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 4tf4_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPAFNYAEAL QKSMFFYEAQ RSGKLPENNR VSWRGDSGLN DGADVGLDLT DATA SEQUENCE GGWYDAGDHV KFGFPMAFTA TMLAWGAIES PEGYIRSGQM PYLKDNLRWV DATA SEQUENCE NDYFIKAHPS PNVLYVQVGD GDADHKWWGP AEVMPMERPS FKVDPScPGS DATA SEQUENCE DVAAETAAAM AASSIVFADD DPAYAATLVQ HAKQLYTFAD TYRGVYSDcV DATA SEQUENCE PAGAFYNSWS GYQDELVWGA YWLYKATGDD SYLAKAEYEY DFLSTEQQTD DATA SEQUENCE LRSYRWTIAW DDKSYGTYVL LAKETGKQKY IDDANRWLDY WTVGVNGQRV DATA SEQUENCE PYSPGGMAVL DTWGALRYAA NTAFVALVYA KVIDDPVRKQ RYHDFAVRQI DATA SEQUENCE NYALGDNPRN SSYVVGFGNN PPRNPHHRTA HGSWTDSIAS PAENRHVLYG DATA SEQUENCE ALVGGPGSPN DAYTDDRQDY VANEVATDYN AGFSSALAML VEEYGGTPLA DATA SEQUENCE DFPPTEEPDG PEIFVEAQIN TPGTTFTEIK AMIRNQSGWP ARMLDKGTFR DATA SEQUENCE YWFTLDEGVD PADITVSSAY NQcATPEDVH HVSGDLYYVE IDcTGEKIFP DATA SEQUENCE GGQSEHRREV QFRIAGGPGW DPSNDWSFQG IGNELAPAPY IVLYDDGVPV DATA SEQUENCE WGTAP 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.588 176.600 -0.020 0.000 1.382 1 E CA 0.000 56.403 56.400 0.005 0.000 0.976 1 E CB 0.000 29.681 29.700 -0.031 0.000 0.812 2 P HA 0.230 nan 4.420 nan 0.000 0.269 2 P C 0.414 177.557 177.300 -0.262 0.000 1.215 2 P CA -0.163 62.872 63.100 -0.108 0.000 0.780 2 P CB 0.724 32.346 31.700 -0.130 0.000 0.898 3 A N 1.946 124.576 122.820 -0.316 0.000 1.933 3 A HA 0.002 4.321 4.320 -0.001 0.000 0.218 3 A C 0.643 177.711 177.584 -0.860 0.000 1.175 3 A CA 1.061 52.797 52.037 -0.502 0.000 0.628 3 A CB -0.640 18.142 19.000 -0.364 0.000 0.814 3 A HN 0.535 nan 8.150 nan 0.000 0.444 4 F N -2.073 117.629 119.950 -0.414 0.000 2.599 4 F HA 0.377 4.903 4.527 -0.001 0.000 0.311 4 F C 0.001 175.465 175.800 -0.560 0.000 1.076 4 F CA -1.356 56.450 58.000 -0.324 0.000 0.937 4 F CB 1.074 39.998 39.000 -0.127 0.000 1.282 4 F HN -0.073 nan 8.300 nan 0.000 0.460 5 N N 1.792 120.496 118.700 0.007 0.000 2.549 5 N HA 0.006 4.745 4.740 -0.001 0.000 0.267 5 N C 0.511 176.014 175.510 -0.010 0.000 1.182 5 N CA 0.279 53.311 53.050 -0.029 0.000 1.019 5 N CB -0.129 38.416 38.487 0.098 0.000 1.380 5 N HN 0.463 nan 8.380 nan 0.000 0.505 6 Y N 1.772 122.117 120.300 0.075 0.000 2.274 6 Y HA -0.129 4.421 4.550 -0.001 0.000 0.290 6 Y C 2.256 178.084 175.900 -0.121 0.000 1.145 6 Y CA 1.167 59.231 58.100 -0.060 0.000 1.203 6 Y CB -0.803 37.637 38.460 -0.033 0.000 0.984 6 Y HN 0.600 nan 8.280 nan 0.000 0.533 7 A N 0.062 122.928 122.820 0.075 0.000 1.902 7 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 7 A C 2.267 179.823 177.584 -0.046 0.000 1.181 7 A CA 1.863 53.902 52.037 0.003 0.000 0.623 7 A CB -0.706 18.307 19.000 0.022 0.000 0.818 7 A HN 0.537 nan 8.150 nan 0.000 0.443 8 E N -0.137 120.047 120.200 -0.027 0.000 2.047 8 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 8 E C 2.197 178.694 176.600 -0.171 0.000 0.987 8 E CA 0.992 57.358 56.400 -0.057 0.000 0.799 8 E CB -0.286 29.492 29.700 0.130 0.000 0.752 8 E HN 0.501 nan 8.360 nan 0.000 0.449 9 A N 1.376 123.991 122.820 -0.341 0.000 1.892 9 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 9 A C 2.178 179.611 177.584 -0.252 0.000 1.188 9 A CA 1.604 53.297 52.037 -0.574 0.000 0.631 9 A CB -0.841 17.703 19.000 -0.760 0.000 0.822 9 A HN 0.408 nan 8.150 nan 0.000 0.447 10 L N 0.025 121.126 121.223 -0.204 0.000 2.012 10 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 10 L C 2.589 179.446 176.870 -0.022 0.000 1.073 10 L CA 2.798 57.557 54.840 -0.135 0.000 0.748 10 L CB -0.974 40.968 42.059 -0.196 0.000 0.891 10 L HN 0.656 nan 8.230 nan 0.000 0.431 11 Q N -0.570 119.192 119.800 -0.063 0.000 2.152 11 Q HA -0.274 4.066 4.340 -0.001 0.000 0.206 11 Q C 2.095 178.071 176.000 -0.039 0.000 0.985 11 Q