.000 0.241 104 I C 2.318 178.271 176.117 -0.274 0.000 1.075 104 I CA 1.493 62.466 61.300 -0.545 0.000 1.334 104 I CB -0.267 37.286 38.000 -0.746 0.000 1.040 104 I HN 0.109 nan 8.210 nan 0.000 0.405 105 I N 0.596 121.019 120.570 -0.246 0.000 2.163 105 I HA -0.345 3.837 4.170 0.019 0.000 0.243 105 I C 2.093 178.193 176.117 -0.027 0.000 1.085 105 I CA 1.558 62.805 61.300 -0.087 0.000 1.347 105 I CB -0.509 37.430 38.000 -0.101 0.000 1.044 105 I HN 0.254 nan 8.210 nan 0.000 0.408 106 D N 0.189 120.566 120.400 -0.038 0.000 2.117 106 D HA -0.140 4.511 4.640 0.019 0.000 0.197 106 D C 2.250 178.567 176.300 0.027 0.000 0.987 106 D CA 1.626 55.631 54.000 0.008 0.000 0.829 106 D CB -0.468 40.338 40.800 0.010 0.000 0.961 106 D HN 0.305 nan 8.370 nan 0.000 0.460 107 T N 1.255 115.829 114.554 0.032 0.000 2.708 107 T HA -0.073 4.288 4.350 0.019 0.000 0.266 107 T C 2.276 177.009 174.700 0.054 0.000 1.037 107 T CA 0.596 62.741 62.100 0.075 0.000 1.146 107 T CB -0.311 68.663 68.868 0.178 0.000 0.865 107 T HN 0.109 nan 8.240 nan 0.000 0.435 108 L N 0.282 121.535 121.223 0.050 0.000 2.012 108 L HA -0.103 4.249 4.340 0.019 0.000 0.210 108 L C 2.435 179.348 176.870 0.073 0.000 1.073 108 L CA 0.797 55.681 54.840 0.073 0.000 0.748 108 L CB -0.655 41.477 42.059 0.122 0.000 0.891 108 L HN 0.191 nan 8.230 nan 0.000 0.431 109 L N -0.003 121.259 121.223 0.065 0.000 2.017 109 L HA -0.238 4.113 4.340 0.019 0.000 0.208 109 L C 2.633 179.534 176.870 0.051 0.000 1.073 109 L CA 1.811 56.688 54.840 0.061 0.000 0.745 109 L CB -1.176 40.916 42.059 0.056 0.000 0.894 109 L HN 0.394 nan 8.230 nan 0.000 0.432 110 E N 0.104 120.331 120.200 0.044 0.000 2.130 110 E HA -0.263 4.099 4.350 0.019 0.000 0.196 110 E C 1.543 178.163 176.600 0.033 0.000 0.998 110 E CA 1.454 57.876 56.400 0.037 0.000 0.806 110 E CB 0.039 29.760 29.700 0.035 0.000 0.738 110 E HN 0.442 nan 8.360 nan 0.000 0.459 111 K N -0.721 119.700 120.400 0.035 0.000 2.458 111 K HA 0.106 4.437 4.320 0.019 0.000 0.194 111 K C 0.793 177.416 176.600 0.039 0.000 1.024 111 K CA 0.398 56.703 56.287 0.029 0.000 1.108 111 K CB 0.465 32.978 32.500 0.021 0.000 0.846 111 K HN 0.315 nan 8.250 nan 0.000 0.518 112 G N 2.077 110.906 108.800 0.049 0.000 2.225 112 G HA2 -0.274 3.697 3.960 0.019 0.000 0.267 112 G HA3 -0.274 3.697 3.960 0.019 0.000 0.267 112 G C -0.011 174.933 174.900 0.074 0.000 1.024 112 G CA 0.059 45.193 45.100 0.057 0.000 0.784 112 G HN 0.274 nan 8.290 nan 0.000 0.507 113 I N 0.910 121.532 120.570 0.088 0.000 2.353 113 I HA 0.319 4.500 4.170 0.019 0.000 0.293 113 I C 0.649 176.862 176.117 0.161 0.000 0.992 113 I CA -0.519 60.854 61.300 0.123 0.000 1.268 113 I CB 1.675 39.751 38.000 0.126 0.000 1.387 113 I HN -0.010 nan 8.210 nan 0.000 0.478 114 T N 7.874 122.545 114.554 0.195 0.000 2.729 114 T HA 0.243 4.605 4.350 0.019 0.000 0.296 114 T C -2.398 172.493 174.700 0.318 0.000 0.928 114 T CA -1.113 61.121 62.100 0.224 0.000 1.045 114 T CB 0.375 69.398 68.868 0.259 0.000 0.902 114 T HN 0.317 nan 8.240 nan 0.000 0.500 115 P HA 0.308 nan 4.420 nan 0.000 0.282 115 P C -0.936 176.380 177.300 0.026 0.000 1.262 115 P CA -0.492 62.744 63.100 0.226 0.000 0.773 115 P CB 0.256 32.061 31.700 0.175 0.000 0.879 116 F N 2.792 122.608 119.950 -0.224 0.000 2.388 116 F HA 0.231 4.769 4.527 0.019 0.000 0.358 116 F C 0.315 175.684 175.800 -0.718 0.000 1.122 116 F CA -0.712 57.029 58.000 -0.432 0.000 1.056 116 F CB 1.356 40.087 39.000 -0.448 0.000 1.155 116 F HN 0.012 nan 8.300 nan 0.000 0.461 117 V N 3.611 123.075 119.914 -0.749 0.000 2.350 117 V HA 0.263 4.395 4.120 0.019 0.000 0.276 117 V C 0.056 175.883 176.094 -0.446 0.000 1.028 117 V CA -0.616 61.127 62.300 -0.927 0.000 0.860 117 V CB 1.346 32.456 31.823 -1.188 0.000 0.990 117 V HN 0.693 nan 8.190 nan 0.000 0.453 118 T N 6.887 121.234 114.554 -0.345 0.000 2.729 118 T HA 0.363 4.724 4.350 0.019 0.000 0.296 118 T C 1.393 176.118 174.700 0.040 0.000 0.928 118 T CA -0.083 61.974 62.100 -0.073 0.000 1.045 118 T CB 0.814 69.686 68.868 0.006 0.000 0.902 118 T HN 0.420 nan 8.240 nan 0.000 0.500 119 I N 1.776 122.450 120.570 0.173 0.000 2.252 119 I HA -0.045 4.136 4.170 0.019 0.000 0.245 119 I C 0.376 176.805 176.117 0.521 0.000 1.102 119 I CA 1.140 62.576 61.300 0.227 0.000 1.385 119 I CB 0.126 38.196 38.000 0.117 0.000 1.064 119 I HN 0.553 nan 8.210 nan 0.000 0.414 120 Y N 0.008 120.566 120.300 0.431 0.000 2.327 120 Y HA 0.343 4.906 4.550 0.022 0.000 0.325 120 Y C -0.458 175.684 175.900 0.404 0.000 0.999 120 Y CA -1.051 57.385 58.100 0.560 0.000 1.195 120 Y CB 0.593 39.485 38.460 0.720 0.000 1.132 120 Y HN 0.024 nan 8.280 nan 0.000 0.455 121 H N 6.427 125.406 119.070 -0.150 0.000 2.500 121 H HA 0.225 4.791 4.556 0.015 0.000 0.243 121 H C -0.809 174.271 175.328 -0.414 0.000 1.318 121 H CA -0.119 55.707 56.048 -0.370 0.000 1.077 121 H CB 0.022 29.632 29.762 -0.254 0.000 1.748 121 H HN 0.833 nan 8.280 nan 0.000 0.556 122 W N -0.252 120.485 121.300 -0.938 0.000 0.996 122 W HA -0.216 4.445 4.660 0.002 0.000 0.232 122 W C -0.365 176.173 176.519 0.032 0.000 0.967 122 W CA 0.620 57.650 57.345 -0.526 0.000 0.369 122 W CB -2.023 27.201 29.460 -0.393 0.000 1.970 122 W HN 0.565 nan 8.180 nan 0.000 1.126 123 D N 1.464 122.051 120.400 0.311 0.000 2.767 123 D HA 0.406 5.057 4.640 0.019 0.000 0.241 123 D C 0.330 176.944 176.300 0.522 0.000 1.187 123 D CA -0.335 53.953 54.000 0.481 0.000 0.999 123 D CB -0.336 40.730 40.800 0.444 0.000 1.042 123 D HN 0.085 nan 8.370 nan 0.000 0.510 124 L N 1.224 122.822 121.223 0.624 0.000 2.514 124 L HA 0.192 4.543 4.340 0.019 0.000 0.280 124 L C -2.314 174.561 176.870 0.009 0.000 1.223 124 L CA -1.005 54.048 54.840 0.355 0.000 0.864 124 L CB 0.198 42.417 42.059 0.265 0.000 1.118 124 L HN 0.030 nan 8.230 nan 0.000 0.494 125 P HA -0.046 nan 4.420 nan 0.000 0.268 125 P C 0.092 177.284 177.300 -0.180 0.000 1.204 125 P CA 0.191 63.119 63.100 -0.287 0.000 0.768 125 P CB 0.269 31.619 31.700 -0.583 0.000 0.842 126 F N 4.540 124.391 119.950 -0.166 0.000 2.161 126 F HA -0.241 4.297 4.527 0.018 0.000 0.300 126 F C 2.096 177.784 175.800 -0.187 0.000 1.089 126 F CA 2.048 59.969 58.000 -0.132 0.000 1.282 126 F CB -0.694 38.267 39.000 -0.066 0.000 1.010 126 F HN 0.358 nan 8.300 nan 0.000 0.485 127 A N 0.224 122.913 122.820 -0.220 0.000 1.978 127 A HA -0.152 4.179 4.320 0.019 0.000 0.220 127 A C 2.271 179.562 177.584 -0.489 0.000 1.170 127 A CA 1.824 53.664 52.037 -0.328 0.000 0.636 127 A CB -1.036 17.817 19.000 -0.246 0.000 0.810 127 A HN 0.497 nan 8.150 nan 0.000 0.448 128 L N -1.496 119.384 121.223 -0.570 0.000 2.270 128 L HA -0.101 4.250 4.340 0.019 0.000 0.210 128 L C 2.689 179.287 176.870 -0.454 0.000 1.104 128 L CA 1.137 55.558 54.840 -0.699 0.000 0.804 128 L CB -0.351 41.205 42.059 -0.838 0.000 0.937 128 L HN 0.425 nan 8.230 nan 0.000 0.450 129 Q N 0.995 120.537 119.800 -0.429 0.000 2.124 129 Q HA -0.157 4.195 4.340 0.019 0.000 0.202 129 Q C 2.158 177.939 176.000 -0.366 0.000 0.977 129 Q CA 1.590 57.190 55.803 -0.338 0.000 0.850 129 Q CB -0.320 28.220 28.738 -0.329 0.000 0.901 129 Q HN 0.453 nan 8.270 nan 0.000 0.429 130 L N 0.119 121.021 121.223 -0.536 0.000 2.189 130 L HA -0.184 4.168 4.340 0.019 0.000 0.214 130 L C 1.440 178.181 176.870 -0.215 0.000 1.097 130 L CA 1.154 55.759 54.840 -0.392 0.000 0.764 130 L CB -0.430 41.380 42.059 -0.415 0.000 0.900 130 L HN 0.097 nan 8.230 nan 0.000 0.436 131 K N 0.100 120.382 120.400 -0.197 0.000 2.500 131 K HA 0.251 4.582 4.320 0.019 0.000 0.206 131 K C 1.158 177.813 176.600 0.091 0.000 1.034 131 K CA 0.697 56.958 56.287 -0.043 0.000 1.179 131 K CB 0.712 33.173 32.500 -0.064 0.000 0.884 131 K HN 0.339 nan 8.250 nan 0.000 0.493 132 G N 0.674 109.479 108.800 0.008 0.000 2.195 132 G HA2 -0.306 3.665 3.960 0.019 0.000 0.246 132 G HA3 -0.306 3.665 3.960 0.019 0.000 0.246 132 G C 0.737 175.668 174.900 0.052 0.000 0.984 132 G CA 0.367 45.490 45.100 0.038 0.000 0.633 132 G HN 0.631 nan 8.290 nan 0.000 0.525 133 G N -0.343 108.486 108.800 0.050 0.000 2.611 133 G HA2 -0.362 3.609 3.960 0.019 0.000 0.301 133 G HA3 -0.362 3.609 3.960 0.019 0.000 0.301 133 G C 0.955 175.760 174.900 -0.158 0.000 1.233 133 G CA 1.208 46.259 45.100 -0.082 0.000 0.993 133 G HN 1.105 nan 8.290 nan 0.000 0.553 134 W N 1.271 122.605 121.300 0.058 0.000 2.525 134 W HA 0.321 4.990 4.660 0.016 0.000 0.259 134 W C 2.931 179.368 176.519 -0.136 0.000 1.253 134 W CA 1.192 58.489 57.345 -0.079 0.000 1.262 134 W CB -0.244 29.121 29.460 -0.159 0.000 1.122 134 W HN 0.721 nan 8.180 nan 0.000 0.607 135 A N -0.018 122.836 122.820 0.056 0.000 2.066 135 A HA -0.112 4.219 4.320 0.019 0.000 0.218 135 A C 1.112 178.695 177.584 -0.002 0.000 1.157 135 A CA 0.779 52.827 52.037 0.017 0.000 0.670 135 A CB -0.474 18.548 19.000 0.037 0.000 0.804 135 A HN 0.114 nan 8.150 nan 0.000 0.453 136 N N -0.022 118.645 118.700 -0.054 0.000 2.419 136 N HA 0.185 4.937 4.740 0.019 0.000 0.264 136 N C 0.773 176.133 175.510 -0.251 0.000 1.031 136 N CA -0.287 52.684 53.050 -0.132 0.000 0.951 136 N CB 0.694 39.104 38.487 -0.128 0.000 1.101 136 N HN 0.257 nan 8.380 nan 0.000 0.488 137 R N 2.115 122.518 120.500 -0.162 0.000 2.139 137 R HA -0.127 4.224 4.340 0.019 0.000 0.243 137 R C 0.823 176.934 176.300 -0.316 0.000 1.145 137 R CA 1.436 57.446 56.100 -0.150 0.000 0.976 137 R CB 0.173 30.436 30.300 -0.062 0.000 0.866 137 R HN 0.701 nan 8.270 nan 0.000 0.449 138 E N 0.335 120.231 120.200 -0.506 0.000 2.338 138 E HA -0.181 4.181 4.350 0.019 0.000 0.197 138 E C 1.777 177.521 176.600 -1.426 0.000 1.007 138 E CA 0.483 56.421 56.400 -0.769 0.000 0.849 138 E CB -0.148 29.173 29.700 -0.633 0.000 0.774 138 E HN 0.373 nan 8.360 nan 0.000 0.506 139 I N 0.967 120.699 120.570 -1.398 0.000 2.530 139 I HA -0.283 3.898 4.170 0.019 0.000 0.257 139 I C 2.212 178.173 176.117 -0.261 0.000 1.179 139 I CA 0.740 61.476 61.300 -0.940 0.000 1.440 139 I CB 0.036 37.673 38.000 -0.604 0.000 1.087 139 I HN 0.046 nan 8.210 nan 0.000 0.440 140 A N 0.191 122.888 122.820 -0.204 0.000 1.902 140 A HA -0.225 4.106 4.320 0.019 0.000 0.217 140 A C 1.968 179.579 177.584 0.046 0.000 1.181 140 A CA 2.024 54.066 52.037 0.009 0.000 0.623 140 A CB -0.607 18.385 19.000 -0.013 0.000 0.818 140 A HN 0.456 nan 8.150 nan 0.000 0.443 141 D N -0.824 119.532 120.400 -0.074 0.000 2.097 141 D HA -0.158 4.493 4.640 0.019 0.000 0.197 141 D C 1.800 178.231 176.300 0.218 0.000 0.984 141 D CA 1.078 55.098 54.000 0.033 0.000 0.826 141 D CB -0.391 40.410 40.800 0.001 0.000 0.973 141 D HN 0.679 nan 8.370 nan 0.000 0.460 142 W N 0.755 122.149 121.300 0.157 0.000 2.358 142 W HA -0.097 4.573 4.660 0.017 0.000 0.303 142 W C 2.273 179.002 176.519 0.350 0.000 1.208 142 W CA -0.120 57.375 57.345 0.249 0.000 1.274 142 W CB -1.610 27.999 29.460 0.247 0.000 1.138 142 W HN -0.042 nan 8.180 nan 0.000 0.515 143 F N 1.169 121.342 119.950 0.372 0.000 2.186 143 F HA -0.027 4.511 4.527 0.018 0.000 0.299 143 F C 2.367 178.156 175.800 -0.018 0.000 1.090 143 F CA 1.977 60.047 58.000 0.116 0.000 1.307 143 F CB -0.755 38.342 39.000 0.162 0.000 1.019 143 F HN -0.156 nan 8.300 nan 0.000 0.489 144 A N -0.065 122.792 122.820 0.061 0.000 1.902 144 A HA -0.247 4.085 4.320 0.019 0.000 0.217 144 A C 2.243 179.736 177.584 -0.151 0.000 1.181 144 A CA 1.824 53.816 52.037 -0.074 0.000 0.623 144 A CB -1.012 18.009 19.000 0.034 0.000 0.818 144 A HN 0.575 nan 8.150 nan 0.000 0.443 145 E N -1.570 118.616 120.200 -0.023 0.000 2.047 145 E HA -0.253 4.109 4.350 0.019 0.000 0.191 145 E C 1.917 178.455 176.600 -0.103 0.000 0.987 145 E CA 1.480 57.869 56.400 -0.018 