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 2j7b_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 XXXIRAVRFM HQFNNYPLFL DATA SEQUENCE NPIYRGDYPE LVLEFAREYL PENYKDDMSE IQEKIDFVGL NYYSGHLVKF DATA SEQUENCE DPDXXAKVSF 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 0.000 175.876 176.094 -0.364 0.000 1.182 3 V CA 0.000 62.185 62.300 -0.192 0.000 1.235 3 V CB 0.000 31.754 31.823 -0.115 0.000 1.184 4 K N 1.921 122.042 120.400 -0.465 0.000 2.579 4 K HA 0.534 4.854 4.320 0.001 0.000 0.225 4 K C -0.838 175.552 176.600 -0.349 0.000 0.992 4 K CA -0.560 55.162 56.287 -0.941 0.000 1.018 4 K CB 1.917 33.513 32.500 -1.507 0.000 1.249 4 K HN 0.733 nan 8.250 nan 0.000 0.489 5 K N 2.206 122.604 120.400 -0.004 0.000 2.172 5 K HA 0.331 4.651 4.320 0.001 0.000 0.276 5 K C -0.701 176.115 176.600 0.360 0.000 1.013 5 K CA -0.424 55.995 56.287 0.220 0.000 0.913 5 K CB 0.542 33.132 32.500 0.151 0.000 1.055 5 K HN 0.137 nan 8.250 nan 0.000 0.461 6 F N 3.732 123.776 119.950 0.157 0.000 2.368 6 F HA 0.338 4.866 4.527 0.001 0.000 0.315 6 F C -1.539 174.263 175.800 0.003 0.000 1.145 6 F CA -2.075 55.913 58.000 -0.021 0.000 1.095 6 F CB 0.170 38.916 39.000 -0.423 0.000 1.286 6 F HN 0.489 nan 8.300 nan 0.000 0.530 7 P HA -0.022 nan 4.420 nan 0.000 0.269 7 P C -0.529 176.887 177.300 0.194 0.000 1.217 7 P CA -0.192 62.983 63.100 0.125 0.000 0.783 7 P CB 0.398 32.168 31.700 0.117 0.000 0.898 8 E N 1.048 121.333 120.200 0.142 0.000 2.415 8 E HA 0.099 4.449 4.350 0.001 0.000 0.263 8 E C 1.237 177.926 176.600 0.148 0.000 0.995 8 E CA 1.327 57.810 56.400 0.138 0.000 0.915 8 E CB -0.071 29.686 29.700 0.095 0.000 0.951 8 E HN 0.788 nan 8.360 nan 0.000 0.449 9 G N 4.271 113.164 108.800 0.155 0.000 2.162 9 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 9 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 9 G C 0.187 175.163 174.900 0.126 0.000 0.976 9 G CA 0.257 45.435 45.100 0.129 0.000 0.655 9 G HN 0.571 nan 8.290 nan 0.000 0.533 10 F N 0.346 120.293 119.950 -0.005 0.000 2.629 10 F HA 0.417 4.944 4.527 0.001 0.000 0.377 10 F C 0.623 176.270 175.800 -0.255 0.000 1.101 10 F CA -0.445 57.467 58.000 -0.147 0.000 1.301 10 F CB 0.442 39.334 39.000 -0.180 0.000 1.062 10 F HN 0.025 nan 8.300 nan 0.000 0.583 11 L N 8.008 128.742 121.223 -0.816 0.000 2.270 11 L HA 0.238 4.578 4.340 0.001 0.000 0.286 11 L C -1.391 175.021 176.870 -0.763 0.000 1.059 11 L CA -0.387 54.122 54.840 -0.552 0.000 0.839 11 L CB -0.259 41.596 42.059 -0.340 0.000 1.221 11 L HN 0.518 nan 8.230 nan 0.000 0.431 12 W N 4.108 125.247 121.300 -0.268 0.000 2.322 12 W HA 0.613 5.273 4.660 0.001 0.000 0.307 12 W C 0.819 177.169 176.519 -0.282 0.000 1.220 12 W CA -0.186 57.048 57.345 -0.186 0.000 1.210 12 W CB 1.367 30.738 29.460 -0.148 0.000 1.223 12 W HN 0.651 nan 8.180 nan 0.000 0.511 13 G N 1.009 109.723 108.800 -0.145 0.000 2.733 13 G HA2 0.738 4.698 3.960 0.001 0.000 0.288 13 G HA3 0.738 4.698 3.960 0.001 0.000 0.288 13 G C -1.313 173.720 174.900 0.222 0.000 1.373 13 G CA -0.924 44.032 45.100 -0.240 0.000 0.895 13 G HN 0.645 nan 8.290 nan 0.000 0.479 14 V N -3.238 116.900 119.914 0.373 0.000 3.001 14 V HA 0.987 5.108 4.120 0.001 0.000 0.314 14 V C -0.099 176.273 176.094 0.465 0.000 1.099 14 V CA -0.797 61.717 62.300 0.357 0.000 0.989 14 V CB 1.337 33.302 31.823 0.237 0.000 1.040 14 V HN 1.822 nan 8.190 nan 0.000 0.434 15 A N 1.807 124.777 122.820 0.250 0.000 2.435 15 A HA 1.035 5.355 4.320 0.001 0.000 0.304 15 A C -0.133 177.323 177.584 -0.212 0.000 1.064 15 A CA 0.003 52.132 52.037 0.153 0.000 0.727 15 A CB 1.954 21.131 19.000 0.294 0.000 1.284 15 A HN 1.955 nan 8.150 nan 0.000 0.415 16 T N -1.944 112.525 114.554 -0.142 0.000 2.696 16 T HA 0.913 5.263 4.350 0.001 0.000 0.291 16 T C -0.444 174.245 174.700 -0.017 0.000 1.095 16 T CA -0.188 61.714 62.100 -0.329 0.000 1.026 16 T CB 1.496 70.291 68.868 -0.121 0.000 1.390 16 T HN 2.269 nan 8.240 nan 0.000 0.513 17 A N 0.343 123.138 122.820 -0.041 0.000 2.515 17 A HA 0.726 5.047 4.320 0.001 0.000 0.298 17 A C 1.091 178.676 177.584 0.002 0.000 1.059 17 A CA -0.115 51.819 52.037 -0.172 0.000 0.698 17 A CB 1.345 19.900 19.000 -0.742 0.000 1.289 17 A HN 1.459 nan 8.150 nan 0.000 0.404 18 S N 0.869 116.655 115.700 0.144 0.000 2.353 18 S HA -0.265 4.206 4.470 0.001 0.000 0.222 18 S C 1.684 176.418 174.600 0.223 0.000 1.035 18 S CA 2.128 60.507 58.200 0.298 0.000 1.025 18 S CB -0.825 62.636 63.200 0.434 0.000 0.902 18 S HN 0.981 nan 8.310 nan 0.000 0.440 19 Y N 2.630 122.989 120.300 0.099 0.000 2.352 19 Y HA -0.006 4.544 4.550 0.000 0.000 0.292 19 Y C 2.618 178.421 175.900 -0.161 0.000 1.136 19 Y CA 1.498 59.608 58.100 0.016 0.000 1.227 19 Y CB -0.438 38.081 38.460 0.099 0.000 0.991 19 Y HN 0.370 nan 8.280 nan 0.000 0.545 20 Q N -0.430 119.244 119.800 -0.210 0.000 2.230 20 Q HA -0.068 4.272 4.340 0.001 0.000 0.202 20 Q C 1.954 177.890 176.000 -0.106 0.000 0.963 20 Q CA 1.834 57.478 55.803 -0.265 0.000 0.866 20 Q CB 0.021 28.560 28.738 -0.332 0.000 0.931 20 Q HN 0.754 nan 8.270 nan 0.000 0.452 21 I N -4.056 116.479 120.570 -0.059 0.000 4.244 21 I HA 0.147 4.317 4.170 0.001 0.000 0.318 21 I C 1.496 177.680 176.117 0.111 0.000 1.282 21 I CA 0.070 61.382 61.300 0.020 0.000 1.276 21 I CB 0.192 38.158 38.000 -0.055 0.000 1.183 21 I HN -0.122 nan 8.210 nan 0.000 0.431 22 E N 2.417 122.691 120.200 0.123 0.000 2.072 22 E HA 0.151 4.501 4.350 0.001 0.000 0.191 22 E C 1.418 178.075 176.600 0.095 0.000 0.985 22 E CA 0.924 57.460 56.400 0.226 0.000 0.801 22 E CB -0.247 29.603 29.700 0.250 0.000 0.750 22 E HN 0.653 nan 8.360 nan 0.000 0.452 23 G N 0.601 109.361 108.800 -0.065 0.000 2.749 23 G HA2 -0.347 3.614 3.960 0.001 0.000 0.242 23 G HA3 -0.347 3.614 3.960 0.001 0.000 0.242 23 G C 0.139 174.941 174.900 -0.164 0.000 1.364 23 G CA -0.135 44.897 45.100 -0.113 0.000 0.888 23 G HN 0.292 nan 8.290 nan 0.000 0.566 24 S N -0.368 115.231 115.700 -0.169 0.000 3.631 24 S HA -0.164 4.306 4.470 0.001 0.000 0.366 24 S C -0.402 173.978 174.600 -0.367 0.000 0.993 24 S CA 1.371 59.394 58.200 -0.294 0.000 1.167 24 S CB -0.751 62.170 63.200 -0.465 0.000 0.909 24 S HN 0.987 nan 8.310 nan 0.000 0.478 25 P HA -0.027 nan 4.420 nan 0.000 0.222 25 P C 0.851 178.041 177.300 -0.182 0.000 1.147 25 P CA 0.932 63.970 63.100 -0.103 0.000 0.790 25 P CB 0.034 31.792 31.700 0.097 0.000 0.780 26 L N -1.740 119.351 121.223 -0.219 0.000 2.857 26 L HA 0.355 4.695 4.340 0.001 0.000 0.249 26 L C 1.093 177.850 176.870 -0.187 0.000 1.172 26 L CA -0.624 54.092 54.840 -0.208 0.000 0.980 26 L CB -0.112 41.815 42.059 -0.221 0.000 1.299 26 L HN -0.178 nan 8.230 nan 0.000 0.535 27 A N -0.119 122.536 122.820 -0.275 0.000 2.425 27 A HA 0.145 4.466 4.320 0.001 0.000 0.242 27 A C 0.516 178.008 177.584 -0.154 0.000 1.077 27 A CA -0.082 51.806 52.037 -0.249 0.000 0.781 27 A CB 0.019 18.750 19.000 -0.449 0.000 1.020 27 A HN 0.506 nan 8.150 nan 0.000 0.494 28 D N 0.395 120.771 120.400 -0.041 0.000 2.701 28 D HA -0.203 4.437 4.640 0.001 0.000 0.235 28 D C 1.012 177.324 176.300 0.020 0.000 1.155 28 D CA 2.321 56.336 54.000 0.026 0.000 0.649 28 D CB -1.497 39.368 40.800 0.109 0.000 1.050 28 D HN 1.918 nan 8.370 nan 0.000 0.425 29 G N -1.432 107.363 108.800 -0.008 0.000 2.159 29 G HA2 -0.163 3.798 3.960 0.001 0.000 0.256 29 G HA3 -0.163 3.798 3.960 0.001 0.000 0.256 29 G C 0.549 175.450 174.900 0.002 0.000 0.977 29 G CA 0.687 45.788 45.100 0.002 0.000 0.652 29 G HN 1.250 nan 8.290 nan 0.000 0.531 30 A N 0.292 123.102 122.820 -0.016 0.000 2.498 30 A HA 0.623 4.944 4.320 0.001 0.000 0.239 30 A C 1.252 178.820 177.584 -0.028 0.000 1.068 30 A CA 1.087 53.123 52.037 -0.003 0.000 0.766 30 A CB 0.335 19.314 19.000 -0.035 0.000 1.003 30 A HN 1.793 nan 8.150 nan 0.000 0.497 31 G N 1.028 109.826 108.800 -0.004 0.000 2.537 31 G HA2 0.480 4.441 3.960 0.001 0.000 0.273 31 G HA3 0.480 4.441 3.960 0.001 0.000 0.273 31 G C 0.226 175.101 174.900 -0.042 0.000 1.189 31 G CA -0.862 44.222 45.100 -0.027 0.000 0.881 31 G HN 0.761 nan 8.290 nan 0.000 0.535 32 M N 0.906 120.465 119.600 -0.067 0.000 2.252 32 M HA 0.178 4.659 4.480 0.001 0.000 0.333 32 M C 0.979 177.319 176.300 0.067 0.000 1.111 32 M CA 0.078 55.322 55.300 -0.094 0.000 1.140 32 M CB 0.908 33.414 32.600 -0.156 0.000 1.538 32 M HN 0.641 nan 8.290 nan 0.000 0.448 33 S N 2.266 118.047 115.700 0.134 0.000 2.718 33 S HA 0.458 4.928 4.470 0.001 0.000 0.300 33 S C 0.934 175.675 174.600 0.235 0.000 1.117 33 S CA -1.010 57.311 58.200 0.202 0.000 1.002 33 S CB 0.803 64.149 63.200 0.244 0.000 1.092 33 S HN 0.793 nan 8.310 nan 0.000 0.542 34 I N -2.816 117.896 120.570 0.237 0.000 2.567 34 I HA 0.039 4.209 4.170 0.001 0.000 0.257 34 I C 1.609 177.729 176.117 0.004 0.000 1.184 34 I CA 0.885 62.288 61.300 0.172 0.000 1.451 34 I CB -0.378 37.667 38.000 0.075 0.000 1.089 34 I HN 0.633 nan 8.210 nan 0.000 0.441 35 W N 1.000 122.303 121.300 0.005 0.000 2.476 35 W HA -0.063 4.598 4.660 0.001 0.000 0.281 35 W C 2.685 179.132 176.519 -0.120 0.000 1.230 35 W CA 1.541 58.793 57.345 -0.155 0.000 1.287 35 W CB -0.382 28.733 29.460 -0.574 0.000 1.108 35 W HN 0.275 nan 8.180 nan 0.000 0.567 36 H N 0.015 119.129 119.070 0.074 0.000 2.290 36 H HA -0.210 4.346 4.556 0.001 0.000 0.298 36 H C 2.409 177.868 175.328 0.217 0.000 1.087 36 H CA 3.206 59.407 56.048 0.255 0.000 1.291 36 H CB -0.396 29.469 29.762 0.172 0.000 1.369 36 H HN 0.009 nan 8.280 nan 0.000 0.492 37 T N -2.269 112.334 114.554 0.082 0.000 2.857 37 T HA -0.172 4.178 4.350 0.001 0.000 0.266 37 T C 2.019 176.732 174.700 0.021 0.000 1.048 37 T CA 1.098 63.156 62.100 -0.069 0.000 1.139 37 T CB -0.840 67.842 68.868 -0.311 0.000 0.874 37 T HN 0.305 nan 8.240 nan 0.000 0.455 38 F N 3.262 123.140 119.950 -0.120 0.000 2.102 38 F HA -0.082 4.446 4.527 0.002 0.000 0.298 38 F C 2.741 178.498 175.800 -0.071 0.000 1.105 38 F CA 1.737 59.629 58.000 -0.181 0.000 1.239 38 F CB -0.489 38.218 39.000 -0.489 0.000 0.991 38 F HN 0.340 nan 8.300 nan 0.000 0.474 39 S N -1.513 114.256 115.700 0.115 0.000 2.428 39 S HA -0.181 4.289 4.470 0.001 0.000 0.230 39 S C 1.841 176.337 174.600 -0.174 0.000 1.014 39 S CA 1.049 59.299 58.200 0.083 0.000 0.957 39 S CB -0.964 62.444 63.200 0.347 0.000 0.784 39 S HN 0.527 nan 8.310 nan 0.000 0.499 40 H N 1.364 120.357 119.070 -0.128 0.000 2.556 40 H HA 0.190 4.746 4.556 0.000 0.000 0.268 40 H C -0.114 175.127 175.328 -0.145 0.000 0.996 40 H CA 0.760 56.706 56.048 -0.170 0.000 1.157 40 H CB -0.108 29.476 29.762 -0.296 0.000 1.355 40 H HN 0.388 nan 8.280 nan 0.000 0.597 41 T N 3.642 118.128 114.554 -0.112 0.000 2.733 41 T HA 0.202 4.552 4.350 0.001 0.000 0.294 41 T C -2.336 172.266 174.700 -0.163 0.000 0.956 41 T CA -1.406 60.611 62.100 -0.139 0.000 0.987 41 T CB 1.637 70.387 68.868 -0.196 0.000 0.920 41 T HN 0.051 nan 8.240 nan 0.000 0.470 42 P HA 0.220 nan 4.420 nan 0.000 0.262 42 P C 1.095 178.335 177.300 -0.101 0.000 1.182 42 P CA 0.917 63.968 63.100 -0.082 0.000 0.761 42 P CB 0.357 32.029 31.700 -0.047 0.000 0.795 43 G N 3.064 111.812 108.800 -0.087 0.000 2.232 43 G HA2 -0.253 3.707 3.960 0.001 0.000 0.226 43 G HA3 -0.253 3.707 3.960 0.001 0.000 0.226 43 G C 1.179 176.017 174.900 -0.103 0.000 0.996 43 G CA -0.043 45.013 45.100 -0.073 0.000 0.626 43 G HN 0.473 nan 8.290 nan 0.000 0.509 44 N N -0.127 118.442 118.700 -0.218 0.000 2.376 44 N HA 0.207 4.947 4.740 0.001 0.000 0.177 44 N C 0.575 176.040 175.510 -0.074 0.000 1.024 44 N CA 1.363 54.206 53.050 -0.344 0.000 0.893 44 N CB 0.462 38.280 38.487 -1.116 0.000 0.980 44 N HN 0.436 nan 8.380 nan 0.000 0.439 45 V N 1.283 121.196 119.914 -0.001 0.000 2.656 45 V HA 0.227 4.347 4.120 0.001 0.000 0.307 45 V C 0.112 176.253 176.094 0.080 0.000 1.051 45 V CA -1.204 61.179 62.300 0.138 0.000 0.893 45 V CB 2.603 34.589 31.823 0.272 0.000 0.999 45 V HN -0.063 nan 8.190 nan 0.000 0.426 46 K N 2.814 123.259 120.400 0.074 0.000 2.524 46 K HA -0.029 4.291 4.320 0.001 0.000 0.279 46 K C 0.917 177.546 176.600 0.048 0.000 0.993 46 K CA 0.875 57.190 56.287 0.047 0.000 1.030 46 K CB -0.129 32.390 32.500 0.032 0.000 0.891 46 K HN 0.777 nan 8.250 nan 0.000 0.488 47 N N 1.086 119.810 118.700 0.041 0.000 2.815 47 N HA -0.212 4.529 4.740 0.001 0.000 0.247 47 N C 0.387 175.924 175.510 0.044 0.000 1.030 47 N CA 1.509 54.585 53.050 0.044 0.000 0.881 47 N CB -1.023 37.497 38.487 0.056 0.000 1.134 47 N HN 0.974 nan 8.380 nan 0.000 0.582 48 G N -1.030 107.793 108.800 0.037 0.000 2.179 48 G HA2 -0.310 3.650 3.960 0.001 0.000 0.257 48 G HA3 -0.310 3.650 3.960 0.001 0.000 0.257 48 G C -0.353 174.572 174.900 0.042 0.000 1.010 48 G CA 0.363 45.474 45.100 0.018 0.000 0.736 48 G HN 0.610 nan 8.290 nan 0.000 0.513 49 D N 0.533 121.003 120.400 0.116 0.000 2.362 49 D HA 0.558 5.199 4.640 0.001 0.000 0.242 49 D C 1.129 177.575 176.300 0.243 0.000 1.132 49 D CA 1.253 55.382 54.000 0.214 0.000 0.907 49 D CB 1.279 42.232 40.800 0.255 0.000 1.195 49 D HN 0.590 nan 8.370 nan 0.000 0.429 50 T N -2.976 111.657 114.554 0.132 0.000 2.838 50 T HA 0.588 4.939 4.350 0.001 0.000 0.292 50 T C 0.777 175.191 174.700 -0.477 0.000 1.113 50 T CA -0.876 61.133 62.100 -0.152 0.000 1.008 50 T CB 1.457 70.132 68.868 -0.322 0.000 1.259 50 T HN 0.172 nan 8.240 nan 0.000 0.520 51 G N -0.206 108.161 108.800 -0.722 0.000 3.383 51 G HA2 0.190 4.151 3.960 0.001 0.000 0.251 51 G HA3 0.190 4.151 3.960 0.001 0.000 0.251 51 G C 0.476 175.102 174.900 -0.456 0.000 1.203 51 G CA -0.183 44.300 45.100 -1.028 0.000 0.852 51 G HN 0.728 nan 8.290 nan 0.000 0.531 52 D N 0.241 120.559 120.400 -0.137 0.000 2.123 52 D HA -0.108 4.532 4.640 0.001 0.000 0.196 52 D C 2.394 178.656 176.300 -0.064 0.000 0.992 52 D CA 1.041 55.039 54.000 -0.003 0.000 0.833 52 D CB 0.316 41.171 40.800 0.091 0.000 0.954 52 D HN 0.292 nan 8.370 nan 0.000 0.455 53 V N -0.711 119.150 119.914 -0.088 0.000 2.996 53 V HA 0.377 4.497 4.120 0.001 0.000 0.235 53 V C 1.314 177.364 176.094 -0.074 0.000 1.205 53 V CA 0.584 62.837 62.300 -0.078 0.000 1.225 53 V CB -0.174 31.599 31.823 -0.083 0.000 0.995 53 V HN 0.311 nan 8.190 nan 0.000 0.484 54 A N 0.229 122.989 122.820 -0.100 0.000 5.391 54 A HA -0.378 3.942 4.320 0.001 0.000 0.315 54 A C 1.410 179.036 177.584 0.070 0.000 1.874 54 A CA 1.830 53.878 52.037 0.019 0.000 0.714 54 A CB -2.041 16.965 19.000 0.011 0.000 1.335 54 A HN 0.662 nan 8.150 nan 0.000 0.382 55 C N 0.041 119.438 119.300 0.161 0.000 2.673 55 C HA 0.444 4.905 4.460 0.001 0.000 0.274 55 C C 1.068 176.138 174.990 0.133 0.000 1.276 55 C CA 1.025 60.146 59.018 0.172 0.000 1.701 55 C CB -1.263 26.564 27.740 0.146 0.000 1.836 55 C HN 1.061 nan 8.230 nan 0.000 0.596 56 D N 0.137 120.606 120.400 0.115 0.000 2.811 56 D HA -0.267 4.373 4.640 0.001 0.000 0.231 56 D C 0.702 177.114 176.300 0.187 0.000 1.157 56 D CA 1.033 55.104 54.000 0.118 0.000 0.716 56 D CB -1.465 39.377 40.800 0.070 0.000 1.077 56 D HN 0.738 nan 8.370 nan 0.000 0.428 57 H N -1.428 117.732 119.070 0.149 0.000 2.489 57 H HA -0.114 4.443 4.556 0.001 0.000 0.293 57 H C 1.664 177.215 175.328 0.372 0.000 1.066 57 H CA 1.998 58.181 56.048 0.225 0.000 1.305 57 H CB -0.214 29.685 29.762 0.228 0.000 1.386 