CA 2.166 57.936 55.803 -0.055 0.000 0.863 11 Q CB -0.074 28.551 28.738 -0.188 0.000 0.904 11 Q HN 0.571 nan 8.270 nan 0.000 0.422 12 K N -0.247 120.087 120.400 -0.111 0.000 2.116 12 K HA -0.046 4.273 4.320 -0.001 0.000 0.203 12 K C 2.331 179.133 176.600 0.336 0.000 1.052 12 K CA 0.945 57.283 56.287 0.086 0.000 0.952 12 K CB -0.125 32.394 32.500 0.032 0.000 0.729 12 K HN 0.090 nan 8.250 nan 0.000 0.446 13 S N 0.930 116.775 115.700 0.241 0.000 2.365 13 S HA -0.162 4.308 4.470 -0.001 0.000 0.225 13 S C 2.006 176.892 174.600 0.476 0.000 1.039 13 S CA 1.204 59.604 58.200 0.333 0.000 1.033 13 S CB -0.049 63.318 63.200 0.278 0.000 0.887 13 S HN 0.134 nan 8.310 nan 0.000 0.447 14 M N 0.146 119.996 119.600 0.416 0.000 2.159 14 M HA -0.026 4.453 4.480 -0.001 0.000 0.263 14 M C 1.984 178.489 176.300 0.341 0.000 1.063 14 M CA 1.261 56.809 55.300 0.414 0.000 1.110 14 M CB -1.574 31.228 32.600 0.337 0.000 1.374 14 M HN 0.542 nan 8.290 nan 0.000 0.411 15 F N 0.951 121.030 119.950 0.215 0.000 2.134 15 F HA -0.268 4.259 4.527 -0.001 0.000 0.299 15 F C 2.267 178.147 175.800 0.134 0.000 1.097 15 F CA 1.370 59.468 58.000 0.162 0.000 1.264 15 F CB -0.570 38.628 39.000 0.331 0.000 1.001 15 F HN 0.079 nan 8.300 nan 0.000 0.479 16 F N 0.407 120.455 119.950 0.164 0.000 2.065 16 F HA -0.302 4.225 4.527 -0.001 0.000 0.298 16 F C 1.978 177.597 175.800 -0.302 0.000 1.112 16 F CA 1.955 59.912 58.000 -0.072 0.000 1.212 16 F CB -1.405 37.542 39.000 -0.088 0.000 0.975 16 F HN 0.050 nan 8.300 nan 0.000 0.476 17 Y N 0.703 120.719 120.300 -0.473 0.000 2.241 17 Y HA -0.230 4.319 4.550 -0.001 0.000 0.286 17 Y C 2.678 178.202 175.900 -0.626 0.000 1.166 17 Y CA 1.988 59.640 58.100 -0.747 0.000 1.203 17 Y CB -0.915 37.269 38.460 -0.460 0.000 0.977 17 Y HN 0.314 nan 8.280 nan 0.000 0.529 18 E N -0.381 119.611 120.200 -0.346 0.000 2.152 18 E HA -0.138 4.212 4.350 -0.001 0.000 0.192 18 E C 2.237 178.476 176.600 -0.602 0.000 0.983 18 E CA 0.741 56.873 56.400 -0.447 0.000 0.818 18 E CB -0.137 29.304 29.700 -0.431 0.000 0.758 18 E HN 0.411 nan 8.360 nan 0.000 0.467 19 A N 0.413 122.808 122.820 -0.708 0.000 2.066 19 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 19 A C 1.878 179.213 177.584 -0.414 0.000 1.157 19 A CA 0.686 52.313 52.037 -0.682 0.000 0.670 19 A CB -0.039 18.580 19.000 -0.636 0.000 0.804 19 A HN 0.172 nan 8.150 nan 0.000 0.453 20 Q N 0.010 119.531 119.800 -0.465 0.000 2.403 20 Q HA 0.090 4.429 4.340 -0.001 0.000 0.203 20 Q C 0.222 176.160 176.000 -0.103 0.000 0.932 20 Q CA 0.126 55.772 55.803 -0.261 0.000 0.945 20 Q CB 0.047 28.435 28.738 -0.583 0.000 1.045 20 Q HN 0.618 nan 8.270 nan 0.000 0.511 21 R N 0.345 120.724 120.500 -0.201 0.000 2.734 21 R HA 0.200 4.539 4.340 -0.001 0.000 0.266 21 R C 0.201 176.388 176.300 -0.188 0.000 1.044 21 R CA 0.299 56.288 56.100 -0.184 0.000 1.128 21 R CB 0.559 30.472 30.300 -0.645 0.000 1.010 21 R HN -0.095 nan 8.270 nan 0.000 0.461 22 S N -0.215 115.408 115.700 -0.127 0.000 2.634 22 S HA 0.777 5.246 4.470 -0.001 0.000 0.296 22 S C -0.341 174.310 174.600 0.083 0.000 1.104 22 S CA 0.284 58.327 58.200 -0.262 0.000 0.920 22 S CB 1.754 64.474 63.200 -0.799 0.000 1.111 22 S HN 0.940 nan 8.310 nan 0.000 0.493 23 G N 2.395 111.225 108.800 0.050 0.000 2.582 23 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.222 23 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.222 23 G C -0.893 174.081 174.900 0.122 0.000 1.311 23 G CA -0.361 44.783 45.100 0.074 0.000 0.915 23 G HN 0.833 nan 8.290 nan 0.000 0.528 24 K N 0.619 121.079 120.400 0.101 0.000 2.315 24 K HA 0.443 4.763 4.320 -0.001 0.000 0.291 24 K C 0.864 177.584 176.600 0.201 0.000 1.074 24 K CA -0.392 55.954 56.287 0.099 0.000 0.936 