0.000 0.799 145 E CB -0.441 29.319 29.700 0.101 0.000 0.752 145 E HN 0.630 nan 8.360 nan 0.000 0.449 146 Y N 1.802 121.922 120.300 -0.301 0.000 2.097 146 Y HA -0.232 4.329 4.550 0.019 0.000 0.282 146 Y C 2.451 177.917 175.900 -0.724 0.000 1.152 146 Y CA 2.039 59.812 58.100 -0.545 0.000 1.136 146 Y CB -0.815 36.999 38.460 -1.077 0.000 0.975 146 Y HN 0.026 nan 8.280 nan 0.000 0.498 147 S N 0.471 115.470 115.700 -1.169 0.000 2.370 147 S HA -0.246 4.235 4.470 0.019 0.000 0.226 147 S C 2.119 175.803 174.600 -1.526 0.000 1.033 147 S CA 1.514 58.774 58.200 -1.568 0.000 1.011 147 S CB -0.467 61.919 63.200 -1.357 0.000 0.852 147 S HN 0.499 nan 8.310 nan 0.000 0.457 148 R N 0.828 120.852 120.500 -0.794 0.000 2.091 148 R HA -0.102 4.249 4.340 0.019 0.000 0.238 148 R C 2.078 178.142 176.300 -0.393 0.000 1.136 148 R CA 1.413 57.256 56.100 -0.429 0.000 0.959 148 R CB -0.456 29.730 30.300 -0.190 0.000 0.856 148 R HN 0.266 nan 8.270 nan 0.000 0.437 149 V N 1.469 121.153 119.914 -0.383 0.000 2.255 149 V HA -0.286 3.846 4.120 0.019 0.000 0.247 149 V C 2.424 178.289 176.094 -0.381 0.000 1.051 149 V CA 1.883 64.014 62.300 -0.282 0.000 1.018 149 V CB -0.442 31.287 31.823 -0.157 0.000 0.641 149 V HN 0.358 nan 8.190 nan 0.000 0.445 150 L N -1.157 119.748 121.223 -0.529 0.000 2.012 150 L HA -0.200 4.151 4.340 0.019 0.000 0.210 150 L C 2.543 179.283 176.870 -0.217 0.000 1.073 150 L CA 1.753 56.351 54.840 -0.404 0.000 0.748 150 L CB -0.804 41.012 42.059 -0.404 0.000 0.891 150 L HN 0.271 nan 8.230 nan 0.000 0.431 151 F N 0.491 120.191 119.950 -0.416 0.000 2.134 151 F HA -0.173 4.365 4.527 0.019 0.000 0.299 151 F C 2.568 178.250 175.800 -0.196 0.000 1.097 151 F CA 1.001 58.759 58.000 -0.404 0.000 1.264 151 F CB -0.986 37.733 39.000 -0.469 0.000 1.001 151 F HN 0.100 nan 8.300 nan 0.000 0.479 152 E N -0.134 120.042 120.200 -0.040 0.000 2.106 152 E HA -0.148 4.214 4.350 0.019 0.000 0.192 152 E C 1.977 178.533 176.600 -0.075 0.000 0.984 152 E CA 0.999 57.365 56.400 -0.057 0.000 0.806 152 E CB -0.155 29.495 29.700 -0.082 0.000 0.750 152 E HN 0.371 nan 8.360 nan 0.000 0.458 153 N N -0.671 117.908 118.700 -0.202 0.000 2.333 153 N HA -0.031 4.721 4.740 0.019 0.000 0.178 153 N C 0.819 176.257 175.510 -0.120 0.000 1.018 153 N CA 0.872 53.740 53.050 -0.303 0.000 0.882 153 N CB 0.261 38.322 38.487 -0.710 0.000 0.984 153 N HN 0.129 nan 8.380 nan 0.000 0.434 154 F N -0.507 119.587 119.950 0.240 0.000 2.752 154 F HA 0.367 4.905 4.527 0.019 0.000 0.310 154 F C 2.226 178.257 175.800 0.385 0.000 1.097 154 F CA -0.533 57.651 58.000 0.305 0.000 1.238 154 F CB -0.672 38.553 39.000 0.376 0.000 1.061 154 F HN -0.120 nan 8.300 nan 0.000 0.591 155 G N 0.758 109.894 108.800 0.559 0.000 2.559 155 G HA2 -0.207 3.765 3.960 0.019 0.000 0.216 155 G HA3 -0.207 3.765 3.960 0.019 0.000 0.216 155 G C 1.354 176.412 174.900 0.263 0.000 1.126 155 G CA 1.082 46.467 45.100 0.476 0.000 0.778 155 G HN 0.405 nan 8.290 nan 0.000 0.543 156 D N 0.737 121.262 120.400 0.208 0.000 2.178 156 D HA -0.085 4.566 4.640 0.019 0.000 0.202 156 D C 2.229 178.616 176.300 0.145 0.000 0.974 156 D CA 0.741 54.823 54.000 0.137 0.000 0.841 156 D CB -0.224 40.642 40.800 0.110 0.000 0.953 156 D HN 0.361 nan 8.370 nan 0.000 0.478 157 R N -0.153 120.461 120.500 0.189 0.000 2.164 157 R HA 0.255 4.606 4.340 0.019 0.000 0.198 157 R C 0.370 176.741 176.300 0.118 0.000 1.028 157 R CA -0.046 56.138 56.100 0.140 0.000 1.083 157 R CB 0.686 31.063 30.300 0.128 0.000 1.026 157 R HN -0.051 nan 8.270 nan 0.000 0.514 158 V N 2.778 122.782 119.914 0.150 0.000 2.488 158 V HA 0.095 4.226 4.120 0.019 0.000 0.277 158 V C 0.540 176.716 176.094 0.137 0.000 1.046 158 V CA 0.292 62.578 62.300 -0.023 0.000 0.986 158 V CB 1.489 33.087 31.823 -0.375 0.000 0.989 158 V HN 0.172 nan 8.190 nan 0.000 0.475 159 K N 2.694 123.093 120.400 -0.002 0.000 2.402 159 K HA 0.314 4.645 4.320 0.019 0.000 0.204 159 K C -0.089 176.553 176.600 0.071 0.000 1.056 159 K CA 0.022 56.397 56.287 0.147 0.000 1.069 159 K CB 0.448 32.995 32.500 0.078 0.000 0.888 159 K HN 0.537 nan 8.250 nan 0.000 0.546 160 N N 0.118 118.633 118.700 -0.308 0.000 2.461 160 N HA 0.226 4.977 4.740 0.019 0.000 0.284 160 N C -1.357 173.802 175.510 -0.584 0.000 1.049 160 N CA -0.309 52.402 53.050 -0.564 0.000 0.889 160 N CB 1.247 38.850 38.487 -1.473 0.000 1.365 160 N HN -0.093 nan 8.380 nan 0.000 0.499 161 W N 1.998 123.169 121.300 -0.215 0.000 2.915 161 W HA 0.604 5.275 4.660 0.018 0.000 0.337 161 W C -0.326 176.123 176.519 -0.117 0.000 1.102 161 W CA -0.500 56.736 57.345 -0.182 0.000 1.224 161 W CB 1.514 30.814 29.460 -0.267 0.000 1.416 161 W HN 0.208 nan 8.180 nan 0.000 0.503 162 I N 2.262 122.916 120.570 0.141 0.000 2.466 162 I HA 0.190 4.371 4.170 0.019 0.000 0.289 162 I C 1.228 177.411 176.117 0.109 0.000 1.026 162 I CA -0.411 60.914 61.300 0.041 0.000 1.078 162 I CB 2.285 40.299 38.000 0.023 0.000 1.249 162 I HN 0.637 nan 8.210 nan 0.000 0.429 163 T N 4.477 119.096 114.554 0.109 0.000 2.668 163 T HA 0.112 4.473 4.350 0.019 0.000 0.262 163 T C 0.562 175.459 174.700 0.330 0.000 1.045 163 T CA 0.831 63.115 62.100 0.307 0.000 1.152 163 T CB -0.066 69.048 68.868 0.409 0.000 0.864 163 T HN 0.336 nan 8.240 nan 0.000 0.419 164 L N 1.424 122.702 121.223 0.091 0.000 2.386 164 L HA 0.535 4.886 4.340 0.019 0.000 0.271 164 L C -0.860 175.941 176.870 -0.116 0.000 0.993 164 L CA -1.074 53.783 54.840 0.029 0.000 0.819 164 L CB 1.852 43.812 42.059 -0.166 0.000 1.294 164 L HN 0.069 nan 8.230 nan 0.000 0.414 165 N N 2.430 121.083 118.700 -0.077 0.000 2.406 165 N HA 0.132 4.883 4.740 0.019 0.000 0.251 165 N C -0.615 174.880 175.510 -0.026 0.000 1.069 165 N CA 0.040 52.955 53.050 -0.225 0.000 0.947 165 N CB 0.344 38.396 38.487 -0.725 0.000 1.111 165 N HN 0.583 nan 8.380 nan 0.000 0.497 166 E N 1.899 122.035 120.200 -0.107 0.000 2.252 166 E HA -0.166 4.195 4.350 0.019 0.000 0.199 166 E C -1.769 174.778 176.600 -0.088 0.000 1.352 166 E CA 0.054 56.457 56.400 0.005 0.000 0.682 166 E CB -0.598 29.219 29.700 0.194 0.000 1.142 166 E HN 0.666 nan 8.360 nan 0.000 0.367 167 P HA -0.212 nan 4.420 nan 0.000 0.219 167 P C 1.269 178.436 177.300 -0.221 0.000 1.146 167 P CA 1.197 64.027 63.100 -0.449 0.000 0.808 167 P CB -0.076 31.136 31.700 -0.813 0.000 0.779 168 W N 1.017 122.189 121.300 -0.215 0.000 2.355 168 W HA -0.180 4.487 4.660 0.013 0.000 0.309 168 W C 2.042 178.384 176.519 -0.295 0.000 1.206 168 W CA 1.341 58.629 57.345 -0.095 0.000 1.284 168 W CB -0.836 28.583 29.460 -0.069 0.000 1.145 168 W HN -0.307 nan 8.180 nan 0.000 0.502 169 V N 0.262 120.150 119.914 -0.042 0.000 2.261 169 V HA -0.346 3.785 4.120 0.019 0.000 0.246 169 V C 2.168 177.856 176.094 -0.677 0.000 1.047 169 V CA 1.970 64.043 62.300 -0.377 0.000 1.015 169 V CB -1.472 30.171 31.823 -0.299 0.000 0.642 169 V HN 0.140 nan 8.190 nan 0.000 0.446 170 V N 0.376 119.900 119.914 -0.649 0.000 2.278 170 V HA -0.346 3.785 4.120 0.019 0.000 0.251 170 V C 2.666 178.542 176.094 -0.364 0.000 1.062 170 V CA 2.452 64.410 62.300 -0.570 0.000 1.038 170 V CB -1.254 30.270 31.823 -0.498 0.000 0.646 170 V HN 0.584 nan 8.190 nan 0.000 0.447 171 A N -0.245 122.308 122.820 -0.445 0.000 1.840 171 A HA -0.092 4.239 4.320 0.019 0.000 0.214 171 A C 2.102 179.381 177.584 -0.509 0.000 1.198 171 A CA 1.806 53.581 52.037 -0.437 0.000 0.608 171 A CB -0.424 18.285 19.000 -0.484 0.000 0.839 171 A HN 0.392 nan 8.150 nan 0.000 0.443 172 I N -0.249 119.766 120.570 -0.925 0.000 2.400 172 I HA -0.069 4.113 4.170 0.019 0.000 0.248 172 I C 2.423 177.872 176.117 -1.113 0.000 1.109 172 I CA 0.926 61.528 61.300 -1.164 0.000 1.425 172 I CB -1.160 35.711 38.000 -1.882 0.000 1.094 172 I HN 0.113 nan 8.210 nan 0.000 0.425 173 V N 1.142 120.436 119.914 -1.034 0.000 2.548 173 V HA -0.052 4.079 4.120 0.019 0.000 0.249 173 V C 2.549 178.357 176.094 -0.478 0.000 1.055 173 V CA 1.745 63.618 62.300 -0.710 0.000 1.065 173 V CB -1.239 30.151 31.823 -0.722 0.000 0.681 173 V HN 0.475 nan 8.190 nan 0.000 0.462 174 G N -1.051 107.468 108.800 -0.467 0.000 2.430 174 G HA2 -0.138 3.833 3.960 0.019 0.000 0.216 174 G HA3 -0.138 3.833 3.960 0.019 0.000 0.216 174 G C 1.174 175.753 174.900 -0.536 0.000 1.146 174 G CA 0.629 45.439 45.100 -0.483 0.000 0.793 174 G HN 0.662 nan 8.290 nan 0.000 0.537 175 H N -2.109 116.779 119.070 -0.304 0.000 3.241 175 H HA 0.352 4.921 4.556 0.023 0.000 0.260 175 H C 1.502 176.719 175.328 -0.185 0.000 1.084 175 H CA -0.237 55.687 56.048 -0.207 0.000 1.203 175 H CB 0.808 30.462 29.762 -0.180 0.000 1.524 175 H HN 0.245 nan 8.280 nan 0.000 0.521 176 L N -0.977 120.154 121.223 -0.153 0.000 2.519 176 L HA 0.138 4.489 4.340 0.019 0.000 0.194 176 L C 1.051 177.967 176.870 0.078 0.000 1.072 176 L CA 1.125 55.909 54.840 -0.092 0.000 0.845 176 L CB -0.357 41.578 42.059 -0.208 0.000 1.138 176 L HN 0.042 nan 8.230 nan 0.000 0.487 177 Y N 0.953 121.179 120.300 -0.123 0.000 2.395 177 Y HA 0.356 4.914 4.550 0.014 0.000 0.293 177 Y C 2.048 177.914 175.900 -0.057 0.000 1.123 177 Y CA 0.150 58.203 58.100 -0.078 0.000 1.227 177 Y CB -1.035 37.365 38.460 -0.099 0.000 1.012 177 Y HN 0.335 nan 8.280 nan 0.000 0.552 178 G N -0.503 108.324 108.800 0.044 0.000 2.155 178 G HA2 -0.289 3.682 3.960 0.019 0.000 0.257 178 G HA3 -0.289 3.682 3.960 0.019 0.000 0.257 178 G C 1.030 175.991 174.900 0.101 0.000 0.983 178 G CA 0.604 45.719 45.100 0.025 0.000 0.676 178 G HN 0.296 nan 8.290 nan 0.000 0.528 179 V N -0.489 119.479 119.914 0.091 0.000 3.052 179 V HA 0.173 4.304 4.120 0.019 0.000 0.254 179 V C 1.310 177.597 176.094 0.322 0.000 1.100 179 V CA 1.422 63.853 62.300 0.219 0.000 1.112 179 V CB -0.189 31.727 31.823 0.154 0.000 0.738 179 V HN 0.647 nan 8.190 nan 0.000 0.469 180 H N -1.252 117.673 119.070 -0.242 0.000 2.737 180 H HA 0.663 5.222 4.556 0.005 0.000 0.358 180 H C 0.244 174.696 175.328 -1.459 0.000 1.187 180 H CA -0.653 55.031 56.048 -0.606 0.000 1.221 180 H CB 1.623 31.205 29.762 -0.301 0.000 1.799 180 H HN 0.322 nan 8.280 nan 0.000 0.568 181 A N 2.040 123.631 122.820 -2.048 0.000 2.531 181 A HA 0.033 4.364 4.320 0.019 0.000 0.236 181 A C -1.673 175.425 177.584 -0.810 0.000 1.062 181 A CA -0.853 50.205 52.037 -1.632 0.000 0.760 181 A CB -0.175 17.859 19.000 -1.610 0.000 0.995 181 A HN 0.576 nan 8.150 nan 0.000 0.501 182 P HA 0.124 nan 4.420 nan 0.000 0.255 182 P C 0.704 177.826 177.300 -0.297 0.000 1.301 182 P CA 0.919 63.768 63.100 -0.419 0.000 0.817 182 P CB -0.049 31.498 31.700 -0.255 0.000 1.259 183 G N 0.177 108.724 108.800 -0.421 0.000 2.212 183 G HA2 -0.254 3.717 3.960 0.019 0.000 0.255 183 G HA3 -0.254 3.717 3.960 0.019 0.000 0.255 183 G C -0.083 174.794 174.900 -0.038 0.000 1.062 183 G CA -0.128 44.930 45.100 -0.070 0.000 0.815 183 G HN 0.270 nan 8.290 nan 0.000 0.497 184 M N -0.683 118.837 119.600 -0.134 0.000 2.528 184 M HA 0.614 5.106 4.480 0.019 0.000 0.318 184 M C 0.754 177.044 176.300 -0.017 0.000 1.195 184 M CA -0.605 54.664 55.300 -0.051 0.000 1.000 184 M CB 1.587 34.166 32.600 -0.035 0.000 1.615 184 M HN 0.120 nan 8.290 nan 0.000 0.469 185 R N 1.598 122.108 120.500 0.017 0.000 2.629 185 R HA 0.309 4.660 4.340 0.019 0.000 0.275 185 R C -1.584 174.736 176.300 0.034 0.000 1.719 185 R CA -0.430 55.689 56.100 0.032 0.000 1.472 185 R CB 0.727 31.056 30.300 0.047 0.000 1.237 185 R HN 0.572 nan 8.270 nan 0.000 0.589 186 D N 2.654 123.072 120.400 0.031 0.000 2.736 186 D HA 0.136 4.787 4.640 0.019 0.000 0.243 186 D C 0.344 176.654 176.300 0.017 0.000 1.304 186 D CA -0.512 53.516 54.000 0.046 0.000 0.934 186 D CB 1.896 42.734 40.800 0.063 0.000 1.382 