57 H HN 0.477 nan 8.280 nan 0.000 0.551 58 Y N 0.468 120.856 120.300 0.147 0.000 2.256 58 Y HA -0.217 4.333 4.550 0.001 0.000 0.288 58 Y C 1.613 177.605 175.900 0.153 0.000 1.155 58 Y CA 1.886 59.947 58.100 -0.064 0.000 1.203 58 Y CB -0.009 38.284 38.460 -0.279 0.000 0.980 58 Y HN 0.355 nan 8.280 nan 0.000 0.530 59 N N -0.812 117.991 118.700 0.171 0.000 2.414 59 N HA 0.062 4.802 4.740 0.001 0.000 0.177 59 N C 1.060 176.555 175.510 -0.024 0.000 1.062 59 N CA 0.478 53.590 53.050 0.103 0.000 0.890 59 N CB 0.072 38.604 38.487 0.075 0.000 1.070 59 N HN 0.354 nan 8.380 nan 0.000 0.454 60 R N 0.951 121.421 120.500 -0.049 0.000 2.393 60 R HA 0.117 4.457 4.340 0.001 0.000 0.244 60 R C 1.655 177.768 176.300 -0.312 0.000 0.920 60 R CA -0.253 55.739 56.100 -0.180 0.000 1.076 60 R CB -0.075 30.192 30.300 -0.056 0.000 1.119 60 R HN 0.363 nan 8.270 nan 0.000 0.524 61 W N 1.638 122.699 121.300 -0.399 0.000 2.305 61 W HA -0.239 4.421 4.660 0.000 0.000 0.308 61 W C 1.159 177.510 176.519 -0.281 0.000 1.226 61 W CA 0.963 57.919 57.345 -0.649 0.000 1.253 61 W CB -0.690 28.339 29.460 -0.718 0.000 1.146 61 W HN 0.021 nan 8.180 nan 0.000 0.507 62 K N 1.431 121.074 120.400 -1.262 0.000 2.025 62 K HA -0.247 4.073 4.320 0.001 0.000 0.207 62 K C 2.342 178.663 176.600 -0.465 0.000 1.049 62 K CA 1.987 57.664 56.287 -1.016 0.000 0.933 62 K CB -0.434 31.246 32.500 -1.367 0.000 0.714 62 K HN 0.256 nan 8.250 nan 0.000 0.438 63 E N 0.652 120.608 120.200 -0.407 0.000 2.058 63 E HA -0.248 4.102 4.350 0.001 0.000 0.194 63 E C 1.279 177.787 176.600 -0.154 0.000 0.997 63 E CA 1.885 58.146 56.400 -0.231 0.000 0.801 63 E CB -0.092 29.495 29.700 -0.189 0.000 0.746 63 E HN 0.264 nan 8.360 nan 0.000 0.450 64 D N 0.694 121.026 120.400 -0.112 0.000 2.123 64 D HA -0.164 4.476 4.640 0.001 0.000 0.196 64 D C 2.132 178.363 176.300 -0.114 0.000 0.992 64 D CA 1.303 55.274 54.000 -0.049 0.000 0.833 64 D CB -0.243 40.639 40.800 0.137 0.000 0.954 64 D HN 0.369 nan 8.370 nan 0.000 0.455 65 I N 0.933 121.436 120.570 -0.112 0.000 2.252 65 I HA -0.212 3.958 4.170 0.001 0.000 0.245 65 I C 2.202 178.251 176.117 -0.113 0.000 1.102 65 I CA 0.976 62.192 61.300 -0.140 0.000 1.385 65 I CB -0.247 37.721 38.000 -0.054 0.000 1.064 65 I HN -0.037 nan 8.210 nan 0.000 0.414 66 E N 0.989 121.122 120.200 -0.112 0.000 2.130 66 E HA -0.231 4.119 4.350 0.001 0.000 0.196 66 E C 2.236 178.789 176.600 -0.077 0.000 0.998 66 E CA 1.314 57.659 56.400 -0.093 0.000 0.806 66 E CB -0.109 29.526 29.700 -0.109 0.000 0.738 66 E HN 0.518 nan 8.360 nan 0.000 0.459 67 I N 0.704 121.222 120.570 -0.087 0.000 2.179 67 I HA -0.276 3.894 4.170 0.001 0.000 0.242 67 I C 2.306 178.383 176.117 -0.067 0.000 1.088 67 I CA 1.020 62.276 61.300 -0.073 0.000 1.357 67 I CB -0.293 37.658 38.000 -0.082 0.000 1.051 67 I HN 0.113 nan 8.210 nan 0.000 0.409 68 I N 0.708 121.221 120.570 -0.095 0.000 2.127 68 I HA -0.343 3.827 4.170 0.001 0.000 0.241 68 I C 2.670 178.765 176.117 -0.037 0.000 1.075 68 I CA 1.702 62.957 61.300 -0.075 0.000 1.334 68 I CB -0.523 37.393 38.000 -0.141 0.000 1.040 68 I HN 0.316 nan 8.210 nan 0.000 0.405 69 E N 1.676 121.851 120.200 -0.041 0.000 2.049 69 E HA -0.283 4.068 4.350 0.001 0.000 0.198 69 E C 2.167 178.755 176.600 -0.020 0.000 1.007 69 E CA 1.620 58.006 56.400 -0.023 0.000 0.809 69 E CB 0.020 29.705 29.700 -0.026 0.000 0.749 69 E HN 0.407 nan 8.360 nan 0.000 0.450 70 K N 0.067 120.453 120.400 -0.023 0.000 2.147 70 K HA -0.109 4.211 4.320 0.001 0.000 0.205 70 K C 2.181 178.780 176.600 -0.001 0.000 1.049 70 K CA 1.022 57.303 56.287 -0.010 0.000 0.936 70 K CB -0.096 32.401 32.500 -0.006 0.000 0.722 70 K HN 0.276 nan 8.250 nan 0.000 0.446 71 L N -0.235 120.984 121.223 -0.007 0.000 2.478 71 L HA 0.018 4.359 4.340 0.001 0.000 0.223 71 L C 1.242 178.085 176.870 -0.044 0.000 1.140 71 L CA 0.552 55.387 54.840 -0.007 0.000 0.842 71 L CB -0.297 41.765 42.059 0.005 0.000 0.953 71 L HN 0.462 nan 8.230 nan 0.000 0.452 72 G N 0.097 108.875 108.800 -0.037 0.000 2.148 72 G HA2 -0.260 3.700 3.960 0.001 0.000 0.254 72 G HA3 -0.260 3.700 3.960 0.001 0.000 0.254 72 G C 0.317 175.186 174.900 -0.051 0.000 0.981 72 G CA 0.146 45.217 45.100 -0.049 0.000 0.670 72 G HN 0.120 nan 8.290 nan 0.000 0.528 73 V N 0.326 120.223 119.914 -0.028 0.000 2.655 73 V HA 0.181 4.301 4.120 0.001 0.000 0.300 73 V C 1.599 177.724 176.094 0.052 0.000 1.044 73 V CA 1.213 63.519 62.300 0.011 0.000 1.095 73 V CB 1.411 33.288 31.823 0.090 0.000 0.952 73 V HN 0.430 nan 8.190 nan 0.000 0.485 74 K N 2.855 123.298 120.400 0.072 0.000 2.352 74 K HA 0.420 4.741 4.320 0.001 0.000 0.194 74 K C 0.404 177.059 176.600 0.092 0.000 1.038 74 K CA 0.649 56.982 56.287 0.077 0.000 1.023 74 K CB 0.661 33.213 32.500 0.087 0.000 0.840 74 K HN 0.753 nan 8.250 nan 0.000 0.519 75 A N 0.699 123.567 122.820 0.081 0.000 2.475 75 A HA 0.513 4.833 4.320 0.001 0.000 0.301 75 A C -2.052 175.745 177.584 0.354 0.000 1.059 75 A CA -0.560 51.576 52.037 0.165 0.000 0.710 75 A CB 1.073 20.030 19.000 -0.071 0.000 1.288 75 A HN 0.156 nan 8.150 nan 0.000 0.408 76 Y N 1.760 122.258 120.300 0.331 0.000 2.332 76 Y HA 0.561 5.111 4.550 0.001 0.000 0.326 76 Y C -0.056 176.106 175.900 0.435 0.000 0.978 76 Y CA -0.926 57.389 58.100 0.358 0.000 1.205 76 Y CB 1.200 39.815 38.460 0.257 0.000 1.131 76 Y HN 0.776 nan 8.280 nan 0.000 0.462 77 R N 7.317 127.892 120.500 0.124 0.000 2.221 77 R HA 0.523 4.864 4.340 0.001 0.000 0.327 77 R C -1.649 174.393 176.300 -0.430 0.000 1.033 77 R CA -0.230 55.715 56.100 -0.258 0.000 0.887 77 R CB 0.223 30.186 30.300 -0.562 0.000 1.057 77 R HN 0.582 nan 8.270 nan 0.000 0.455 78 F N 0.916 120.514 119.950 -0.587 0.000 2.629 78 F HA 0.615 5.142 4.527 0.001 0.000 0.316 78 F C -0.984 174.686 175.800 -0.217 0.000 1.081 78 F CA -1.130 56.569 58.000 -0.501 0.000 0.954 78 F CB 1.380 39.962 39.000 -0.697 0.000 1.337 78 F HN 0.436 nan 8.300 nan 0.000 0.474 79 S N 1.378 117.096 115.700 0.030 0.000 2.664 79 S HA 0.790 5.260 4.470 0.001 0.000 0.304 79 S C -0.896 173.765 174.600 0.101 0.000 1.099 79 S CA -0.768 57.429 58.200 -0.005 0.000 1.003 79 S CB 1.509 64.776 63.200 0.111 0.000 1.092 79 S HN 0.723 nan 8.310 nan 0.000 0.525 80 I N 2.096 122.657 120.570 -0.014 0.000 2.359 80 I HA 0.283 4.454 4.170 0.001 0.000 0.294 80 I C 0.421 176.704 176.117 0.276 0.000 0.987 80 I CA -0.505 60.701 61.300 -0.156 0.000 1.225 80 I CB 1.901 39.741 38.000 -0.267 0.000 1.366 80 I HN 0.771 nan 8.210 nan 0.000 0.466 81 S N 6.639 122.601 115.700 0.437 0.000 2.414 81 S HA -0.019 4.452 4.470 0.001 0.000 0.290 81 S C 0.914 175.817 174.600 0.504 0.000 1.160 81 S CA -0.362 58.145 58.200 0.512 0.000 1.069 81 S CB 0.109 63.629 63.200 0.533 0.000 1.012 81 S HN 0.697 nan 8.310 nan 0.000 0.510 82 W N 7.423 128.840 121.300 0.195 0.000 2.302 82 W HA -0.068 4.592 4.660 0.001 0.000 0.320 82 W C -1.370 175.103 176.519 -0.078 0.000 1.241 82 W CA 1.516 58.717 57.345 -0.240 0.000 1.264 82 W CB -1.718 27.494 29.460 -0.412 0.000 1.154 82 W HN 0.628 nan 8.180 nan 0.000 0.483 83 P HA -0.081 nan 4.420 nan 0.000 0.237 83 P C 1.351 178.761 177.300 0.183 0.000 1.178 83 P CA 1.286 64.470 63.100 0.139 0.000 0.766 83 P CB -0.304 31.433 31.700 0.061 0.000 0.876 84 R N -0.654 120.012 120.500 0.278 0.000 2.148 84 R HA 0.022 4.362 4.340 0.001 0.000 0.223 84 R C 1.831 178.316 176.300 0.307 0.000 1.088 84 R CA 0.841 57.112 56.100 0.285 0.000 0.985 84 R CB -0.241 30.307 30.300 0.414 0.000 0.880 84 R HN 0.223 nan 8.270 nan 0.000 0.451 85 I N -0.080 120.699 120.570 0.348 0.000 2.729 85 I HA 0.031 4.202 4.170 0.001 0.000 0.256 85 I C 0.498 176.764 176.117 0.248 0.000 1.115 85 I CA 0.752 62.254 61.300 0.337 0.000 1.446 85 I CB -0.197 38.060 38.000 0.428 0.000 1.176 85 I HN -0.025 nan 8.210 nan 0.000 0.446 86 L N 1.620 122.998 121.223 0.258 0.000 2.401 86 L HA 0.336 4.676 4.340 0.001 0.000 0.263 86 L C -1.831 175.099 176.870 0.101 0.000 1.004 86 L CA -1.026 53.925 54.840 0.185 0.000 0.881 86 L CB 1.503 43.712 42.059 0.250 0.000 1.219 86 L HN -0.153 nan 8.230 nan 0.000 0.441 87 P HA -0.144 nan 4.420 nan 0.000 0.219 87 P C 0.555 177.826 177.300 -0.048 0.000 1.146 87 P CA 1.167 64.275 63.100 0.015 0.000 0.808 87 P CB 0.320 32.030 31.700 0.018 0.000 0.779 88 E N -1.772 118.388 120.200 -0.067 0.000 2.465 88 E HA 0.218 4.569 4.350 0.001 0.000 0.195 88 E C 1.583 178.041 176.600 -0.236 0.000 1.028 88 E CA 0.542 56.860 56.400 -0.137 0.000 0.899 88 E CB -0.317 29.316 29.700 -0.113 0.000 1.032 88 E HN 0.201 nan 8.360 nan 0.000 0.468 89 G N 1.790 110.455 108.800 -0.225 0.000 2.498 89 G HA2 -0.330 3.631 3.960 0.001 0.000 0.229 89 G HA3 -0.330 3.631 3.960 0.001 0.000 0.229 89 G C 0.738 175.654 174.900 0.027 0.000 1.156 89 G CA 0.804 45.701 45.100 -0.338 0.000 0.680 89 G HN 0.515 nan 8.290 nan 0.000 0.512 90 T N -2.758 111.748 114.554 -0.081 0.000 2.887 90 T HA 0.837 5.188 4.350 0.001 0.000 0.292 90 T C 1.236 175.938 174.700 0.002 0.000 1.087 90 T CA 0.850 62.961 62.100 0.017 0.000 1.009 90 T CB 1.970 70.806 68.868 -0.053 0.000 1.203 90 T HN 2.342 nan 8.240 nan 0.000 0.518 91 G N 1.652 110.472 108.800 0.034 0.000 2.728 91 G HA2 -0.238 3.723 3.960 0.001 0.000 0.269 91 G HA3 -0.238 3.723 3.960 0.001 0.000 0.269 91 G C -0.013 174.906 174.900 0.031 0.000 1.334 91 G CA -0.001 45.111 45.100 0.019 0.000 0.974 91 G HN 1.015 nan 8.290 nan 0.000 0.550 92 R N 0.514 121.027 120.500 0.022 0.000 2.522 92 R HA 0.402 4.742 4.340 0.001 0.000 0.284 92 R C -0.131 176.201 176.300 0.054 0.000 1.032 92 R CA 0.081 56.199 56.100 0.030 0.000 1.049 92 R CB 0.230 30.542 30.300 0.020 0.000 0.956 92 R HN 0.436 nan 8.270 nan 0.000 0.422 93 V N 5.024 124.971 119.914 0.056 0.000 2.394 93 V HA 0.092 4.213 4.120 0.001 0.000 0.282 93 V C 0.015 176.156 176.094 0.078 0.000 1.031 93 V CA -0.749 61.596 62.300 0.075 0.000 0.881 93 V CB 1.345 33.202 31.823 0.057 0.000 0.982 93 V HN 0.742 nan 8.190 nan 0.000 0.451 94 N N 3.520 122.284 118.700 0.107 0.000 2.437 94 N HA 0.126 4.866 4.740 0.001 0.000 0.243 94 N C 0.811 176.398 175.510 0.128 0.000 1.041 94 N CA -0.132 52.984 53.050 0.109 0.000 0.940 94 N CB 1.412 39.972 38.487 0.122 0.000 1.133 94 N HN 0.635 nan 8.380 nan 0.000 0.506 95 Q N 3.467 123.327 119.800 0.100 0.000 2.170 95 Q HA -0.075 4.265 4.340 0.001 0.000 0.203 95 Q C 0.958 177.037 176.000 0.131 0.000 0.976 95 Q CA 1.767 57.633 55.803 0.105 0.000 0.858 95 Q CB 0.147 28.930 28.738 0.075 0.000 0.907 95 Q HN 0.597 nan 8.270 nan 0.000 0.433 96 K N -1.306 119.169 120.400 0.125 0.000 2.211 96 K HA -0.049 4.271 4.320 0.001 0.000 0.203 96 K C 1.886 178.603 176.600 0.195 0.000 1.050 96 K CA 0.979 57.347 56.287 0.136 0.000 0.945 96 K CB -0.250 32.319 32.500 0.115 0.000 0.732 96 K HN 0.373 nan 8.250 nan 0.000 0.451 97 G N 1.361 110.302 108.800 0.235 0.000 2.394 97 G HA2 -0.185 3.775 3.960 0.001 0.000 0.214 97 G HA3 -0.185 3.775 3.960 0.001 0.000 0.214 97 G C 1.483 176.661 174.900 0.463 0.000 1.176 97 G CA 0.295 45.602 45.100 0.345 0.000 0.786 97 G HN 0.064 nan 8.290 nan 0.000 0.533 98 L N 0.630 122.093 121.223 0.401 0.000 2.012 98 L HA -0.108 4.232 4.340 0.001 0.000 0.210 98 L C 2.588 179.709 176.870 0.418 0.000 1.073 98 L CA 1.337 56.467 54.840 0.483 0.000 0.748 98 L CB -0.455 41.756 42.059 0.252 0.000 0.891 98 L HN 0.098 nan 8.230 nan 0.000 0.431 99 D N -0.219 120.322 120.400 0.236 0.000 2.116 99 D HA -0.252 4.389 4.640 0.001 0.000 0.193 99 D C 1.881 178.177 176.300 -0.007 0.000 0.998 99 D CA 1.333 55.402 54.000 0.115 0.000 0.836 99 D CB -0.329 40.518 40.800 0.079 0.000 0.951 99 D HN 0.217 nan 8.370 nan 0.000 0.449 100 F N 0.692 120.534 119.950 -0.180 0.000 2.095 100 F HA -0.285 4.242 4.527 0.001 0.000 0.298 100 F C 2.039 177.477 175.800 -0.603 0.000 1.104 100 F CA 1.471 59.161 58.000 -0.515 0.000 1.232 100 F CB -0.658 38.007 39.000 -0.560 0.000 0.987 100 F HN -0.029 nan 8.300 nan 0.000 0.475 101 Y N 0.083 120.218 120.300 -0.276 0.000 2.337 101 Y HA -0.096 4.454 4.550 0.001 0.000 0.293 101 Y C 2.446 178.063 175.900 -0.471 0.000 1.123 101 Y CA 1.103 58.923 58.100 -0.467 0.000 1.201 101 Y CB -1.190 37.125 38.460 -0.242 0.000 1.011 101 Y HN 0.072 nan 8.280 nan 0.000 0.545 102 N N 0.525 119.194 118.700 -0.052 0.000 2.094 102 N HA -0.178 4.562 4.740 0.001 0.000 0.191 102 N C 1.840 177.250 175.510 -0.167 0.000 1.023 102 N CA 1.374 54.430 53.050 0.010 0.000 0.857 102 N CB -0.271 38.325 38.487 0.183 0.000 1.013 102 N HN 0.380 nan 8.380 nan 0.000 0.426 103 R N 0.335 120.624 120.500 -0.352 0.000 2.075 103 R HA 0.035 4.375 4.340 0.001 0.000 0.232 103 R C 2.351 178.329 176.300 -0.536 0.000 1.126 103 R CA 0.760 56.574 56.100 -0.477 0.000 0.963 103 R CB -0.296 29.521 30.300 -0.806 0.000 0.858 103 R HN 0.262 nan 8.270 nan 0.000 0.435 104 I N 0.708 120.830 120.570 -0.747 0.000 2.142 104 I HA -0.310 3.860 4.170 0.001 0.000 0.240 104 I C 2.291 178.256 176.117 -0.253 0.000 1.078 104 I CA 1.483 62.473 61.300 -0.516 0.000 1.343 104 I CB -0.249 37.313 38.000 -0.730 0.000 1.046 104 I HN 0.116 nan 8.210 nan 0.000 0.405 105 I N 0.576 121.009 120.570 -0.228 0.000 2.163 105 I HA -0.325 3.845 4.170 0.001 0.000 0.243 105 I C 2.095 178.200 176.117 -0.019 0.000 1.085 105 I CA 1.477 62.730 61.300 -0.078 0.000 1.347 105 I CB -0.467 37.475 38.000 -0.096 0.000 1.044 105 I HN 0.237 nan 8.210 nan 0.000 0.408 106 D N 0.231 120.613 120.400 -0.030 0.000 2.117 106 D HA -0.135 4.505 4.640 0.001 0.000 0.197 106 D C 2.248 178.568 176.300 0.033 0.000 0.987 106 D CA 1.553 55.562 54.000 0.015 0.000 0.829 106 D CB -0.386 40.424 40.800 0.016 0.000 0.961 106 D HN 0.281 nan 8.370 nan 0.000 0.460 107 T N 1.249 115.827 114.554 0.040 0.000 2.708 107 T HA -0.078 4.272 4.350 0.001 0.000 0.266 107 T C 2.266 177.002 174.700 0.061 0.000 1.037 107 T CA 0.573 62.722 62.100 0.083 0.000 1.146 107 T CB -0.306 68.680 68.868 0.197 0.000 0.865 107 T HN 0.108 nan 8.240 nan 0.000 0.435 108 L N 0.300 121.557 121.223 0.056 0.000 2.012 108 L HA -0.111 4.230 4.340 0.001 0.000 0.210 108 L C 2.436 179.350 176.870 0.074 0.000 1.073 108 L CA 0.846 55.731 54.840 0.076 0.000 0.748 108 L CB -0.600 41.531 42.059 0.121 0.000 0.891 108 L HN 0.207 nan 8.230 nan 0.000 0.431 109 L N 0.173 121.435 121.223 0.065 0.000 2.046 109 L HA -0.218 4.123 4.340 0.001 0.000 0.208 109 L C 2.686 179.587 176.870 0.052 0.000 1.077 109 L CA 2.046 56.923 54.840 0.061 0.000 0.747 109 L CB -1.196 40.897 42.059 0.057 0.000 0.896 109 L HN 0.475 nan 8.230 nan 0.000 0.432 110 E N -0.408 119.820 120.200 0.046 0.000 2.204 110 E HA -0.240 4.111 4.350 0.001 0.000 0.195 110 E C 1.533 178.154 176.600 0.034 0.000 0.990 110 E CA 1.378 57.801 56.400 0.039 0.000 0.821 110 E CB -0.266 29.457 29.700 0.037 0.000 0.750 110 E HN 0.412 nan 8.360 nan 0.000 0.477 111 K N -0.059 120.363 120.400 0.037 0.000 2.374 111 K HA 0.148 4.469 4.320 0.001 0.000 0.196 111 K C 0.689 177.311 176.600 0.038 0.000 1.023 111 K CA 0.364 56.669 56.287 0.030 0.000 1.103 111 K CB 0.729 33.243 32.500 0.023 0.000 0.848 111 K HN 0.326 nan 8.250 nan 0.000 0.528 112 G N 2.215 111.044 108.800 0.048 0.000 2.176 112 G HA2 -0.261 3.699 3.960 0.001 0.000 0.252 112 G HA3 -0.261 3.699 3.960 0.001 0.000 0.252 112 G C -0.076 174.867 