24 K CB -0.255 32.272 32.500 0.044 0.000 1.049 24 K HN 0.435 nan 8.250 nan 0.000 0.471 25 L N 6.347 127.649 121.223 0.132 0.000 2.456 25 L HA 0.185 4.524 4.340 -0.001 0.000 0.272 25 L C -1.739 175.179 176.870 0.080 0.000 1.189 25 L CA -1.918 52.971 54.840 0.082 0.000 0.846 25 L CB 0.087 42.109 42.059 -0.061 0.000 1.111 25 L HN 0.550 nan 8.230 nan 0.000 0.475 26 P HA 0.057 nan 4.420 nan 0.000 0.273 26 P C 0.371 177.686 177.300 0.024 0.000 1.250 26 P CA -0.469 62.674 63.100 0.072 0.000 0.793 26 P CB 0.581 32.332 31.700 0.086 0.000 1.011 27 E N 0.800 121.017 120.200 0.027 0.000 2.150 27 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 27 E C 1.131 177.739 176.600 0.014 0.000 0.985 27 E CA 1.340 57.752 56.400 0.018 0.000 0.814 27 E CB -0.607 29.105 29.700 0.021 0.000 0.752 27 E HN 0.574 nan 8.360 nan 0.000 0.466 28 N N 1.278 119.989 118.700 0.018 0.000 2.515 28 N HA -0.117 4.622 4.740 -0.001 0.000 0.191 28 N C 0.405 175.916 175.510 0.002 0.000 1.182 28 N CA -0.002 53.062 53.050 0.023 0.000 0.879 28 N CB -0.402 38.111 38.487 0.044 0.000 0.984 28 N HN -0.119 nan 8.380 nan 0.000 0.453 29 N N 1.499 120.178 118.700 -0.035 0.000 2.223 29 N HA -0.115 4.624 4.740 -0.001 0.000 0.271 29 N C 0.531 175.993 175.510 -0.080 0.000 1.315 29 N CA 0.352 53.344 53.050 -0.095 0.000 0.835 29 N CB 0.507 38.920 38.487 -0.122 0.000 1.066 29 N HN 0.286 nan 8.380 nan 0.000 0.486 30 R N 2.064 122.502 120.500 -0.104 0.000 2.246 30 R HA 0.099 4.438 4.340 -0.001 0.000 0.199 30 R C -0.081 176.202 176.300 -0.029 0.000 0.984 30 R CA 0.326 56.401 56.100 -0.041 0.000 1.015 30 R CB 0.380 30.683 30.300 0.006 0.000 0.930 30 R HN 0.316 nan 8.270 nan 0.000 0.475 31 V N 2.560 122.332 119.914 -0.237 0.000 2.322 31 V HA -0.004 4.115 4.120 -0.001 0.000 0.258 31 V C 1.381 177.261 176.094 -0.356 0.000 1.074 31 V CA 0.011 62.062 62.300 -0.415 0.000 0.909 31 V CB 1.030 32.298 31.823 -0.925 0.000 1.090 31 V HN 0.279 nan 8.190 nan 0.000 0.486 32 S N 4.348 119.994 115.700 -0.089 0.000 2.442 32 S HA -0.156 4.313 4.470 -0.001 0.000 0.236 32 S C 1.248 175.898 174.600 0.082 0.000 1.007 32 S CA 1.013 59.248 58.200 0.058 0.000 0.965 32 S CB -0.255 63.084 63.200 0.231 0.000 0.773 32 S HN 0.919 nan 8.310 nan 0.000 0.504 33 W N 0.964 122.204 121.300 -0.100 0.000 3.353 33 W HA 0.502 5.162 4.660 -0.001 0.000 0.304 33 W C -0.176 176.177 176.519 -0.276 0.000 1.273 33 W CA -0.919 56.214 57.345 -0.353 0.000 1.773 33 W CB -0.496 28.323 29.460 -1.069 0.000 1.095 33 W HN 0.019 nan 8.180 nan 0.000 0.676 34 R N 1.171 121.445 120.500 -0.377 0.000 2.445 34 R HA 0.589 4.928 4.340 -0.001 0.000 0.308 34 R C 0.237 176.448 176.300 -0.150 0.000 0.961 34 R CA -0.225 55.690 56.100 -0.308 0.000 0.862 34 R CB 1.648 31.638 30.300 -0.516 0.000 1.144 34 R HN 0.101 nan 8.270 nan 0.000 0.447 35 G N 0.640 109.402 108.800 -0.064 0.000 3.108 35 G HA2 0.322 4.282 3.960 -0.001 0.000 0.268 35 G HA3 0.322 4.282 3.960 -0.001 0.000 0.268 35 G C -0.912 173.982 174.900 -0.009 0.000 1.361 35 G CA -0.527 44.560 45.100 -0.021 0.000 1.047 35 G HN 0.354 nan 8.290 nan 0.000 0.540 36 D N 0.246 120.651 120.400 0.009 0.000 2.399 36 D HA 0.430 5.070 4.640 -0.001 0.000 0.241 36 D C 0.532 176.847 176.300 0.024 0.000 1.133 36 D CA 0.735 54.748 54.000 0.021 0.000 0.890 36 D CB 1.372 42.184 40.800 0.020 0.000 1.201 36 D HN 0.545 nan 8.370 nan 0.000 0.432 37 S N -1.718 114.006 115.700 0.041 0.000 2.587 37 S HA 0.553 5.022 4.470 -0.001 0.000 0.269 37 S C 0.443 175.080 174.600 0.062 0.000 1.154 37 S CA -0.439 57.790 58.200 0.048 0.000 0.824 37 S CB 1.514 64.770 63.200 0.093 0.000 1.118 37 S HN 0.750 nan 8.310 nan 0.000 0.462 38 G N 0.496 109.325 108.800 0.049 0.000 2.356 38 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.296 