186 D HN 0.325 nan 8.370 nan 0.000 0.571 187 I N 3.729 124.277 120.570 -0.037 0.000 2.493 187 I HA -0.213 3.968 4.170 0.019 0.000 0.254 187 I C 1.066 177.072 176.117 -0.185 0.000 1.160 187 I CA 1.033 62.199 61.300 -0.223 0.000 1.445 187 I CB 0.137 37.796 38.000 -0.567 0.000 1.086 187 I HN 0.417 nan 8.210 nan 0.000 0.433 188 Y N -0.519 119.699 120.300 -0.137 0.000 2.220 188 Y HA -0.158 4.402 4.550 0.018 0.000 0.291 188 Y C 2.438 178.346 175.900 0.013 0.000 1.129 188 Y CA 1.328 59.428 58.100 -0.001 0.000 1.161 188 Y CB -0.892 37.580 38.460 0.019 0.000 0.997 188 Y HN -0.064 nan 8.280 nan 0.000 0.522 189 V N -0.130 119.871 119.914 0.145 0.000 2.343 189 V HA -0.334 3.797 4.120 0.019 0.000 0.247 189 V C 2.528 178.582 176.094 -0.066 0.000 1.051 189 V CA 1.737 64.068 62.300 0.051 0.000 1.036 189 V CB -1.358 30.505 31.823 0.066 0.000 0.654 189 V HN 0.460 nan 8.190 nan 0.000 0.451 190 A N -0.537 122.221 122.820 -0.103 0.000 1.908 190 A HA -0.217 4.114 4.320 0.019 0.000 0.218 190 A C 2.023 179.378 177.584 -0.381 0.000 1.181 190 A CA 2.022 53.884 52.037 -0.291 0.000 0.627 190 A CB -0.725 18.069 19.000 -0.344 0.000 0.818 190 A HN 0.495 nan 8.150 nan 0.000 0.445 191 F N -0.331 119.530 119.950 -0.148 0.000 2.367 191 F HA -0.040 4.500 4.527 0.022 0.000 0.298 191 F C 2.479 178.226 175.800 -0.090 0.000 1.094 191 F CA 0.928 58.846 58.000 -0.138 0.000 1.409 191 F CB -0.043 38.860 39.000 -0.161 0.000 1.064 191 F HN 0.056 nan 8.300 nan 0.000 0.528 192 R N 0.409 120.961 120.500 0.086 0.000 2.096 192 R HA -0.088 4.263 4.340 0.019 0.000 0.235 192 R C 2.348 178.683 176.300 0.059 0.000 1.127 192 R CA 1.209 57.361 56.100 0.087 0.000 0.968 192 R CB -1.517 28.824 30.300 0.070 0.000 0.861 192 R HN 0.304 nan 8.270 nan 0.000 0.440 193 A N 0.820 123.588 122.820 -0.086 0.000 1.873 193 A HA -0.098 4.234 4.320 0.019 0.000 0.215 193 A C 2.506 180.038 177.584 -0.086 0.000 1.186 193 A CA 1.539 53.491 52.037 -0.142 0.000 0.616 193 A CB -0.721 17.979 19.000 -0.501 0.000 0.823 193 A HN 0.070 nan 8.150 nan 0.000 0.442 194 V N -0.188 119.659 119.914 -0.113 0.000 2.250 194 V HA -0.384 3.747 4.120 0.019 0.000 0.253 194 V C 2.520 178.731 176.094 0.194 0.000 1.065 194 V CA 2.840 65.160 62.300 0.033 0.000 1.039 194 V CB -1.045 30.732 31.823 -0.076 0.000 0.647 194 V HN 0.847 nan 8.190 nan 0.000 0.446 195 H N 0.387 119.529 119.070 0.121 0.000 2.326 195 H HA -0.082 4.485 4.556 0.018 0.000 0.301 195 H C 2.215 177.639 175.328 0.160 0.000 1.081 195 H CA 1.948 58.122 56.048 0.210 0.000 1.334 195 H CB -0.122 29.758 29.762 0.196 0.000 1.385 195 H HN 0.364 nan 8.280 nan 0.000 0.504 196 N N 0.123 118.914 118.700 0.152 0.000 2.244 196 N HA -0.107 4.645 4.740 0.019 0.000 0.183 196 N C 2.032 177.612 175.510 0.117 0.000 1.016 196 N CA 0.836 53.952 53.050 0.109 0.000 0.866 196 N CB -0.206 38.379 38.487 0.163 0.000 0.980 196 N HN 0.369 nan 8.380 nan 0.000 0.430 197 L N 0.550 121.797 121.223 0.041 0.000 2.017 197 L HA -0.118 4.233 4.340 0.019 0.000 0.208 197 L C 2.229 179.080 176.870 -0.033 0.000 1.073 197 L CA 0.830 55.567 54.840 -0.171 0.000 0.745 197 L CB -0.409 41.447 42.059 -0.339 0.000 0.894 197 L HN 0.112 nan 8.230 nan 0.000 0.432 198 L N -0.711 120.561 121.223 0.081 0.000 2.012 198 L HA -0.245 4.106 4.340 0.019 0.000 0.210 198 L C 2.842 179.752 176.870 0.068 0.000 1.073 198 L CA 1.459 56.366 54.840 0.113 0.000 0.748 198 L CB -0.435 41.673 42.059 0.082 0.000 0.891 198 L HN 0.204 nan 8.230 nan 0.000 0.431 199 R N -0.399 120.083 120.500 -0.030 0.000 2.075 199 R HA -0.111 4.240 4.340 0.019 0.000 0.232 199 R C 2.419 178.748 176.300 0.048 0.000 1.126 199 R CA 1.244 57.328 56.100 -0.026 0.000 0.963 199 R CB -0.537 29.719 30.300 -0.073 0.000 0.858 199 R HN 0.356 nan 8.270 nan 0.000 0.435 200 A N 0.816 123.687 122.820 0.085 0.000 1.877 200 A HA -0.247 4.084 4.320 0.019 0.000 0.216 200 A C 1.999 179.713 177.584 0.216 0.000 1.186 200 A CA 1.876 54.013 52.037 0.167 0.000 0.620 200 A CB -0.829 18.239 19.000 0.114 0.000 0.822 200 A HN 0.506 nan 8.150 nan 0.000 0.443 201 H N 0.202 119.272 119.070 -0.000 0.000 2.289 201 H HA -0.083 4.484 4.556 0.019 0.000 0.296 201 H C 2.072 177.453 175.328 0.087 0.000 1.091 201 H CA 2.573 58.655 56.048 0.057 0.000 1.274 201 H CB -0.397 29.341 29.762 -0.041 0.000 1.364 201 H HN 0.367 nan 8.280 nan 0.000 0.490 202 A N 0.325 123.055 122.820 -0.150 0.000 1.902 202 A HA -0.159 4.172 4.320 0.019 0.000 0.217 202 A C 2.471 179.984 177.584 -0.118 0.000 1.181 202 A CA 1.722 53.633 52.037 -0.211 0.000 0.623 202 A CB -0.661 18.312 19.000 -0.044 0.000 0.818 202 A HN 0.456 nan 8.150 nan 0.000 0.443 203 R N -0.061 120.433 120.500 -0.010 0.000 2.081 203 R HA -0.055 4.296 4.340 0.019 0.000 0.235 203 R C 2.214 178.535 176.300 0.034 0.000 1.131 203 R CA 1.744 57.859 56.100 0.025 0.000 0.960 203 R CB -0.661 29.681 30.300 0.070 0.000 0.856 203 R HN 0.442 nan 8.270 nan 0.000 0.436 204 A N -0.418 122.450 122.820 0.079 0.000 1.877 204 A HA -0.110 4.221 4.320 0.019 0.000 0.216 204 A C 2.277 179.901 177.584 0.067 0.000 1.186 204 A CA 1.754 53.834 52.037 0.073 0.000 0.620 204 A CB -0.776 18.304 19.000 0.134 0.000 0.822 204 A HN 0.173 nan 8.150 nan 0.000 0.443 205 V N 0.252 120.100 119.914 -0.109 0.000 2.287 205 V HA -0.323 3.809 4.120 0.019 0.000 0.248 205 V C 2.533 178.607 176.094 -0.034 0.000 1.053 205 V CA 2.563 64.775 62.300 -0.146 0.000 1.027 205 V CB -0.763 30.886 31.823 -0.291 0.000 0.646 205 V HN 0.689 nan 8.190 nan 0.000 0.447 206 K N -0.025 120.349 120.400 -0.043 0.000 2.020 206 K HA -0.185 4.147 4.320 0.019 0.000 0.212 206 K C 1.976 178.571 176.600 -0.007 0.000 1.050 206 K CA 1.903 58.175 56.287 -0.024 0.000 0.929 206 K CB -0.363 32.123 32.500 -0.024 0.000 0.714 206 K HN 0.310 nan 8.250 nan 0.000 0.443 207 V N 0.849 120.782 119.914 0.032 0.000 2.407 207 V HA -0.208 3.924 4.120 0.019 0.000 0.248 207 V C 1.989 178.093 176.094 0.016 0.000 1.055 207 V CA 1.756 64.088 62.300 0.053 0.000 1.049 207 V CB -0.638 31.249 31.823 0.106 0.000 0.662 207 V HN 0.333 nan 8.190 nan 0.000 0.455 208 F N 1.671 121.472 119.950 -0.249 0.000 2.095 208 F HA -0.195 4.344 4.527 0.020 0.000 0.298 208 F C 2.563 178.084 175.800 -0.466 0.000 1.104 208 F CA 1.661 59.190 58.000 -0.786 0.000 1.232 208 F CB -0.225 38.221 39.000 -0.923 0.000 0.987 208 F HN 0.012 nan 8.300 nan 0.000 0.475 209 R N 0.791 121.164 120.500 -0.211 0.000 2.152 209 R HA -0.144 4.207 4.340 0.019 0.000 0.232 209 R C 1.903 178.068 176.300 -0.225 0.000 1.117 209 R CA 1.591 57.561 56.100 -0.217 0.000 0.981 209 R CB -1.073 29.177 30.300 -0.084 0.000 0.870 209 R HN 0.510 nan 8.270 nan 0.000 0.451 210 E N -0.722 119.366 120.200 -0.186 0.000 2.318 210 E HA -0.001 4.360 4.350 0.019 0.000 0.193 210 E C 1.009 177.500 176.600 -0.182 0.000 0.998 210 E CA 1.052 57.365 56.400 -0.145 0.000 0.859 210 E CB 0.315 29.963 29.700 -0.087 0.000 0.812 210 E HN 0.261 nan 8.360 nan 0.000 0.492 211 T N -0.351 114.039 114.554 -0.274 0.000 3.038 211 T HA 0.108 4.469 4.350 0.019 0.000 0.244 211 T C 0.589 175.061 174.700 -0.379 0.000 1.016 211 T CA 0.100 62.045 62.100 -0.258 0.000 1.098 211 T CB 0.766 69.543 68.868 -0.152 0.000 0.954 211 T HN -0.151 nan 8.240 nan 0.000 0.469 212 V N 3.030 122.525 119.914 -0.697 0.000 2.276 212 V HA 0.325 4.456 4.120 0.019 0.000 0.268 212 V C 0.429 176.107 176.094 -0.694 0.000 1.032 212 V CA -0.713 61.136 62.300 -0.752 0.000 0.810 212 V CB 1.021 32.151 31.823 -1.156 0.000 1.060 212 V HN 0.292 nan 8.190 nan 0.000 0.446 213 K N 0.512 120.688 120.400 -0.374 0.000 2.486 213 K HA 0.037 4.368 4.320 0.019 0.000 0.194 213 K C 0.654 177.151 176.600 -0.171 0.000 1.033 213 K CA 0.591 56.723 56.287 -0.258 0.000 1.004 213 K CB 0.297 32.697 32.500 -0.167 0.000 0.798 213 K HN 0.434 nan 8.250 nan 0.000 0.495 214 D N 0.313 120.622 120.400 -0.152 0.000 2.440 214 D HA 0.098 4.750 4.640 0.019 0.000 0.216 214 D C 0.259 176.561 176.300 0.003 0.000 1.150 214 D CA 0.135 54.103 54.000 -0.053 0.000 0.832 214 D CB 0.700 41.486 40.800 -0.023 0.000 0.992 214 D HN 0.181 nan 8.370 nan 0.000 0.502 215 G N -0.177 108.612 108.800 -0.019 0.000 2.552 215 G HA2 0.588 4.559 3.960 0.019 0.000 0.324 215 G HA3 0.588 4.559 3.960 0.019 0.000 0.324 215 G C -0.452 174.702 174.900 0.423 0.000 1.217 215 G CA -0.469 44.781 45.100 0.251 0.000 0.989 215 G HN -0.116 nan 8.290 nan 0.000 0.490 216 K N -0.714 119.960 120.400 0.456 0.000 2.316 216 K HA 0.574 4.905 4.320 0.019 0.000 0.251 216 K C -1.545 175.166 176.600 0.185 0.000 0.934 216 K CA -0.618 55.882 56.287 0.355 0.000 0.802 216 K CB 2.634 35.321 32.500 0.310 0.000 1.171 216 K HN 0.329 nan 8.250 nan 0.000 0.426 217 I N 0.787 121.302 120.570 -0.091 0.000 2.582 217 I HA 0.634 4.815 4.170 0.019 0.000 0.292 217 I C -0.659 175.069 176.117 -0.648 0.000 1.066 217 I CA -0.003 61.007 61.300 -0.482 0.000 1.053 217 I CB 2.004 39.363 38.000 -1.067 0.000 1.241 217 I HN 0.703 nan 8.210 nan 0.000 0.421 218 G N 6.213 114.383 108.800 -1.050 0.000 3.021 218 G HA2 0.725 4.696 3.960 0.019 0.000 0.290 218 G HA3 0.725 4.696 3.960 0.019 0.000 0.290 218 G C -1.818 172.720 174.900 -0.602 0.000 1.291 218 G CA -0.589 43.765 45.100 -1.243 0.000 0.834 218 G HN 0.828 nan 8.290 nan 0.000 0.564 219 I N -0.947 119.287 120.570 -0.560 0.000 2.841 219 I HA 0.644 4.825 4.170 0.019 0.000 0.298 219 I C -1.506 174.152 176.117 -0.765 0.000 1.304 219 I CA -0.914 60.048 61.300 -0.564 0.000 1.019 219 I CB 2.278 39.867 38.000 -0.685 0.000 1.282 219 I HN 0.373 nan 8.210 nan 0.000 0.432 220 V N 6.513 125.958 119.914 -0.782 0.000 2.495 220 V HA 0.553 4.684 4.120 0.019 0.000 0.298 220 V C -0.956 174.651 176.094 -0.812 0.000 1.031 220 V CA -0.321 61.603 62.300 -0.627 0.000 0.871 220 V CB 1.596 33.254 31.823 -0.275 0.000 0.988 220 V HN 0.468 nan 8.190 nan 0.000 0.432 221 F N 3.459 123.405 119.950 -0.007 0.000 2.546 221 F HA 0.513 5.051 4.527 0.017 0.000 0.320 221 F C 0.507 176.352 175.800 0.075 0.000 1.076 221 F CA -1.235 56.769 58.000 0.005 0.000 0.928 221 F CB 1.359 40.413 39.000 0.090 0.000 1.189 221 F HN 0.551 nan 8.300 nan 0.000 0.465 222 N N 2.154 120.998 118.700 0.240 0.000 2.503 222 N HA 0.284 5.035 4.740 0.019 0.000 0.267 222 N C -1.241 174.368 175.510 0.165 0.000 1.214 222 N CA -0.318 52.833 53.050 0.169 0.000 0.959 222 N CB 1.021 39.556 38.487 0.080 0.000 1.142 222 N HN 0.641 nan 8.380 nan 0.000 0.455 223 N N -0.674 118.142 118.700 0.192 0.000 2.324 223 N HA 0.354 5.106 4.740 0.019 0.000 0.285 223 N C -0.936 174.688 175.510 0.190 0.000 1.076 223 N CA -0.672 52.522 53.050 0.241 0.000 0.864 223 N CB 2.358 41.109 38.487 0.439 0.000 1.632 223 N HN 0.739 nan 8.380 nan 0.000 0.478 224 G N 0.118 108.926 108.800 0.014 0.000 2.432 224 G HA2 0.369 4.340 3.960 0.019 0.000 0.331 224 G HA3 0.369 4.340 3.960 0.019 0.000 0.331 224 G C -1.525 173.223 174.900 -0.254 0.000 1.170 224 G CA -0.242 44.689 45.100 -0.281 0.000 0.943 224 G HN 0.436 nan 8.290 nan 0.000 0.483 225 Y N 2.074 122.250 120.300 -0.207 0.000 2.535 225 Y HA 0.563 5.124 4.550 0.018 0.000 0.349 225 Y C -1.039 174.594 175.900 -0.446 0.000 0.992 225 Y CA -2.238 55.692 58.100 -0.284 0.000 1.248 225 Y CB -0.156 38.265 38.460 -0.066 0.000 1.124 225 Y HN 0.242 nan 8.280 nan 0.000 0.520 226 F N 4.252 124.082 119.950 -0.200 0.000 2.411 226 F HA 0.427 4.964 4.527 0.016 0.000 0.350 226 F C 0.253 175.761 175.800 -0.488 0.000 1.114 226 F CA -0.570 57.306 58.000 -0.207 0.000 1.135 226 F CB 0.958 39.954 39.000 -0.007 0.000 1.120 226 F HN 0.372 nan 8.300 nan 0.000 0.495 227 E N 4.497 124.559 120.200 -0.229 0.000 2.238 227 E HA 0.364 4.725 4.350 0.019 0.000 0.267 227 E C -2.605 173.961 176.600 -0.057 0.000 0.887 227 E CA -2.357 53.886 56.400 -0.261 0.000 0.769 227 E CB 2.235 31.707 29.700 -0.380 0.000 1.187 227 E HN 0.214 nan 8.360 nan 0.000 0.416 228 P HA 0.071 nan 4.420 nan 0.000 0.279 228 P C -0.258 177.052 177.300 0.017 0.000 1.239 228 P CA -0.025 63.082 63.100 0.012 0.000 0.789 228 P CB 1.419 33.129 31.700 0.016 0.000 0.933 229 A N 2.595 125.437 122.820 0.036 0.000 2.119 229 A HA 0.025 4.356 4.320 0.019 0.000 0.217 229 A C 1.316 178.919 177.584 0.032 0.000 1.153 229 A CA 1.817 53.877 52.037 0.039 0.000 0.692 229 A CB -0.581 18.449 19.000 0.050 0.000 0.799 229 A HN 0.745 nan 8.150 nan 0.000 0.458 230 S N -1.563 114.155 115.700 0.030 0.000 4.185 230 S HA 0.615 5.096 4.470 0.019 0.000 0.278 230 S C -0.579 174.034 174.600 0.022 0.000 1.080 230 S CA 0.139 58.355 58.200 0.026 0.000 1.356 230 S CB 0.564 63.782 63.200 0.029 0.000 1.483 230 S HN 0.529 nan 8.310 nan 0.000 0.715 238 A N 1.124 123.995 122.820 0.086 0.000 1.978 238 A HA -0.060 4.271 4.320 0.019 0.000 0.220 238 A C 1.841 179.470 177.584 0.075 0.000 1.170 238 A CA 1.876 53.968 52.037 0.092 0.000 0.636 238 A CB -0.375 18.668 19.000 0.071 0.000 0.810 238 A HN 0.138 nan 8.150 nan 0.000 0.448 239 V N -0.284 119.667 119.914 0.062 0.000 2.358 239 V HA -0.220 3.911 4.120 0.019 0.000 0.246 239 V C 2.600 178.756 176.094 0.104 0.000 1.047 239 V CA 2.052 64.387 62.300 0.059 0.000 1.035 239 V CB -0.735 31.129 31.823 0.069 0.000 0.658 239 V HN 0.522 nan 8.190 nan 0.000 0.452 240 R N -0.994 119.588 120.500 0.136 0.000 2.096 240 R HA -0.154 4.198 4.340 0.019 0.000 0.235 240 R C 2.244 178.651 176.300 0.178 0.000 1.127 240 R CA 1.847 58.053 56.100 0.178 0.000 0.968 240 R CB -0.442 29.950 30.300 0.154 0.000 0.861 240 R HN 0.562 nan 8.270 nan 0.000 0.440 241 F N 1.104 121.064 119.950 0.016 0.000 2.113 241 F HA -0.173 4.365 4.527 0.018 0.000 0.297 241 F C 2.155 177.927 175.800 -0.047 0.000 1.103 241 F CA 1.325 59.313 58.000 -0.019 0.000 1.248 241 F CB -0.057 38.892 39.000 -0.085 0.000 0.999 241 F HN -0.140 nan 8.300 nan 0.000 0.475 242 M N -0.188 119.228 119.600 -0.307 0.000 2.159 242 M HA -0.200 4.291 4.480 0.019 0.000 0.263 242 M C 2.274 178.246 176.300 -0.546 0.000 1.063 242 M CA 1.880 56.758 55.300 -0.702 0.000 1.110 242 M CB -1.850 30.014 32.600 -1.228 0.000 1.374 242 M HN 0.391 nan 8.290 nan 0.000 0.411 243 H N 0.244 119.176 119.070 -0.230 0.000 2.326 243 H HA -0.077 4.490 4.556 0.018 0.000 0.301 243 H C 1.996 177.262 175.328 -0.104 0.000 1.081 243 H CA 2.018 58.096 56.048 0.049 0.000 1.334 243 H CB 0.029 29.942 29.762 0.251 0.000 1.385 243 H HN 0.438 nan 8.280 nan 0.000 0.504 244 Q N -1.425 118.259 119.800 -0.195 0.000 2.167 244 Q HA -0.091 4.260 4.340 0.019 0.000 0.202 244 Q C 1.621 177.495 176.000 -0.211 0.000 0.970 244 Q CA 1.259 56.934 55.803 -0.213 0.000 0.855 244 Q CB 0.002 28.726 28.738 -0.023 0.000 0.911 244 Q HN 0.469 nan 8.270 nan 0.000 0.438 245 F N 0.634 120.282 119.950 -0.503 0.000 2.274 245 F HA 0.085 4.623 4.527 0.019 0.000 0.288 245 F C 1.642 177.225 175.800 -0.361 0.000 1.069 245 F CA 0.966 58.709 58.000 -0.429 0.000 1.343 245 F CB -0.066 38.432 39.000 -0.837 0.000 1.089 245 F HN -0.060 nan 8.300 nan 0.000 0.517 246 N N -0.051 118.208 118.700 -0.735 0.000 2.415 246 N HA -0.036 4.715 4.740 0.019 0.000 0.176 246 N C -0.060 175.049 175.510 -0.669 0.000 1.042 246 N CA 0.140 52.533 53.050 -1.096 0.000 0.902 246 N CB 0.109 38.211 38.487 -0.641 0.000 0.986 246 N HN 0.227 nan 8.380 nan 0.000 0.447 247 N N 0.181 118.650 118.700 -0.386 0.000 2.643 247 N HA 0.057 4.808 4.740 0.019 0.000 0.305 247 N C 0.910 176.183 175.510 -0.395 0.000 1.283 247 N CA -0.444 52.434 53.050 -0.287 0.000 0.946 247 N CB -0.168 38.180 38.487 -0.232 0.000 1.149 247 N HN 0.048 nan 8.380 nan 0.000 0.600 248 Y N -0.991 119.221 120.300 -0.147 0.000 2.298 248 Y HA 0.052 4.613 4.550 0.018 0.000 0.287 248 Y C -1.251 174.389 175.900 -0.433 0.000 1.164 248 Y CA 0.772 58.622 58.100 -0.417 0.000 1.229 248 Y CB -2.151 36.172 38.460 -0.229 0.000 0.977 248 Y HN 0.431 nan 8.280 nan 0.000 0.538 249 P HA -0.163 nan 4.420 nan 0.000 0.220 249 P C 1.835 179.019 177.300 -0.194 0.000 1.148 249 P CA 1.089 64.072 63.100 -0.195 0.000 0.803 249 P CB -0.066 31.520 31.700 -0.189 0.000 0.782 250 L N -1.626 119.445 121.223 -0.254 0.000 2.089 250 L HA -0.176 4.175 4.340 0.019 0.000 0.213 250 L C 1.749 178.291 176.870 -0.547 0.000 1.079 250 L CA 2.103 56.756 54.840 -0.312 0.000 0.758 250 L CB -1.072 40.742 42.059 -0.408 0.000 0.891 250 L HN -0.103 nan 8.230 nan 0.000 0.433 251 F N -2.334 117.469 119.950 -0.246 0.000 2.500 251 F HA 0.139 4.677 4.527 0.018 0.000 0.285 251 F C 2.057 177.660 175.800 -0.328 0.000 1.088 251 F CA 0.212 58.052 58.000 -0.267 0.000 1.432 251 F CB -0.309 38.502 39.000 -0.315 0.000 1.131 251 F HN -0.159 nan 8.300 nan 0.000 0.582 252 L N -0.126 120.900 121.223 -0.329 0.000 2.217 252 L HA -0.129 4.222 4.340 0.019 0.000 0.211 252 L C 1.864 178.435 176.870 -0.499 0.000 1.107 252 L CA 0.994 55.572 54.840 -0.435 0.000 0.783 252 L CB -0.572 41.090 42.059 -0.663 0.000 0.919 252 L HN 0.198 nan 8.230 nan 0.000 0.442 253 N N -0.077 118.436 118.700 -0.312 0.000 2.106 253 N HA -0.120 4.632 4.740 0.019 0.000 0.188 253 N C -0.932 174.552 175.510 -0.044 0.000 1.029 253 N CA 1.293 54.340 53.050 -0.005 0.000 0.848 253 N CB -0.473 38.093 38.487 0.132 0.000 1.007 253 N HN 0.047 nan 8.380 nan 0.000 0.423 254 P HA -0.133 nan 4.420 nan 0.000 0.215 254 P C 1.107 178.336 177.300 -0.119 0.000 1.157 254 P CA 1.211 64.184 63.100 -0.211 0.000 0.874 254 P CB 0.053 31.536 31.700 -0.360 0.000 0.790 255 I N -2.994 117.494 120.570 -0.136 0.000 2.252 255 I HA -0.253 3.928 4.170 0.019 0.000 0.245 255 I C 2.093 178.057 176.117 -0.255 0.000 1.102 255 I CA 1.629 62.812 61.300 -0.196 0.000 1.385 255 I CB -0.480 37.367 38.000 -0.256 0.000 1.064 255 I HN -0.063 nan 8.210 nan 0.000 0.414 256 Y N -0.081 120.197 120.300 -0.037 0.000 2.476 256 Y HA 0.108 4.668 4.550 0.018 0.000 0.283 256 Y C 2.212 178.163 175.900 0.085 0.000 1.109 256 Y CA 0.628 58.759 58.100 0.051 0.000 1.246 256 Y CB 0.143 38.685 38.460 0.136 0.000 1.068 256 Y HN -0.051 nan 8.280 nan 0.000 0.552 257 R N -1.416 119.208 120.500 0.207 0.000 2.487 257 R HA 0.277 4.628 4.340 0.019 0.000 0.272 257 R C 1.063 177.414 176.300 0.085 0.000 0.928 257 R CA 0.617 56.815 56.100 0.162 0.000 1.077 257 R CB 0.920 31.345 30.300 0.208 0.000 1.265 257 R HN 0.280 nan 8.270 nan 0.000 0.537 258 G N 2.049 110.872 108.800 0.037 0.000 2.136 258 G HA2 -0.262 3.709 3.960 0.019 0.000 0.242 258 G HA3 -0.262 3.709 3.960 0.019 0.000 0.242 258 G C -0.424 174.484 174.900 0.013 0.000 0.989 258 G CA 0.640 45.746 45.100 0.010 0.000 0.682 258 G HN 0.398 nan 8.290 nan 0.000 0.522 259 D N -2.007 118.395 120.400 0.003 0.000 2.622 259 D HA 0.530 5.181 4.640 0.019 0.000 0.255 259 D C -0.124 176.139 176.300 -0.062 0.000 1.246 259 D CA -0.708 53.312 54.000 0.033 0.000 0.795 259 D CB 0.562 41.443 40.800 0.135 0.000 1.369 259 D HN -0.012 nan 8.370 nan 0.000 0.425 260 Y N 0.636 120.998 120.300 0.104 0.000 2.511 260 Y HA 0.260 4.822 4.550 0.019 0.000 0.347 260 Y C -1.382 174.545 175.900 0.046 0.000 1.257 260 Y CA -0.843 57.265 58.100 0.013 0.000 1.469 260 Y CB -0.114 38.298 38.460 -0.079 0.000 1.353 260 Y HN 0.174 nan 8.280 nan 0.000 0.617 261 P HA -0.015 nan 4.420 nan 0.000 0.272 261 P C 0.507 177.899 177.300 0.154 0.000 1.240 261 P CA -0.144 63.054 63.100 0.165 0.000 0.791 261 P CB 0.683 32.463 31.700 0.133 0.000 0.978 262 E N 0.754 121.034 120.200 0.133 0.000 2.051 262 E HA -0.142 4.219 4.350 0.019 0.000 0.192 262 E C 1.479 178.149 176.600 0.117 0.000 0.991 262 E CA 1.163 57.630 56.400 0.112 0.000 0.799 262 E CB -0.282 29.475 29.700 0.096 0.000 0.748 262 E HN 0.339 nan 8.360 nan 0.000 0.449 263 L N 0.466 121.782 121.223 0.156 0.000 2.313 263 L HA -0.066 4.285 4.340 0.019 0.000 0.214 263 L C 2.420 179.475 176.870 0.309 0.000 1.119 263 L CA 0.062 55.035 54.840 0.222 0.000 0.809 263 L CB -0.060 42.178 42.059 0.298 0.000 0.933 263 L HN 0.072 nan 8.230 nan 0.000 0.449 264 V N 0.350 120.406 119.914 0.237 0.000 2.307 264 V HA -0.261 3.870 4.120 0.019 0.000 0.245 264 V C 2.422 178.542 176.094 0.043 0.000 1.045 264 V CA 1.565 63.995 62.300 0.216 0.000 1.024 264 V CB -0.289 31.645 31.823 0.185 0.000 0.651 264 V HN 0.336 nan 8.190 nan 0.000 0.449 265 L N -0.373 120.855 121.223 0.007 0.000 2.042 265 L HA -0.215 4.136 4.340 0.019 0.000 0.210 265 L C 2.600 179.401 176.870 -0.115 0.000 1.076 265 L CA 1.716 56.501 54.840 -0.093 0.000 0.749 265 L CB -0.709 41.348 42.059 -0.003 0.000 0.893 265 L HN 0.399 nan 8.230 nan 0.000 0.432 266 E N -0.293 119.892 120.200 -0.026 0.000 2.070 266 E HA -0.288 4.073 4.350 0.019 0.000 0.197 266 E C 2.025 178.573 176.600 -0.088 0.000 1.004 266 E CA 1.873 58.247 56.400 -0.044 0.000 0.805 266 E CB -0.224 29.478 29.700 0.004 0.000 0.744 266 E HN 0.424 nan 8.360 nan 0.000 0.451 267 F N 0.175 120.001 119.950 -0.206 0.000 2.293 267 F HA 0.070 4.607 4.527 0.018 0.000 0.297 267 F C 1.716 177.257 175.800 -0.431 0.000 1.089 267 F CA 1.350 59.183 58.000 -0.278 0.000 1.377 267 F CB 0.188 39.050 39.000 -0.230 0.000 1.051 267 F HN -0.091 nan 8.300 nan 0.000 0.511 268 A N -0.622 121.760 122.820 -0.730 0.000 2.508 268 A HA 0.277 4.608 4.320 0.019 0.000 0.250 268 A C 1.730 178.666 177.584 -1.080 0.000 1.208 268 A CA 0.058 51.351 52.037 -1.239 0.000 0.960 268 A CB -0.409 17.655 19.000 -1.560 0.000 1.099 268 A HN 0.253 nan 8.150 nan 0.000 0.542 269 R N 2.261 122.325 120.500 -0.727 0.000 2.103 269 R HA -0.201 4.150 4.340 0.019 0.000 0.242 269 R C 1.842 177.822 176.300 -0.534 0.000 1.142 269 R CA 2.454 58.244 56.100 -0.517 0.000 0.960 269 R CB -0.461 29.662 30.300 -0.295 0.000 0.858 269 R HN 0.695 nan 8.270 nan 0.000 0.439 270 E N -1.010 118.761 120.200 -0.715 0.000 2.268 270 E HA -0.211 4.150 4.350 0.019 0.000 0.195 270 E C 0.838 177.098 176.600 -0.567 0.000 0.995 270 E CA 1.062 57.110 56.400 -0.587 0.000 0.836 270 E CB -0.307 29.029 29.700 -0.606 0.000 0.763 270 E HN 0.496 nan 8.360 nan 0.000 0.491 271 Y N 0.495 120.408 120.300 -0.645 0.000 2.523 271 Y HA 0.249 4.812 4.550 0.021 0.000 0.279 271 Y C 0.872 176.566 175.900 -0.344 0.000 1.139 271 Y CA -0.423 57.253 58.100 -0.707 0.000 1.296 271 Y CB -0.074 37.880 38.460 -0.842 0.000 1.045 271 Y HN -0.020 nan 8.280 nan 0.000 0.538 272 L N 1.709 122.766 121.223 -0.276 0.000 2.439 272 L HA 0.341 4.693 4.340 0.019 0.000 0.261 272 L C -2.091 174.730 176.870 -0.082 0.000 1.153 272 L CA -2.205 52.500 54.840 -0.226 0.000 0.808 272 L CB -0.046 41.722 42.059 -0.485 0.000 1.126 272 L HN -0.146 nan 8.230 nan 0.000 0.460 273 P HA 0.017 nan 4.420 nan 0.000 0.269 273 P C 0.372 177.712 177.300 0.067 0.000 1.215 273 P CA -0.146 62.957 63.100 0.006 0.000 0.780 273 P CB 0.493 32.179 31.700 -0.023 0.000 0.898 274 E N 1.952 122.181 120.200 0.048 0.000 2.085 274 E HA -0.221 4.140 4.350 0.019 0.000 0.194 274 E C 0.101 176.713 176.600 0.021 0.000 0.994 274 E CA 1.344 57.770 56.400 0.042 0.000 0.801 274 E CB -0.183 29.526 29.700 0.014 0.000 0.743 274 E HN 0.463 nan 8.360 nan 0.000 0.453 275 N N -0.023 118.675 118.700 -0.003 0.000 2.453 275 N HA 0.054 4.805 4.740 0.019 0.000 0.270 275 N C 0.265 175.725 175.510 -0.083 0.000 1.195 275 N CA -0.170 52.840 53.050 -0.067 0.000 0.902 275 N CB 0.317 38.783 38.487 -0.035 0.000 1.186 275 N HN 0.306 nan 8.380 nan 0.000 0.510 276 Y N 0.220 120.476 120.300 -0.075 0.000 2.256 276 Y HA -0.066 4.496 4.550 0.020 0.000 0.288 276 Y C 1.662 177.613 175.900 0.085 0.000 1.155 276 Y CA 1.043 59.059 58.100 -0.141 0.000 1.203 