174.900 0.070 0.000 1.024 112 G CA -0.033 45.100 45.100 0.055 0.000 0.755 112 G HN 0.255 nan 8.290 nan 0.000 0.507 113 I N 0.940 121.561 120.570 0.086 0.000 2.377 113 I HA 0.330 4.501 4.170 0.001 0.000 0.293 113 I C 0.599 176.810 176.117 0.157 0.000 0.987 113 I CA -0.653 60.719 61.300 0.120 0.000 1.185 113 I CB 1.825 39.901 38.000 0.126 0.000 1.341 113 I HN -0.003 nan 8.210 nan 0.000 0.455 114 T N 7.975 122.642 114.554 0.187 0.000 2.761 114 T HA 0.235 4.586 4.350 0.001 0.000 0.296 114 T C -2.378 172.507 174.700 0.308 0.000 0.934 114 T CA -0.997 61.234 62.100 0.217 0.000 1.091 114 T CB 0.373 69.393 68.868 0.253 0.000 0.896 114 T HN 0.327 nan 8.240 nan 0.000 0.515 115 P HA 0.358 nan 4.420 nan 0.000 0.286 115 P C -1.010 176.324 177.300 0.056 0.000 1.269 115 P CA -0.559 62.683 63.100 0.236 0.000 0.787 115 P CB 0.437 32.245 31.700 0.180 0.000 0.920 116 F N 2.361 122.184 119.950 -0.212 0.000 2.375 116 F HA 0.241 4.769 4.527 0.001 0.000 0.361 116 F C 0.189 175.576 175.800 -0.689 0.000 1.117 116 F CA -0.740 57.008 58.000 -0.419 0.000 1.037 116 F CB 1.465 40.216 39.000 -0.415 0.000 1.192 116 F HN -0.004 nan 8.300 nan 0.000 0.452 117 V N 3.432 122.903 119.914 -0.738 0.000 2.383 117 V HA 0.289 4.409 4.120 0.001 0.000 0.275 117 V C 0.050 175.881 176.094 -0.437 0.000 1.036 117 V CA -0.610 61.141 62.300 -0.916 0.000 0.889 117 V CB 1.438 32.568 31.823 -1.156 0.000 0.985 117 V HN 0.692 nan 8.190 nan 0.000 0.459 118 T N 6.805 121.153 114.554 -0.344 0.000 2.723 118 T HA 0.378 4.728 4.350 0.001 0.000 0.297 118 T C 1.412 176.135 174.700 0.038 0.000 0.925 118 T CA -0.131 61.925 62.100 -0.073 0.000 1.030 118 T CB 0.741 69.617 68.868 0.013 0.000 0.905 118 T HN 0.422 nan 8.240 nan 0.000 0.502 119 I N 1.698 122.362 120.570 0.157 0.000 2.252 119 I HA -0.065 4.106 4.170 0.001 0.000 0.245 119 I C 0.417 176.834 176.117 0.502 0.000 1.102 119 I CA 1.213 62.629 61.300 0.193 0.000 1.385 119 I CB 0.081 38.116 38.000 0.058 0.000 1.064 119 I HN 0.549 nan 8.210 nan 0.000 0.414 120 Y N -0.061 120.492 120.300 0.421 0.000 2.327 120 Y HA 0.342 4.892 4.550 0.001 0.000 0.325 120 Y C -0.351 175.781 175.900 0.388 0.000 0.999 120 Y CA -0.991 57.441 58.100 0.553 0.000 1.195 120 Y CB 0.672 39.562 38.460 0.718 0.000 1.132 120 Y HN 0.017 nan 8.280 nan 0.000 0.455 121 H N 6.200 125.169 119.070 -0.167 0.000 2.534 121 H HA 0.218 4.774 4.556 0.001 0.000 0.250 121 H C -0.810 174.268 175.328 -0.417 0.000 1.256 121 H CA -0.055 55.769 56.048 -0.374 0.000 1.000 121 H CB 0.067 29.682 29.762 -0.245 0.000 1.801 121 H HN 0.834 nan 8.280 nan 0.000 0.569 122 W N -0.415 120.338 121.300 -0.911 0.000 0.880 122 W HA -0.206 4.454 4.660 0.001 0.000 0.231 122 W C -0.259 176.287 176.519 0.045 0.000 0.964 122 W CA 0.592 57.631 57.345 -0.509 0.000 0.361 122 W CB -1.990 27.260 29.460 -0.350 0.000 1.967 122 W HN 0.546 nan 8.180 nan 0.000 1.083 123 D N 1.726 122.309 120.400 0.305 0.000 2.845 123 D HA 0.379 5.019 4.640 0.001 0.000 0.235 123 D C 0.400 177.006 176.300 0.510 0.000 1.158 123 D CA -0.237 54.044 54.000 0.468 0.000 0.990 123 D CB -0.490 40.571 40.800 0.435 0.000 1.094 123 D HN 0.093 nan 8.370 nan 0.000 0.486 124 L N 1.058 122.655 121.223 0.623 0.000 2.525 124 L HA 0.179 4.519 4.340 0.001 0.000 0.278 124 L C -2.277 174.610 176.870 0.028 0.000 1.218 124 L CA -1.074 54.007 54.840 0.402 0.000 0.878 124 L CB 0.130 42.366 42.059 0.294 0.000 1.127 124 L HN 0.007 nan 8.230 nan 0.000 0.492 125 P HA -0.090 nan 4.420 nan 0.000 0.262 125 P C 0.147 177.338 177.300 -0.181 0.000 1.182 125 P CA 0.329 63.240 63.100 -0.315 0.000 0.761 125 P CB 0.210 31.515 31.700 -0.658 0.000 0.795 126 F N 5.012 124.863 119.950 -0.165 0.000 2.161 126 F HA -0.257 4.271 4.527 0.001 0.000 0.300 126 F C 2.104 177.796 175.800 -0.180 0.000 1.089 126 F CA 2.081 60.005 58.000 -0.126 0.000 1.282 126 F CB -0.745 38.219 39.000 -0.060 0.000 1.010 126 F HN 0.363 nan 8.300 nan 0.000 0.485 127 A N 0.253 122.940 122.820 -0.222 0.000 1.978 127 A HA -0.163 4.157 4.320 0.001 0.000 0.220 127 A C 2.287 179.579 177.584 -0.487 0.000 1.170 127 A CA 1.895 53.730 52.037 -0.336 0.000 0.636 127 A CB -1.074 17.773 19.000 -0.255 0.000 0.810 127 A HN 0.502 nan 8.150 nan 0.000 0.448 128 L N -1.518 119.369 121.223 -0.560 0.000 2.270 128 L HA -0.110 4.230 4.340 0.001 0.000 0.210 128 L C 2.696 179.303 176.870 -0.438 0.000 1.104 128 L CA 1.173 55.608 54.840 -0.676 0.000 0.804 128 L CB -0.374 41.199 42.059 -0.809 0.000 0.937 128 L HN 0.420 nan 8.230 nan 0.000 0.450 129 Q N 0.971 120.525 119.800 -0.411 0.000 2.124 129 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 129 Q C 2.126 177.915 176.000 -0.351 0.000 0.977 129 Q CA 1.609 57.220 55.803 -0.321 0.000 0.850 129 Q CB -0.309 28.249 28.738 -0.301 0.000 0.901 129 Q HN 0.468 nan 8.270 nan 0.000 0.429 130 L N -0.008 120.908 121.223 -0.512 0.000 2.191 130 L HA -0.144 4.197 4.340 0.001 0.000 0.212 130 L C 1.460 178.199 176.870 -0.218 0.000 1.103 130 L CA 0.998 55.605 54.840 -0.388 0.000 0.769 130 L CB -0.342 41.463 42.059 -0.423 0.000 0.908 130 L HN 0.080 nan 8.230 nan 0.000 0.438 131 K N 0.038 120.315 120.400 -0.204 0.000 2.410 131 K HA 0.251 4.571 4.320 0.001 0.000 0.200 131 K C 1.178 177.828 176.600 0.082 0.000 1.023 131 K CA 0.710 56.962 56.287 -0.057 0.000 1.149 131 K CB 0.784 33.222 32.500 -0.102 0.000 0.859 131 K HN 0.328 nan 8.250 nan 0.000 0.514 132 G N 0.514 109.319 108.800 0.009 0.000 2.213 132 G HA2 -0.277 3.684 3.960 0.001 0.000 0.226 132 G HA3 -0.277 3.684 3.960 0.001 0.000 0.226 132 G C 0.729 175.663 174.900 0.056 0.000 0.992 132 G CA 0.287 45.412 45.100 0.042 0.000 0.632 132 G HN 0.603 nan 8.290 nan 0.000 0.511 133 G N -0.260 108.569 108.800 0.049 0.000 2.634 133 G HA2 -0.357 3.604 3.960 0.001 0.000 0.309 133 G HA3 -0.357 3.604 3.960 0.001 0.000 0.309 133 G C 0.934 175.755 174.900 -0.131 0.000 1.265 133 G CA 1.207 46.265 45.100 -0.071 0.000 0.998 133 G HN 1.103 nan 8.290 nan 0.000 0.551 134 W N 1.313 122.651 121.300 0.063 0.000 2.611 134 W HA 0.328 4.988 4.660 0.001 0.000 0.251 134 W C 2.888 179.324 176.519 -0.140 0.000 1.265 134 W CA 1.159 58.458 57.345 -0.078 0.000 1.295 134 W CB -0.228 29.133 29.460 -0.165 0.000 1.129 134 W HN 0.719 nan 8.180 nan 0.000 0.630 135 A N -0.081 122.773 122.820 0.057 0.000 2.066 135 A HA -0.092 4.229 4.320 0.001 0.000 0.218 135 A C 1.112 178.700 177.584 0.006 0.000 1.157 135 A CA 0.646 52.693 52.037 0.016 0.000 0.670 135 A CB -0.450 18.570 19.000 0.034 0.000 0.804 135 A HN 0.106 nan 8.150 nan 0.000 0.453 136 N N 0.150 118.829 118.700 -0.035 0.000 2.419 136 N HA 0.169 4.909 4.740 0.001 0.000 0.264 136 N C 0.801 176.176 175.510 -0.225 0.000 1.031 136 N CA -0.275 52.711 53.050 -0.107 0.000 0.951 136 N CB 0.664 39.099 38.487 -0.087 0.000 1.101 136 N HN 0.267 nan 8.380 nan 0.000 0.488 137 R N 1.751 122.161 120.500 -0.149 0.000 2.139 137 R HA -0.107 4.234 4.340 0.001 0.000 0.243 137 R C 0.775 176.888 176.300 -0.312 0.000 1.145 137 R CA 1.055 57.067 56.100 -0.147 0.000 0.976 137 R CB 0.167 30.430 30.300 -0.061 0.000 0.866 137 R HN 0.628 nan 8.270 nan 0.000 0.449 138 E N 0.736 120.641 120.200 -0.491 0.000 2.331 138 E HA -0.188 4.163 4.350 0.001 0.000 0.199 138 E C 1.777 177.498 176.600 -1.465 0.000 1.008 138 E CA 0.610 56.529 56.400 -0.802 0.000 0.843 138 E CB -0.193 29.101 29.700 -0.677 0.000 0.761 138 E HN 0.423 nan 8.360 nan 0.000 0.507 139 I N 0.634 120.397 120.570 -1.346 0.000 2.454 139 I HA -0.271 3.899 4.170 0.001 0.000 0.254 139 I C 2.111 178.068 176.117 -0.266 0.000 1.156 139 I CA 0.971 61.724 61.300 -0.911 0.000 1.433 139 I CB 0.017 37.683 38.000 -0.557 0.000 1.082 139 I HN 0.001 nan 8.210 nan 0.000 0.432 140 A N 0.347 123.048 122.820 -0.199 0.000 1.908 140 A HA -0.268 4.053 4.320 0.001 0.000 0.218 140 A C 1.990 179.593 177.584 0.033 0.000 1.181 140 A CA 2.238 54.275 52.037 -0.000 0.000 0.627 140 A CB -0.709 18.275 19.000 -0.027 0.000 0.818 140 A HN 0.491 nan 8.150 nan 0.000 0.445 141 D N -1.002 119.340 120.400 -0.097 0.000 2.097 141 D HA -0.154 4.486 4.640 0.001 0.000 0.197 141 D C 1.873 178.288 176.300 0.192 0.000 0.984 141 D CA 1.170 55.176 54.000 0.010 0.000 0.826 141 D CB -0.376 40.409 40.800 -0.024 0.000 0.973 141 D HN 0.687 nan 8.370 nan 0.000 0.460 142 W N 0.933 122.326 121.300 0.155 0.000 2.335 142 W HA -0.130 4.530 4.660 0.001 0.000 0.311 142 W C 2.297 179.020 176.519 0.340 0.000 1.213 142 W CA -0.049 57.444 57.345 0.245 0.000 1.274 142 W CB -1.660 27.950 29.460 0.251 0.000 1.148 142 W HN -0.040 nan 8.180 nan 0.000 0.498 143 F N 1.271 121.447 119.950 0.377 0.000 2.186 143 F HA -0.047 4.480 4.527 0.001 0.000 0.299 143 F C 2.383 178.170 175.800 -0.022 0.000 1.090 143 F CA 2.057 60.127 58.000 0.117 0.000 1.307 143 F CB -0.733 38.365 39.000 0.163 0.000 1.019 143 F HN -0.154 nan 8.300 nan 0.000 0.489 144 A N -0.010 122.854 122.820 0.073 0.000 1.902 144 A HA -0.213 4.107 4.320 0.001 0.000 0.217 144 A C 2.114 179.604 177.584 -0.157 0.000 1.181 144 A CA 1.967 53.958 52.037 -0.076 0.000 0.623 144 A CB -0.831 18.184 19.000 0.025 0.000 0.818 144 A HN 0.535 nan 8.150 nan 0.000 0.443 145 E N -1.692 118.491 120.200 -0.027 0.000 2.072 145 E HA -0.181 4.170 4.350 0.001 0.000 0.191 145 E C 1.921 178.459 176.600 -0.103 0.000 0.985 145 E CA 1.330 57.720 56.400 -0.018 0.000 0.801 145 E CB -0.331 29.433 29.700 0.107 0.000 0.750 145 E HN 0.765 nan 8.360 nan 0.000 0.452 146 Y N 1.791 121.905 120.300 -0.310 0.000 2.114 146 Y HA -0.230 4.321 4.550 0.001 0.000 0.284 146 Y C 2.321 177.792 175.900 -0.716 0.000 1.143 146 Y CA 1.589 59.364 58.100 -0.541 0.000 1.135 146 Y CB -0.641 37.173 38.460 -1.076 0.000 0.980 146 Y HN -0.121 nan 8.280 nan 0.000 0.499 147 S N 0.903 115.892 115.700 -1.185 0.000 2.370 147 S HA -0.268 4.203 4.470 0.001 0.000 0.226 147 S C 2.014 175.708 174.600 -1.510 0.000 1.033 147 S CA 1.783 59.036 58.200 -1.579 0.000 1.011 147 S CB -0.483 61.886 63.200 -1.385 0.000 0.852 147 S HN 0.679 nan 8.310 nan 0.000 0.457 148 R N 1.221 121.251 120.500 -0.783 0.000 2.120 148 R HA -0.013 4.327 4.340 0.001 0.000 0.234 148 R C 1.870 177.955 176.300 -0.359 0.000 1.123 148 R CA 1.326 57.171 56.100 -0.424 0.000 0.975 148 R CB -0.797 29.401 30.300 -0.169 0.000 0.866 148 R HN 0.221 nan 8.270 nan 0.000 0.446 149 V N 1.831 121.536 119.914 -0.350 0.000 2.295 149 V HA -0.235 3.886 4.120 0.001 0.000 0.246 149 V C 2.510 178.398 176.094 -0.344 0.000 1.049 149 V CA 1.849 63.997 62.300 -0.253 0.000 1.024 149 V CB -0.463 31.282 31.823 -0.130 0.000 0.648 149 V HN 0.332 nan 8.190 nan 0.000 0.447 150 L N -1.330 119.600 121.223 -0.488 0.000 2.017 150 L HA -0.155 4.186 4.340 0.001 0.000 0.208 150 L C 2.543 179.315 176.870 -0.164 0.000 1.073 150 L CA 1.593 56.233 54.840 -0.334 0.000 0.745 150 L CB -0.746 41.114 42.059 -0.331 0.000 0.894 150 L HN 0.257 nan 8.230 nan 0.000 0.432 151 F N 0.749 120.463 119.950 -0.392 0.000 2.102 151 F HA -0.189 4.338 4.527 0.001 0.000 0.298 151 F C 2.572 178.263 175.800 -0.181 0.000 1.105 151 F CA 1.037 58.806 58.000 -0.386 0.000 1.239 151 F CB -1.020 37.711 39.000 -0.448 0.000 0.991 151 F HN 0.135 nan 8.300 nan 0.000 0.474 152 E N -0.210 119.975 120.200 -0.025 0.000 2.106 152 E HA -0.156 4.194 4.350 0.001 0.000 0.192 152 E C 1.941 178.499 176.600 -0.070 0.000 0.984 152 E CA 1.038 57.409 56.400 -0.048 0.000 0.806 152 E CB -0.214 29.441 29.700 -0.075 0.000 0.750 152 E HN 0.409 nan 8.360 nan 0.000 0.458 153 N N -0.462 118.119 118.700 -0.199 0.000 2.333 153 N HA -0.028 4.713 4.740 0.001 0.000 0.178 153 N C 0.890 176.313 175.510 -0.145 0.000 1.018 153 N CA 0.897 53.757 53.050 -0.318 0.000 0.882 153 N CB 0.242 38.293 38.487 -0.727 0.000 0.984 153 N HN 0.126 nan 8.380 nan 0.000 0.434 154 F N -0.602 119.496 119.950 0.247 0.000 2.746 154 F HA 0.368 4.895 4.527 0.001 0.000 0.313 154 F C 2.210 178.244 175.800 0.390 0.000 1.095 154 F CA -0.544 57.641 58.000 0.309 0.000 1.224 154 F CB -0.623 38.604 39.000 0.378 0.000 1.060 154 F HN -0.122 nan 8.300 nan 0.000 0.584 155 G N 0.710 109.843 108.800 0.555 0.000 2.559 155 G HA2 -0.204 3.756 3.960 0.001 0.000 0.216 155 G HA3 -0.204 3.756 3.960 0.001 0.000 0.216 155 G C 1.370 176.431 174.900 0.269 0.000 1.126 155 G CA 1.076 46.467 45.100 0.485 0.000 0.778 155 G HN 0.424 nan 8.290 nan 0.000 0.543 156 D N 0.423 120.947 120.400 0.207 0.000 2.219 156 D HA -0.067 4.574 4.640 0.001 0.000 0.205 156 D C 2.169 178.554 176.300 0.141 0.000 0.970 156 D CA 0.631 54.712 54.000 0.134 0.000 0.851 156 D CB -0.136 40.728 40.800 0.106 0.000 0.943 156 D HN 0.363 nan 8.370 nan 0.000 0.488 157 R N -0.265 120.347 120.500 0.187 0.000 2.243 157 R HA 0.245 4.585 4.340 0.001 0.000 0.193 157 R C 0.275 176.640 176.300 0.108 0.000 0.933 157 R CA -0.065 56.118 56.100 0.137 0.000 1.105 157 R CB 0.984 31.363 30.300 0.133 0.000 1.169 157 R HN -0.062 nan 8.270 nan 0.000 0.599 158 V N 2.908 122.904 119.914 0.136 0.000 2.432 158 V HA 0.132 4.252 4.120 0.001 0.000 0.271 158 V C 0.516 176.672 176.094 0.103 0.000 1.046 158 V CA 0.178 62.446 62.300 -0.054 0.000 0.945 158 V CB 1.529 33.111 31.823 -0.402 0.000 0.992 158 V HN 0.176 nan 8.190 nan 0.000 0.471 159 K N 2.723 123.105 120.400 -0.030 0.000 2.402 159 K HA 0.310 4.631 4.320 0.001 0.000 0.204 159 K C -0.115 176.503 176.600 0.030 0.000 1.056 159 K CA -0.007 56.354 56.287 0.124 0.000 1.069 159 K CB 0.540 33.083 32.500 0.071 0.000 0.888 159 K HN 0.525 nan 8.250 nan 0.000 0.546 160 N N 0.318 118.795 118.700 -0.371 0.000 2.504 160 N HA 0.213 4.953 4.740 0.001 0.000 0.280 160 N C -1.334 173.778 175.510 -0.664 0.000 1.052 160 N CA -0.309 52.365 53.050 -0.626 0.000 0.887 160 N CB 1.128 38.653 38.487 -1.602 0.000 1.323 160 N HN -0.084 nan 8.380 nan 0.000 0.509 161 W N 2.038 123.187 121.300 -0.252 0.000 2.761 161 W HA 0.619 5.280 4.660 0.001 0.000 0.340 161 W C -0.102 176.353 176.519 -0.106 0.000 1.072 161 W CA -0.531 56.693 57.345 -0.201 0.000 1.215 161 W CB 1.421 30.709 29.460 -0.288 0.000 1.420 161 W HN 0.197 nan 8.180 nan 0.000 0.519 162 I N 2.188 122.845 120.570 0.146 0.000 2.436 162 I HA 0.179 4.349 4.170 0.001 0.000 0.289 162 I C 1.260 177.439 176.117 0.104 0.000 1.010 162 I CA -0.431 60.900 61.300 0.052 0.000 1.098 162 I CB 2.233 40.251 38.000 0.031 0.000 1.266 162 I HN 0.650 nan 8.210 nan 0.000 0.434 163 T N 4.533 119.148 114.554 0.101 0.000 2.668 163 T HA 0.104 4.454 4.350 0.001 0.000 0.262 163 T C 0.568 175.454 174.700 0.310 0.000 1.045 163 T CA 0.838 63.112 62.100 0.290 0.000 1.152 163 T CB -0.060 69.041 68.868 0.389 0.000 0.864 163 T HN 0.343 nan 8.240 nan 0.000 0.419 164 L N 1.508 122.776 121.223 0.074 0.000 2.386 164 L HA 0.532 4.872 4.340 0.001 0.000 0.271 164 L C -0.814 175.979 176.870 -0.127 0.000 0.993 164 L CA -1.080 53.766 54.840 0.010 0.000 0.819 164 L CB 1.839 43.780 42.059 -0.196 0.000 1.294 164 L HN 0.097 nan 8.230 nan 0.000 0.414 165 N N 2.467 121.116 118.700 -0.084 0.000 2.406 165 N HA 0.130 4.871 4.740 0.001 0.000 0.251 165 N C -0.647 174.830 175.510 -0.055 0.000 1.069 165 N CA 0.014 52.915 53.050 -0.248 0.000 0.947 165 N CB 0.344 38.374 38.487 -0.760 0.000 1.111 165 N HN 0.586 nan 8.380 nan 0.000 0.497 166 E N 1.953 122.075 120.200 -0.129 0.000 2.240 166 E HA -0.165 4.186 4.350 