38 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.296 38 G C 0.435 175.337 174.900 0.003 0.000 1.022 38 G CA 0.565 45.690 45.100 0.042 0.000 0.961 38 G HN 0.974 nan 8.290 nan 0.000 0.510 39 L N -1.509 119.706 121.223 -0.013 0.000 2.376 39 L HA 0.048 4.387 4.340 -0.001 0.000 0.219 39 L C 1.955 178.803 176.870 -0.037 0.000 1.133 39 L CA 1.356 56.182 54.840 -0.024 0.000 0.816 39 L CB -0.075 41.970 42.059 -0.024 0.000 0.933 39 L HN 0.349 nan 8.230 nan 0.000 0.449 40 N N -1.139 117.536 118.700 -0.042 0.000 2.273 40 N HA 0.045 4.784 4.740 -0.001 0.000 0.231 40 N C -0.741 174.736 175.510 -0.055 0.000 1.134 40 N CA -0.278 52.740 53.050 -0.052 0.000 0.856 40 N CB 0.383 38.836 38.487 -0.057 0.000 1.068 40 N HN 0.067 nan 8.380 nan 0.000 0.510 41 D N 0.203 120.577 120.400 -0.043 0.000 2.401 41 D HA 0.228 4.867 4.640 -0.001 0.000 0.254 41 D C 1.477 177.730 176.300 -0.080 0.000 1.192 41 D CA 0.924 54.900 54.000 -0.040 0.000 0.885 41 D CB 0.827 41.625 40.800 -0.003 0.000 1.147 41 D HN 0.362 nan 8.370 nan 0.000 0.478 42 G N 1.956 110.687 108.800 -0.116 0.000 2.234 42 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.235 42 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.235 42 G C 1.302 176.103 174.900 -0.164 0.000 0.997 42 G CA 0.660 45.644 45.100 -0.193 0.000 0.623 42 G HN 0.688 nan 8.290 nan 0.000 0.514 43 A N 1.713 124.464 122.820 -0.116 0.000 1.917 43 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 43 A C 2.141 179.669 177.584 -0.094 0.000 1.182 43 A CA 2.609 54.588 52.037 -0.096 0.000 0.633 43 A CB -0.672 18.282 19.000 -0.076 0.000 0.819 43 A HN 1.063 nan 8.150 nan 0.000 0.448 44 D N 0.229 120.569 120.400 -0.099 0.000 2.265 44 D HA -0.133 4.506 4.640 -0.001 0.000 0.208 44 D C 1.259 177.507 176.300 -0.087 0.000 0.977 44 D CA 1.833 55.778 54.000 -0.092 0.000 0.871 44 D CB -0.838 39.899 40.800 -0.105 0.000 0.925 44 D HN 0.704 nan 8.370 nan 0.000 0.485 45 V N -4.416 115.433 119.914 -0.109 0.000 3.085 45 V HA 0.616 4.735 4.120 -0.001 0.000 0.345 45 V C 1.318 177.353 176.094 -0.098 0.000 1.397 45 V CA -0.073 62.175 62.300 -0.087 0.000 1.165 45 V CB -0.244 31.532 31.823 -0.079 0.000 1.153 45 V HN 0.253 nan 8.190 nan 0.000 0.495 46 G N 1.107 109.849 108.800 -0.098 0.000 2.258 46 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.274 46 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.274 46 G C -0.193 174.641 174.900 -0.110 0.000 1.021 46 G CA 1.188 46.235 45.100 -0.088 0.000 0.798 46 G HN 0.626 nan 8.290 nan 0.000 0.507 47 L N -0.969 120.158 121.223 -0.159 0.000 2.309 47 L HA 0.574 4.914 4.340 -0.001 0.000 0.261 47 L C -0.567 176.197 176.870 -0.175 0.000 1.021 47 L CA -1.179 53.550 54.840 -0.185 0.000 0.823 47 L CB 1.866 43.752 42.059 -0.289 0.000 1.366 47 L HN 0.083 nan 8.230 nan 0.000 0.423 48 D N 1.900 122.207 120.400 -0.155 0.000 2.396 48 D HA 0.322 4.961 4.640 -0.001 0.000 0.225 48 D C -0.293 175.921 176.300 -0.145 0.000 1.121 48 D CA 0.030 53.952 54.000 -0.129 0.000 0.853 48 D CB 0.789 41.525 40.800 -0.107 0.000 1.043 48 D HN 0.329 nan 8.370 nan 0.000 0.500 49 L N 3.645 124.796 121.223 -0.120 0.000 3.218 49 L HA 0.181 4.521 4.340 -0.001 0.000 0.279 49 L C 0.646 177.563 176.870 0.077 0.000 1.287 49 L CA -0.413 54.393 54.840 -0.056 0.000 1.024 49 L CB 0.349 42.346 42.059 -0.103 0.000 1.409 49 L HN 0.369 nan 8.230 nan 0.000 0.580 50 T N -2.256 112.295 114.554 -0.005 0.000 2.904 50 T HA 0.734 5.084 4.350 -0.001 0.000 0.290 50 T C 0.615 175.275 174.700 -0.066 0.000 1.018 50 T CA 0.306 62.387 62.100 -0.030 0.000 1.075 50 T CB 2.230 71.063 68.868 -0.059 0.000 0.986 50 T HN 0.443 nan 8.240 nan 0.000 0.523 51 G N 0.090 108.799 108.800 -0.153 0.000 2.396 