276 Y CB -0.138 38.136 38.460 -0.311 0.000 0.980 276 Y HN -0.078 nan 8.280 nan 0.000 0.530 277 K N 0.367 120.280 120.400 -0.813 0.000 2.209 277 K HA -0.164 4.168 4.320 0.019 0.000 0.204 277 K C 1.255 177.771 176.600 -0.139 0.000 1.048 277 K CA 1.401 57.398 56.287 -0.482 0.000 0.940 277 K CB -0.243 31.938 32.500 -0.532 0.000 0.729 277 K HN 0.402 nan 8.250 nan 0.000 0.451 278 D N 1.068 121.413 120.400 -0.092 0.000 2.265 278 D HA -0.152 4.499 4.640 0.019 0.000 0.208 278 D C 0.991 177.311 176.300 0.033 0.000 0.977 278 D CA 1.140 55.128 54.000 -0.020 0.000 0.871 278 D CB -0.080 40.717 40.800 -0.006 0.000 0.925 278 D HN 0.211 nan 8.370 nan 0.000 0.485 279 D N -0.758 119.705 120.400 0.105 0.000 2.360 279 D HA 0.035 4.686 4.640 0.019 0.000 0.210 279 D C 1.888 178.227 176.300 0.066 0.000 1.047 279 D CA -0.030 54.037 54.000 0.111 0.000 0.854 279 D CB 0.240 41.167 40.800 0.211 0.000 0.936 279 D HN 0.138 nan 8.370 nan 0.000 0.514 280 M N 0.910 120.550 119.600 0.066 0.000 2.229 280 M HA -0.103 4.388 4.480 0.019 0.000 0.264 280 M C 2.322 178.624 176.300 0.004 0.000 1.063 280 M CA 0.851 56.170 55.300 0.033 0.000 1.114 280 M CB -0.749 31.870 32.600 0.032 0.000 1.387 280 M HN -0.017 nan 8.290 nan 0.000 0.420 281 S N 1.054 116.756 115.700 0.003 0.000 2.370 281 S HA -0.163 4.319 4.470 0.019 0.000 0.226 281 S C 1.551 176.147 174.600 -0.007 0.000 1.033 281 S CA 1.403 59.602 58.200 -0.002 0.000 1.011 281 S CB -0.620 62.579 63.200 -0.002 0.000 0.852 281 S HN 0.499 nan 8.310 nan 0.000 0.457 282 E N 1.907 122.104 120.200 -0.006 0.000 2.107 282 E HA 0.052 4.413 4.350 0.019 0.000 0.191 282 E C 2.123 178.711 176.600 -0.019 0.000 0.982 282 E CA 0.651 57.043 56.400 -0.012 0.000 0.809 282 E CB -0.823 28.871 29.700 -0.008 0.000 0.756 282 E HN 0.604 nan 8.360 nan 0.000 0.459 283 I N 1.386 121.945 120.570 -0.018 0.000 2.454 283 I HA -0.243 3.939 4.170 0.019 0.000 0.254 283 I C 2.179 178.285 176.117 -0.018 0.000 1.156 283 I CA 1.089 62.381 61.300 -0.012 0.000 1.433 283 I CB -0.282 37.696 38.000 -0.037 0.000 1.082 283 I HN 0.050 nan 8.210 nan 0.000 0.432 284 Q N 0.681 120.461 119.800 -0.035 0.000 2.515 284 Q HA -0.103 4.248 4.340 0.019 0.000 0.214 284 Q C 0.398 176.358 176.000 -0.067 0.000 0.971 284 Q CA 0.004 55.773 55.803 -0.057 0.000 0.952 284 Q CB -0.206 28.512 28.738 -0.033 0.000 0.999 284 Q HN 0.305 nan 8.270 nan 0.000 0.524 285 E N 2.462 122.629 120.200 -0.054 0.000 2.765 285 E HA -0.131 4.231 4.350 0.019 0.000 0.256 285 E C -0.430 176.123 176.600 -0.078 0.000 0.935 285 E CA 0.485 56.847 56.400 -0.063 0.000 0.954 285 E CB 0.353 30.001 29.700 -0.087 0.000 0.908 285 E HN -0.052 nan 8.360 nan 0.000 0.500 286 K N 5.084 125.449 120.400 -0.059 0.000 2.412 286 K HA 0.113 4.444 4.320 0.019 0.000 0.281 286 K C 0.101 176.671 176.600 -0.050 0.000 1.027 286 K CA -0.207 56.048 56.287 -0.054 0.000 0.989 286 K CB 0.098 32.596 32.500 -0.002 0.000 0.935 286 K HN 0.613 nan 8.250 nan 0.000 0.475 287 I N 0.515 121.049 120.570 -0.060 0.000 2.707 287 I HA 0.278 4.459 4.170 0.019 0.000 0.309 287 I C 0.042 176.173 176.117 0.024 0.000 1.001 287 I CA -0.796 60.475 61.300 -0.048 0.000 1.129 287 I CB 1.724 39.688 38.000 -0.060 0.000 1.308 287 I HN 0.526 nan 8.210 nan 0.000 0.466 288 D N 2.728 123.135 120.400 0.013 0.000 2.277 288 D HA 0.149 4.800 4.640 0.019 0.000 0.209 288 D C -0.084 176.414 176.300 0.331 0.000 0.970 288 D CA 1.424 55.530 54.000 0.177 0.000 0.874 288 D CB 0.351 41.303 40.800 0.254 0.000 0.982 288 D HN 0.564 nan 8.370 nan 0.000 0.504 289 F N -1.518 118.527 119.950 0.158 0.000 2.713 289 F HA 0.571 5.108 4.527 0.017 0.000 0.311 289 F C -1.482 174.432 175.800 0.190 0.000 1.141 289 F CA -1.381 56.747 58.000 0.213 0.000 0.939 289 F CB 1.165 40.374 39.000 0.347 0.000 1.325 289 F HN -0.408 nan 8.300 nan 0.000 0.453 290 V N 1.596 121.749 119.914 0.398 0.000 2.448 290 V HA 0.763 4.894 4.120 0.019 0.000 0.295 290 V C 0.228 176.571 176.094 0.415 0.000 1.025 290 V CA -0.469 61.991 62.300 0.266 0.000 0.859 290 V CB 1.428 33.411 31.823 0.267 0.000 0.988 290 V HN 1.154 nan 8.190 nan 0.000 0.431 291 G N 4.809 113.772 108.800 0.270 0.000 2.332 291 G HA2 0.664 4.635 3.960 0.019 0.000 0.310 291 G HA3 0.664 4.635 3.960 0.019 0.000 0.310 291 G C -0.931 174.078 174.900 0.182 0.000 1.123 291 G CA -0.470 44.794 45.100 0.274 0.000 0.873 291 G HN 0.588 nan 8.290 nan 0.000 0.460 292 L N 2.382 123.746 121.223 0.236 0.000 2.322 292 L HA 0.389 4.741 4.340 0.019 0.000 0.281 292 L C -0.638 176.372 176.870 0.234 0.000 1.014 292 L CA -1.189 53.810 54.840 0.265 0.000 0.815 292 L CB 1.891 44.123 42.059 0.289 0.000 1.247 292 L HN 0.341 nan 8.230 nan 0.000 0.421 293 N N 2.166 121.003 118.700 0.227 0.000 2.456 293 N HA 0.435 5.187 4.740 0.019 0.000 0.288 293 N C -1.366 174.312 175.510 0.281 0.000 1.059 293 N CA -0.268 52.900 53.050 0.197 0.000 0.946 293 N CB 1.611 40.215 38.487 0.194 0.000 1.150 293 N HN 0.423 nan 8.380 nan 0.000 0.479 294 Y N 1.615 121.928 120.300 0.022 0.000 2.433 294 Y HA 0.358 4.923 4.550 0.024 0.000 0.337 294 Y C -1.002 174.837 175.900 -0.102 0.000 1.026 294 Y CA -0.563 57.583 58.100 0.076 0.000 1.037 294 Y CB 0.832 39.387 38.460 0.158 0.000 1.245 294 Y HN 0.575 nan 8.280 nan 0.000 0.443 295 Y N 1.729 121.471 120.300 -0.930 0.000 2.640 295 Y HA 0.321 4.889 4.550 0.029 0.000 0.274 295 Y C 0.567 176.175 175.900 -0.486 0.000 1.164 295 Y CA 0.537 58.374 58.100 -0.438 0.000 1.189 295 Y CB 0.878 39.247 38.460 -0.153 0.000 1.333 295 Y HN 0.551 nan 8.280 nan 0.000 0.494 296 S N -0.930 114.368 115.700 -0.670 0.000 2.643 296 S HA 0.791 5.273 4.470 0.019 0.000 0.270 296 S C -0.444 173.940 174.600 -0.361 0.000 1.166 296 S CA -0.464 57.534 58.200 -0.337 0.000 0.815 296 S CB 1.592 64.602 63.200 -0.317 0.000 1.139 296 S HN 0.271 nan 8.310 nan 0.000 0.472 297 G N -0.225 108.393 108.800 -0.303 0.000 2.489 297 G HA2 0.713 4.685 3.960 0.019 0.000 0.327 297 G HA3 0.713 4.685 3.960 0.019 0.000 0.327 297 G C -1.493 172.987 174.900 -0.700 0.000 1.189 297 G CA -0.614 44.282 45.100 -0.341 0.000 0.962 297 G HN 0.711 nan 8.290 nan 0.000 0.486 298 H N 0.224 119.224 119.070 -0.117 0.000 2.877 298 H HA 0.257 4.822 4.556 0.016 0.000 0.347 298 H C -1.093 174.325 175.328 0.150 0.000 1.042 298 H CA -0.612 55.471 56.048 0.057 0.000 1.276 298 H CB 2.278 32.176 29.762 0.227 0.000 1.681 298 H HN 0.331 nan 8.280 nan 0.000 0.521 299 L N 3.453 124.826 121.223 0.251 0.000 2.367 299 L HA 0.277 4.628 4.340 0.019 0.000 0.275 299 L C -0.534 176.507 176.870 0.285 0.000 1.129 299 L CA -0.046 54.909 54.840 0.192 0.000 0.839 299 L CB 0.659 42.790 42.059 0.120 0.000 1.133 299 L HN 0.368 nan 8.230 nan 0.000 0.453 300 V N 5.044 125.068 119.914 0.183 0.000 2.709 300 V HA 0.623 4.755 4.120 0.019 0.000 0.308 300 V C -0.770 175.351 176.094 0.044 0.000 1.062 300 V CA -0.799 61.566 62.300 0.109 0.000 0.901 300 V CB 2.177 34.066 31.823 0.111 0.000 1.003 300 V HN 0.855 nan 8.190 nan 0.000 0.425 301 K N 3.526 123.924 120.400 -0.004 0.000 2.502 301 K HA 0.650 4.982 4.320 0.019 0.000 0.257 301 K C -0.863 175.741 176.600 0.007 0.000 0.938 301 K CA -0.751 55.551 56.287 0.025 0.000 0.819 301 K CB 2.107 34.628 32.500 0.034 0.000 1.333 301 K HN 0.368 nan 8.250 nan 0.000 0.434 302 F N 2.308 122.217 119.950 -0.068 0.000 2.595 302 F HA 0.202 4.741 4.527 0.020 0.000 0.359 302 F C -0.350 175.403 175.800 -0.077 0.000 1.147 302 F CA 1.056 59.005 58.000 -0.085 0.000 1.341 302 F CB 0.708 39.666 39.000 -0.070 0.000 1.104 302 F HN 0.773 nan 8.300 nan 0.000 0.603 303 D N 7.005 126.719 120.400 -1.143 0.000 2.419 303 D HA 0.279 4.931 4.640 0.019 0.000 0.219 303 D C -2.871 172.892 176.300 -0.896 0.000 1.349 303 D CA -1.364 52.185 54.000 -0.753 0.000 0.964 303 D CB 1.425 41.999 40.800 -0.377 0.000 1.463 303 D HN 0.142 nan 8.370 nan 0.000 0.573 309 K N -1.634 118.551 120.400 -0.358 0.000 3.339 309 K HA -0.138 4.193 4.320 0.019 0.000 0.299 309 K C -0.227 176.091 176.600 -0.470 0.000 1.270 309 K CA 1.120 57.137 56.287 -0.450 0.000 0.875 309 K CB -2.884 29.425 32.500 -0.320 0.000 1.298 309 K HN 1.541 nan 8.250 nan 0.000 0.485 310 V N 0.184 119.872 119.914 -0.376 0.000 2.808 310 V HA 0.761 4.893 4.120 0.019 0.000 0.308 310 V C -0.048 175.832 176.094 -0.357 0.000 1.099 310 V CA -0.219 61.884 62.300 -0.329 0.000 0.920 310 V CB 2.423 34.082 31.823 -0.274 0.000 1.014 310 V HN 0.499 nan 8.190 nan 0.000 0.425 311 S N 3.132 118.635 115.700 -0.330 0.000 2.599 311 S HA 0.857 5.338 4.470 0.019 0.000 0.294 311 S C -0.952 173.463 174.600 -0.308 0.000 1.094 311 S CA -0.715 57.299 58.200 -0.309 0.000 0.931 311 S CB 1.779 64.892 63.200 -0.145 0.000 1.093 311 S HN 0.312 nan 8.310 nan 0.000 0.488 312 F N 0.415 120.377 119.950 0.019 0.000 2.371 312 F HA 0.609 5.149 4.527 0.022 0.000 0.329 312 F C 0.058 175.893 175.800 0.060 0.000 1.107 312 F CA -0.791 57.246 58.000 0.061 0.000 1.137 312 F CB 1.297 40.348 39.000 0.084 0.000 1.214 312 F HN 0.309 nan 8.300 nan 0.000 0.536 313 V N 1.837 121.920 119.914 0.281 0.000 2.444 313 V HA 0.167 4.298 4.120 0.019 0.000 0.294 313 V C -0.093 176.102 176.094 0.168 0.000 1.022 313 V CA -1.099 61.306 62.300 0.174 0.000 0.850 313 V CB 1.392 33.285 31.823 0.117 0.000 0.992 313 V HN 0.665 nan 8.190 nan 0.000 0.426 314 E N 4.290 124.573 120.200 0.137 0.000 2.465 314 E HA 0.155 4.516 4.350 0.019 0.000 0.260 314 E C -0.243 176.412 176.600 0.092 0.000 0.980 314 E CA 0.235 56.703 56.400 0.113 0.000 0.927 314 E CB 0.833 30.589 29.700 0.094 0.000 0.934 314 E HN 0.485 nan 8.360 nan 0.000 0.459 315 R N 1.911 122.462 120.500 0.085 0.000 2.873 315 R HA 0.082 4.433 4.340 0.019 0.000 0.264 315 R C 1.144 177.484 176.300 0.067 0.000 1.026 315 R CA -0.709 55.432 56.100 0.069 0.000 1.002 315 R CB 0.940 31.277 30.300 0.062 0.000 1.174 315 R HN 0.641 nan 8.270 nan 0.000 0.488 316 D N 1.487 121.922 120.400 0.059 0.000 2.240 316 D HA -0.202 4.449 4.640 0.019 0.000 0.204 316 D C 0.263 176.605 176.300 0.069 0.000 1.018 316 D CA 0.845 54.880 54.000 0.059 0.000 0.887 316 D CB -0.300 40.531 40.800 0.052 0.000 1.087 316 D HN 0.100 nan 8.370 nan 0.000 0.464 317 L N 0.173 121.438 121.223 0.070 0.000 3.322 317 L HA -0.162 4.190 4.340 0.019 0.000 0.483 317 L C -2.099 174.832 176.870 0.102 0.000 1.004 317 L CA -0.071 54.820 54.840 0.084 0.000 0.930 317 L CB -1.642 40.469 42.059 0.086 0.000 0.216 317 L HN 0.328 nan 8.230 nan 0.000 0.827 318 P HA 0.164 nan 4.420 nan 0.000 0.266 318 P C -0.590 176.818 177.300 0.180 0.000 1.195 318 P CA 0.083 63.272 63.100 0.147 0.000 0.768 318 P CB 0.594 32.392 31.700 0.163 0.000 0.838 319 K N 0.352 120.860 120.400 0.178 0.000 2.395 319 K HA 0.485 4.816 4.320 0.019 0.000 0.247 319 K C 0.520 177.198 176.600 0.131 0.000 0.973 319 K CA -0.701 55.681 56.287 0.159 0.000 0.828 319 K CB 1.607 34.175 32.500 0.112 0.000 1.272 319 K HN 0.448 nan 8.250 nan 0.000 0.439 320 T N -1.946 112.597 114.554 -0.019 0.000 2.814 320 T HA 0.299 4.661 4.350 0.019 0.000 0.284 320 T C 1.267 175.769 174.700 -0.330 0.000 0.998 320 T CA -0.163 61.694 62.100 -0.405 0.000 0.935 320 T CB 1.077 69.534 68.868 -0.685 0.000 1.167 320 T HN 0.537 nan 8.240 nan 0.000 0.545 321 A N 0.205 122.742 122.820 -0.472 0.000 2.125 321 A HA 0.020 4.351 4.320 0.019 0.000 0.219 321 A C 2.249 179.613 177.584 -0.367 0.000 1.156 321 A CA 1.001 52.847 52.037 -0.319 0.000 0.671 321 A CB -0.912 17.906 19.000 -0.303 0.000 0.794 321 A HN 0.751 nan 8.150 nan 0.000 0.459 322 M N -1.695 117.551 119.600 -0.590 0.000 2.492 322 M HA 0.083 4.574 4.480 0.019 0.000 0.262 322 M C 1.582 177.615 176.300 -0.445 0.000 1.090 322 M CA 1.055 55.898 55.300 -0.761 0.000 1.110 322 M