0.001 0.000 0.194 166 E C -1.796 174.753 176.600 -0.085 0.000 1.385 166 E CA 0.072 56.470 56.400 -0.004 0.000 0.686 166 E CB -0.569 29.239 29.700 0.181 0.000 1.125 166 E HN 0.672 nan 8.360 nan 0.000 0.359 167 P HA -0.208 nan 4.420 nan 0.000 0.221 167 P C 1.275 178.462 177.300 -0.188 0.000 1.145 167 P CA 1.132 63.968 63.100 -0.440 0.000 0.795 167 P CB -0.058 31.153 31.700 -0.814 0.000 0.775 168 W N 1.138 122.346 121.300 -0.153 0.000 2.355 168 W HA -0.187 4.473 4.660 0.001 0.000 0.309 168 W C 2.033 178.387 176.519 -0.275 0.000 1.206 168 W CA 1.412 58.720 57.345 -0.063 0.000 1.284 168 W CB -0.844 28.587 29.460 -0.048 0.000 1.145 168 W HN -0.305 nan 8.180 nan 0.000 0.502 169 V N 0.150 120.043 119.914 -0.036 0.000 2.295 169 V HA -0.325 3.795 4.120 0.001 0.000 0.246 169 V C 2.140 177.853 176.094 -0.636 0.000 1.049 169 V CA 1.855 63.949 62.300 -0.342 0.000 1.024 169 V CB -1.391 30.298 31.823 -0.223 0.000 0.648 169 V HN 0.137 nan 8.190 nan 0.000 0.447 170 V N 0.420 119.965 119.914 -0.615 0.000 2.282 170 V HA -0.324 3.797 4.120 0.001 0.000 0.249 170 V C 2.678 178.554 176.094 -0.365 0.000 1.057 170 V CA 2.397 64.360 62.300 -0.561 0.000 1.032 170 V CB -1.211 30.313 31.823 -0.498 0.000 0.645 170 V HN 0.573 nan 8.190 nan 0.000 0.447 171 A N -0.138 122.416 122.820 -0.444 0.000 1.840 171 A HA -0.092 4.228 4.320 0.001 0.000 0.214 171 A C 2.104 179.374 177.584 -0.524 0.000 1.198 171 A CA 1.777 53.551 52.037 -0.437 0.000 0.608 171 A CB -0.428 18.280 19.000 -0.486 0.000 0.839 171 A HN 0.392 nan 8.150 nan 0.000 0.443 172 I N -0.227 119.782 120.570 -0.934 0.000 2.339 172 I HA -0.079 4.092 4.170 0.001 0.000 0.245 172 I C 2.447 177.891 176.117 -1.122 0.000 1.096 172 I CA 0.970 61.559 61.300 -1.185 0.000 1.408 172 I CB -1.298 35.539 38.000 -1.938 0.000 1.092 172 I HN 0.111 nan 8.210 nan 0.000 0.423 173 V N 1.241 120.539 119.914 -1.027 0.000 2.548 173 V HA -0.063 4.058 4.120 0.001 0.000 0.249 173 V C 2.551 178.351 176.094 -0.491 0.000 1.055 173 V CA 1.790 63.661 62.300 -0.715 0.000 1.065 173 V CB -1.223 30.187 31.823 -0.688 0.000 0.681 173 V HN 0.488 nan 8.190 nan 0.000 0.462 174 G N -1.212 107.305 108.800 -0.471 0.000 2.494 174 G HA2 -0.129 3.831 3.960 0.001 0.000 0.216 174 G HA3 -0.129 3.831 3.960 0.001 0.000 0.216 174 G C 1.146 175.722 174.900 -0.540 0.000 1.140 174 G CA 0.559 45.369 45.100 -0.482 0.000 0.801 174 G HN 0.662 nan 8.290 nan 0.000 0.536 175 H N -2.114 116.768 119.070 -0.313 0.000 3.170 175 H HA 0.354 4.910 4.556 0.001 0.000 0.264 175 H C 1.473 176.677 175.328 -0.207 0.000 1.113 175 H CA -0.258 55.660 56.048 -0.218 0.000 1.194 175 H CB 0.859 30.505 29.762 -0.194 0.000 1.553 175 H HN 0.244 nan 8.280 nan 0.000 0.538 176 L N -1.019 120.092 121.223 -0.186 0.000 2.519 176 L HA 0.140 4.481 4.340 0.001 0.000 0.194 176 L C 1.049 177.948 176.870 0.047 0.000 1.072 176 L CA 1.079 55.842 54.840 -0.129 0.000 0.845 176 L CB -0.303 41.598 42.059 -0.264 0.000 1.138 176 L HN 0.033 nan 8.230 nan 0.000 0.487 177 Y N 0.964 121.184 120.300 -0.134 0.000 2.395 177 Y HA 0.356 4.906 4.550 0.001 0.000 0.293 177 Y C 2.049 177.907 175.900 -0.071 0.000 1.123 177 Y CA 0.153 58.198 58.100 -0.091 0.000 1.227 177 Y CB -1.041 37.348 38.460 -0.118 0.000 1.012 177 Y HN 0.337 nan 8.280 nan 0.000 0.552 178 G N -0.483 108.336 108.800 0.032 0.000 2.153 178 G HA2 -0.291 3.669 3.960 0.001 0.000 0.252 178 G HA3 -0.291 3.669 3.960 0.001 0.000 0.252 178 G C 1.063 176.018 174.900 0.092 0.000 0.994 178 G CA 0.600 45.707 45.100 0.012 0.000 0.698 178 G HN 0.295 nan 8.290 nan 0.000 0.521 179 V N -0.500 119.457 119.914 0.072 0.000 3.052 179 V HA 0.152 4.273 4.120 0.001 0.000 0.254 179 V C 1.302 177.564 176.094 0.279 0.000 1.100 179 V CA 1.541 63.952 62.300 0.185 0.000 1.112 179 V CB -0.220 31.667 31.823 0.107 0.000 0.738 179 V HN 0.659 nan 8.190 nan 0.000 0.469 180 H N -1.332 117.611 119.070 -0.211 0.000 2.710 180 H HA 0.662 5.219 4.556 0.001 0.000 0.361 180 H C 0.289 174.752 175.328 -1.442 0.000 1.175 180 H CA -0.655 55.049 56.048 -0.574 0.000 1.206 180 H CB 1.542 31.126 29.762 -0.297 0.000 1.750 180 H HN 0.320 nan 8.280 nan 0.000 0.553 181 A N 2.223 123.770 122.820 -2.122 0.000 2.561 181 A HA 0.021 4.341 4.320 0.001 0.000 0.234 181 A C -1.617 175.470 177.584 -0.829 0.000 1.055 181 A CA -0.825 50.186 52.037 -1.710 0.000 0.756 181 A CB -0.167 17.825 19.000 -1.680 0.000 0.986 181 A HN 0.607 nan 8.150 nan 0.000 0.505 182 P HA 0.113 nan 4.420 nan 0.000 0.255 182 P C 0.709 177.828 177.300 -0.301 0.000 1.301 182 P CA 0.934 63.779 63.100 -0.426 0.000 0.817 182 P CB -0.073 31.479 31.700 -0.247 0.000 1.259 183 G N 0.244 108.780 108.800 -0.439 0.000 2.248 183 G HA2 -0.249 3.711 3.960 0.001 0.000 0.263 183 G HA3 -0.249 3.711 3.960 0.001 0.000 0.263 183 G C -0.081 174.803 174.900 -0.025 0.000 1.082 183 G CA -0.139 44.928 45.100 -0.054 0.000 0.863 183 G HN 0.267 nan 8.290 nan 0.000 0.495 184 M N -0.963 118.555 119.600 -0.136 0.000 2.528 184 M HA 0.606 5.087 4.480 0.001 0.000 0.318 184 M C 0.836 177.120 176.300 -0.028 0.000 1.195 184 M CA -0.576 54.689 55.300 -0.057 0.000 1.000 184 M CB 1.713 34.285 32.600 -0.047 0.000 1.615 184 M HN 0.091 nan 8.290 nan 0.000 0.469 185 R N 1.404 121.909 120.500 0.008 0.000 2.585 185 R HA 0.270 4.610 4.340 0.001 0.000 0.278 185 R C -1.491 174.823 176.300 0.023 0.000 1.663 185 R CA -0.320 55.793 56.100 0.022 0.000 1.592 185 R CB 0.544 30.867 30.300 0.038 0.000 1.200 185 R HN 0.534 nan 8.270 nan 0.000 0.611 186 D N 2.527 122.938 120.400 0.018 0.000 2.616 186 D HA 0.087 4.728 4.640 0.001 0.000 0.238 186 D C 0.397 176.697 176.300 0.000 0.000 1.354 186 D CA -0.446 53.573 54.000 0.032 0.000 0.970 186 D CB 1.583 42.414 40.800 0.053 0.000 1.369 186 D HN 0.316 nan 8.370 nan 0.000 0.585 187 I N 3.681 124.215 120.570 -0.060 0.000 2.394 187 I HA -0.239 3.932 4.170 0.001 0.000 0.251 187 I C 1.077 177.055 176.117 -0.232 0.000 1.136 187 I CA 1.102 62.251 61.300 -0.252 0.000 1.425 187 I CB 0.148 37.794 38.000 -0.590 0.000 1.079 187 I HN 0.421 nan 8.210 nan 0.000 0.425 188 Y N -0.352 119.851 120.300 -0.162 0.000 2.220 188 Y HA -0.182 4.368 4.550 0.001 0.000 0.291 188 Y C 2.443 178.346 175.900 0.006 0.000 1.129 188 Y CA 1.475 59.569 58.100 -0.011 0.000 1.161 188 Y CB -0.851 37.619 38.460 0.016 0.000 0.997 188 Y HN -0.058 nan 8.280 nan 0.000 0.522 189 V N -0.129 119.868 119.914 0.138 0.000 2.295 189 V HA -0.349 3.771 4.120 0.001 0.000 0.246 189 V C 2.523 178.569 176.094 -0.080 0.000 1.049 189 V CA 1.774 64.100 62.300 0.043 0.000 1.024 189 V CB -1.410 30.450 31.823 0.061 0.000 0.648 189 V HN 0.464 nan 8.190 nan 0.000 0.447 190 A N -0.556 122.190 122.820 -0.124 0.000 1.908 190 A HA -0.206 4.114 4.320 0.001 0.000 0.218 190 A C 2.016 179.346 177.584 -0.424 0.000 1.181 190 A CA 1.982 53.827 52.037 -0.320 0.000 0.627 190 A CB -0.717 18.050 19.000 -0.389 0.000 0.818 190 A HN 0.492 nan 8.150 nan 0.000 0.445 191 F N -0.483 119.368 119.950 -0.166 0.000 2.367 191 F HA 0.028 4.556 4.527 0.001 0.000 0.298 191 F C 2.464 178.206 175.800 -0.097 0.000 1.094 191 F CA 1.079 58.988 58.000 -0.152 0.000 1.409 191 F CB -0.142 38.750 39.000 -0.179 0.000 1.064 191 F HN 0.094 nan 8.300 nan 0.000 0.528 192 R N -0.116 120.428 120.500 0.073 0.000 2.115 192 R HA -0.092 4.249 4.340 0.001 0.000 0.230 192 R C 2.424 178.750 176.300 0.044 0.000 1.111 192 R CA 1.089 57.237 56.100 0.081 0.000 0.976 192 R CB -0.595 29.751 30.300 0.076 0.000 0.870 192 R HN 0.254 nan 8.270 nan 0.000 0.445 193 A N 0.672 123.430 122.820 -0.104 0.000 1.873 193 A HA -0.106 4.215 4.320 0.001 0.000 0.215 193 A C 2.314 179.836 177.584 -0.105 0.000 1.186 193 A CA 1.274 53.212 52.037 -0.164 0.000 0.616 193 A CB -0.598 18.093 19.000 -0.514 0.000 0.823 193 A HN 0.094 nan 8.150 nan 0.000 0.442 194 V N -0.227 119.614 119.914 -0.122 0.000 2.231 194 V HA -0.372 3.748 4.120 0.001 0.000 0.250 194 V C 2.518 178.727 176.094 0.192 0.000 1.058 194 V CA 2.787 65.103 62.300 0.026 0.000 1.022 194 V CB -1.075 30.704 31.823 -0.074 0.000 0.640 194 V HN 0.831 nan 8.190 nan 0.000 0.445 195 H N 0.483 119.624 119.070 0.117 0.000 2.353 195 H HA -0.095 4.461 4.556 0.001 0.000 0.300 195 H C 2.216 177.637 175.328 0.155 0.000 1.090 195 H CA 1.993 58.165 56.048 0.208 0.000 1.327 195 H CB -0.115 29.766 29.762 0.198 0.000 1.383 195 H HN 0.365 nan 8.280 nan 0.000 0.508 196 N N 0.031 118.805 118.700 0.124 0.000 2.270 196 N HA -0.094 4.647 4.740 0.001 0.000 0.181 196 N C 2.053 177.619 175.510 0.094 0.000 1.016 196 N CA 0.765 53.867 53.050 0.086 0.000 0.870 196 N CB -0.185 38.389 38.487 0.145 0.000 0.979 196 N HN 0.361 nan 8.380 nan 0.000 0.431 197 L N 0.618 121.850 121.223 0.015 0.000 2.012 197 L HA -0.141 4.200 4.340 0.001 0.000 0.210 197 L C 2.232 179.068 176.870 -0.057 0.000 1.073 197 L CA 0.934 55.650 54.840 -0.206 0.000 0.748 197 L CB -0.431 41.408 42.059 -0.367 0.000 0.891 197 L HN 0.114 nan 8.230 nan 0.000 0.431 198 L N -0.820 120.445 121.223 0.069 0.000 2.017 198 L HA -0.227 4.114 4.340 0.001 0.000 0.208 198 L C 2.848 179.753 176.870 0.059 0.000 1.073 198 L CA 1.371 56.274 54.840 0.106 0.000 0.745 198 L CB -0.419 41.699 42.059 0.098 0.000 0.894 198 L HN 0.183 nan 8.230 nan 0.000 0.432 199 R N -0.388 120.088 120.500 -0.041 0.000 2.081 199 R HA -0.145 4.195 4.340 0.001 0.000 0.235 199 R C 2.402 178.725 176.300 0.038 0.000 1.131 199 R CA 1.351 57.429 56.100 -0.036 0.000 0.960 199 R CB -0.534 29.715 30.300 -0.085 0.000 0.856 199 R HN 0.370 nan 8.270 nan 0.000 0.436 200 A N 0.630 123.493 122.820 0.072 0.000 1.873 200 A HA -0.236 4.084 4.320 0.001 0.000 0.215 200 A C 1.977 179.682 177.584 0.203 0.000 1.186 200 A CA 1.832 53.960 52.037 0.152 0.000 0.616 200 A CB -0.820 18.253 19.000 0.121 0.000 0.823 200 A HN 0.522 nan 8.150 nan 0.000 0.442 201 H N 0.200 119.263 119.070 -0.012 0.000 2.319 201 H HA -0.082 4.474 4.556 0.001 0.000 0.297 201 H C 2.022 177.398 175.328 0.080 0.000 1.097 201 H CA 2.500 58.576 56.048 0.045 0.000 1.285 201 H CB -0.333 29.393 29.762 -0.060 0.000 1.368 201 H HN 0.367 nan 8.280 nan 0.000 0.495 202 A N 1.057 123.796 122.820 -0.135 0.000 1.930 202 A HA -0.117 4.203 4.320 0.001 0.000 0.217 202 A C 2.433 179.951 177.584 -0.111 0.000 1.175 202 A CA 1.311 53.232 52.037 -0.193 0.000 0.627 202 A CB -0.367 18.614 19.000 -0.030 0.000 0.815 202 A HN 0.379 nan 8.150 nan 0.000 0.443 203 R N -0.341 120.153 120.500 -0.010 0.000 2.096 203 R HA -0.079 4.261 4.340 0.001 0.000 0.235 203 R C 2.421 178.737 176.300 0.027 0.000 1.127 203 R CA 1.389 57.502 56.100 0.022 0.000 0.968 203 R CB -0.963 29.375 30.300 0.064 0.000 0.861 203 R HN 0.534 nan 8.270 nan 0.000 0.440 204 A N 0.572 123.431 122.820 0.065 0.000 1.898 204 A HA -0.099 4.222 4.320 0.001 0.000 0.216 204 A C 2.463 180.083 177.584 0.059 0.000 1.181 204 A CA 1.447 53.519 52.037 0.058 0.000 0.620 204 A CB -0.583 18.477 19.000 0.099 0.000 0.819 204 A HN 0.097 nan 8.150 nan 0.000 0.442 205 V N 0.307 120.151 119.914 -0.116 0.000 2.332 205 V HA -0.310 3.810 4.120 0.001 0.000 0.248 205 V C 2.530 178.607 176.094 -0.028 0.000 1.055 205 V CA 2.489 64.705 62.300 -0.140 0.000 1.038 205 V CB -0.727 30.926 31.823 -0.283 0.000 0.651 205 V HN 0.690 nan 8.190 nan 0.000 0.450 206 K N -0.103 120.273 120.400 -0.039 0.000 2.032 206 K HA -0.188 4.132 4.320 0.001 0.000 0.209 206 K C 2.028 178.625 176.600 -0.006 0.000 1.048 206 K CA 1.859 58.133 56.287 -0.022 0.000 0.927 206 K CB -0.277 32.209 32.500 -0.023 0.000 0.712 206 K HN 0.321 nan 8.250 nan 0.000 0.441 207 V N 0.888 120.823 119.914 0.035 0.000 2.407 207 V HA -0.217 3.904 4.120 0.001 0.000 0.248 207 V C 2.004 178.110 176.094 0.021 0.000 1.055 207 V CA 1.769 64.103 62.300 0.057 0.000 1.049 207 V CB -0.607 31.279 31.823 0.106 0.000 0.662 207 V HN 0.331 nan 8.190 nan 0.000 0.455 208 F N 1.660 121.473 119.950 -0.228 0.000 2.091 208 F HA -0.207 4.321 4.527 0.001 0.000 0.299 208 F C 2.583 178.120 175.800 -0.439 0.000 1.103 208 F CA 1.708 59.273 58.000 -0.724 0.000 1.228 208 F CB -0.254 38.225 39.000 -0.868 0.000 0.984 208 F HN 0.022 nan 8.300 nan 0.000 0.477 209 R N 0.799 121.173 120.500 -0.210 0.000 2.159 209 R HA -0.154 4.186 4.340 0.001 0.000 0.237 209 R C 1.880 178.039 176.300 -0.235 0.000 1.131 209 R CA 1.636 57.601 56.100 -0.225 0.000 0.982 209 R CB -1.143 29.104 30.300 -0.089 0.000 0.868 209 R HN 0.521 nan 8.270 nan 0.000 0.453 210 E N -0.649 119.435 120.200 -0.193 0.000 2.318 210 E HA 0.000 4.351 4.350 0.001 0.000 0.193 210 E C 0.926 177.418 176.600 -0.181 0.000 0.998 210 E CA 1.040 57.351 56.400 -0.148 0.000 0.859 210 E CB 0.307 29.954 29.700 -0.088 0.000 0.812 210 E HN 0.274 nan 8.360 nan 0.000 0.492 211 T N -0.387 114.003 114.554 -0.273 0.000 3.026 211 T HA 0.105 4.455 4.350 0.001 0.000 0.245 211 T C 0.670 175.152 174.700 -0.363 0.000 1.004 211 T CA 0.065 62.015 62.100 -0.250 0.000 1.069 211 T CB 0.816 69.597 68.868 -0.146 0.000 1.005 211 T HN -0.143 nan 8.240 nan 0.000 0.472 212 V N 3.026 122.536 119.914 -0.674 0.000 2.320 212 V HA 0.304 4.424 4.120 0.001 0.000 0.257 212 V C 0.628 176.293 176.094 -0.716 0.000 0.996 212 V CA -0.701 61.162 62.300 -0.729 0.000 0.928 212 V CB 0.790 31.962 31.823 -1.084 0.000 1.169 212 V HN 0.300 nan 8.190 nan 0.000 0.475 213 K N 0.569 120.730 120.400 -0.398 0.000 2.442 213 K HA -0.153 4.167 4.320 0.001 0.000 0.198 213 K C 1.207 177.690 176.600 -0.195 0.000 1.044 213 K CA 1.473 57.594 56.287 -0.277 0.000 0.948 213 K CB 0.254 32.651 32.500 -0.172 0.000 0.762 213 K HN 0.587 nan 8.250 nan 0.000 0.472 214 D N -0.205 120.089 120.400 -0.177 0.000 2.389 214 D HA 0.045 4.685 4.640 0.001 0.000 0.206 214 D C 0.622 176.918 176.300 -0.007 0.000 1.055 214 D CA 0.058 54.016 54.000 -0.070 0.000 0.856 214 D CB 0.493 41.271 40.800 -0.037 0.000 0.957 214 D HN 0.169 nan 8.370 nan 0.000 0.509 215 G N -0.531 108.259 108.800 -0.017 0.000 2.642 215 G HA2 0.529 4.489 3.960 0.001 0.000 0.291 215 G HA3 0.529 4.489 3.960 0.001 0.000 0.291 215 G C -0.777 174.371 174.900 0.413 0.000 1.345 215 G CA -0.631 44.615 45.100 0.243 0.000 1.043 215 G HN 0.017 nan 8.290 nan 0.000 0.528 216 K N -0.723 119.945 120.400 0.447 0.000 2.371 216 K HA 0.604 4.924 4.320 0.001 0.000 0.251 216 K C -1.432 175.260 176.600 0.154 0.000 0.934 216 K CA -0.542 55.947 56.287 0.337 0.000 0.798 216 K CB 2.883 35.560 32.500 0.295 0.000 1.204 216 K HN 0.363 nan 8.250 nan 0.000 0.427 217 I N 0.777 121.295 120.570 -0.087 0.000 2.686 217 I HA 0.615 4.785 4.170 0.001 0.000 0.295 217 I C -0.642 175.129 176.117 -0.577 0.000 1.114 217 I CA -0.210 60.835 61.300 -0.425 0.000 1.038 217 I CB 1.956 39.317 38.000 -1.064 0.000 1.238 217 I HN 0.796 nan 8.210 nan 0.000 0.420 218 G N 6.224 114.449 108.800 -0.958 0.000 2.947 218 G HA2 0.665 4.626 3.960 0.001 0.000 0.293 218 G HA3 0.665 4.626 3.960 0.001 0.000 0.293 218 G C -1.896 172.645 174.900 -0.599 0.000 1.243 218 G CA -0.563 43.835 45.100 -1.171 0.000 0.802 218 G HN 0.707 nan 8.290 nan 0.000 0.560 219 I N -0.998 119.222 120.570 -0.584 0.000 2.842 219 I HA 0.614 4.784 4.170 0.001 0.000 0.297 219 I C -1.601 174.076 176.117 -0.734 0.000 1.380 219 I CA -0.866 60.103 61.300 -0.553 0.000 1.018 219 I CB 2.237 39.838 38.000 -0.666 0.000 1.311 219 I HN 0.392 