51 G HA2 0.456 4.415 3.960 -0.001 0.000 0.254 51 G HA3 0.456 4.415 3.960 -0.001 0.000 0.254 51 G C 0.198 174.798 174.900 -0.500 0.000 1.248 51 G CA 0.028 44.929 45.100 -0.333 0.000 1.033 51 G HN 2.576 nan 8.290 nan 0.000 0.502 52 G N -2.228 106.161 108.800 -0.685 0.000 2.642 52 G HA2 0.190 4.149 3.960 -0.001 0.000 0.231 52 G HA3 0.190 4.149 3.960 -0.001 0.000 0.231 52 G C -0.330 174.388 174.900 -0.303 0.000 1.338 52 G CA 0.597 45.163 45.100 -0.890 0.000 0.883 52 G HN 1.830 nan 8.290 nan 0.000 0.570 53 W N -0.915 120.186 121.300 -0.332 0.000 2.819 53 W HA 0.634 5.293 4.660 -0.001 0.000 0.337 53 W C -0.719 175.674 176.519 -0.211 0.000 1.077 53 W CA -1.583 55.628 57.345 -0.222 0.000 1.226 53 W CB 0.997 30.429 29.460 -0.046 0.000 1.419 53 W HN 0.463 nan 8.180 nan 0.000 0.502 54 Y N 1.549 121.975 120.300 0.210 0.000 2.377 54 Y HA -0.046 4.504 4.550 -0.001 0.000 0.330 54 Y C 1.635 177.631 175.900 0.159 0.000 1.108 54 Y CA 0.028 58.216 58.100 0.147 0.000 1.308 54 Y CB 0.305 38.848 38.460 0.139 0.000 1.216 54 Y HN 0.460 nan 8.280 nan 0.000 0.518 55 D N 2.045 122.665 120.400 0.367 0.000 2.087 55 D HA -0.110 4.529 4.640 -0.001 0.000 0.192 55 D C 0.996 177.443 176.300 0.244 0.000 0.993 55 D CA 2.143 56.340 54.000 0.328 0.000 0.828 55 D CB 0.352 41.454 40.800 0.504 0.000 0.968 55 D HN 0.627 nan 8.370 nan 0.000 0.448 56 A N -1.553 121.400 122.820 0.221 0.000 3.102 56 A HA 0.598 4.917 4.320 -0.001 0.000 0.183 56 A C 1.529 179.179 177.584 0.110 0.000 0.985 56 A CA 0.161 52.292 52.037 0.155 0.000 1.237 56 A CB -0.264 18.810 19.000 0.123 0.000 1.856 56 A HN 0.175 nan 8.150 nan 0.000 0.670 57 G N 0.432 109.264 108.800 0.053 0.000 2.880 57 G HA2 0.260 4.219 3.960 -0.001 0.000 0.209 57 G HA3 0.260 4.219 3.960 -0.001 0.000 0.209 57 G C 0.270 174.875 174.900 -0.492 0.000 1.157 57 G CA 1.082 46.073 45.100 -0.181 0.000 0.779 57 G HN 0.760 nan 8.290 nan 0.000 0.539 58 D N -1.016 119.200 120.400 -0.307 0.000 2.506 58 D HA 0.213 4.852 4.640 -0.001 0.000 0.272 58 D C 0.032 176.026 176.300 -0.510 0.000 1.214 58 D CA -0.582 53.169 54.000 -0.415 0.000 1.067 58 D CB 0.372 41.143 40.800 -0.049 0.000 1.117 58 D HN 0.269 nan 8.370 nan 0.000 0.578 59 H N -1.952 117.053 119.070 -0.109 0.000 2.784 59 H HA 0.321 4.876 4.556 -0.001 0.000 0.273 59 H C -0.309 175.042 175.328 0.038 0.000 1.112 59 H CA -0.480 55.405 56.048 -0.272 0.000 1.162 59 H CB 0.943 30.418 29.762 -0.478 0.000 1.586 59 H HN -0.031 nan 8.280 nan 0.000 0.548 60 V N 1.866 121.815 119.914 0.060 0.000 2.614 60 V HA 0.015 4.134 4.120 -0.001 0.000 0.291 60 V C 0.390 176.363 176.094 -0.202 0.000 1.049 60 V CA -0.192 61.982 62.300 -0.210 0.000 1.038 60 V CB 1.134 32.509 31.823 -0.746 0.000 0.980 60 V HN 0.303 nan 8.190 nan 0.000 0.481 61 K N 5.084 125.400 120.400 -0.139 0.000 2.184 61 K HA 0.359 4.679 4.320 -0.001 0.000 0.259 61 K C -0.956 175.637 176.600 -0.010 0.000 1.119 61 K CA 0.015 56.294 56.287 -0.013 0.000 0.991 61 K CB 0.051 32.552 32.500 0.002 0.000 1.522 61 K HN 0.439 nan 8.250 nan 0.000 0.405 62 F N 0.801 120.854 119.950 0.172 0.000 2.438 62 F HA 0.138 4.664 4.527 -0.001 0.000 0.360 62 F C 1.692 177.595 175.800 0.173 0.000 1.118 62 F CA -0.310 57.779 58.000 0.148 0.000 1.164 62 F CB 0.969 39.952 39.000 -0.029 0.000 1.131 62 F HN 0.597 nan 8.300 nan 0.000 0.527 63 G N 3.503 112.562 108.800 0.431 0.000 2.422 63 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.218 63 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.218 63 G C 1.618 176.738 174.900 0.367 0.000 1.146 63 G CA 0.368 45.714 45.100 0.411 0.000 0.769 63 G HN 0.525 nan 8.290 nan 0.000 0.547 64 F N 3.025 123.010 119.950 0.058 0.000 2.026 64 F HA -0.030 4.496 4.527 -0.001 0.000 0.296 64 F C 0.271 