CB -1.163 30.336 32.600 -1.834 0.000 1.407 322 M HN 0.825 nan 8.290 nan 0.000 0.470 323 G N -0.569 108.092 108.800 -0.231 0.000 2.132 323 G HA2 -0.181 3.790 3.960 0.019 0.000 0.234 323 G HA3 -0.181 3.790 3.960 0.019 0.000 0.234 323 G C -0.659 174.360 174.900 0.198 0.000 0.989 323 G CA -0.389 44.713 45.100 0.004 0.000 0.676 323 G HN 0.369 nan 8.290 nan 0.000 0.522 324 W N 1.727 123.016 121.300 -0.018 0.000 2.338 324 W HA 0.594 5.272 4.660 0.030 0.000 0.307 324 W C 0.619 177.141 176.519 0.004 0.000 1.167 324 W CA -1.681 55.657 57.345 -0.012 0.000 1.208 324 W CB 0.273 29.734 29.460 0.001 0.000 1.228 324 W HN 0.225 nan 8.180 nan 0.000 0.499 325 E N 2.712 123.012 120.200 0.166 0.000 2.417 325 E HA 0.051 4.412 4.350 0.019 0.000 0.261 325 E C 0.028 176.735 176.600 0.179 0.000 1.000 325 E CA 0.113 56.586 56.400 0.122 0.000 0.919 325 E CB 0.714 30.433 29.700 0.032 0.000 0.955 325 E HN 0.230 nan 8.360 nan 0.000 0.455 326 I N 4.161 124.880 120.570 0.247 0.000 2.347 326 I HA 0.046 4.228 4.170 0.019 0.000 0.294 326 I C -0.488 175.771 176.117 0.236 0.000 1.090 326 I CA -0.237 61.266 61.300 0.338 0.000 1.314 326 I CB 0.324 38.565 38.000 0.401 0.000 1.423 326 I HN 0.201 nan 8.210 nan 0.000 0.503 327 V N 8.891 128.968 119.914 0.272 0.000 2.380 327 V HA 0.183 4.314 4.120 0.019 0.000 0.268 327 V C -1.760 174.475 176.094 0.235 0.000 1.008 327 V CA -0.954 61.488 62.300 0.236 0.000 0.823 327 V CB 1.180 33.166 31.823 0.271 0.000 1.053 327 V HN 0.535 nan 8.190 nan 0.000 0.446 328 P HA -0.133 nan 4.420 nan 0.000 0.217 328 P C 1.575 178.768 177.300 -0.177 0.000 1.151 328 P CA 0.902 63.717 63.100 -0.475 0.000 0.828 328 P CB 0.278 31.627 31.700 -0.585 0.000 0.788 329 E N 0.154 120.320 120.200 -0.056 0.000 2.401 329 E HA -0.111 4.250 4.350 0.019 0.000 0.199 329 E C 1.957 178.472 176.600 -0.142 0.000 1.023 329 E CA 1.486 57.867 56.400 -0.032 0.000 0.859 329 E CB -1.496 28.213 29.700 0.015 0.000 0.780 329 E HN 0.219 nan 8.360 nan 0.000 0.523 330 G N 1.905 110.595 108.800 -0.184 0.000 2.422 330 G HA2 -0.214 3.757 3.960 0.019 0.000 0.218 330 G HA3 -0.214 3.757 3.960 0.019 0.000 0.218 330 G C 1.624 176.094 174.900 -0.717 0.000 1.146 330 G CA 0.701 45.513 45.100 -0.480 0.000 0.769 330 G HN 0.330 nan 8.290 nan 0.000 0.547 331 I N -0.773 119.367 120.570 -0.716 0.000 2.315 331 I HA -0.113 4.068 4.170 0.019 0.000 0.248 331 I C 2.423 178.479 176.117 -0.102 0.000 1.117 331 I CA 1.119 62.147 61.300 -0.453 0.000 1.404 331 I CB -0.047 37.968 38.000 0.025 0.000 1.071 331 I HN 0.353 nan 8.210 nan 0.000 0.419 332 Y N 0.171 120.392 120.300 -0.132 0.000 2.145 332 Y HA -0.346 4.214 4.550 0.018 0.000 0.286 332 Y C 2.276 178.122 175.900 -0.089 0.000 1.145 332 Y CA 2.090 60.145 58.100 -0.076 0.000 1.148 332 Y CB -0.767 37.660 38.460 -0.055 0.000 0.981 332 Y HN 0.350 nan 8.280 nan 0.000 0.507 333 W N 0.647 121.738 121.300 -0.349 0.000 2.335 333 W HA -0.273 4.398 4.660 0.018 0.000 0.311 333 W C 2.138 178.472 176.519 -0.308 0.000 1.213 333 W CA 2.319 59.404 57.345 -0.434 0.000 1.274 333 W CB -0.559 28.496 29.460 -0.675 0.000 1.148 333 W HN 0.237 nan 8.180 nan 0.000 0.498 334 I N 0.271 120.830 120.570 -0.019 0.000 2.439 334 I HA -0.211 3.970 4.170 0.019 0.000 0.251 334 I C 2.240 178.284 176.117 -0.122 0.000 1.139 334 I CA 1.514 62.837 61.300 0.039 0.000 1.438 334 I CB -0.543 37.637 38.000 0.301 0.000 1.085 334 I HN 0.010 nan 8.210 nan 0.000 0.427 335 L N -0.146 120.971 121.223 -0.176 0.000 2.056 335 L HA -0.176 4.176 4.340 0.019 0.000 0.207 335 L C 2.486 179.176 176.870 -0.300 0.000 1.078 335 L CA 1.026 55.759 54.840 -0.179 0.000 0.749 335 L CB -0.672 41.320 42.059 -0.112 0.000 0.901 335 L HN 0.072 nan 8.230 nan 0.000 0.433 336 K N 0.175 120.283 120.400 -0.486 0.000 2.025 336 K HA -0.179 4.152 4.320 0.019 0.000 0.207 336 K C 2.110 178.436 176.600 -0.457 0.000 1.049 336 K CA 1.176 57.153 56.287 -0.517 0.000 0.933 336 K CB -0.216 31.843 32.500 -0.734 0.000 0.714 336 K HN 0.029 nan 8.250 nan 0.000 0.438 337 K N 1.211 121.253 120.400 -0.597 0.000 2.057 337 K HA -0.082 4.249 4.320 0.019 0.000 0.207 337 K C 1.987 178.458 176.600 -0.214 0.000 1.049 337 K CA 0.827 56.795 56.287 -0.532 0.000 0.931 337 K CB -0.519 31.392 32.500 -0.982 0.000 0.714 337 K HN -0.058 nan 8.250 nan 0.000 0.440 338 V N 0.467 120.238 119.914 -0.239 0.000 2.427 338 V HA -0.246 3.886 4.120 0.019 0.000 0.248 338 V C 2.236 178.192 176.094 -0.231 0.000 1.051 338 V CA 2.286 64.358 62.300 -0.380 0.000 1.048 338 V CB -0.208 31.234 31.823 -0.635 0.000 0.666 338 V HN 0.411 nan 8.190 nan 0.000 0.456 339 K N -0.187 120.083 120.400 -0.217 0.000 2.025 339 K HA -0.199 4.132 4.320 0.019 0.000 0.207 339 K C 2.216 178.702 176.600 -0.189 0.000 1.049 339 K CA 2.006 58.184 56.287 -0.181 0.000 0.933 339 K CB -0.633 31.765 32.500 -0.169 0.000 0.714 339 K HN 0.837 nan 8.250 nan 0.000 0.438 340 E N -0.036 120.039 120.200 -0.209 0.000 2.118 340 E HA -0.251 4.110 4.350 0.019 0.000 0.195 340 E C 1.926 178.391 176.600 -0.225 0.000 0.992 340 E CA 1.978 58.260 56.400 -0.197 0.000 0.804 340 E CB -0.090 29.486 29.700 -0.206 0.000 0.741 340 E HN 0.709 nan 8.360 nan 0.000 0.458 341 E N -1.551 118.483 120.200 -0.277 0.000 2.140 341 E HA -0.066 4.296 4.350 0.019 0.000 0.191 341 E C 0.875 176.997 176.600 -0.796 0.000 0.973 341 E CA 0.762 56.847 56.400 -0.525 0.000 0.829 341 E CB 0.281 29.667 29.700 -0.524 0.000 0.781 341 E HN 0.364 nan 8.360 nan 0.000 0.466 342 Y N -0.992 119.192 120.300 -0.193 0.000 2.540 342 Y HA 0.211 4.772 4.550 0.019 0.000 0.257 342 Y C 0.103 175.694 175.900 -0.515 0.000 1.090 342 Y CA -0.575 57.279 58.100 -0.409 0.000 1.242 342 Y CB 0.395 38.570 38.460 -0.475 0.000 1.325 342 Y HN -0.125 nan 8.280 nan 0.000 0.544 343 N N 1.608 120.178 118.700 -0.216 0.000 2.686 343 N HA -0.135 4.616 4.740 0.019 0.000 0.261 343 N C -2.853 172.560 175.510 -0.162 0.000 1.001 343 N CA 0.145 53.092 53.050 -0.171 0.000 0.764 343 N CB -0.277 38.129 38.487 -0.135 0.000 0.898 343 N HN 0.156 nan 8.380 nan 0.000 0.544 344 P HA 0.117 nan 4.420 nan 0.000 0.272 344 P C -1.753 175.582 177.300 0.057 0.000 1.223 344 P CA -1.040 62.072 63.100 0.019 0.000 0.784 344 P CB 0.560 32.332 31.700 0.120 0.000 0.923 345 P HA -0.052 nan 4.420 nan 0.000 0.217 345 P C 0.049 177.403 177.300 0.089 0.000 1.151 345 P CA 1.482 64.639 63.100 0.095 0.000 0.828 345 P CB 0.556 32.332 31.700 0.126 0.000 0.788 346 E N -0.902 119.385 120.200 0.145 0.000 2.317 346 E HA 0.508 4.869 4.350 0.019 0.000 0.270 346 E C -1.178 175.509 176.600 0.146 0.000 0.885 346 E CA -0.991 55.469 56.400 0.100 0.000 0.760 346 E CB 3.032 32.817 29.700 0.141 0.000 1.227 346 E HN -0.279 nan 8.360 nan 0.000 0.434 347 V N 2.085 122.001 119.914 0.003 0.000 2.769 347 V HA 0.458 4.590 4.120 0.019 0.000 0.312 347 V C -1.346 174.686 176.094 -0.105 0.000 1.061 347 V CA -0.817 61.530 62.300 0.078 0.000 0.931 347 V CB 1.267 33.120 31.823 0.051 0.000 1.010 347 V HN 0.581 nan 8.190 nan 0.000 0.433 348 Y N 2.387 122.788 120.300 0.168 0.000 2.462 348 Y HA 0.547 5.108 4.550 0.019 0.000 0.346 348 Y C 0.060 176.063 175.900 0.172 0.000 0.976 348 Y CA -1.057 57.117 58.100 0.124 0.000 1.044 348 Y CB 1.814 40.317 38.460 0.072 0.000 1.230 348 Y HN 0.344 nan 8.280 nan 0.000 0.455 349 I N 3.363 124.143 120.570 0.350 0.000 2.406 349 I HA 0.019 4.200 4.170 0.019 0.000 0.293 349 I C 1.101 177.382 176.117 0.274 0.000 1.101 349 I CA 0.256 61.740 61.300 0.307 0.000 1.334 349 I CB 0.272 38.499 38.000 0.377 0.000 1.421 349 I HN 0.810 nan 8.210 nan 0.000 0.513 350 T N 2.278 116.940 114.554 0.181 0.000 3.081 350 T HA 0.224 4.585 4.350 0.019 0.000 0.255 350 T C 0.535 175.264 174.700 0.048 0.000 1.113 350 T CA 0.118 62.228 62.100 0.017 0.000 1.082 350 T CB 0.314 69.128 68.868 -0.091 0.000 0.939 350 T HN 0.581 nan 8.240 nan 0.000 0.506 351 E N 0.815 121.062 120.200 0.078 0.000 2.347 351 E HA 0.397 4.758 4.350 0.019 0.000 0.285 351 E C -1.547 174.976 176.600 -0.128 0.000 0.925 351 E CA -0.687 55.766 56.400 0.088 0.000 0.779 351 E CB 1.796 31.587 29.700 0.152 0.000 1.233 351 E HN 0.240 nan 8.360 nan 0.000 0.414 352 N N 1.900 120.508 118.700 -0.154 0.000 2.452 352 N HA 0.569 5.320 4.740 0.019 0.000 0.277 352 N C -1.234 174.308 175.510 0.053 0.000 1.078 352 N CA -0.208 52.716 53.050 -0.210 0.000 0.947 352 N CB 2.094 40.629 38.487 0.080 0.000 1.655 352 N HN 0.651 nan 8.380 nan 0.000 0.490 353 G N 0.906 109.769 108.800 0.104 0.000 2.340 353 G HA2 0.717 4.688 3.960 0.019 0.000 0.299 353 G HA3 0.717 4.688 3.960 0.019 0.000 0.299 353 G C -2.134 172.820 174.900 0.090 0.000 1.291 353 G CA -0.055 45.219 45.100 0.292 0.000 0.841 353 G HN 0.731 nan 8.290 nan 0.000 0.500 354 A N -1.391 121.405 122.820 -0.040 0.000 2.547 354 A HA 0.959 5.290 4.320 0.019 0.000 0.297 354 A C -0.325 176.720 177.584 -0.898 0.000 1.056 354 A CA 0.278 51.960 52.037 -0.592 0.000 0.688 354 A CB 1.372 19.753 19.000 -1.032 0.000 1.282 354 A HN 2.417 nan 8.150 nan 0.000 0.400 355 A N 1.384 123.313 122.820 -1.484 0.000 2.260 355 A HA 0.804 5.135 4.320 0.019 0.000 0.308 355 A C -0.965 175.973 177.584 -1.077 0.000 1.254 355 A CA -0.075 51.146 52.037 -1.360 0.000 0.874 355 A CB -0.260 17.835 19.000 -1.510 0.000 1.153 355 A HN 0.756 nan 8.150 nan 0.000 0.527 356 F N 0.120 119.877 119.950 -0.323 0.000 2.611 356 F HA 0.328 4.871 4.527 0.026 0.000 0.324 356 F C 0.057 175.788 175.800 -0.115 0.000 1.061 356 F CA -0.864 57.029 58.000 -0.179 0.000 0.954 356 F CB 1.776 40.707 39.000 -0.116 0.000 1.301 356 F HN 0.508 nan 8.300 nan 0.000 0.482 357 D N 1.965 122.453 120.400 0.147 0.000 2.551 357 D HA 0.051 4.702 4.640 0.019 0.000 0.223 357 D C -0.697 175.666 176.300 0.105 0.000 1.144 357 D CA 0.176 54.228 54.000 0.087 0.000 1.025 357 D CB -0.159 40.680 40.800 0.066 0.000 1.085 357 D HN 0.356 nan 8.370 nan 0.000 0.506 358 D N 1.071 121.550 120.400 0.131 0.000 2.424 358 D HA 0.113 4.765 4.640 0.019 0.000 0.244 358 D C 0.734 177.109 176.300 0.125 0.000 1.134 358 D CA 0.036 54.119 54.000 0.137 0.000 0.881 358 D CB 1.971 42.906 40.800 0.225 0.000 1.191 358 D HN 0.081 nan 8.370 nan 0.000 0.445 359 V N -1.148 118.765 119.914 -0.002 0.000 2.876 359 V HA 0.478 4.609 4.120 0.019 0.000 0.312 359 V C -0.124 175.820 176.094 -0.248 0.000 1.085 359 V CA -1.099 61.151 62.300 -0.083 0.000 0.945 359 V CB 1.800 33.606 31.823 -0.027 0.000 1.017 359 V HN 0.197 nan 8.190 nan 0.000 0.428 360 V N 3.131 122.832 119.914 -0.354 0.000 2.427 360 V HA 0.318 4.449 4.120 0.019 0.000 0.268 360 V C 0.909 176.903 176.094 -0.167 0.000 1.046 360 V CA 0.290 62.385 62.300 -0.342 0.000 0.970 360 V CB 0.545 32.139 31.823 -0.381 0.000 1.001 360 V HN 1.052 nan 8.190 nan 0.000 0.476 361 S N 3.507 119.131 115.700 -0.127 0.000 2.608 361 S HA 0.095 4.577 4.470 0.019 0.000 0.261 361 S C 1.303 175.883 174.600 -0.033 0.000 1.314 361 S CA -0.550 57.632 58.200 -0.030 0.000 0.992 361 S CB 0.693 63.943 63.200 0.083 0.000 0.935 361 S HN 0.853 nan 8.310 nan 0.000 0.564 362 E N 0.937 121.135 120.200 -0.003 0.000 2.209 362 E HA -0.194 4.168 4.350 0.019 0.000 0.196 362 E C 1.129 177.727 176.600 -0.004 0.000 0.993 362 E CA 1.243 57.639 56.400 -0.007 0.000 0.819 362 E CB -0.127 29.573 29.700 0.000 0.000 0.745 362 E HN 0.675 nan 8.360 nan 0.000 0.477 363 D N -0.747 119.664 120.400 0.018 0.000 2.378 363 D HA -0.031 4.621 4.640 0.019 0.000 0.227 363 D C 1.279 177.574 176.300 -0.009 0.000 1.012 363 D CA 0.849 54.864 54.000 0.025 0.000 0.905 363 D CB -0.058 40.794 40.800 0.086 0.000 0.895 363 D HN 0.218 nan 8.370 nan 0.000 0.532 364 G N -0.142 108.631 108.800 -0.045 0.000 2.179 364 G HA2 -0.321 3.650 3.960 0.019 0.000 0.260 