nan 8.210 nan 0.000 0.439 220 V N 6.498 125.945 119.914 -0.779 0.000 2.495 220 V HA 0.565 4.685 4.120 0.001 0.000 0.298 220 V C -1.029 174.572 176.094 -0.821 0.000 1.031 220 V CA -0.332 61.597 62.300 -0.619 0.000 0.871 220 V CB 1.671 33.327 31.823 -0.280 0.000 0.988 220 V HN 0.460 nan 8.190 nan 0.000 0.432 221 F N 3.627 123.578 119.950 0.002 0.000 2.532 221 F HA 0.503 5.031 4.527 0.001 0.000 0.321 221 F C 0.533 176.382 175.800 0.081 0.000 1.089 221 F CA -1.236 56.775 58.000 0.018 0.000 0.926 221 F CB 1.385 40.450 39.000 0.109 0.000 1.168 221 F HN 0.557 nan 8.300 nan 0.000 0.459 222 N N 2.402 121.247 118.700 0.241 0.000 2.482 222 N HA 0.250 4.991 4.740 0.001 0.000 0.260 222 N C -1.170 174.442 175.510 0.171 0.000 1.236 222 N CA -0.208 52.942 53.050 0.166 0.000 0.938 222 N CB 0.946 39.477 38.487 0.073 0.000 1.128 222 N HN 0.646 nan 8.380 nan 0.000 0.448 223 N N -0.811 118.000 118.700 0.185 0.000 2.367 223 N HA 0.402 5.143 4.740 0.001 0.000 0.278 223 N C -0.977 174.637 175.510 0.173 0.000 1.117 223 N CA -0.668 52.523 53.050 0.236 0.000 0.867 223 N CB 2.305 41.056 38.487 0.440 0.000 1.649 223 N HN 0.761 nan 8.380 nan 0.000 0.479 224 G N -0.108 108.708 108.800 0.027 0.000 2.537 224 G HA2 0.425 4.386 3.960 0.001 0.000 0.308 224 G HA3 0.425 4.386 3.960 0.001 0.000 0.308 224 G C -1.823 172.893 174.900 -0.307 0.000 1.237 224 G CA -0.248 44.696 45.100 -0.261 0.000 0.968 224 G HN 0.411 nan 8.290 nan 0.000 0.481 225 Y N 1.521 121.633 120.300 -0.313 0.000 2.504 225 Y HA 0.608 5.159 4.550 0.001 0.000 0.339 225 Y C -1.157 174.449 175.900 -0.490 0.000 0.974 225 Y CA -2.411 55.488 58.100 -0.334 0.000 1.232 225 Y CB -0.028 38.403 38.460 -0.049 0.000 1.108 225 Y HN 0.231 nan 8.280 nan 0.000 0.509 226 F N 4.068 123.910 119.950 -0.181 0.000 2.410 226 F HA 0.439 4.966 4.527 0.001 0.000 0.349 226 F C 0.280 175.808 175.800 -0.453 0.000 1.117 226 F CA -0.629 57.256 58.000 -0.191 0.000 1.104 226 F CB 0.982 39.980 39.000 -0.003 0.000 1.122 226 F HN 0.363 nan 8.300 nan 0.000 0.483 227 E N 4.519 124.588 120.200 -0.217 0.000 2.227 227 E HA 0.379 4.729 4.350 0.001 0.000 0.268 227 E C -2.560 174.013 176.600 -0.044 0.000 0.907 227 E CA -2.350 53.899 56.400 -0.251 0.000 0.786 227 E CB 2.057 31.535 29.700 -0.370 0.000 1.191 227 E HN 0.213 nan 8.360 nan 0.000 0.411 228 P HA 0.077 nan 4.420 nan 0.000 0.279 228 P C -0.380 176.935 177.300 0.024 0.000 1.239 228 P CA -0.122 62.991 63.100 0.022 0.000 0.789 228 P CB 1.222 32.938 31.700 0.025 0.000 0.933 229 A N 2.152 124.999 122.820 0.045 0.000 2.255 229 A HA 0.229 4.549 4.320 0.001 0.000 0.206 229 A C 0.828 178.434 177.584 0.037 0.000 1.193 229 A CA 1.184 53.249 52.037 0.046 0.000 0.794 229 A CB -0.951 18.085 19.000 0.059 0.000 0.794 229 A HN 0.797 nan 8.150 nan 0.000 0.481 230 S N -2.292 113.427 115.700 0.031 0.000 2.711 230 S HA 0.240 4.711 4.470 0.001 0.000 0.282 230 S C -1.015 173.600 174.600 0.025 0.000 1.196 230 S CA -0.601 57.615 58.200 0.028 0.000 1.192 230 S CB 0.183 63.401 63.200 0.030 0.000 1.254 230 S HN 0.294 nan 8.310 nan 0.000 0.439 237 R N 1.892 122.427 120.500 0.058 0.000 2.153 237 R HA 0.164 4.504 4.340 0.001 0.000 0.218 237 R C 2.088 178.457 176.300 0.114 0.000 1.072 237 R CA 1.348 57.493 56.100 0.075 0.000 0.990 237 R CB 0.047 30.367 30.300 0.033 0.000 0.889 237 R HN 0.368 nan 8.270 nan 0.000 0.452 238 A N 0.349 123.235 122.820 0.109 0.000 1.933 238 A HA -0.087 4.234 4.320 0.001 0.000 0.218 238 A C 2.133 179.777 177.584 0.100 0.000 1.175 238 A CA 1.336 53.443 52.037 0.117 0.000 0.628 238 A CB -0.361 18.700 19.000 0.102 0.000 0.814 238 A HN 0.205 nan 8.150 nan 0.000 0.444 239 V N -0.077 119.888 119.914 0.085 0.000 2.358 239 V HA -0.238 3.882 4.120 0.001 0.000 0.246 239 V C 2.608 178.776 176.094 0.122 0.000 1.047 239 V CA 2.119 64.467 62.300 0.080 0.000 1.035 239 V CB -0.765 31.110 31.823 0.088 0.000 0.658 239 V HN 0.533 nan 8.190 nan 0.000 0.452 240 R N -0.834 119.757 120.500 0.151 0.000 2.096 240 R HA -0.181 4.159 4.340 0.001 0.000 0.235 240 R C 2.240 178.649 176.300 0.182 0.000 1.127 240 R CA 1.969 58.183 56.100 0.190 0.000 0.968 240 R CB -0.524 29.874 30.300 0.163 0.000 0.861 240 R HN 0.547 nan 8.270 nan 0.000 0.440 241 F N 1.153 121.114 119.950 0.019 0.000 2.146 241 F HA -0.170 4.357 4.527 0.001 0.000 0.298 241 F C 2.137 177.906 175.800 -0.051 0.000 1.096 241 F CA 1.364 59.350 58.000 -0.024 0.000 1.275 241 F CB -0.025 38.922 39.000 -0.089 0.000 1.008 241 F HN -0.130 nan 8.300 nan 0.000 0.480 242 M N -0.315 119.126 119.600 -0.265 0.000 2.132 242 M HA -0.189 4.291 4.480 0.001 0.000 0.263 242 M C 2.287 178.307 176.300 -0.467 0.000 1.065 242 M CA 1.846 56.758 55.300 -0.646 0.000 1.122 242 M CB -1.829 30.065 32.600 -1.177 0.000 1.365 242 M HN 0.353 nan 8.290 nan 0.000 0.411 243 H N 0.605 119.571 119.070 -0.173 0.000 2.293 243 H HA -0.116 4.441 4.556 0.001 0.000 0.300 243 H C 1.977 177.243 175.328 -0.102 0.000 1.082 243 H CA 2.198 58.283 56.048 0.062 0.000 1.308 243 H CB -0.084 29.824 29.762 0.243 0.000 1.375 243 H HN 0.439 nan 8.280 nan 0.000 0.495 244 Q N -1.524 118.149 119.800 -0.211 0.000 2.170 244 Q HA -0.117 4.223 4.340 0.001 0.000 0.203 244 Q C 1.742 177.603 176.000 -0.232 0.000 0.976 244 Q CA 1.380 57.041 55.803 -0.236 0.000 0.858 244 Q CB -0.057 28.651 28.738 -0.050 0.000 0.907 244 Q HN 0.467 nan 8.270 nan 0.000 0.433 245 F N 0.367 119.996 119.950 -0.535 0.000 2.274 245 F HA 0.085 4.612 4.527 0.001 0.000 0.288 245 F C 1.664 177.224 175.800 -0.401 0.000 1.069 245 F CA 1.067 58.784 58.000 -0.472 0.000 1.343 245 F CB -0.137 38.327 39.000 -0.893 0.000 1.089 245 F HN -0.108 nan 8.300 nan 0.000 0.517 246 N N -0.786 117.456 118.700 -0.764 0.000 2.395 246 N HA -0.025 4.716 4.740 0.001 0.000 0.175 246 N C 0.068 175.161 175.510 -0.695 0.000 1.029 246 N CA 0.036 52.375 53.050 -1.186 0.000 0.897 246 N CB 0.097 38.124 38.487 -0.766 0.000 0.991 246 N HN 0.110 nan 8.380 nan 0.000 0.441 247 N N -0.647 117.814 118.700 -0.398 0.000 2.604 247 N HA 0.043 4.783 4.740 0.001 0.000 0.297 247 N C 0.598 175.877 175.510 -0.384 0.000 1.266 247 N CA -0.381 52.496 53.050 -0.288 0.000 0.961 247 N CB -0.069 38.280 38.487 -0.231 0.000 1.166 247 N HN 0.093 nan 8.380 nan 0.000 0.601 248 Y N -0.893 119.315 120.300 -0.153 0.000 2.228 248 Y HA -0.005 4.545 4.550 0.001 0.000 0.285 248 Y C -1.223 174.404 175.900 -0.454 0.000 1.178 248 Y CA 0.932 58.747 58.100 -0.475 0.000 1.202 248 Y CB -2.231 36.058 38.460 -0.285 0.000 0.974 248 Y HN 0.443 nan 8.280 nan 0.000 0.527 249 P HA -0.194 nan 4.420 nan 0.000 0.218 249 P C 1.857 179.045 177.300 -0.188 0.000 1.148 249 P CA 1.377 64.362 63.100 -0.191 0.000 0.822 249 P CB -0.113 31.452 31.700 -0.225 0.000 0.784 250 L N -1.874 119.194 121.223 -0.259 0.000 2.129 250 L HA -0.163 4.177 4.340 0.001 0.000 0.212 250 L C 1.707 178.266 176.870 -0.519 0.000 1.087 250 L CA 2.063 56.718 54.840 -0.309 0.000 0.757 250 L CB -1.008 40.811 42.059 -0.400 0.000 0.896 250 L HN -0.103 nan 8.230 nan 0.000 0.434 251 F N -2.297 117.526 119.950 -0.211 0.000 2.602 251 F HA 0.158 4.685 4.527 0.001 0.000 0.284 251 F C 2.011 177.639 175.800 -0.287 0.000 1.111 251 F CA 0.219 58.089 58.000 -0.217 0.000 1.405 251 F CB -0.265 38.596 39.000 -0.231 0.000 1.121 251 F HN -0.155 nan 8.300 nan 0.000 0.603 252 L N -0.245 120.806 121.223 -0.287 0.000 2.240 252 L HA -0.101 4.240 4.340 0.001 0.000 0.211 252 L C 1.909 178.510 176.870 -0.449 0.000 1.106 252 L CA 0.835 55.432 54.840 -0.405 0.000 0.793 252 L CB -0.562 41.103 42.059 -0.656 0.000 0.927 252 L HN 0.164 nan 8.230 nan 0.000 0.446 253 N N 0.107 118.647 118.700 -0.267 0.000 2.058 253 N HA -0.137 4.603 4.740 0.001 0.000 0.191 253 N C -0.923 174.574 175.510 -0.022 0.000 1.037 253 N CA 1.539 54.606 53.050 0.030 0.000 0.848 253 N CB -0.614 37.962 38.487 0.149 0.000 1.021 253 N HN 0.064 nan 8.380 nan 0.000 0.422 254 P HA -0.112 nan 4.420 nan 0.000 0.215 254 P C 1.171 178.409 177.300 -0.103 0.000 1.157 254 P CA 1.175 64.165 63.100 -0.183 0.000 0.868 254 P CB 0.057 31.561 31.700 -0.328 0.000 0.788 255 I N -2.875 117.617 120.570 -0.128 0.000 2.179 255 I HA -0.262 3.909 4.170 0.001 0.000 0.242 255 I C 2.082 178.052 176.117 -0.245 0.000 1.088 255 I CA 1.674 62.853 61.300 -0.201 0.000 1.357 255 I CB -0.502 37.325 38.000 -0.290 0.000 1.051 255 I HN -0.057 nan 8.210 nan 0.000 0.409 256 Y N -0.053 120.231 120.300 -0.026 0.000 2.476 256 Y HA 0.103 4.654 4.550 0.001 0.000 0.283 256 Y C 2.187 178.143 175.900 0.093 0.000 1.109 256 Y CA 0.639 58.774 58.100 0.058 0.000 1.246 256 Y CB 0.122 38.665 38.460 0.139 0.000 1.068 256 Y HN -0.041 nan 8.280 nan 0.000 0.552 257 R N -1.398 119.237 120.500 0.225 0.000 2.487 257 R HA 0.284 4.624 4.340 0.001 0.000 0.272 257 R C 1.050 177.404 176.300 0.090 0.000 0.928 257 R CA 0.579 56.782 56.100 0.172 0.000 1.077 257 R CB 0.892 31.322 30.300 0.216 0.000 1.265 257 R HN 0.251 nan 8.270 nan 0.000 0.537 258 G N 1.874 110.699 108.800 0.042 0.000 2.143 258 G HA2 -0.255 3.705 3.960 0.001 0.000 0.248 258 G HA3 -0.255 3.705 3.960 0.001 0.000 0.248 258 G C -0.442 174.464 174.900 0.010 0.000 0.991 258 G CA 0.617 45.724 45.100 0.011 0.000 0.689 258 G HN 0.378 nan 8.290 nan 0.000 0.522 259 D N -2.015 118.385 120.400 -0.001 0.000 2.622 259 D HA 0.492 5.133 4.640 0.001 0.000 0.255 259 D C -0.209 176.058 176.300 -0.056 0.000 1.246 259 D CA -0.680 53.338 54.000 0.029 0.000 0.795 259 D CB 0.547 41.424 40.800 0.128 0.000 1.369 259 D HN -0.038 nan 8.370 nan 0.000 0.425 260 Y N 0.548 120.922 120.300 0.122 0.000 2.426 260 Y HA 0.271 4.821 4.550 0.001 0.000 0.344 260 Y C -1.368 174.561 175.900 0.049 0.000 1.256 260 Y CA -0.902 57.212 58.100 0.024 0.000 1.451 260 Y CB -0.136 38.283 38.460 -0.067 0.000 1.342 260 Y HN 0.114 nan 8.280 nan 0.000 0.600 261 P HA -0.052 nan 4.420 nan 0.000 0.269 261 P C 0.645 178.031 177.300 0.144 0.000 1.209 261 P CA 0.042 63.235 63.100 0.155 0.000 0.776 261 P CB 0.622 32.390 31.700 0.114 0.000 0.876 262 E N 2.124 122.398 120.200 0.124 0.000 2.049 262 E HA -0.202 4.148 4.350 0.001 0.000 0.198 262 E C 1.332 177.998 176.600 0.109 0.000 1.007 262 E CA 1.473 57.936 56.400 0.105 0.000 0.809 262 E CB -0.291 29.463 29.700 0.090 0.000 0.749 262 E HN 0.369 nan 8.360 nan 0.000 0.450 263 L N 0.494 121.803 121.223 0.143 0.000 2.291 263 L HA -0.097 4.243 4.340 0.001 0.000 0.214 263 L C 2.542 179.584 176.870 0.286 0.000 1.120 263 L CA 0.221 55.187 54.840 0.210 0.000 0.799 263 L CB -0.160 42.072 42.059 0.287 0.000 0.925 263 L HN 0.108 nan 8.230 nan 0.000 0.446 264 V N 0.375 120.411 119.914 0.204 0.000 2.295 264 V HA -0.281 3.839 4.120 0.001 0.000 0.246 264 V C 2.434 178.544 176.094 0.027 0.000 1.049 264 V CA 1.605 64.009 62.300 0.173 0.000 1.024 264 V CB -0.302 31.602 31.823 0.136 0.000 0.648 264 V HN 0.343 nan 8.190 nan 0.000 0.447 265 L N -0.456 120.767 121.223 -0.001 0.000 2.079 265 L HA -0.220 4.121 4.340 0.001 0.000 0.210 265 L C 2.576 179.380 176.870 -0.109 0.000 1.081 265 L CA 1.651 56.439 54.840 -0.088 0.000 0.752 265 L CB -0.598 41.465 42.059 0.006 0.000 0.896 265 L HN 0.407 nan 8.230 nan 0.000 0.433 266 E N -0.365 119.821 120.200 -0.024 0.000 2.038 266 E HA -0.275 4.076 4.350 0.001 0.000 0.195 266 E C 2.023 178.571 176.600 -0.088 0.000 1.000 266 E CA 1.711 58.086 56.400 -0.043 0.000 0.803 266 E CB -0.154 29.552 29.700 0.010 0.000 0.750 266 E HN 0.400 nan 8.360 nan 0.000 0.448 267 F N 0.185 120.012 119.950 -0.204 0.000 2.206 267 F HA -0.001 4.526 4.527 0.001 0.000 0.298 267 F C 1.667 177.215 175.800 -0.420 0.000 1.090 267 F CA 1.540 59.372 58.000 -0.279 0.000 1.323 267 F CB 0.116 38.984 39.000 -0.220 0.000 1.028 267 F HN -0.070 nan 8.300 nan 0.000 0.492 268 A N -0.762 121.631 122.820 -0.712 0.000 2.551 268 A HA 0.275 4.595 4.320 0.001 0.000 0.252 268 A C 1.731 178.693 177.584 -1.038 0.000 1.199 268 A CA 0.112 51.435 52.037 -1.191 0.000 0.972 268 A CB -0.397 17.697 19.000 -1.510 0.000 1.153 268 A HN 0.251 nan 8.150 nan 0.000 0.559 269 R N 1.190 121.267 120.500 -0.705 0.000 2.103 269 R HA -0.142 4.199 4.340 0.001 0.000 0.242 269 R C 1.657 177.634 176.300 -0.538 0.000 1.142 269 R CA 2.139 57.930 56.100 -0.516 0.000 0.960 269 R CB -0.305 29.814 30.300 -0.302 0.000 0.858 269 R HN 0.421 nan 8.270 nan 0.000 0.439 270 E N -0.694 119.069 120.200 -0.728 0.000 2.338 270 E HA -0.161 4.190 4.350 0.001 0.000 0.197 270 E C 0.839 177.097 176.600 -0.570 0.000 1.007 270 E CA 0.871 56.908 56.400 -0.605 0.000 0.849 270 E CB 0.032 29.338 29.700 -0.655 0.000 0.774 270 E HN 0.480 nan 8.360 nan 0.000 0.506 271 Y N -0.623 119.296 120.300 -0.635 0.000 2.510 271 Y HA 0.209 4.759 4.550 0.001 0.000 0.273 271 Y C 1.176 176.873 175.900 -0.339 0.000 1.119 271 Y CA -0.146 57.526 58.100 -0.714 0.000 1.286 271 Y CB -0.054 37.881 38.460 -0.875 0.000 1.061 271 Y HN -0.134 nan 8.280 nan 0.000 0.542 272 L N 1.685 122.750 121.223 -0.263 0.000 2.439 272 L HA 0.268 4.608 4.340 0.001 0.000 0.261 272 L C -2.029 174.794 176.870 -0.078 0.000 1.153 272 L CA -2.013 52.696 54.840 -0.220 0.000 0.808 272 L CB 0.293 42.051 42.059 -0.502 0.000 1.126 272 L HN -0.141 nan 8.230 nan 0.000 0.460 273 P HA -0.051 nan 4.420 nan 0.000 0.267 273 P C 0.111 177.453 177.300 0.070 0.000 1.200 273 P CA -0.036 63.076 63.100 0.019 0.000 0.772 273 P CB 0.610 32.310 31.700 0.000 0.000 0.855 274 E N 2.777 123.011 120.200 0.057 0.000 2.085 274 E HA -0.223 4.127 4.350 0.001 0.000 0.194 274 E C 0.175 176.800 176.600 0.042 0.000 0.994 274 E CA 1.869 58.299 56.400 0.051 0.000 0.801 274 E CB -0.702 29.012 29.700 0.024 0.000 0.743 274 E HN 0.432 nan 8.360 nan 0.000 0.453 275 N N -0.115 118.597 118.700 0.020 0.000 2.453 275 N HA 0.099 4.840 4.740 0.001 0.000 0.270 275 N C -0.105 175.370 175.510 -0.057 0.000 1.195 275 N CA 0.077 53.104 53.050 -0.039 0.000 0.902 275 N CB 0.124 38.599 38.487 -0.021 0.000 1.186 275 N HN 0.319 nan 8.380 nan 0.000 0.510 276 Y N 0.020 120.278 120.300 -0.070 0.000 2.274 276 Y HA -0.038 4.512 4.550 0.001 0.000 0.290 276 Y C 1.877 177.814 175.900 0.061 0.000 1.145 276 Y CA 1.004 59.018 58.100 -0.143 0.000 1.203 276 Y CB -0.114 38.128 38.460 -0.364 0.000 0.984 276 Y HN -0.135 nan 8.280 nan 0.000 0.533 277 K N 0.703 120.593 120.400 -0.851 0.000 2.209 277 K HA -0.157 4.164 4.320 0.001 0.000 0.204 277 K C 1.359 177.865 176.600 -0.156 0.000 1.048 277 K CA 1.582 57.556 56.287 -0.521 0.000 0.940 277 K CB -0.258 31.930 32.500 -0.521 0.000 0.729 277 K HN 0.370 nan 8.250 nan 0.000 0.451 278 D N 0.843 121.184 120.400 -0.099 0.000 2.265 278 D HA -0.160 4.481 4.640 0.001 0.000 0.208 278 D C 0.790 177.108 176.300 0.030 0.000 0.977 278 D CA 1.093 55.079 54.000 -0.022 0.000 0.871 278 D CB -0.057 40.741 40.800 -0.003 0.000 0.925 278 D HN 0.275 nan 8.370 nan 0.000 0.485 279 D N -0.742 119.718 120.400 0.099 0.000 2.350 279 D HA 0.028 4.668 4.640 0.001 0.000 0.213 279 D C 1.919 178.258 176.300 0.065 0.000 1.031 279 D CA -0.014 54.051 54.000 0.109 0.000 0.861 279 D CB 0.207 41.125 40.800 0.198 0.000 0.926 279 D HN 0.149 nan 8.370 nan 0.000 0.520 280 M N 0.881 120.517 119.600 0.060 0.000 2.229 280 M HA -0.094 4.386 4.480 0.001 0.000 0.264 280 M C 2.315 178.617 176.300 0.003 0.000 1.063 280 M CA 0.821 56.138 