176.167 175.800 0.160 0.000 1.133 64 F CA 1.014 59.014 58.000 -0.002 0.000 1.188 64 F CB -1.173 37.763 39.000 -0.106 0.000 0.968 64 F HN 0.151 nan 8.300 nan 0.000 0.476 65 P HA -0.176 nan 4.420 nan 0.000 0.221 65 P C 2.214 179.686 177.300 0.287 0.000 1.150 65 P CA 1.476 64.564 63.100 -0.019 0.000 0.800 65 P CB -0.311 31.034 31.700 -0.593 0.000 0.787 66 M N -0.359 119.442 119.600 0.335 0.000 2.175 66 M HA -0.078 4.401 4.480 -0.001 0.000 0.264 66 M C 2.074 178.758 176.300 0.641 0.000 1.063 66 M CA 1.822 57.434 55.300 0.520 0.000 1.119 66 M CB -0.366 32.532 32.600 0.496 0.000 1.377 66 M HN -0.082 nan 8.290 nan 0.000 0.415 67 A N -0.134 123.043 122.820 0.594 0.000 1.897 67 A HA -0.187 4.132 4.320 -0.001 0.000 0.215 67 A C 1.864 179.722 177.584 0.457 0.000 1.181 67 A CA 1.235 53.571 52.037 0.498 0.000 0.620 67 A CB -1.069 18.050 19.000 0.199 0.000 0.821 67 A HN 0.605 nan 8.150 nan 0.000 0.443 68 F N 1.662 121.803 119.950 0.319 0.000 2.095 68 F HA -0.178 4.348 4.527 -0.001 0.000 0.298 68 F C 2.459 178.479 175.800 0.366 0.000 1.104 68 F CA 2.353 60.546 58.000 0.320 0.000 1.232 68 F CB -0.846 38.279 39.000 0.208 0.000 0.987 68 F HN 0.218 nan 8.300 nan 0.000 0.475 69 T N 0.876 115.643 114.554 0.356 0.000 2.665 69 T HA -0.272 4.077 4.350 -0.001 0.000 0.268 69 T C 2.216 177.040 174.700 0.206 0.000 1.035 69 T CA 1.767 64.035 62.100 0.280 0.000 1.151 69 T CB -1.049 68.105 68.868 0.477 0.000 0.862 69 T HN 0.409 nan 8.240 nan 0.000 0.438 70 A N 1.367 124.394 122.820 0.345 0.000 1.892 70 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 70 A C 2.587 180.220 177.584 0.081 0.000 1.188 70 A CA 2.358 54.550 52.037 0.259 0.000 0.631 70 A CB -1.373 17.827 19.000 0.333 0.000 0.822 70 A HN 0.516 nan 8.150 nan 0.000 0.447 71 T N -0.083 114.493 114.554 0.038 0.000 2.746 71 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 71 T C 1.967 176.635 174.700 -0.053 0.000 1.039 71 T CA 1.590 63.623 62.100 -0.112 0.000 1.142 71 T CB -0.246 68.619 68.868 -0.005 0.000 0.866 71 T HN 0.284 nan 8.240 nan 0.000 0.444 72 M N 0.682 120.249 119.600 -0.055 0.000 2.159 72 M HA 0.066 4.545 4.480 -0.001 0.000 0.263 72 M C 2.309 178.602 176.300 -0.012 0.000 1.063 72 M CA 1.245 56.572 55.300 0.045 0.000 1.110 72 M CB -1.189 31.308 32.600 -0.172 0.000 1.374 72 M HN 0.267 nan 8.290 nan 0.000 0.411 73 L N -0.485 120.714 121.223 -0.041 0.000 2.017 73 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 73 L C 2.723 179.548 176.870 -0.076 0.000 1.073 73 L CA 1.227 56.026 54.840 -0.069 0.000 0.745 73 L CB -0.867 41.142 42.059 -0.083 0.000 0.894 73 L HN 0.255 nan 8.230 nan 0.000 0.432 74 A N -0.521 122.258 122.820 -0.068 0.000 1.877 74 A HA -0.272 4.047 4.320 -0.001 0.000 0.216 74 A C 2.024 179.626 177.584 0.030 0.000 1.186 74 A CA 1.474 53.452 52.037 -0.098 0.000 0.620 74 A CB -1.107 17.792 19.000 -0.170 0.000 0.822 74 A HN 0.608 nan 8.150 nan 0.000 0.443 75 W N 0.858 122.067 121.300 -0.151 0.000 2.302 75 W HA -0.206 4.453 4.660 -0.001 0.000 0.320 75 W C 2.269 178.923 176.519 0.225 0.000 1.241 75 W CA 1.961 59.370 57.345 0.106 0.000 1.264 75 W CB -1.157 28.487 29.460 0.307 0.000 1.154 75 W HN 0.270 nan 8.180 nan 0.000 0.483 76 G N -0.154 108.703 108.800 0.096 0.000 2.450 76 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.220 76 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.220 76 G C 1.669 176.688 174.900 0.200 0.000 1.130 76 G CA 1.787 46.866 45.100 -0.034 0.000 0.760 76 G HN 0.484 nan 8.290 nan 0.000 0.557 77 A N 0.263 123.159 122.820 0.127 0.000 2.014 77 A HA 0.225 4.545 4.320 -0.001 0.000 0.218 77 A C 2.317 179.969 177.584 0.113 0.000 1.163 77 A CA 0.854 52.916 52.037 0.041 0.000 0.652 77 A CB -0.178 18.657 19.000 -0.276 