364 G HA3 -0.321 3.650 3.960 0.019 0.000 0.260 364 G C 0.303 175.130 174.900 -0.121 0.000 0.977 364 G CA 0.098 45.153 45.100 -0.074 0.000 0.641 364 G HN 0.512 nan 8.290 nan 0.000 0.533 365 R N -0.887 119.504 120.500 -0.181 0.000 2.758 365 R HA 0.658 5.009 4.340 0.019 0.000 0.265 365 R C -0.472 175.539 176.300 -0.480 0.000 1.016 365 R CA -0.752 55.153 56.100 -0.325 0.000 1.040 365 R CB 2.078 32.128 30.300 -0.416 0.000 1.152 365 R HN 0.078 nan 8.270 nan 0.000 0.503 366 V N 2.970 122.629 119.914 -0.424 0.000 2.293 366 V HA 0.161 4.292 4.120 0.019 0.000 0.275 366 V C -0.317 175.622 176.094 -0.258 0.000 1.021 366 V CA -0.666 61.441 62.300 -0.322 0.000 0.815 366 V CB 0.877 32.571 31.823 -0.216 0.000 1.025 366 V HN 0.669 nan 8.190 nan 0.000 0.448 367 H N 4.214 123.262 119.070 -0.038 0.000 2.680 367 H HA 0.170 4.738 4.556 0.019 0.000 0.224 367 H C 0.134 175.429 175.328 -0.055 0.000 1.866 367 H CA -0.472 55.559 56.048 -0.029 0.000 1.302 367 H CB 0.135 29.877 29.762 -0.034 0.000 1.709 367 H HN 0.750 nan 8.280 nan 0.000 0.537 368 D N 0.850 121.264 120.400 0.024 0.000 2.845 368 D HA -0.050 4.601 4.640 0.019 0.000 0.235 368 D C 1.272 177.505 176.300 -0.111 0.000 1.158 368 D CA -0.398 53.573 54.000 -0.049 0.000 0.990 368 D CB 0.646 41.437 40.800 -0.014 0.000 1.094 368 D HN 0.180 nan 8.370 nan 0.000 0.486 369 Q N 2.011 121.742 119.800 -0.116 0.000 2.181 369 Q HA -0.243 4.108 4.340 0.019 0.000 0.205 369 Q C 1.332 177.185 176.000 -0.246 0.000 0.980 369 Q CA 1.897 57.608 55.803 -0.153 0.000 0.862 369 Q CB -0.228 28.440 28.738 -0.117 0.000 0.905 369 Q HN 0.494 nan 8.270 nan 0.000 0.429 370 N N -0.110 118.356 118.700 -0.390 0.000 2.149 370 N HA -0.234 4.517 4.740 0.019 0.000 0.188 370 N C 1.620 176.802 175.510 -0.547 0.000 1.019 370 N CA 1.817 54.469 53.050 -0.664 0.000 0.857 370 N CB -0.615 37.091 38.487 -1.301 0.000 0.997 370 N HN 0.316 nan 8.380 nan 0.000 0.426 371 R N 0.306 120.585 120.500 -0.368 0.000 2.073 371 R HA 0.188 4.539 4.340 0.019 0.000 0.229 371 R C 2.167 178.464 176.300 -0.006 0.000 1.120 371 R CA 0.622 56.760 56.100 0.063 0.000 0.967 371 R CB -0.192 30.187 30.300 0.131 0.000 0.862 371 R HN 0.211 nan 8.270 nan 0.000 0.436 372 I N 1.254 121.696 120.570 -0.214 0.000 2.163 372 I HA -0.316 3.866 4.170 0.019 0.000 0.243 372 I C 1.535 177.344 176.117 -0.513 0.000 1.085 372 I CA 1.499 62.448 61.300 -0.584 0.000 1.347 372 I CB -0.339 37.266 38.000 -0.658 0.000 1.044 372 I HN 0.210 nan 8.210 nan 0.000 0.408 373 D N -0.116 120.139 120.400 -0.243 0.000 2.117 373 D HA -0.232 4.419 4.640 0.019 0.000 0.197 373 D C 1.892 178.228 176.300 0.060 0.000 0.987 373 D CA 1.316 55.252 54.000 -0.107 0.000 0.829 373 D CB -0.411 40.354 40.800 -0.059 0.000 0.961 373 D HN 0.357 nan 8.370 nan 0.000 0.460 374 Y N 1.326 121.671 120.300 0.075 0.000 2.089 374 Y HA -0.160 4.404 4.550 0.024 0.000 0.282 374 Y C 2.183 178.309 175.900 0.377 0.000 1.139 374 Y CA 1.427 59.709 58.100 0.303 0.000 1.123 374 Y CB -0.479 38.212 38.460 0.385 0.000 0.980 374 Y HN -0.095 nan 8.280 nan 0.000 0.493 375 L N 0.375 121.890 121.223 0.487 0.000 2.012 375 L HA -0.265 4.086 4.340 0.019 0.000 0.210 375 L C 2.604 179.711 176.870 0.394 0.000 1.073 375 L CA 2.099 57.224 54.840 0.474 0.000 0.748 375 L CB -0.738 41.578 42.059 0.429 0.000 0.891 375 L HN 0.173 nan 8.230 nan 0.000 0.431 376 K N 0.484 120.957 120.400 0.121 0.000 2.032 376 K HA -0.231 4.100 4.320 0.019 0.000 0.209 376 K C 2.158 178.892 176.600 0.224 0.000 1.048 376 K CA 1.586 58.042 56.287 0.282 0.000 0.927 376 K CB -0.169 32.382 32.500 0.085 0.000 0.712 376 K HN 0.270 nan 8.250 nan 0.000 0.441 377 A N 0.462 123.354 122.820 0.120 0.000 1.908 377 A HA -0.197 4.134 4.320 0.019 0.000 0.218 377 A C 1.755 179.330 177.584 -0.016 0.000 1.181 377 A CA 1.923 53.968 52.037 0.013 0.000 0.627 377 A CB -0.843 18.099 19.000 -0.096 0.000 0.818 377 A HN 0.515 nan 8.150 nan 0.000 0.445 378 H N -0.684 118.444 119.070 0.095 0.000 2.372 378 H HA 0.128 4.696 4.556 0.020 0.000 0.301 378 H C 1.926 177.384 175.328 0.218 0.000 1.065 378 H CA 1.443 57.587 56.048 0.161 0.000 1.364 378 H CB -0.174 29.713 29.762 0.208 0.000 1.406 378 H HN 0.417 nan 8.280 nan 0.000 0.521 379 I N 0.176 120.931 120.570 0.308 0.000 2.194 379 I HA -0.254 3.927 4.170 0.019 0.000 0.246 379 I C 2.638 178.988 176.117 0.388 0.000 1.093 379 I CA 1.412 62.839 61.300 0.212 0.000 1.355 379 I CB -0.518 37.588 38.000 0.176 0.000 1.046 379 I HN 0.400 nan 8.210 nan 0.000 0.413 380 G N -0.128 108.848 108.800 0.292 0.000 2.422 380 G HA2 -0.220 3.751 3.960 0.019 0.000 0.218 380 G HA3 -0.220 3.751 3.960 0.019 0.000 0.218 380 G C 1.599 176.666 174.900 0.280 0.000 1.146 380 G CA 0.381 45.630 45.100 0.248 0.000 0.769 380 G HN 0.303 nan 8.290 nan 0.000 0.547 381 Q N 0.338 120.264 119.800 0.210 0.000 2.137 381 Q HA 0.106 4.457 4.340 0.019 0.000 0.198 381 Q C 2.982 179.142 176.000 0.266 0.000 0.960 381 Q CA 1.164 57.077 55.803 0.184 0.000 0.847 381 Q CB -0.576 28.227 28.738 0.108 0.000 0.915 381 Q HN 0.440 nan 8.270 nan 0.000 0.448 382 A N 0.127 123.129 122.820 0.304 0.000 1.933 382 A HA -0.194 4.137 4.320 0.019 0.000 0.218 382 A C 1.870 179.576 177.584 0.203 0.000 1.175 382 A CA 1.318 53.538 52.037 0.306 0.000 0.628 382 A CB -1.058 18.193 19.000 0.418 0.000 0.814 382 A HN 0.534 nan 8.150 nan 0.000 0.444 383 W N 0.903 122.207 121.300 0.007 0.000 2.335 383 W HA -0.238 4.433 4.660 0.018 0.000 0.311 383 W C 2.248 178.627 176.519 -0.234 0.000 1.213 383 W CA 2.379 59.472 57.345 -0.420 0.000 1.274 383 W CB -0.107 29.132 29.460 -0.368 0.000 1.148 383 W HN 0.315 nan 8.180 nan 0.000 0.498 384 K N 0.139 120.589 120.400 0.083 0.000 2.032 384 K HA -0.230 4.101 4.320 0.019 0.000 0.209 384 K C 2.179 178.750 176.600 -0.049 0.000 1.048 384 K CA 2.037 58.302 56.287 -0.036 0.000 0.927 384 K CB -0.637 31.891 32.500 0.046 0.000 0.712 384 K HN 0.145 nan 8.250 nan 0.000 0.441 385 A N 1.243 124.132 122.820 0.115 0.000 1.908 385 A HA -0.166 4.166 4.320 0.019 0.000 0.218 385 A C 2.108 179.604 177.584 -0.147 0.000 1.181 385 A CA 1.701 53.748 52.037 0.016 0.000 0.627 385 A CB -0.626 18.371 19.000 -0.005 0.000 0.818 385 A HN 0.400 nan 8.150 nan 0.000 0.445 386 I N -0.403 120.013 120.570 -0.256 0.000 2.286 386 I HA -0.254 3.928 4.170 0.019 0.000 0.248 386 I C 2.419 178.286 176.117 -0.417 0.000 1.115 386 I CA 1.039 62.134 61.300 -0.342 0.000 1.392 386 I CB -0.245 37.469 38.000 -0.477 0.000 1.065 386 I HN 0.329 nan 8.210 nan 0.000 0.418 387 Q N 0.685 120.138 119.800 -0.577 0.000 2.230 387 Q HA -0.132 4.220 4.340 0.019 0.000 0.202 387 Q C 1.213 177.036 176.000 -0.296 0.000 0.963 387 Q CA 1.172 56.644 55.803 -0.553 0.000 0.866 387 Q CB -0.295 27.963 28.738 -0.799 0.000 0.931 387 Q HN 0.596 nan 8.270 nan 0.000 0.452 388 E N -0.545 119.531 120.200 -0.206 0.000 2.394 388 E HA 0.279 4.640 4.350 0.019 0.000 0.191 388 E C 0.372 176.899 176.600 -0.122 0.000 1.044 388 E CA 0.241 56.570 56.400 -0.118 0.000 0.939 388 E CB 0.366 30.046 29.700 -0.032 0.000 1.089 388 E HN 0.423 nan 8.360 nan 0.000 0.456 389 G N 0.676 109.388 108.800 -0.146 0.000 2.176 389 G HA2 -0.256 3.715 3.960 0.019 0.000 0.232 389 G HA3 -0.256 3.715 3.960 0.019 0.000 0.232 389 G C 0.378 175.209 174.900 -0.115 0.000 0.986 389 G CA -0.182 44.845 45.100 -0.121 0.000 0.643 389 G HN 0.184 nan 8.290 nan 0.000 0.522 390 V N 2.877 122.714 119.914 -0.127 0.000 2.521 390 V HA 0.327 4.458 4.120 0.019 0.000 0.286 390 V C -0.814 175.229 176.094 -0.085 0.000 1.034 390 V CA -0.314 61.919 62.300 -0.112 0.000 1.045 390 V CB 1.229 32.979 31.823 -0.122 0.000 0.974 390 V HN 0.240 nan 8.190 nan 0.000 0.480 391 P HA 0.096 nan 4.420 nan 0.000 0.228 391 P C -0.262 176.998 177.300 -0.066 0.000 1.748 391 P CA -0.429 62.638 63.100 -0.056 0.000 0.909 391 P CB 0.076 31.751 31.700 -0.041 0.000 1.882 392 L N 1.543 122.747 121.223 -0.032 0.000 2.562 392 L HA 0.016 4.368 4.340 0.019 0.000 0.271 392 L C 1.226 178.083 176.870 -0.023 0.000 1.167 392 L CA 0.911 55.754 54.840 0.004 0.000 0.917 392 L CB 0.224 42.382 42.059 0.165 0.000 1.187 392 L HN -0.104 nan 8.230 nan 0.000 0.482 393 K N 3.762 123.906 120.400 -0.428 0.000 2.354 393 K HA 0.449 4.780 4.320 0.019 0.000 0.194 393 K C 0.487 176.535 176.600 -0.920 0.000 1.038 393 K CA 0.547 56.486 56.287 -0.581 0.000 1.052 393 K CB 0.792 32.858 32.500 -0.723 0.000 0.861 393 K HN 0.747 nan 8.250 nan 0.000 0.535 394 G N 0.042 108.269 108.800 -0.955 0.000 2.576 394 G HA2 0.415 4.386 3.960 0.019 0.000 0.290 394 G HA3 0.415 4.386 3.960 0.019 0.000 0.290 394 G C -2.283 172.407 174.900 -0.351 0.000 1.442 394 G CA -0.612 43.889 45.100 -0.998 0.000 0.792 394 G HN 0.008 nan 8.290 nan 0.000 0.491 395 Y N 0.086 120.084 120.300 -0.503 0.000 2.401 395 Y HA 0.719 5.281 4.550 0.020 0.000 0.330 395 Y C -1.990 173.899 175.900 -0.017 0.000 1.071 395 Y CA -1.393 56.719 58.100 0.020 0.000 1.049 395 Y CB 1.612 40.210 38.460 0.230 0.000 1.239 395 Y HN 0.438 nan 8.280 nan 0.000 0.437 396 F N 5.693 125.430 119.950 -0.355 0.000 2.449 396 F HA 0.541 5.079 4.527 0.018 0.000 0.342 396 F C -0.464 175.138 175.800 -0.330 0.000 1.127 396 F CA -1.132 56.749 58.000 -0.199 0.000 0.975 396 F CB 1.666 40.592 39.000 -0.123 0.000 1.146 396 F HN 0.213 nan 8.300 nan 0.000 0.444 397 V N 3.784 123.662 119.914 -0.059 0.000 2.555 397 V HA -0.037 4.094 4.120 0.019 0.000 0.286 397 V C -0.298 175.857 176.094 0.101 0.000 1.044 397 V CA -0.597 61.655 62.300 -0.079 0.000 1.026 397 V CB 0.833 32.505 31.823 -0.252 0.000 0.981 397 V HN 0.737 nan 8.190 nan 0.000 0.480 398 W N 5.845 127.164 121.300 0.032 0.000 2.342 398 W HA 0.541 5.206 4.660 0.008 0.000 0.310 398 W C -0.059 176.568 176.519 0.181 0.000 1.128 398 W CA -0.036 57.372 57.345 0.105 0.000 1.322 398 W CB 1.493 31.047 29.460 0.156 0.000 1.251 398 W HN 0.612 nan 8.180 nan 0.000 0.439 399 S N 4.293 119.795 115.700 -0.330 0.000 2.632 399 S HA 0.279 4.761 4.470 0.019 0.000 0.289 399 S C 0.476 174.886 174.600 -0.316 0.000 1.115 399 S CA -0.732 57.018 58.200 -0.751 0.000 0.889 399 S CB 1.491 63.860 63.200 -1.385 0.000 1.116 399 S HN 0.526 nan 8.310 nan 0.000 0.486 400 L N 2.821 123.895 121.223 -0.248 0.000 2.021 400 L HA 0.203 4.554 4.340 0.019 0.000 0.215 400 L C -0.070 176.717 176.870 -0.138 0.000 1.074 400 L CA 2.080 56.846 54.840 -0.124 0.000 0.760 400 L CB -0.532 41.479 42.059 -0.080 0.000 0.889 400 L HN 0.648 nan 8.230 nan 0.000 0.433 401 L N -0.414 120.696 121.223 -0.188 0.000 2.354 401 L HA 0.376 4.728 4.340 0.019 0.000 0.269 401 L C -0.495 176.301 176.870 -0.123 0.000 1.005 401 L CA -1.240 53.518 54.840 -0.137 0.000 0.819 401 L CB 1.350 43.345 42.059 -0.107 0.000 1.311 401 L HN -0.136 nan 8.230 nan 0.000 0.423 402 D N 1.962 122.306 120.400 -0.094 0.000 2.449 402 D HA 0.196 4.847 4.640 0.019 0.000 0.236 402 D C -0.475 175.888 176.300 0.105 0.000 1.149 402 D CA 0.634 54.624 54.000 -0.016 0.000 0.878 402 D CB 0.598 41.309 40.800 -0.148 0.000 1.198 402 D HN 0.662 nan 8.370 nan 0.000 0.446 403 N N -0.671 118.161 118.700 0.220 0.000 3.277 403 N HA 0.213 4.964 4.740 0.019 0.000 0.278 403 N C -1.434 174.177 175.510 0.169 0.000 1.544 403 N CA -0.905 52.293 53.050 0.247 0.000 0.869 403 N CB 0.129 38.643 38.487 0.045 0.000 1.584 403 N HN 0.210 nan 8.380 nan 0.000 0.564 404 F N 0.880 120.711 119.950 -0.198 0.000 2.487 404 F HA 0.278 4.847 4.527 0.070 0.000 0.364 404 F C 0.696 176.097 175.800 -0.665 0.000 1.126 404 F CA -0.226 57.340 58.000 -0.723 0.000 1.135 404 F CB 0.500 39.059 39.000 -0.736 0.000 1.127 404 F HN 0.624 nan 8.300 nan 0.000 0.559 405 E N 7.547 127.212 120.200 -0.891 0.000 2.325 405 E HA 0.170 4.531 4.350 