55.300 0.029 0.000 1.114 280 M CB -0.727 31.884 32.600 0.019 0.000 1.387 280 M HN -0.004 nan 8.290 nan 0.000 0.420 281 S N 0.124 115.825 115.700 0.002 0.000 2.368 281 S HA -0.158 4.313 4.470 0.001 0.000 0.225 281 S C 1.700 176.297 174.600 -0.005 0.000 1.030 281 S CA 1.341 59.540 58.200 -0.002 0.000 0.999 281 S CB -0.500 62.699 63.200 -0.002 0.000 0.844 281 S HN 0.525 nan 8.310 nan 0.000 0.459 282 E N 1.089 121.287 120.200 -0.004 0.000 2.152 282 E HA 0.084 4.434 4.350 0.001 0.000 0.192 282 E C 1.938 178.530 176.600 -0.014 0.000 0.983 282 E CA 1.086 57.480 56.400 -0.009 0.000 0.818 282 E CB -0.349 29.348 29.700 -0.006 0.000 0.758 282 E HN 0.581 nan 8.360 nan 0.000 0.467 283 I N 1.332 121.895 120.570 -0.011 0.000 2.454 283 I HA -0.270 3.901 4.170 0.001 0.000 0.254 283 I C 1.813 177.923 176.117 -0.011 0.000 1.156 283 I CA 1.080 62.377 61.300 -0.005 0.000 1.433 283 I CB -0.170 37.815 38.000 -0.025 0.000 1.082 283 I HN 0.110 nan 8.210 nan 0.000 0.432 284 Q N 0.695 120.479 119.800 -0.027 0.000 2.466 284 Q HA -0.076 4.264 4.340 0.001 0.000 0.210 284 Q C 0.407 176.375 176.000 -0.054 0.000 0.961 284 Q CA -0.029 55.745 55.803 -0.047 0.000 0.953 284 Q CB -0.202 28.521 28.738 -0.024 0.000 1.011 284 Q HN 0.309 nan 8.270 nan 0.000 0.516 285 E N 2.705 122.879 120.200 -0.043 0.000 2.708 285 E HA -0.138 4.213 4.350 0.001 0.000 0.260 285 E C -0.338 176.224 176.600 -0.064 0.000 0.937 285 E CA 0.480 56.849 56.400 -0.052 0.000 0.953 285 E CB 0.388 30.043 29.700 -0.075 0.000 0.915 285 E HN -0.037 nan 8.360 nan 0.000 0.487 286 K N 5.301 125.673 120.400 -0.046 0.000 2.368 286 K HA 0.135 4.455 4.320 0.001 0.000 0.282 286 K C 0.004 176.580 176.600 -0.039 0.000 1.035 286 K CA -0.289 55.974 56.287 -0.039 0.000 0.973 286 K CB 0.111 32.615 32.500 0.006 0.000 0.957 286 K HN 0.612 nan 8.250 nan 0.000 0.474 287 I N 0.527 121.067 120.570 -0.050 0.000 2.707 287 I HA 0.286 4.457 4.170 0.001 0.000 0.309 287 I C 0.042 176.174 176.117 0.025 0.000 1.001 287 I CA -0.790 60.483 61.300 -0.045 0.000 1.129 287 I CB 1.685 39.644 38.000 -0.068 0.000 1.308 287 I HN 0.511 nan 8.210 nan 0.000 0.466 288 D N 2.541 122.952 120.400 0.018 0.000 2.301 288 D HA 0.162 4.802 4.640 0.001 0.000 0.206 288 D C -0.122 176.374 176.300 0.327 0.000 0.979 288 D CA 1.326 55.433 54.000 0.177 0.000 0.874 288 D CB 0.410 41.358 40.800 0.246 0.000 0.968 288 D HN 0.561 nan 8.370 nan 0.000 0.510 289 F N -1.462 118.583 119.950 0.159 0.000 2.713 289 F HA 0.570 5.097 4.527 0.001 0.000 0.311 289 F C -1.522 174.394 175.800 0.192 0.000 1.141 289 F CA -1.369 56.761 58.000 0.216 0.000 0.939 289 F CB 1.121 40.330 39.000 0.348 0.000 1.325 289 F HN -0.404 nan 8.300 nan 0.000 0.453 290 V N 1.453 121.605 119.914 0.397 0.000 2.495 290 V HA 0.799 4.919 4.120 0.001 0.000 0.298 290 V C 0.142 176.492 176.094 0.426 0.000 1.031 290 V CA -0.445 62.017 62.300 0.271 0.000 0.871 290 V CB 1.562 33.547 31.823 0.269 0.000 0.988 290 V HN 1.158 nan 8.190 nan 0.000 0.432 291 G N 4.619 113.576 108.800 0.263 0.000 2.368 291 G HA2 0.682 4.643 3.960 0.001 0.000 0.320 291 G HA3 0.682 4.643 3.960 0.001 0.000 0.320 291 G C -1.038 173.974 174.900 0.185 0.000 1.158 291 G CA -0.484 44.777 45.100 0.269 0.000 0.912 291 G HN 0.579 nan 8.290 nan 0.000 0.456 292 L N 2.611 123.983 121.223 0.247 0.000 2.333 292 L HA 0.395 4.735 4.340 0.001 0.000 0.280 292 L C -0.620 176.401 176.870 0.251 0.000 1.004 292 L CA -1.194 53.818 54.840 0.287 0.000 0.820 292 L CB 1.828 44.070 42.059 0.305 0.000 1.247 292 L HN 0.357 nan 8.230 nan 0.000 0.416 293 N N 2.191 121.039 118.700 0.247 0.000 2.487 293 N HA 0.467 5.208 4.740 0.001 0.000 0.292 293 N C -1.328 174.381 175.510 0.332 0.000 1.108 293 N CA -0.260 52.931 53.050 0.234 0.000 0.956 293 N CB 1.709 40.328 38.487 0.219 0.000 1.176 293 N HN 0.438 nan 8.380 nan 0.000 0.484 294 Y N 1.115 121.483 120.300 0.113 0.000 2.442 294 Y HA 0.311 4.861 4.550 0.001 0.000 0.330 294 Y C -1.154 174.758 175.900 0.020 0.000 1.100 294 Y CA -0.528 57.669 58.100 0.161 0.000 1.034 294 Y CB 0.673 39.254 38.460 0.202 0.000 1.285 294 Y HN 0.570 nan 8.280 nan 0.000 0.440 295 Y N 1.686 121.545 120.300 -0.735 0.000 2.640 295 Y HA 0.435 4.986 4.550 0.001 0.000 0.274 295 Y C 0.671 176.307 175.900 -0.439 0.000 1.164 295 Y CA 0.311 58.221 58.100 -0.317 0.000 1.189 295 Y CB 1.114 39.539 38.460 -0.059 0.000 1.333 295 Y HN 0.468 nan 8.280 nan 0.000 0.494 296 S N -0.817 114.484 115.700 -0.665 0.000 2.579 296 S HA 0.732 5.202 4.470 0.001 0.000 0.272 296 S C -0.537 173.880 174.600 -0.304 0.000 1.141 296 S CA -0.358 57.650 58.200 -0.321 0.000 0.843 296 S CB 1.378 64.354 63.200 -0.374 0.000 1.122 296 S HN 0.333 nan 8.310 nan 0.000 0.468 297 G N 1.473 110.132 108.800 -0.236 0.000 2.489 297 G HA2 0.718 4.678 3.960 0.001 0.000 0.327 297 G HA3 0.718 4.678 3.960 0.001 0.000 0.327 297 G C -1.592 172.927 174.900 -0.634 0.000 1.189 297 G CA -0.382 44.573 45.100 -0.241 0.000 0.962 297 G HN 0.712 nan 8.290 nan 0.000 0.486 298 H N -0.207 118.765 119.070 -0.163 0.000 2.974 298 H HA 0.304 4.860 4.556 0.001 0.000 0.366 298 H C -1.333 174.058 175.328 0.104 0.000 1.155 298 H CA -0.582 55.453 56.048 -0.022 0.000 1.186 298 H CB 2.590 32.378 29.762 0.044 0.000 1.799 298 H HN 0.382 nan 8.280 nan 0.000 0.541 299 L N 2.769 124.140 121.223 0.247 0.000 2.289 299 L HA 0.381 4.721 4.340 0.001 0.000 0.285 299 L C -0.826 176.225 176.870 0.301 0.000 1.049 299 L CA -0.385 54.571 54.840 0.194 0.000 0.804 299 L CB 1.003 43.130 42.059 0.114 0.000 1.195 299 L HN 0.356 nan 8.230 nan 0.000 0.428 300 V N 5.163 125.206 119.914 0.216 0.000 2.588 300 V HA 0.554 4.674 4.120 0.001 0.000 0.304 300 V C -0.521 175.621 176.094 0.080 0.000 1.042 300 V CA -0.827 61.569 62.300 0.160 0.000 0.877 300 V CB 1.880 33.789 31.823 0.143 0.000 0.996 300 V HN 0.824 nan 8.190 nan 0.000 0.425 301 K N 3.537 123.959 120.400 0.037 0.000 2.328 301 K HA 0.665 4.986 4.320 0.001 0.000 0.246 301 K C -0.729 175.887 176.600 0.028 0.000 0.955 301 K CA -0.717 55.599 56.287 0.049 0.000 0.817 301 K CB 2.290 34.816 32.500 0.044 0.000 1.208 301 K HN 0.400 nan 8.250 nan 0.000 0.432 302 F N 2.247 122.166 119.950 -0.052 0.000 2.563 302 F HA 0.135 4.663 4.527 0.001 0.000 0.363 302 F C -0.360 175.398 175.800 -0.071 0.000 1.123 302 F CA 0.680 58.635 58.000 -0.076 0.000 1.307 302 F CB 0.762 39.723 39.000 -0.065 0.000 1.115 302 F HN 0.717 nan 8.300 nan 0.000 0.592 303 D N 8.039 127.859 120.400 -0.966 0.000 2.479 303 D HA 0.255 4.895 4.640 0.001 0.000 0.246 303 D C -2.062 173.680 176.300 -0.929 0.000 1.336 303 D CA -2.047 51.546 54.000 -0.679 0.000 0.967 303 D CB 1.953 42.534 40.800 -0.364 0.000 1.275 303 D HN 0.211 nan 8.370 nan 0.000 0.577 304 P HA -0.090 nan 4.420 nan 0.000 0.219 304 P C 0.068 177.226 177.300 -0.237 0.000 1.146 304 P CA 0.806 63.685 63.100 -0.368 0.000 0.808 304 P CB 0.582 32.270 31.700 -0.018 0.000 0.779 309 K N -1.547 118.627 120.400 -0.376 0.000 3.339 309 K HA 0.033 4.354 4.320 0.001 0.000 0.299 309 K C 0.080 176.347 176.600 -0.555 0.000 1.270 309 K CA 1.453 57.446 56.287 -0.489 0.000 0.875 309 K CB -2.927 nan 32.500 nan 0.000 1.298 309 K HN 1.703 nan 8.250 nan 0.000 0.485 310 V N 0.702 120.363 119.914 -0.422 0.000 2.733 310 V HA 0.840 4.960 4.120 0.001 0.000 0.306 310 V C 0.016 175.884 176.094 -0.377 0.000 1.084 310 V CA -0.181 61.904 62.300 -0.358 0.000 0.905 310 V CB 2.125 33.782 31.823 -0.278 0.000 1.010 310 V HN 1.277 nan 8.190 nan 0.000 0.424 311 S N 3.896 119.384 115.700 -0.353 0.000 2.595 311 S HA 0.818 5.289 4.470 0.001 0.000 0.281 311 S C -1.014 173.402 174.600 -0.306 0.000 1.117 311 S CA -0.687 57.305 58.200 -0.347 0.000 0.873 311 S CB 1.712 64.805 63.200 -0.179 0.000 1.108 311 S HN 0.317 nan 8.310 nan 0.000 0.477 312 F N 0.822 120.787 119.950 0.025 0.000 2.375 312 F HA 0.580 5.108 4.527 0.001 0.000 0.333 312 F C 0.081 175.923 175.800 0.069 0.000 1.104 312 F CA -0.820 57.225 58.000 0.076 0.000 1.149 312 F CB 1.392 40.468 39.000 0.125 0.000 1.190 312 F HN 0.330 nan 8.300 nan 0.000 0.533 313 V N 1.972 122.062 119.914 0.294 0.000 2.384 313 V HA 0.183 4.304 4.120 0.001 0.000 0.287 313 V C -0.134 176.058 176.094 0.163 0.000 1.020 313 V CA -1.026 61.379 62.300 0.175 0.000 0.850 313 V CB 1.324 33.221 31.823 0.123 0.000 0.987 313 V HN 0.710 nan 8.190 nan 0.000 0.436 314 E N 4.617 124.896 120.200 0.131 0.000 2.384 314 E HA 0.261 4.611 4.350 0.001 0.000 0.266 314 E C -0.228 176.420 176.600 0.080 0.000 1.012 314 E CA -0.121 56.341 56.400 0.104 0.000 0.901 314 E CB 0.638 30.392 29.700 0.091 0.000 0.967 314 E HN 0.536 nan 8.360 nan 0.000 0.435 315 R N 2.981 123.521 120.500 0.067 0.000 2.670 315 R HA 0.143 4.484 4.340 0.001 0.000 0.289 315 R C -1.036 175.295 176.300 0.052 0.000 0.965 315 R CA -0.876 55.257 56.100 0.055 0.000 0.899 315 R CB 1.209 31.537 30.300 0.045 0.000 1.173 315 R HN 0.494 nan 8.270 nan 0.000 0.456 316 D N 2.676 123.105 120.400 0.048 0.000 2.600 316 D HA 0.110 4.750 4.640 0.001 0.000 0.226 316 D C -0.928 175.403 176.300 0.051 0.000 1.119 316 D CA 0.059 54.088 54.000 0.048 0.000 1.051 316 D CB 0.056 40.881 40.800 0.042 0.000 1.106 316 D HN 0.019 nan 8.370 nan 0.000 0.491 317 L N 2.965 124.223 121.223 0.057 0.000 2.333 317 L HA 0.553 4.894 4.340 0.001 0.000 0.269 317 L C -1.972 174.948 176.870 0.083 0.000 1.010 317 L CA -2.522 52.358 54.840 0.067 0.000 0.818 317 L CB 1.502 43.600 42.059 0.066 0.000 1.306 317 L HN 0.158 nan 8.230 nan 0.000 0.430 318 P HA 0.106 nan 4.420 nan 0.000 0.264 318 P C -1.116 176.276 177.300 0.155 0.000 1.183 318 P CA 0.136 63.313 63.100 0.129 0.000 0.763 318 P CB 0.446 32.235 31.700 0.148 0.000 0.807 319 K N 0.563 121.054 120.400 0.151 0.000 2.395 319 K HA 0.476 4.796 4.320 0.001 0.000 0.247 319 K C 0.546 177.204 176.600 0.098 0.000 0.973 319 K CA -0.745 55.617 56.287 0.125 0.000 0.828 319 K CB 1.713 34.260 32.500 0.078 0.000 1.272 319 K HN 0.452 nan 8.250 nan 0.000 0.439 320 T N -2.037 112.482 114.554 -0.058 0.000 2.810 320 T HA 0.282 4.633 4.350 0.001 0.000 0.277 320 T C 1.248 175.720 174.700 -0.380 0.000 0.973 320 T CA -0.251 61.584 62.100 -0.442 0.000 0.949 320 T CB 1.100 69.529 68.868 -0.731 0.000 1.075 320 T HN 0.557 nan 8.240 nan 0.000 0.537 321 A N 0.228 122.734 122.820 -0.524 0.000 2.178 321 A HA 0.038 4.359 4.320 0.001 0.000 0.218 321 A C 2.161 179.504 177.584 -0.402 0.000 1.157 321 A CA 0.834 52.663 52.037 -0.347 0.000 0.689 321 A CB -0.903 17.915 19.000 -0.304 0.000 0.787 321 A HN 0.756 nan 8.150 nan 0.000 0.465 322 M N -1.648 117.569 119.600 -0.637 0.000 2.562 322 M HA 0.100 4.581 4.480 0.001 0.000 0.257 322 M C 1.586 177.609 176.300 -0.461 0.000 1.099 322 M CA 0.998 55.826 55.300 -0.785 0.000 1.099 322 M CB -1.091 30.369 32.600 -1.899 0.000 1.427 322 M HN 0.781 nan 8.290 nan 0.000 0.489 323 G N -0.273 108.371 108.800 -0.259 0.000 2.143 323 G HA2 -0.191 3.770 3.960 0.001 0.000 0.249 323 G HA3 -0.191 3.770 3.960 0.001 0.000 0.249 323 G C -0.586 174.403 174.900 0.149 0.000 0.981 323 G CA -0.282 44.803 45.100 -0.026 0.000 0.665 323 G HN 0.410 nan 8.290 nan 0.000 0.528 324 W N 1.925 123.195 121.300 -0.051 0.000 2.335 324 W HA 0.578 5.238 4.660 0.001 0.000 0.306 324 W C 0.639 177.132 176.519 -0.044 0.000 1.216 324 W CA -1.687 55.618 57.345 -0.067 0.000 1.237 324 W CB 0.080 29.515 29.460 -0.042 0.000 1.243 324 W HN 0.251 nan 8.180 nan 0.000 0.493 325 E N 2.539 122.807 120.200 0.112 0.000 2.414 325 E HA 0.079 4.430 4.350 0.001 0.000 0.263 325 E C -0.163 176.540 176.600 0.171 0.000 1.000 325 E CA 0.055 56.509 56.400 0.089 0.000 0.914 325 E CB 0.823 30.518 29.700 -0.009 0.000 0.948 325 E HN 0.249 nan 8.360 nan 0.000 0.444 326 I N 3.512 124.223 120.570 0.236 0.000 2.291 326 I HA 0.069 4.240 4.170 0.001 0.000 0.292 326 I C -0.552 175.709 176.117 0.241 0.000 1.064 326 I CA -0.325 61.179 61.300 0.341 0.000 1.269 326 I CB 0.612 38.859 38.000 0.411 0.000 1.418 326 I HN 0.207 nan 8.210 nan 0.000 0.485 327 V N 8.701 128.785 119.914 0.282 0.000 2.467 327 V HA 0.180 4.300 4.120 0.001 0.000 0.260 327 V C -1.776 174.442 176.094 0.207 0.000 0.963 327 V CA -0.934 61.506 62.300 0.234 0.000 0.856 327 V CB 1.022 33.011 31.823 0.277 0.000 1.087 327 V HN 0.547 nan 8.190 nan 0.000 0.467 328 P HA -0.185 nan 4.420 nan 0.000 0.218 328 P C 1.668 178.851 177.300 -0.196 0.000 1.148 328 P CA 1.208 64.002 63.100 -0.510 0.000 0.822 328 P CB 0.290 31.669 31.700 -0.535 0.000 0.784 329 E N -0.181 119.983 120.200 -0.061 0.000 2.265 329 E HA -0.123 4.228 4.350 0.001 0.000 0.196 329 E C 2.072 178.574 176.600 -0.163 0.000 0.996 329 E CA 1.616 57.994 56.400 -0.037 0.000 0.832 329 E CB -1.556 28.161 29.700 0.027 0.000 0.756 329 E HN 0.219 nan 8.360 nan 0.000 0.491 330 G N 1.951 110.612 108.800 -0.232 0.000 2.432 330 G HA2 -0.223 3.738 3.960 0.001 0.000 0.219 330 G HA3 -0.223 3.738 3.960 0.001 0.000 0.219 330 G C 1.617 176.049 174.900 -0.780 0.000 1.135 330 G CA 0.712 45.467 45.100 -0.575 0.000 0.767 330 G HN 0.340 nan 8.290 nan 0.000 0.550 331 I N -0.852 119.238 120.570 -0.801 0.000 2.315 331 I HA -0.095 4.075 4.170 0.001 0.000 0.248 331 I C 2.400 178.447 176.117 -0.117 0.000 1.117 331 I CA 1.056 62.048 61.300 -0.514 0.000 1.404 331 I CB -0.027 37.945 38.000 -0.047 0.000 1.071 331 I HN 0.353 nan 8.210 nan 0.000 0.419 332 Y N 0.114 120.323 120.300 -0.151 0.000 2.145 332 Y HA -0.327 4.223 4.550 0.001 0.000 0.286 332 Y C 2.260 178.107 175.900 -0.088 0.000 1.145 332 Y CA 1.973 60.024 58.100 -0.082 0.000 1.148 332 Y CB -0.730 37.694 38.460 -0.058 0.000 0.981 332 Y HN 0.335 nan 8.280 nan 0.000 0.507 333 W N 0.697 121.796 121.300 -0.335 0.000 2.335 333 W HA -0.282 4.378 4.660 0.001 0.000 0.311 333 W C 2.164 178.507 176.519 -0.293 0.000 1.213 333 W CA 2.388 59.484 57.345 -0.416 0.000 1.274 333 W CB -0.568 28.505 29.460 -0.645 0.000 1.148 333 W HN 0.230 nan 8.180 nan 0.000 0.498 334 I N 0.264 120.845 120.570 0.019 0.000 2.394 334 I HA -0.229 3.942 4.170 0.001 0.000 0.251 334 I C 2.195 178.267 176.117 -0.075 0.000 1.136 334 I CA 1.547 62.905 61.300 0.097 0.000 1.425 334 I CB -0.494 37.701 38.000 0.325 0.000 1.079 334 I HN 0.017 nan 8.210 nan 0.000 0.425 335 L N -0.261 120.869 121.223 -0.155 0.000 2.044 335 L HA -0.150 4.190 4.340 0.001 0.000 0.205 335 L C 2.495 179.190 176.870 -0.291 0.000 1.075 335 L CA 0.899 55.639 54.840 -0.166 0.000 0.747 335 L CB -0.736 41.262 42.059 -0.101 0.000 0.903 335 L HN 0.034 nan 8.230 nan 0.000 0.435 336 K N 0.387 120.499 120.400 -0.480 0.000 2.063 336 K HA -0.215 4.105 4.320 0.001 0.000 0.208 336 K C 2.097 178.432 176.600 -0.442 0.000 1.048 336 K CA 1.366 57.349 56.287 -0.507 0.000 0.928 336 K CB -0.297 31.777 32.500 -0.710 0.000 0.713 336 K HN 0.046 nan 8.250 nan 0.000 0.442 337 K N 1.012 121.073 120.400 -0.566 0.000 2.097 337 K HA -0.052 4.269 4.320 0.001 0.000 0.205 337 K C 1.978 178.473 176.600 -0.176 0.000 1.050 337 K CA 0.657 56.643 56.287 -0.501 0.000 0.938 337 K CB -0.398 31.538 32.500 -0.940 0.000 0.718 337 K HN -0.057 nan 8.250 nan 0.000 0.442 338 V N 0.770 120.565 119.914 -0.197 0.000 2.427 338 V HA -0.205 3.915 4.120 0.001 0.000 0.248 338 V C 2.237 178.205 176.094 -0.209 0.000 1.051 338 V CA 1.965 64.062 62.300 -0.338 0.000 1.048 338 V CB -0.291 