0.000 0.808 77 A HN 0.390 nan 8.150 nan 0.000 0.449 78 I N -0.760 119.925 120.570 0.192 0.000 2.406 78 I HA -0.114 4.055 4.170 -0.001 0.000 0.249 78 I C 2.351 178.635 176.117 0.278 0.000 1.122 78 I CA 0.764 62.206 61.300 0.235 0.000 1.431 78 I CB -0.208 37.995 38.000 0.340 0.000 1.087 78 I HN 0.209 nan 8.210 nan 0.000 0.424 79 E N 0.284 120.695 120.200 0.352 0.000 2.028 79 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 79 E C 1.226 177.953 176.600 0.212 0.000 0.988 79 E CA 1.067 57.652 56.400 0.308 0.000 0.799 79 E CB -0.115 29.789 29.700 0.339 0.000 0.755 79 E HN 0.188 nan 8.360 nan 0.000 0.447 80 S N 1.198 117.020 115.700 0.204 0.000 2.060 80 S HA 0.199 4.668 4.470 -0.001 0.000 0.156 80 S C -1.986 172.730 174.600 0.193 0.000 1.690 80 S CA -1.422 56.870 58.200 0.155 0.000 1.238 80 S CB 0.720 63.980 63.200 0.100 0.000 1.150 80 S HN -0.128 nan 8.310 nan 0.000 0.437 81 P HA -0.107 nan 4.420 nan 0.000 0.218 81 P C 1.153 178.542 177.300 0.149 0.000 1.149 81 P CA 0.934 64.129 63.100 0.160 0.000 0.817 81 P CB 0.275 32.029 31.700 0.090 0.000 0.785 82 E N 0.150 120.412 120.200 0.103 0.000 2.110 82 E HA -0.104 4.246 4.350 -0.001 0.000 0.193 82 E C 2.353 178.989 176.600 0.060 0.000 0.988 82 E CA 1.472 57.915 56.400 0.072 0.000 0.804 82 E CB -1.196 28.534 29.700 0.050 0.000 0.745 82 E HN 0.296 nan 8.360 nan 0.000 0.458 83 G N -0.203 108.620 108.800 0.039 0.000 2.440 83 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 83 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 83 G C 1.374 176.221 174.900 -0.089 0.000 1.154 83 G CA 0.687 45.755 45.100 -0.054 0.000 0.767 83 G HN 0.265 nan 8.290 nan 0.000 0.552 84 Y N 0.402 120.711 120.300 0.014 0.000 2.314 84 Y HA 0.123 4.672 4.550 -0.001 0.000 0.293 84 Y C 2.676 178.592 175.900 0.027 0.000 1.129 84 Y CA 0.539 58.651 58.100 0.020 0.000 1.201 84 Y CB -0.043 38.421 38.460 0.006 0.000 0.999 84 Y HN 0.137 nan 8.280 nan 0.000 0.541 85 I N -0.651 120.015 120.570 0.160 0.000 2.163 85 I HA -0.293 3.877 4.170 -0.001 0.000 0.240 85 I C 2.355 178.517 176.117 0.075 0.000 1.081 85 I CA 1.231 62.591 61.300 0.100 0.000 1.353 85 I CB -0.319 37.725 38.000 0.074 0.000 1.054 85 I HN 0.022 nan 8.210 nan 0.000 0.407 86 R N 0.975 121.509 120.500 0.057 0.000 2.094 86 R HA -0.173 4.166 4.340 -0.001 0.000 0.239 86 R C 2.382 178.709 176.300 0.045 0.000 1.137 86 R CA 2.060 58.186 56.100 0.044 0.000 0.943 86 R CB -0.508 29.811 30.300 0.032 0.000 0.850 86 R HN 0.458 nan 8.270 nan 0.000 0.433 87 S N -0.725 114.996 115.700 0.035 0.000 2.603 87 S HA 0.061 4.530 4.470 -0.001 0.000 0.229 87 S C 1.379 176.029 174.600 0.084 0.000 0.972 87 S CA 0.456 58.678 58.200 0.037 0.000 0.935 87 S CB 0.129 63.323 63.200 -0.010 0.000 0.769 87 S HN 0.581 nan 8.310 nan 0.000 0.536 88 G N 1.093 109.954 108.800 0.101 0.000 2.179 88 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.257 88 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.257 88 G C 0.628 175.650 174.900 0.204 0.000 1.010 88 G CA 0.455 45.632 45.100 0.129 0.000 0.736 88 G HN 0.521 nan 8.290 nan 0.000 0.513 89 Q N -1.233 118.711 119.800 0.240 0.000 2.319 89 Q HA 0.288 4.627 4.340 -0.001 0.000 0.209 89 Q C 2.297 178.498 176.000 0.335 0.000 0.884 89 Q CA 0.680 56.712 55.803 0.381 0.000 0.938 89 Q CB -0.064 28.894 28.738 0.365 0.000 1.098 89 Q HN 0.598 nan 8.270 nan 0.000 0.517 90 M N 2.771 122.510 119.600 0.231 0.000 2.108 90 M HA -0.117 4.362 4.480 -0.001 0.000 0.257 90 M C -1.092 175.185 176.300 -0.039 0.000 1.071 90 M CA 1.868 57.223 55.300 0.090 0.000 1.093 90 M CB -1.218 31.420 32.600 0.064 0.000 1.345 90 M HN -0.004 nan 8.290 nan 0.000 0.403 91 P HA -0.153 nan 4.420 nan 0.000 0.219 91 P C 0.983 178.132 177.300 -0.252 