0.019 0.000 0.295 405 E C -0.243 175.923 176.600 -0.723 0.000 1.461 405 E CA -0.142 55.871 56.400 -0.644 0.000 1.698 405 E CB -0.564 29.031 29.700 -0.173 0.000 1.496 405 E HN 0.729 nan 8.360 nan 0.000 0.474 406 W N 0.819 121.528 121.300 -0.984 0.000 2.047 406 W HA -0.466 4.190 4.660 -0.007 0.000 0.283 406 W C 1.722 177.975 176.519 -0.445 0.000 1.201 406 W CA 0.874 57.752 57.345 -0.778 0.000 1.140 406 W CB -1.598 27.596 29.460 -0.443 0.000 0.885 406 W HN 0.326 nan 8.180 nan 0.000 0.538 407 A N 0.082 123.136 122.820 0.390 0.000 2.209 407 A HA -0.068 4.263 4.320 0.019 0.000 0.212 407 A C 1.547 179.215 177.584 0.141 0.000 1.158 407 A CA 1.708 53.990 52.037 0.407 0.000 0.742 407 A CB -0.502 18.841 19.000 0.572 0.000 0.790 407 A HN 0.447 nan 8.150 nan 0.000 0.472 408 E N -0.495 119.708 120.200 0.005 0.000 2.478 408 E HA 0.215 4.576 4.350 0.019 0.000 0.194 408 E C 1.461 177.941 176.600 -0.201 0.000 1.045 408 E CA 0.594 56.957 56.400 -0.062 0.000 0.868 408 E CB -0.394 29.278 29.700 -0.048 0.000 0.885 408 E HN 0.621 nan 8.360 nan 0.000 0.505 409 G N 1.331 109.848 108.800 -0.472 0.000 2.564 409 G HA2 -0.355 3.617 3.960 0.019 0.000 0.273 409 G HA3 -0.355 3.617 3.960 0.019 0.000 0.273 409 G C 0.345 174.863 174.900 -0.637 0.000 1.242 409 G CA 0.384 45.095 45.100 -0.648 0.000 0.951 409 G HN 0.306 nan 8.290 nan 0.000 0.564 410 Y N 1.680 121.897 120.300 -0.139 0.000 2.578 410 Y HA 0.230 4.807 4.550 0.045 0.000 0.297 410 Y C 2.906 178.773 175.900 -0.056 0.000 1.176 410 Y CA 1.245 59.255 58.100 -0.150 0.000 1.315 410 Y CB -0.053 38.187 38.460 -0.366 0.000 1.031 410 Y HN 0.606 nan 8.280 nan 0.000 0.524 411 S N -1.193 114.512 115.700 0.009 0.000 2.561 411 S HA 0.036 4.517 4.470 0.019 0.000 0.225 411 S C 0.459 175.053 174.600 -0.010 0.000 0.977 411 S CA 0.088 58.300 58.200 0.020 0.000 0.926 411 S CB -0.008 63.189 63.200 -0.004 0.000 0.769 411 S HN -0.039 nan 8.310 nan 0.000 0.533 412 K N 2.010 122.395 120.400 -0.024 0.000 2.323 412 K HA 0.440 4.771 4.320 0.019 0.000 0.259 412 K C -0.917 175.688 176.600 0.009 0.000 0.947 412 K CA -0.212 56.037 56.287 -0.062 0.000 0.819 412 K CB 1.740 34.194 32.500 -0.076 0.000 1.109 412 K HN 0.283 nan 8.250 nan 0.000 0.429 413 R N 2.503 122.959 120.500 -0.074 0.000 2.310 413 R HA 0.370 4.721 4.340 0.019 0.000 0.324 413 R C 0.118 176.349 176.300 -0.113 0.000 0.955 413 R CA -0.311 55.780 56.100 -0.015 0.000 0.830 413 R CB 0.576 30.867 30.300 -0.015 0.000 1.154 413 R HN 0.488 nan 8.270 nan 0.000 0.458 414 F N 0.358 120.313 119.950 0.007 0.000 2.678 414 F HA 0.244 4.771 4.527 -0.000 0.000 0.305 414 F C 1.564 177.351 175.800 -0.023 0.000 1.090 414 F CA -0.292 57.734 58.000 0.044 0.000 1.272 414 F CB 0.945 40.089 39.000 0.241 0.000 1.060 414 F HN 0.629 nan 8.300 nan 0.000 0.576 415 G N 0.802 109.647 108.800 0.076 0.000 2.572 415 G HA2 0.332 4.303 3.960 0.019 0.000 0.261 415 G HA3 0.332 4.303 3.960 0.019 0.000 0.261 415 G C 0.911 175.819 174.900 0.014 0.000 1.197 415 G CA -0.380 44.713 45.100 -0.012 0.000 0.870 415 G HN 0.380 nan 8.290 nan 0.000 0.548 416 I N -1.913 118.650 120.570 -0.012 0.000 3.883 416 I HA 0.338 4.519 4.170 0.019 0.000 0.326 416 I C -0.406 175.690 176.117 -0.035 0.000 1.283 416 I CA -0.149 61.154 61.300 0.005 0.000 1.161 416 I CB 0.294 38.307 38.000 0.022 0.000 1.012 416 I HN 0.002 nan 8.210 nan 0.000 0.421 417 V N 1.332 121.220 119.914 -0.044 0.000 2.487 417 V HA 0.298 4.429 4.120 0.019 0.000 0.298 417 V C -0.846 175.236 176.094 -0.020 0.000 1.028 417 V CA -0.712 61.557 62.300 -0.052 0.000 0.860 417 V CB 1.470 33.246 31.823 -0.077 0.000 0.991 417 V HN 0.202 nan 8.190 nan 0.000 0.427 418 Y N 4.754 124.982 120.300 -0.121 0.000 2.359 418 Y HA 0.500 5.064 4.550 0.024 0.000 0.330 418 Y C -0.102 175.687 175.900 -0.186 0.000 1.143 418 Y CA 0.076 58.096 58.100 -0.133 0.000 1.318 418 Y CB 1.251 39.641 38.460 -0.117 0.000 1.234 418 Y HN 0.409 nan 8.280 nan 0.000 0.522 419 V N 6.556 126.061 119.914 -0.681 0.000 2.378 419 V HA 0.138 4.269 4.120 0.019 0.000 0.288 419 V C -0.616 174.900 176.094 -0.964 0.000 1.016 419 V CA -1.026 60.860 62.300 -0.689 0.000 0.840 419 V CB 1.376 32.755 31.823 -0.740 0.000 0.994 419 V HN 0.713 nan 8.190 nan 0.000 0.431 420 D N 3.606 123.774 120.400 -0.387 0.000 2.365 420 D HA 0.158 4.809 4.640 0.019 0.000 0.237 420 D C 0.394 176.548 176.300 -0.244 0.000 1.190 420 D CA -0.043 53.846 54.000 -0.184 0.000 0.867 420 D CB 0.914 41.754 40.800 0.066 0.000 1.050 420 D HN 0.499 nan 8.370 nan 0.000 0.491 421 Y N 1.574 121.802 120.300 -0.121 0.000 2.439 421 Y HA -0.159 4.410 4.550 0.032 0.000 0.292 421 Y C 2.649 178.482 175.900 -0.111 0.000 1.130 421 Y CA 0.914 58.918 58.100 -0.159 0.000 1.254 421 Y CB -0.290 38.012 38.460 -0.264 0.000 1.000 421 Y HN 0.431 nan 8.280 nan 0.000 0.554 422 S N -1.133 114.604 115.700 0.061 0.000 2.382 422 S HA -0.179 4.302 4.470 0.019 0.000 0.228 422 S C 1.828 176.435 174.600 0.011 0.000 1.027 422 S CA 1.682 59.900 58.200 0.029 0.000 0.991 422 S CB -0.993 62.224 63.200 0.028 0.000 0.823 422 S HN 0.548 nan 8.310 nan 0.000 0.469 423 T N -3.553 111.000 114.554 -0.001 0.000 2.971 423 T HA 0.267 4.628 4.350 0.019 0.000 0.252 423 T C 0.563 175.249 174.700 -0.022 0.000 1.022 423 T CA 0.212 62.306 62.100 -0.010 0.000 0.980 423 T CB 0.029 68.891 68.868 -0.010 0.000 1.044 423 T HN 0.170 nan 8.240 nan 0.000 0.501 424 Q N -0.030 119.748 119.800 -0.038 0.000 2.424 424 Q HA -0.151 4.200 4.340 0.019 0.000 0.234 424 Q C 0.008 175.968 176.000 -0.067 0.000 0.748 424 Q CA 0.834 56.604 55.803 -0.056 0.000 1.286 424 Q CB -1.800 26.924 28.738 -0.023 0.000 1.494 424 Q HN 0.722 nan 8.270 nan 0.000 0.683 425 K N 1.172 121.539 120.400 -0.055 0.000 2.448 425 K HA 0.181 4.512 4.320 0.019 0.000 0.278 425 K C -0.091 176.480 176.600 -0.049 0.000 1.009 425 K CA 0.174 56.437 56.287 -0.040 0.000 0.995 425 K CB 0.482 32.972 32.500 -0.017 0.000 0.917 425 K HN -0.063 nan 8.250 nan 0.000 0.481 426 R N 3.359 123.833 120.500 -0.042 0.000 2.346 426 R HA 0.392 4.743 4.340 0.019 0.000 0.311 426 R C -0.724 175.568 176.300 -0.012 0.000 0.983 426 R CA -0.449 55.628 56.100 -0.038 0.000 0.880 426 R CB 0.930 31.196 30.300 -0.056 0.000 1.100 426 R HN 0.435 nan 8.270 nan 0.000 0.453 427 I N 3.781 124.363 120.570 0.020 0.000 2.411 427 I HA 0.231 4.413 4.170 0.019 0.000 0.284 427 I C -0.225 175.864 176.117 -0.046 0.000 1.012 427 I CA -1.051 60.245 61.300 -0.007 0.000 1.119 427 I CB 1.501 39.486 38.000 -0.025 0.000 1.261 427 I HN 0.273 nan 8.210 nan 0.000 0.448 428 V N 7.163 127.002 119.914 -0.125 0.000 2.540 428 V HA 0.022 4.154 4.120 0.019 0.000 0.297 428 V C 1.004 176.907 176.094 -0.318 0.000 1.024 428 V CA -0.270 61.844 62.300 -0.309 0.000 1.105 428 V CB -0.357 31.082 31.823 -0.640 0.000 0.938 428 V HN 0.630 nan 8.190 nan 0.000 0.482 429 K N 3.286 123.556 120.400 -0.217 0.000 2.107 429 K HA 0.201 4.533 4.320 0.019 0.000 0.251 429 K C 0.573 177.138 176.600 -0.060 0.000 1.012 429 K CA -0.721 55.504 56.287 -0.103 0.000 0.920 429 K CB 0.560 33.049 32.500 -0.019 0.000 1.033 429 K HN 0.499 nan 8.250 nan 0.000 0.478 430 D N 0.673 121.120 120.400 0.078 0.000 2.158 430 D HA -0.182 4.469 4.640 0.019 0.000 0.197 430 D C 1.886 178.328 176.300 0.236 0.000 0.995 430 D CA 1.834 55.974 54.000 0.233 0.000 0.846 430 D CB -0.211 40.706 40.800 0.195 0.000 0.941 430 D HN 0.574 nan 8.370 nan 0.000 0.456 431 S N -0.459 115.328 115.700 0.145 0.000 2.383 431 S HA -0.057 4.425 4.470 0.019 0.000 0.227 431 S C 2.259 177.047 174.600 0.313 0.000 1.026 431 S CA 1.149 59.473 58.200 0.208 0.000 0.981 431 S CB -0.855 62.413 63.200 0.114 0.000 0.818 431 S HN 0.271 nan 8.310 nan 0.000 0.472 432 G N 0.312 109.189 108.800 0.130 0.000 2.418 432 G HA2 -0.122 3.849 3.960 0.019 0.000 0.217 432 G HA3 -0.122 3.849 3.960 0.019 0.000 0.217 432 G C 1.209 176.172 174.900 0.105 0.000 1.158 432 G CA 0.846 45.987 45.100 0.068 0.000 0.771 432 G HN 0.548 nan 8.290 nan 0.000 0.545 433 Y N -0.977 119.427 120.300 0.174 0.000 2.200 433 Y HA 0.004 4.567 4.550 0.021 0.000 0.290 433 Y C 2.441 178.429 175.900 0.147 0.000 1.137 433 Y CA 0.367 58.539 58.100 0.121 0.000 1.163 433 Y CB -0.776 37.741 38.460 0.096 0.000 0.988 433 Y HN 0.402 nan 8.280 nan 0.000 0.518 434 W N -0.489 120.932 121.300 0.201 0.000 2.335 434 W HA -0.336 4.336 4.660 0.019 0.000 0.311 434 W C 2.329 178.905 176.519 0.094 0.000 1.213 434 W CA 2.108 59.526 57.345 0.122 0.000 1.274 434 W CB -0.942 28.590 29.460 0.120 0.000 1.148 434 W HN 0.171 nan 8.180 nan 0.000 0.498 435 Y N 1.911 122.289 120.300 0.131 0.000 2.181 435 Y HA -0.243 4.320 4.550 0.022 0.000 0.288 435 Y C 2.939 178.653 175.900 -0.309 0.000 1.146 435 Y CA 2.449 60.453 58.100 -0.160 0.000 1.164 435 Y CB -1.092 37.456 38.460 0.146 0.000 0.982 435 Y HN 0.084 nan 8.280 nan 0.000 0.515 436 S N -0.257 115.339 115.700 -0.173 0.000 2.400 436 S HA -0.267 4.214 4.470 0.019 0.000 0.232 436 S C 1.966 176.358 174.600 -0.347 0.000 1.025 436 S CA 1.671 59.725 58.200 -0.244 0.000 0.993 436 S CB -0.854 62.324 63.200 -0.036 0.000 0.808 436 S HN 0.600 nan 8.310 nan 0.000 0.478 437 N N 1.342 119.831 118.700 -0.352 0.000 2.135 437 N HA -0.021 4.730 4.740 0.019 0.000 0.186 437 N C 1.604 176.786 175.510 -0.546 0.000 1.027 437 N CA 1.517 54.344 53.050 -0.372 0.000 0.849 437 N CB -0.682 37.615 38.487 -0.317 0.000 1.002 437 N HN 0.294 nan 8.380 nan 0.000 0.425 438 V N 0.182 119.605 119.914 -0.818 0.000 2.282 438 V HA -0.252 3.879 4.120 0.019 0.000 0.249 438 V C 2.344 177.773 176.094 -1.108 0.000 1.057 438 V CA 1.714 63.415 62.300 -0.998 0.000 1.032 438 V CB -0.717 30.335 31.823 -1.284 0.000 0.645 438 V HN 0.179 nan 8.190 nan 0.000 0.447 439 V N 0.027 119.220 119.914 -1.202 0.000 2.261 439 V HA -0.324 3.807 4.120 0.019 0.000 0.246 439 V C 2.433 178.208 176.094 -0.532 0.000 1.047 439 V CA 2.499 64.144 62.300 -1.091 0.000 1.015 439 V CB -0.796 30.552 31.823 -0.791 0.000 0.642 439 V HN 0.599 nan 8.190 nan 0.000 0.446 440 K N 0.538 120.703 120.400 -0.391 0.000 2.044 440 K HA -0.247 4.084 4.320 0.019 0.000 0.210 440 K C 1.705 178.194 176.600 -0.184 0.000 1.049 440 K CA 2.166 58.320 56.287 -0.221 0.000 0.927 440 K CB -0.245 32.145 32.500 -0.183 0.000 0.713 440 K HN 0.452 nan 8.250 nan 0.000 0.443 441 N N 1.388 119.941 118.700 -0.245 0.000 2.521 441 N HA -0.105 4.646 4.740 0.019 0.000 0.188 441 N C -0.069 175.372 175.510 -0.115 0.000 1.146 441 N CA 0.538 53.485 53.050 -0.171 0.000 0.893 441 N CB -0.397 37.971 38.487 -0.198 0.000 0.975 441 N HN 0.306 nan 8.380 nan 0.000 0.451 442 N N 0.062 118.678 118.700 -0.141 0.000 2.721 442 N HA -0.185 4.566 4.740 0.019 0.000 0.249 442 N C 0.041 175.654 175.510 0.171 0.000 1.072 442 N CA 1.146 54.266 53.050 0.116 0.000 0.710 442 N CB -1.069 37.574 38.487 0.260 0.000 0.993 442 N HN 0.550 nan 8.380 nan 0.000 0.547 443 G N -2.356 106.357 108.800 -0.145 0.000 2.345 443 G HA2 0.312 4.283 3.960 0.019 0.000 0.285 443 G HA3 0.312 4.283 3.960 0.019 0.000 0.285 443 G C -1.109 173.664 174.900 -0.211 0.000 1.297 443 G CA -0.442 44.649 45.100 -0.015 0.000 0.875 443 G HN 0.257 nan 8.290 nan 0.000 0.506 444 L N 0.529 121.684 121.223 -0.113 0.000 2.431 444 L HA 0.810 5.161 4.340 0.019 0.000 0.260 444 L C 0.668 177.453 176.870 -0.142 0.000 1.098 444 L CA -0.736 54.018 54.840 -0.143 0.000 0.800 444 L CB 1.511 43.539 42.059 -0.051 0.000 1.210 444 L HN 0.972 nan 8.230 nan 0.000 0.465 445 E N 0.000 120.140 120.200 -0.100 0.000 2.725 445 E HA 0.000 4.361 4.350 0.019 0.000 0.291 445 E CA 0.000 56.349 56.400 -0.085 0.000 0.976 445 E CB 0.000 29.650 29.700 -0.084 0.000 0.812 445 E HN 0.000 nan 8.360 nan 0.000 0.440