31.154 31.823 -0.630 0.000 0.666 338 V HN 0.421 nan 8.190 nan 0.000 0.456 339 K N 0.075 120.355 120.400 -0.199 0.000 2.032 339 K HA -0.282 4.039 4.320 0.001 0.000 0.209 339 K C 2.199 178.693 176.600 -0.177 0.000 1.048 339 K CA 2.302 58.488 56.287 -0.169 0.000 0.927 339 K CB -0.357 32.045 32.500 -0.164 0.000 0.712 339 K HN 0.687 nan 8.250 nan 0.000 0.441 340 E N 0.314 120.395 120.200 -0.197 0.000 2.077 340 E HA -0.221 4.130 4.350 0.001 0.000 0.193 340 E C 1.540 178.009 176.600 -0.219 0.000 0.989 340 E CA 1.440 57.725 56.400 -0.190 0.000 0.800 340 E CB 0.100 29.678 29.700 -0.202 0.000 0.746 340 E HN 0.446 nan 8.360 nan 0.000 0.452 341 E N -1.272 118.770 120.200 -0.263 0.000 2.086 341 E HA -0.087 4.263 4.350 0.001 0.000 0.190 341 E C 0.994 177.111 176.600 -0.805 0.000 0.975 341 E CA 0.863 56.960 56.400 -0.506 0.000 0.813 341 E CB 0.219 29.643 29.700 -0.460 0.000 0.768 341 E HN 0.391 nan 8.360 nan 0.000 0.457 342 Y N -0.891 119.300 120.300 -0.183 0.000 2.499 342 Y HA 0.212 4.762 4.550 0.001 0.000 0.253 342 Y C 0.195 175.793 175.900 -0.502 0.000 1.105 342 Y CA -0.577 57.279 58.100 -0.407 0.000 1.240 342 Y CB 0.418 38.578 38.460 -0.500 0.000 1.289 342 Y HN -0.122 nan 8.280 nan 0.000 0.534 343 N N 1.613 120.190 118.700 -0.205 0.000 2.686 343 N HA -0.135 4.606 4.740 0.001 0.000 0.261 343 N C -2.830 172.594 175.510 -0.143 0.000 1.001 343 N CA 0.168 53.122 53.050 -0.159 0.000 0.764 343 N CB -0.342 38.067 38.487 -0.129 0.000 0.898 343 N HN 0.168 nan 8.380 nan 0.000 0.544 344 P HA 0.107 nan 4.420 nan 0.000 0.269 344 P C -1.715 175.628 177.300 0.073 0.000 1.215 344 P CA -1.002 62.121 63.100 0.038 0.000 0.780 344 P CB 0.475 32.255 31.700 0.134 0.000 0.898 345 P HA -0.048 nan 4.420 nan 0.000 0.217 345 P C 0.049 177.411 177.300 0.103 0.000 1.151 345 P CA 1.465 64.629 63.100 0.107 0.000 0.828 345 P CB 0.554 32.335 31.700 0.135 0.000 0.788 346 E N -0.953 119.345 120.200 0.163 0.000 2.317 346 E HA 0.522 4.872 4.350 0.001 0.000 0.270 346 E C -1.221 175.485 176.600 0.175 0.000 0.885 346 E CA -1.008 55.469 56.400 0.128 0.000 0.760 346 E CB 3.013 32.826 29.700 0.188 0.000 1.227 346 E HN -0.290 nan 8.360 nan 0.000 0.434 347 V N 2.057 121.991 119.914 0.033 0.000 2.735 347 V HA 0.442 4.563 4.120 0.001 0.000 0.310 347 V C -1.396 174.657 176.094 -0.069 0.000 1.061 347 V CA -0.860 61.504 62.300 0.107 0.000 0.913 347 V CB 1.246 33.109 31.823 0.068 0.000 1.005 347 V HN 0.587 nan 8.190 nan 0.000 0.428 348 Y N 2.682 123.083 120.300 0.170 0.000 2.446 348 Y HA 0.565 5.115 4.550 0.001 0.000 0.345 348 Y C 0.041 176.043 175.900 0.170 0.000 0.984 348 Y CA -1.055 57.116 58.100 0.119 0.000 1.058 348 Y CB 1.898 40.394 38.460 0.061 0.000 1.220 348 Y HN 0.351 nan 8.280 nan 0.000 0.455 349 I N 3.240 124.015 120.570 0.342 0.000 2.308 349 I HA 0.045 4.215 4.170 0.001 0.000 0.293 349 I C 1.041 177.318 176.117 0.267 0.000 1.078 349 I CA 0.165 61.641 61.300 0.293 0.000 1.292 349 I CB 0.521 38.728 38.000 0.346 0.000 1.423 349 I HN 0.815 nan 8.210 nan 0.000 0.493 350 T N 2.331 116.994 114.554 0.182 0.000 3.081 350 T HA 0.232 4.583 4.350 0.001 0.000 0.255 350 T C 0.534 175.263 174.700 0.049 0.000 1.113 350 T CA 0.123 62.234 62.100 0.019 0.000 1.082 350 T CB 0.317 69.123 68.868 -0.103 0.000 0.939 350 T HN 0.556 nan 8.240 nan 0.000 0.506 351 E N 0.818 121.065 120.200 0.077 0.000 2.335 351 E HA 0.433 4.783 4.350 0.001 0.000 0.280 351 E C -1.473 175.041 176.600 -0.143 0.000 0.918 351 E CA -0.715 55.731 56.400 0.076 0.000 0.765 351 E CB 1.919 31.717 29.700 0.163 0.000 1.218 351 E HN 0.221 nan 8.360 nan 0.000 0.425 352 N N 1.694 120.264 118.700 -0.216 0.000 2.431 352 N HA 0.603 5.344 4.740 0.001 0.000 0.275 352 N C -1.221 174.262 175.510 -0.045 0.000 1.091 352 N CA -0.252 52.621 53.050 -0.295 0.000 0.922 352 N CB 2.190 40.687 38.487 0.016 0.000 1.666 352 N HN 0.659 nan 8.380 nan 0.000 0.484 353 G N 0.730 109.531 108.800 0.002 0.000 2.320 353 G HA2 0.680 4.641 3.960 0.001 0.000 0.296 353 G HA3 0.680 4.641 3.960 0.001 0.000 0.296 353 G C -2.148 172.795 174.900 0.070 0.000 1.306 353 G CA -0.026 45.224 45.100 0.250 0.000 0.836 353 G HN 0.742 nan 8.290 nan 0.000 0.517 354 A N -1.431 121.371 122.820 -0.029 0.000 2.574 354 A HA 0.991 5.311 4.320 0.001 0.000 0.297 354 A C -0.342 176.710 177.584 -0.886 0.000 1.062 354 A CA 0.292 52.001 52.037 -0.547 0.000 0.686 354 A CB 1.326 19.680 19.000 -1.076 0.000 1.285 354 A HN 2.455 nan 8.150 nan 0.000 0.403 355 A N 0.986 122.921 122.820 -1.475 0.000 2.274 355 A HA 0.843 5.163 4.320 0.001 0.000 0.309 355 A C -1.021 175.907 177.584 -1.093 0.000 1.226 355 A CA -0.117 51.096 52.037 -1.375 0.000 0.853 355 A CB -0.110 17.970 19.000 -1.534 0.000 1.146 355 A HN 0.826 nan 8.150 nan 0.000 0.518 356 F N -0.035 119.711 119.950 -0.340 0.000 2.629 356 F HA 0.329 4.856 4.527 0.001 0.000 0.316 356 F C -0.230 175.494 175.800 -0.126 0.000 1.081 356 F CA -0.872 57.012 58.000 -0.193 0.000 0.954 356 F CB 1.784 40.706 39.000 -0.129 0.000 1.337 356 F HN 0.482 nan 8.300 nan 0.000 0.474 357 D N 1.854 122.340 120.400 0.142 0.000 2.545 357 D HA 0.067 4.707 4.640 0.001 0.000 0.227 357 D C -0.638 175.721 176.300 0.097 0.000 1.150 357 D CA 0.178 54.226 54.000 0.081 0.000 1.046 357 D CB -0.285 40.553 40.800 0.062 0.000 1.098 357 D HN 0.322 nan 8.370 nan 0.000 0.502 358 D N 0.892 121.366 120.400 0.124 0.000 2.389 358 D HA 0.140 4.780 4.640 0.001 0.000 0.247 358 D C 0.701 177.075 176.300 0.123 0.000 1.128 358 D CA -0.004 54.076 54.000 0.132 0.000 0.884 358 D CB 1.935 42.867 40.800 0.220 0.000 1.194 358 D HN 0.079 nan 8.370 nan 0.000 0.441 359 V N -1.065 118.846 119.914 -0.005 0.000 2.925 359 V HA 0.460 4.580 4.120 0.001 0.000 0.311 359 V C -0.173 175.770 176.094 -0.253 0.000 1.104 359 V CA -1.091 61.153 62.300 -0.092 0.000 0.954 359 V CB 1.803 33.606 31.823 -0.032 0.000 1.022 359 V HN 0.187 nan 8.190 nan 0.000 0.427 360 V N 3.247 122.940 119.914 -0.368 0.000 2.427 360 V HA 0.317 4.437 4.120 0.001 0.000 0.268 360 V C 0.930 176.914 176.094 -0.183 0.000 1.046 360 V CA 0.336 62.418 62.300 -0.364 0.000 0.970 360 V CB 0.513 32.088 31.823 -0.413 0.000 1.001 360 V HN 1.056 nan 8.190 nan 0.000 0.476 361 S N 3.628 119.242 115.700 -0.143 0.000 2.596 361 S HA 0.093 4.563 4.470 0.001 0.000 0.260 361 S C 1.319 175.894 174.600 -0.042 0.000 1.336 361 S CA -0.573 57.602 58.200 -0.043 0.000 0.993 361 S CB 0.601 63.838 63.200 0.061 0.000 0.923 361 S HN 0.839 nan 8.310 nan 0.000 0.567 362 E N 0.911 121.106 120.200 -0.009 0.000 2.265 362 E HA -0.180 4.171 4.350 0.001 0.000 0.196 362 E C 0.920 177.516 176.600 -0.008 0.000 0.996 362 E CA 1.103 57.496 56.400 -0.012 0.000 0.832 362 E CB -0.184 29.514 29.700 -0.004 0.000 0.756 362 E HN 0.650 nan 8.360 nan 0.000 0.491 363 D N -0.467 119.941 120.400 0.013 0.000 2.363 363 D HA -0.011 4.629 4.640 0.001 0.000 0.226 363 D C 1.298 177.589 176.300 -0.015 0.000 1.020 363 D CA 0.764 54.777 54.000 0.021 0.000 0.892 363 D CB 0.027 40.877 40.800 0.083 0.000 0.900 363 D HN 0.200 nan 8.370 nan 0.000 0.531 364 G N -0.012 108.756 108.800 -0.053 0.000 2.179 364 G HA2 -0.330 3.631 3.960 0.001 0.000 0.260 364 G HA3 -0.330 3.631 3.960 0.001 0.000 0.260 364 G C 0.331 175.155 174.900 -0.126 0.000 0.977 364 G CA 0.138 45.190 45.100 -0.080 0.000 0.641 364 G HN 0.513 nan 8.290 nan 0.000 0.533 365 R N -0.898 119.490 120.500 -0.186 0.000 2.674 365 R HA 0.660 5.000 4.340 0.001 0.000 0.266 365 R C -0.446 175.573 176.300 -0.469 0.000 1.016 365 R CA -0.735 55.174 56.100 -0.319 0.000 1.062 365 R CB 1.997 32.046 30.300 -0.418 0.000 1.142 365 R HN 0.074 nan 8.270 nan 0.000 0.517 366 V N 3.016 122.684 119.914 -0.411 0.000 2.293 366 V HA 0.146 4.266 4.120 0.001 0.000 0.275 366 V C -0.359 175.575 176.094 -0.268 0.000 1.021 366 V CA -0.686 61.419 62.300 -0.326 0.000 0.815 366 V CB 0.811 32.500 31.823 -0.224 0.000 1.025 366 V HN 0.665 nan 8.190 nan 0.000 0.448 367 H N 4.266 123.313 119.070 -0.038 0.000 2.855 367 H HA 0.157 4.713 4.556 0.001 0.000 0.238 367 H C 0.097 175.391 175.328 -0.056 0.000 1.847 367 H CA -0.421 55.609 56.048 -0.030 0.000 1.368 367 H CB 0.037 29.779 29.762 -0.034 0.000 1.758 367 H HN 0.742 nan 8.280 nan 0.000 0.546 368 D N 1.101 121.512 120.400 0.020 0.000 2.896 368 D HA -0.040 4.601 4.640 0.001 0.000 0.240 368 D C 1.300 177.531 176.300 -0.115 0.000 1.193 368 D CA -0.464 53.502 54.000 -0.056 0.000 0.983 368 D CB 0.557 41.342 40.800 -0.025 0.000 1.074 368 D HN 0.182 nan 8.370 nan 0.000 0.496 369 Q N 1.925 121.656 119.800 -0.114 0.000 2.135 369 Q HA -0.264 4.077 4.340 0.001 0.000 0.204 369 Q C 1.375 177.231 176.000 -0.241 0.000 0.981 369 Q CA 2.039 57.750 55.803 -0.153 0.000 0.856 369 Q CB -0.237 28.431 28.738 -0.117 0.000 0.902 369 Q HN 0.493 nan 8.270 nan 0.000 0.425 370 N N -0.029 118.447 118.700 -0.372 0.000 2.094 370 N HA -0.253 4.487 4.740 0.001 0.000 0.191 370 N C 1.629 176.847 175.510 -0.486 0.000 1.023 370 N CA 1.936 54.612 53.050 -0.624 0.000 0.857 370 N CB -0.677 37.049 38.487 -1.269 0.000 1.013 370 N HN 0.341 nan 8.380 nan 0.000 0.426 371 R N 0.240 120.536 120.500 -0.340 0.000 2.090 371 R HA 0.168 4.508 4.340 0.001 0.000 0.228 371 R C 2.160 178.457 176.300 -0.005 0.000 1.110 371 R CA 0.644 56.782 56.100 0.064 0.000 0.973 371 R CB -0.195 30.184 30.300 0.131 0.000 0.869 371 R HN 0.239 nan 8.270 nan 0.000 0.440 372 I N 1.227 121.669 120.570 -0.213 0.000 2.127 372 I HA -0.314 3.857 4.170 0.001 0.000 0.241 372 I C 1.614 177.448 176.117 -0.470 0.000 1.075 372 I CA 1.498 62.459 61.300 -0.565 0.000 1.334 372 I CB -0.327 37.271 38.000 -0.670 0.000 1.040 372 I HN 0.201 nan 8.210 nan 0.000 0.405 373 D N -0.038 120.226 120.400 -0.227 0.000 2.104 373 D HA -0.249 4.392 4.640 0.001 0.000 0.194 373 D C 1.903 178.240 176.300 0.061 0.000 0.994 373 D CA 1.424 55.367 54.000 -0.094 0.000 0.830 373 D CB -0.521 40.248 40.800 -0.052 0.000 0.959 373 D HN 0.357 nan 8.370 nan 0.000 0.452 374 Y N 1.444 121.793 120.300 0.083 0.000 2.070 374 Y HA -0.215 4.336 4.550 0.001 0.000 0.280 374 Y C 2.289 178.408 175.900 0.366 0.000 1.148 374 Y CA 1.553 59.830 58.100 0.296 0.000 1.125 374 Y CB -0.527 38.152 38.460 0.364 0.000 0.975 374 Y HN -0.087 nan 8.280 nan 0.000 0.492 375 L N 0.230 121.720 121.223 0.446 0.000 2.046 375 L HA -0.242 4.098 4.340 0.001 0.000 0.208 375 L C 2.635 179.716 176.870 0.352 0.000 1.077 375 L CA 1.895 56.993 54.840 0.432 0.000 0.747 375 L CB -0.627 41.659 42.059 0.379 0.000 0.896 375 L HN 0.190 nan 8.230 nan 0.000 0.432 376 K N 0.362 120.830 120.400 0.114 0.000 2.026 376 K HA -0.193 4.128 4.320 0.001 0.000 0.208 376 K C 2.162 178.888 176.600 0.210 0.000 1.048 376 K CA 1.396 57.834 56.287 0.252 0.000 0.929 376 K CB -0.099 32.454 32.500 0.088 0.000 0.713 376 K HN 0.274 nan 8.250 nan 0.000 0.439 377 A N 0.350 123.238 122.820 0.113 0.000 1.933 377 A HA -0.174 4.146 4.320 0.001 0.000 0.218 377 A C 1.653 179.222 177.584 -0.024 0.000 1.175 377 A CA 1.663 53.707 52.037 0.011 0.000 0.628 377 A CB -0.704 18.245 19.000 -0.085 0.000 0.814 377 A HN 0.434 nan 8.150 nan 0.000 0.444 378 H N -0.629 118.485 119.070 0.073 0.000 2.372 378 H HA 0.135 4.691 4.556 0.001 0.000 0.301 378 H C 1.897 177.357 175.328 0.220 0.000 1.065 378 H CA 1.466 57.601 56.048 0.146 0.000 1.364 378 H CB -0.150 29.715 29.762 0.172 0.000 1.406 378 H HN 0.421 nan 8.280 nan 0.000 0.521 379 I N 0.109 120.868 120.570 0.316 0.000 2.208 379 I HA -0.219 3.951 4.170 0.001 0.000 0.245 379 I C 2.634 178.983 176.117 0.388 0.000 1.097 379 I CA 1.334 62.777 61.300 0.238 0.000 1.363 379 I CB -0.472 37.642 38.000 0.190 0.000 1.051 379 I HN 0.386 nan 8.210 nan 0.000 0.413 380 G N -0.062 108.907 108.800 0.282 0.000 2.418 380 G HA2 -0.221 3.739 3.960 0.001 0.000 0.217 380 G HA3 -0.221 3.739 3.960 0.001 0.000 0.217 380 G C 1.594 176.651 174.900 0.262 0.000 1.158 380 G CA 0.365 45.604 45.100 0.231 0.000 0.771 380 G HN 0.289 nan 8.290 nan 0.000 0.545 381 Q N 0.423 120.341 119.800 0.196 0.000 2.123 381 Q HA 0.055 4.395 4.340 0.001 0.000 0.199 381 Q C 3.000 179.157 176.000 0.260 0.000 0.966 381 Q CA 1.258 57.166 55.803 0.174 0.000 0.845 381 Q CB -0.645 28.150 28.738 0.095 0.000 0.907 381 Q HN 0.441 nan 8.270 nan 0.000 0.439 382 A N 0.193 123.194 122.820 0.303 0.000 1.908 382 A HA -0.203 4.118 4.320 0.001 0.000 0.218 382 A C 1.884 179.594 177.584 0.210 0.000 1.181 382 A CA 1.411 53.635 52.037 0.313 0.000 0.627 382 A CB -1.176 18.082 19.000 0.430 0.000 0.818 382 A HN 0.541 nan 8.150 nan 0.000 0.445 383 W N 0.870 122.161 121.300 -0.014 0.000 2.321 383 W HA -0.249 4.412 4.660 0.001 0.000 0.306 383 W C 2.246 178.618 176.519 -0.244 0.000 1.217 383 W CA 2.454 59.524 57.345 -0.458 0.000 1.257 383 W CB -0.099 29.090 29.460 -0.452 0.000 1.145 383 W HN 0.317 nan 8.180 nan 0.000 0.509 384 K N -0.025 120.406 120.400 0.051 0.000 2.009 384 K HA -0.233 4.087 4.320 0.001 0.000 0.210 384 K C 2.212 178.780 176.600 -0.053 0.000 1.049 384 K CA 1.946 58.201 56.287 -0.053 0.000 0.929 384 K CB -0.654 31.881 32.500 0.059 0.000 0.714 384 K HN 0.161 nan 8.250 nan 0.000 0.440 385 A N 1.298 124.185 122.820 0.112 0.000 1.948 385 A HA -0.185 4.136 4.320 0.001 0.000 0.220 385 A C 2.090 179.588 177.584 -0.142 0.000 1.177 385 A CA 1.657 53.695 52.037 0.002 0.000 0.636 385 A CB -0.620 18.361 19.000 -0.031 0.000 0.815 385 A HN 0.377 nan 8.150 nan 0.000 0.449 386 I N -0.493 119.934 120.570 -0.239 0.000 2.179 386 I HA -0.276 3.895 4.170 0.001 0.000 0.242 386 I C 2.567 178.454 176.117 -0.384 0.000 1.088 386 I CA 1.240 62.350 61.300 -0.316 0.000 1.357 386 I CB -0.355 37.381 38.000 -0.440 0.000 1.051 386 I HN 0.320 nan 8.210 nan 0.000 0.409 387 Q N 0.844 120.301 119.800 -0.572 0.000 2.181 387 Q HA -0.203 4.138 4.340 0.001 0.000 0.205 387 Q C 1.504 177.334 176.000 -0.283 0.000 0.980 387 Q CA 1.397 56.887 55.803 -0.521 0.000 0.862 387 Q CB -0.508 27.789 28.738 -0.735 0.000 0.905 387 Q HN 0.615 nan 8.270 nan 0.000 0.429 388 E N -0.590 119.485 120.200 -0.208 0.000 2.445 388 E HA 0.222 4.573 4.350 0.001 0.000 0.189 388 E C 0.480 177.007 176.600 -0.122 0.000 1.069 388 E CA 0.298 56.625 56.400 -0.121 0.000 0.871 388 E CB 0.185 29.859 29.700 -0.043 0.000 0.991 388 E HN 0.472 nan 8.360 nan 0.000 0.481 389 G N 0.899 109.614 108.800 -0.142 0.000 2.159 389 G HA2 -0.261 3.700 3.960 0.001 0.000 0.227 389 G HA3 -0.261 3.700 3.960 0.001 0.000 0.227 389 G C 0.379 175.216 174.900 -0.106 0.000 0.986 389 G CA -0.087 44.944 45.100 -0.115 0.000 0.651 389 G HN 0.175 nan 8.290 nan 0.000 0.523 390 V N 2.617 122.460 119.914 -0.118 0.000 2.521 390 V HA 0.333 4.454 4.120 0.001 0.000 0.286 390 V C -0.863 175.188 176.094 -0.072 0.000 1.034 390 V CA -0.350 61.890 62.300 -0.101 0.000 1.045 390 V CB 1.192 32.948 31.823 -0.112 0.000 0.974 390 V HN 0.251 nan 8.190 nan 0.000 0.480 391 P HA 0.134 nan 4.420 nan 0.000 0.226 391 P C -0.429 176.839 177.300 -0.053 0.000 1.783 391 P CA -0.391 62.684 63.100 -0.042 0.000 0.980 391 P CB 0.189 31.873 31.700 -0.027 0.000 1.967 392 L N 2.127 123.340 121.223 -0.017 0.000 2.433 392 L HA 0.117 4.457 4.340 0.001 0.000 0.275 392 L C 1.173 178.038 176.870 -0.008 0.000 1.128 392 L CA 0.690 55.536 54.840 0.011 0.000 0.875 392 L CB 0.425 42.588 42.059 0.174 0.000 1.171 392 L HN -0.100 nan 8.230 nan 0.000 0.463 393 K N 3.878 124.017 120.400 -0.436 0.000 2.354 393 K HA 0.471 4.792 4.320 0.001 0.000 0.194 393 K C 0.471 176.468 176.600 -1.004 0.000 1.038 393 K CA 0.502 56.426 56.287 -0.605 0.000 1.052 393 K CB 0.763 32.818 32.500 -0.743 0.000 0.861 393 K HN 0.748 nan 8.250 nan 0.000 0.535 394 G N 0.213 108.357 108.800 -1.092 0.000 2.523 394 G HA2 0.390 4.351 3.960 0.001 0.000 0.291 394 G HA3 0.390 4.351 3.960 0.001 0.000 0.291 394 G C -2.329 172.312 174.900 -0.433 0.000 1.450 394 G CA -0.662 43.736 45.100 -1.169 0.000 0.790 394 G HN 0.007 nan 8.290 nan 0.000 0.496 395 Y N 0.099 120.069 120.300 -0.551 0.000 2.401 395 Y HA 0.735 5.286 4.550 0.001 0.000 0.330 395 Y C -2.025 173.848 175.900 -0.045 0.000 1.071 395 Y CA -1.594 56.498 58.100 -0.014 0.000 1.049 395 Y CB 1.572 40.143 38.460 0.186 0.000 1.239 395 Y HN 0.451 nan 8.280 nan 0.000 0.437 396 F N 5.653 125.420 119.950 -0.306 0.000 2.467 396 F HA 0.563 5.091 4.527 0.001 0.000 0.336 396 F C -0.445 175.176 175.800 -0.299 0.000 1.123 396 F CA -1.142 56.761 58.000 -0.161 0.000 0.964 396 F CB 1.695 40.632 39.000 -0.104 0.000 1.136 396 F HN 0.228 nan 8.300 nan 0.000 0.447 397 V N 3.741 123.652 119.914 -0.006 0.000 2.530 397 V HA -0.006 4.115 4.120 0.001 0.000 0.282 397 V C -0.369 175.795 176.094 0.116 0.000 1.048 397 V CA -0.646 61.623 62.300 -0.052 0.000 0.997 397 V CB 0.906 32.588 31.823 -0.234 0.000 0.987 397 V HN 0.737 nan 8.190 nan 0.000 0.477 398 W N 5.804 127.121 121.300 0.028 0.000 2.316 398 W HA 0.583 5.243 4.660 0.000 0.000 0.308 398 W C -0.125 176.499 176.519 0.174 0.000 1.106 398 W CA -0.084 57.321 57.345 0.101 0.000 1.262 398 W CB 1.554 31.102 29.460 0.147 0.000 1.233 398 W HN 0.617 nan 8.180 nan 0.000 0.447 399 S N 4.294 119.830 115.700 -0.273 0.000 2.661 399 S HA 0.292 4.762 4.470 0.001 0.000 0.285 399 S C 0.393 174.807 174.600 -0.310 0.000 1.138 399 S CA -0.708 57.057 58.200 -0.725 0.000 0.855 399 S CB 1.482 63.819 63.200 -1.438 0.000 1.136 399 S HN 0.517 nan 8.310 nan 0.000 0.484 400 L N 2.595 123.666 121.223 -0.253 0.000 2.013 400 L HA 0.271 4.611 4.340 0.001 0.000 0.212 400 L C -0.054 176.729 176.870 -0.145 0.000 1.073 400 L CA 2.026 56.787 54.840 -0.132 0.000 0.753 400 L CB -0.475 41.523 42.059 -0.103 0.000 0.890 400 L HN 0.638 nan 8.230 nan 0.000 0.432 401 L N -0.246 120.858 121.223 -0.198 0.000 2.362 401 L HA 0.360 4.701 4.340 0.001 0.000 0.271 401 L C -0.576 176.221 176.870 -0.123 0.000 1.002 401 L CA -1.230 53.523 54.840 -0.144 0.000 0.818 401 L CB 1.459 43.445 42.059 -0.122 0.000 1.298 401 L HN -0.121 nan 8.230 nan 0.000 0.420 402 D N 2.121 122.467 120.400 -0.090 0.000 2.472 402 D HA 0.173 4.813 4.640 0.001 0.000 0.237 402 D C -0.449 175.917 176.300 0.110 0.000 1.141 402 D CA 0.671 54.665 54.000 -0.010 0.000 0.875 402 D CB 0.623 41.340 40.800 -0.139 0.000 1.192 402 D HN 0.660 nan 8.370 nan 0.000 0.450 403 N N -0.696 118.133 118.700 0.215 0.000 3.364 403 N HA 0.226 4.967 4.740 0.001 0.000 0.294 403 N C -1.414 174.198 175.510 0.170 0.000 1.562 403 N CA -0.912 52.284 53.050 0.244 0.000 0.862 403 N CB 0.169 38.685 38.487 0.048 0.000 1.691 403 N HN 0.207 nan 8.380 nan 0.000 0.572 404 F N 0.914 120.751 119.950 -0.188 0.000 2.487 404 F HA 0.280 4.807 4.527 0.000 0.000 0.364 404 F C 0.618 176.030 175.800 -0.648 0.000 1.126 404 F CA -0.245 57.340 58.000 -0.691 0.000 1.135 404 F CB 0.431 39.008 39.000 -0.705 0.000 1.127 404 F HN 0.627 nan 8.300 nan 0.000 0.559 405 E N 7.525 127.198 120.200 -0.879 0.000 2.232 405 E HA 0.189 4.540 4.350 0.001 0.000 0.296 405 E C -0.323 175.857 176.600 -0.701 0.000 1.372 405 E CA -0.201 55.832 56.400 -0.611 0.000 1.527 405 E CB -0.523 29.094 29.700 -0.138 0.000 1.424 405 E HN 0.720 nan 8.360 nan 0.000 0.485 406 W N 0.901 121.616 121.300 -0.976 0.000 1.922 406 W HA -0.461 4.199 4.660 0.000 0.000 0.275 406 W C 1.710 178.004 176.519 -0.374 0.000 1.129 406 W CA 0.669 57.592 57.345 -0.704 0.000 1.077 406 W CB -1.593 27.654 29.460 -0.354 0.000 0.883 406 W HN 0.318 nan 8.180 nan 0.000 0.546 407 A N 0.190 123.282 122.820 0.453 0.000 2.216 407 A HA -0.108 4.212 4.320 0.001 0.000 0.214 407 A C 1.542 179.218 177.584 0.152 0.000 1.160 407 A CA 1.842 54.129 52.037 0.417 0.000 0.725 407 A CB -0.552 18.782 19.000 0.556 0.000 0.784 407 A HN 0.460 nan 8.150 nan 0.000 0.472 408 E N -0.567 119.646 120.200 0.022 0.000 2.478 408 E HA 0.210 4.560 4.350 0.001 0.000 0.194 408 E C 1.486 177.977 176.600 -0.181 0.000 1.045 408 E CA 0.559 56.933 56.400 -0.044 0.000 0.868 408 E CB -0.356 29.330 29.700 -0.024 0.000 0.885 408 E HN 0.623 nan 8.360 nan 0.000 0.505 409 G N 1.463 109.999 108.800 -0.440 0.000 2.574 409 G HA2 -0.357 3.603 3.960 0.001 0.000 0.282 409 G HA3 -0.357 3.603 3.960 0.001 0.000 0.282 409 G C 0.374 174.909 174.900 -0.609 0.000 1.257 409 G CA 0.498 45.223 45.100 -0.624 0.000 0.956 409 G HN 0.319 nan 8.290 nan 0.000 0.560 410 Y N 1.711 121.943 120.300 -0.114 0.000 2.529 410 Y HA 0.245 4.795 4.550 0.000 0.000 0.290 410 Y C 2.950 178.835 175.900 -0.026 0.000 1.177 410 Y CA 1.220 59.250 58.100 -0.116 0.000 1.305 410 Y CB 0.010 38.273 38.460 -0.328 0.000 1.047 410 Y HN 0.607 nan 8.280 nan 0.000 0.522 411 S N -0.811 114.912 115.700 0.037 0.000 2.515 411 S HA -0.018 4.452 4.470 0.001 0.000 0.231 411 S C 0.506 175.106 174.600 -0.000 0.000 0.987 411 S CA 0.351 58.571 58.200 0.033 0.000 0.936 411 S CB -0.082 63.122 63.200 0.006 0.000 0.766 411 S HN -0.011 nan 8.310 nan 0.000 0.528 412 K N 1.852 122.246 120.400 -0.011 0.000 2.413 412 K HA 0.414 4.735 4.320 0.001 0.000 0.257 412 K C -0.974 175.634 176.600 0.013 0.000 0.946 412 K CA -0.195 56.059 56.287 -0.055 0.000 0.823 412 K CB 1.701 34.165 32.500 -0.060 0.000 1.109 412 K HN 0.252 nan 8.250 nan 0.000 0.427 413 R N 2.595 123.044 120.500 -0.084 0.000 2.246 413 R HA 0.329 4.669 4.340 0.001 0.000 0.332 413 R C 0.136 176.366 176.300 -0.115 0.000 0.974 413 R CA -0.242 55.847 56.100 -0.019 0.000 0.837 413 R CB 0.441 30.731 30.300 -0.016 0.000 1.145 413 R HN 0.498 nan 8.270 nan 0.000 0.467 414 F N 0.330 120.287 119.950 0.012 0.000 2.678 414 F HA 0.225 4.752 4.527 0.000 0.000 0.305 414 F C 1.652 177.440 175.800 -0.020 0.000 1.090 414 F CA -0.320 57.708 58.000 0.046 0.000 1.272 414 F CB 0.836 39.975 39.000 0.231 0.000 1.060 414 F HN 0.592 nan 8.300 nan 0.000 0.576 415 G N 0.931 109.782 108.800 0.085 0.000 2.569 415 G HA2 0.282 4.242 3.960 0.001 0.000 0.249 415 G HA3 0.282 4.242 3.960 0.001 0.000 0.249 415 G C 1.002 175.914 174.900 0.019 0.000 1.216 415 G CA -0.373 44.723 45.100 -0.006 0.000 0.845 415 G HN 0.424 nan 8.290 nan 0.000 0.568 416 I N -1.473 119.092 120.570 -0.007 0.000 3.728 416 I HA 0.298 4.468 4.170 0.001 0.000 0.307 416 I C -0.306 175.791 176.117 -0.034 0.000 1.276 416 I CA -0.082 61.222 61.300 0.007 0.000 1.285 416 I CB 0.159 38.175 38.000 0.026 0.000 1.038 416 I HN 0.008 nan 8.210 nan 0.000 0.445 417 V N 1.289 121.176 119.914 -0.044 0.000 2.487 417 V HA 0.291 4.412 4.120 0.001 0.000 0.298 417 V C -0.836 175.244 176.094 -0.022 0.000 1.028 417 V CA -0.710 61.559 62.300 -0.053 0.000 0.860 417 V CB 1.387 33.163 31.823 -0.079 0.000 0.991 417 V HN 0.193 nan 8.190 nan 0.000 0.427 418 Y N 4.699 124.927 120.300 -0.120 0.000 2.359 418 Y HA 0.495 5.046 4.550 0.001 0.000 0.330 418 Y C -0.086 175.705 175.900 -0.183 0.000 1.143 418 Y CA 0.103 58.123 58.100 -0.133 0.000 1.318 418 Y CB 1.247 39.635 38.460 -0.119 0.000 1.234 418 Y HN 0.411 nan 8.280 nan 0.000 0.522 419 V N 6.483 125.995 119.914 -0.671 0.000 2.378 419 V HA 0.138 4.259 4.120 0.001 0.000 0.288 419 V C -0.653 174.882 176.094 -0.931 0.000 1.016 419 V CA -1.036 60.874 62.300 -0.650 0.000 0.840 419 V CB 1.402 32.805 31.823 -0.698 0.000 0.994 419 V HN 0.708 nan 8.190 nan 0.000 0.431 420 D N 3.636 123.804 120.400 -0.387 0.000 2.352 420 D HA 0.149 4.789 4.640 0.001 0.000 0.245 420 D C 0.470 176.609 176.300 -0.268 0.000 1.224 420 D CA -0.058 53.816 54.000 -0.210 0.000 0.879 420 D CB 0.871 41.699 40.800 0.048 0.000 1.057 420 D HN 0.488 nan 8.370 nan 0.000 0.491 421 Y N 1.631 121.860 120.300 -0.118 0.000 2.497 421 Y HA -0.155 4.395 4.550 0.001 0.000 0.292 421 Y C 2.629 178.465 175.900 -0.107 0.000 1.137 421 Y CA 0.993 59.000 58.100 -0.155 0.000 1.285 421 Y CB -0.335 37.976 38.460 -0.249 0.000 0.991 421 Y HN 0.448 nan 8.280 nan 0.000 0.556 422 S N -1.380 114.356 115.700 0.060 0.000 2.428 422 S HA -0.129 4.341 4.470 0.001 0.000 0.230 422 S C 1.751 176.359 174.600 0.013 0.000 1.014 422 S CA 1.442 59.661 58.200 0.032 0.000 0.957 422 S CB -0.770 62.449 63.200 0.031 0.000 0.784 422 S HN 0.515 nan 8.310 nan 0.000 0.499 423 T N -3.763 110.792 114.554 0.000 0.000 2.975 423 T HA 0.280 4.630 4.350 0.001 0.000 0.257 423 T C 0.540 175.228 174.700 -0.020 0.000 1.003 423 T CA 0.174 62.269 62.100 -0.009 0.000 0.932 423 T CB 0.077 68.939 68.868 -0.009 0.000 1.087 423 T HN 0.154 nan 8.240 nan 0.000 0.512 424 Q N 0.129 119.908 119.800 -0.034 0.000 2.416 424 Q HA -0.162 4.179 4.340 0.001 0.000 0.235 424 Q C 0.056 176.018 176.000 -0.063 0.000 0.773 424 Q CA 0.916 56.689 55.803 -0.050 0.000 1.286 424 Q CB -1.724 27.004 28.738 -0.017 0.000 1.556 424 Q HN 0.747 nan 8.270 nan 0.000 0.650 425 K N 1.317 121.685 120.400 -0.053 0.000 2.448 425 K HA 0.169 4.489 4.320 0.001 0.000 0.278 425 K C -0.142 176.430 176.600 -0.046 0.000 1.009 425 K CA 0.143 56.407 56.287 -0.039 0.000 0.995 425 K CB 0.475 32.965 32.500 -0.016 0.000 0.917 425 K HN -0.084 nan 8.250 nan 0.000 0.481 426 R N 3.637 124.113 120.500 -0.040 0.000 2.346 426 R HA 0.431 4.772 4.340 0.001 0.000 0.311 426 R C -0.703 175.591 176.300 -0.010 0.000 0.983 426 R CA -0.274 55.804 56.100 -0.036 0.000 0.880 426 R CB 0.881 31.149 30.300 -0.053 0.000 1.100 426 R HN 0.512 nan 8.270 nan 0.000 0.453 427 I N 2.918 123.501 120.570 0.021 0.000 2.439 427 I HA 0.239 4.410 4.170 0.001 0.000 0.283 427 I C -0.490 175.602 176.117 -0.043 0.000 1.023 427 I CA -1.114 60.184 61.300 -0.003 0.000 1.100 427 I CB 2.004 39.992 38.000 -0.019 0.000 1.238 427 I HN 0.199 nan 8.210 nan 0.000 0.445 428 V N 6.926 126.768 119.914 -0.120 0.000 2.540 428 V HA 0.022 4.143 4.120 0.001 0.000 0.297 428 V C 0.700 176.613 176.094 -0.302 0.000 1.024 428 V CA -0.091 62.031 62.300 -0.297 0.000 1.105 428 V CB -0.044 31.416 31.823 -0.606 0.000 0.938 428 V HN 0.655 nan 8.190 nan 0.000 0.482 429 K N 3.253 123.526 120.400 -0.211 0.000 2.107 429 K HA 0.201 4.521 4.320 0.001 0.000 0.251 429 K C 0.611 177.167 176.600 -0.073 0.000 1.012 429 K CA -0.727 55.498 56.287 -0.104 0.000 0.920 429 K CB 0.521 33.009 32.500 -0.019 0.000 1.033 429 K HN 0.509 nan 8.250 nan 0.000 0.478 430 D N 0.664 121.106 120.400 0.070 0.000 2.158 430 D HA -0.191 4.450 4.640 0.001 0.000 0.197 430 D C 1.905 178.344 176.300 0.232 0.000 0.995 430 D CA 1.880 56.017 54.000 0.229 0.000 0.846 430 D CB -0.258 40.660 40.800 0.197 0.000 0.941 430 D HN 0.579 nan 8.370 nan 0.000 0.456 431 S N -0.405 115.379 115.700 0.140 0.000 2.382 431 S HA -0.086 4.384 4.470 0.001 0.000 0.228 431 S C 2.254 177.031 174.600 0.295 0.000 1.027 431 S CA 1.287 59.607 58.200 0.200 0.000 0.991 431 S CB -0.900 62.365 63.200 0.108 0.000 0.823 431 S HN 0.277 nan 8.310 nan 0.000 0.469 432 G N 0.283 109.150 108.800 0.110 0.000 2.418 432 G HA2 -0.106 3.855 3.960 0.001 0.000 0.217 432 G HA3 -0.106 3.855 3.960 0.001 0.000 0.217 432 G C 1.213 176.166 174.900 0.089 0.000 1.158 432 G CA 0.856 45.987 45.100 0.052 0.000 0.771 432 G HN 0.542 nan 8.290 nan 0.000 0.545 433 Y N -0.785 119.615 120.300 0.167 0.000 2.145 433 Y HA -0.065 4.486 4.550 0.001 0.000 0.286 433 Y C 2.485 178.470 175.900 0.143 0.000 1.145 433 Y CA 0.606 58.778 58.100 0.119 0.000 1.148 433 Y CB -0.913 37.606 38.460 0.098 0.000 0.981 433 Y HN 0.401 nan 8.280 nan 0.000 0.507 434 W N -0.501 120.920 121.300 0.202 0.000 2.335 434 W HA -0.344 4.317 4.660 0.001 0.000 0.311 434 W C 2.380 178.959 176.519 0.099 0.000 1.213 434 W CA 2.188 59.606 57.345 0.123 0.000 1.274 434 W CB -0.955 28.577 29.460 0.120 0.000 1.148 434 W HN 0.175 nan 8.180 nan 0.000 0.498 435 Y N 0.828 121.221 120.300 0.155 0.000 2.242 435 Y HA -0.193 4.357 4.550 0.001 0.000 0.291 435 Y C 2.823 178.545 175.900 -0.296 0.000 1.137 435 Y CA 2.118 60.133 58.100 -0.140 0.000 1.181 435 Y CB -1.196 37.359 38.460 0.160 0.000 0.989 435 Y HN -0.006 nan 8.280 nan 0.000 0.527 436 S N -0.052 115.557 115.700 -0.152 0.000 2.383 436 S HA -0.253 4.217 4.470 0.001 0.000 0.229 436 S C 2.101 176.495 174.600 -0.342 0.000 1.030 436 S CA 1.709 59.768 58.200 -0.236 0.000 1.002 436 S CB -0.714 62.464 63.200 -0.036 0.000 0.829 436 S HN 0.741 nan 8.310 nan 0.000 0.467 437 N N 0.065 118.561 118.700 -0.340 0.000 2.171 437 N HA -0.087 4.653 4.740 0.001 0.000 0.184 437 N C 1.736 176.916 175.510 -0.550 0.000 1.021 437 N CA 1.446 54.274 53.050 -0.370 0.000 0.854 437 N CB -0.091 38.211 38.487 -0.308 0.000 0.994 437 N HN 0.300 nan 8.380 nan 0.000 0.426 438 V N 1.223 120.646 119.914 -0.818 0.000 2.282 438 V HA -0.222 3.899 4.120 0.001 0.000 0.249 438 V C 2.475 177.904 176.094 -1.109 0.000 1.057 438 V CA 1.366 63.065 62.300 -1.002 0.000 1.032 438 V CB -0.478 30.585 31.823 -1.266 0.000 0.645 438 V HN 0.162 nan 8.190 nan 0.000 0.447 439 V N -0.225 118.983 119.914 -1.177 0.000 2.295 439 V HA -0.294 3.827 4.120 0.001 0.000 0.246 439 V C 2.422 178.189 176.094 -0.545 0.000 1.049 439 V CA 2.377 64.013 62.300 -1.108 0.000 1.024 439 V CB -0.727 30.617 31.823 -0.799 0.000 0.648 439 V HN 0.549 nan 8.190 nan 0.000 0.447 440 K N 0.354 120.514 120.400 -0.399 0.000 2.074 440 K HA -0.245 4.076 4.320 0.001 0.000 0.209 440 K C 1.737 178.223 176.600 -0.190 0.000 1.048 440 K CA 2.062 58.212 56.287 -0.228 0.000 0.926 440 K CB -0.185 32.199 32.500 -0.194 0.000 0.713 440 K HN 0.422 nan 8.250 nan 0.000 0.444 441 N N 1.205 119.753 118.700 -0.254 0.000 2.461 441 N HA -0.097 4.644 4.740 0.001 0.000 0.188 441 N C -0.074 175.369 175.510 -0.112 0.000 1.134 441 N CA 0.459 53.402 53.050 -0.178 0.000 0.878 441 N CB -0.294 38.065 38.487 -0.213 0.000 0.972 441 N HN 0.265 nan 8.380 nan 0.000 0.456 442 N N -0.117 118.504 118.700 -0.132 0.000 2.721 442 N HA -0.186 4.555 4.740 0.001 0.000 0.249 442 N C 0.033 175.656 175.510 0.189 0.000 1.072 442 N CA 1.160 54.283 53.050 0.121 0.000 0.710 442 N CB -1.059 37.582 38.487 0.256 0.000 0.993 442 N HN 0.529 nan 8.380 nan 0.000 0.547 443 G N -2.421 106.303 108.800 -0.127 0.000 2.352 443 G HA2 0.296 4.257 3.960 0.001 0.000 0.283 443 G HA3 0.296 4.257 3.960 0.001 0.000 0.283 443 G C -1.195 173.591 174.900 -0.190 0.000 1.308 443 G CA -0.446 44.665 45.100 0.018 0.000 0.892 443 G HN 0.245 nan 8.290 nan 0.000 0.504 444 L N 0.579 121.743 121.223 -0.098 0.000 2.400 444 L HA 0.818 5.158 4.340 0.001 0.000 0.264 444 L C 0.618 177.402 176.870 -0.142 0.000 1.061 444 L CA -0.770 53.988 54.840 -0.136 0.000 0.799 444 L CB 1.660 43.689 42.059 -0.050 0.000 1.240 444 L HN 0.977 nan 8.230 nan 0.000 0.461 445 E N 0.000 120.139 120.200 -0.101 0.000 2.725 445 E HA 0.000 4.350 4.350 0.001 0.000 0.291 445 E CA 0.000 56.347 56.400 -0.088 0.000 0.976 445 E CB 0.000 29.649 29.700 -0.086 0.000 0.812 445 E HN 0.000 nan 8.360 nan 0.000 0.440