0.000 1.150 91 P CA 1.577 64.537 63.100 -0.232 0.000 0.814 91 P CB -0.375 31.099 31.700 -0.377 0.000 0.787 92 Y N -0.151 120.204 120.300 0.091 0.000 2.286 92 Y HA -0.041 4.508 4.550 -0.001 0.000 0.293 92 Y C 2.644 178.593 175.900 0.080 0.000 1.124 92 Y CA 0.456 58.620 58.100 0.106 0.000 1.178 92 Y CB -1.529 37.022 38.460 0.153 0.000 1.010 92 Y HN -0.160 nan 8.280 nan 0.000 0.536 93 L N 0.678 121.986 121.223 0.143 0.000 1.994 93 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 93 L C 2.079 178.922 176.870 -0.046 0.000 1.071 93 L CA 1.952 56.770 54.840 -0.036 0.000 0.745 93 L CB -0.509 41.297 42.059 -0.422 0.000 0.892 93 L HN 0.011 nan 8.230 nan 0.000 0.431 94 K N -0.609 119.741 120.400 -0.083 0.000 2.103 94 K HA -0.225 4.094 4.320 -0.001 0.000 0.207 94 K C 1.885 178.627 176.600 0.238 0.000 1.048 94 K CA 1.600 57.872 56.287 -0.025 0.000 0.930 94 K CB -0.342 32.126 32.500 -0.054 0.000 0.716 94 K HN 0.433 nan 8.250 nan 0.000 0.444 95 D N 0.851 121.349 120.400 0.162 0.000 2.117 95 D HA -0.132 4.507 4.640 -0.001 0.000 0.197 95 D C 1.606 178.051 176.300 0.242 0.000 0.987 95 D CA 1.171 55.282 54.000 0.185 0.000 0.829 95 D CB -0.002 40.894 40.800 0.160 0.000 0.961 95 D HN 0.073 nan 8.370 nan 0.000 0.460 96 N N -0.060 118.787 118.700 0.244 0.000 2.106 96 N HA -0.083 4.656 4.740 -0.001 0.000 0.188 96 N C 2.061 177.779 175.510 0.346 0.000 1.029 96 N CA 0.507 53.754 53.050 0.330 0.000 0.848 96 N CB -0.427 38.227 38.487 0.280 0.000 1.007 96 N HN 0.283 nan 8.380 nan 0.000 0.423 97 L N 0.846 122.223 121.223 0.256 0.000 2.083 97 L HA -0.099 4.240 4.340 -0.001 0.000 0.209 97 L C 2.635 179.655 176.870 0.251 0.000 1.083 97 L CA 0.912 55.888 54.840 0.226 0.000 0.752 97 L CB -0.224 41.961 42.059 0.210 0.000 0.899 97 L HN 0.166 nan 8.230 nan 0.000 0.433 98 R N -0.404 120.295 120.500 0.332 0.000 2.081 98 R HA -0.234 4.106 4.340 -0.001 0.000 0.235 98 R C 2.346 178.655 176.300 0.016 0.000 1.131 98 R CA 1.522 57.684 56.100 0.103 0.000 0.960 98 R CB -0.408 29.844 30.300 -0.080 0.000 0.856 98 R HN 0.485 nan 8.270 nan 0.000 0.436 99 W N 0.534 121.760 121.300 -0.124 0.000 2.332 99 W HA -0.234 4.426 4.660 -0.001 0.000 0.321 99 W C 1.794 178.042 176.519 -0.452 0.000 1.219 99 W CA 1.816 59.024 57.345 -0.229 0.000 1.277 99 W CB -0.653 28.717 29.460 -0.150 0.000 1.161 99 W HN 0.083 nan 8.180 nan 0.000 0.476 100 V N 2.048 121.636 119.914 -0.543 0.000 2.515 100 V HA -0.273 3.847 4.120 -0.001 0.000 0.250 100 V C 2.104 177.664 176.094 -0.889 0.000 1.058 100 V CA 2.172 63.843 62.300 -1.048 0.000 1.064 100 V CB -0.682 30.122 31.823 -1.699 0.000 0.675 100 V HN 0.175 nan 8.190 nan 0.000 0.461 101 N N 0.032 118.472 118.700 -0.432 0.000 2.270 101 N HA -0.124 4.615 4.740 -0.001 0.000 0.181 101 N C 1.425 176.834 175.510 -0.167 0.000 1.016 101 N CA 1.493 54.428 53.050 -0.191 0.000 0.870 101 N CB -0.191 38.307 38.487 0.019 0.000 0.979 101 N HN 0.520 nan 8.380 nan 0.000 0.431 102 D N 0.170 120.453 120.400 -0.195 0.000 2.117 102 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 102 D C 1.754 177.909 176.300 -0.241 0.000 0.987 102 D CA 0.701 54.583 54.000 -0.197 0.000 0.829 102 D CB -0.357 40.269 40.800 -0.292 0.000 0.961 102 D HN 0.313 nan 8.370 nan 0.000 0.460 103 Y N 0.629 120.642 120.300 -0.478 0.000 2.181 103 Y HA -0.239 4.311 4.550 -0.001 0.000 0.288 103 Y C 1.944 177.745 175.900 -0.166 0.000 1.146 103 Y CA 1.328 59.184 58.100 -0.405 0.000 1.164 103 Y CB -0.457 37.669 38.460 -0.556 0.000 0.982 103 Y HN -0.166 nan 8.280 nan 0.000 0.515 104 F N 0.239 120.040 119.950 -0.249 0.000 2.202 104 F HA -0.216 4.310 4.527 -0.001 0.000 0.301 104 F C 2.235 177.841 175.800 -0.323 0.000 1.082 104 F CA 1.003 58.835 58.000 -0.280 0.000 1.313 104 F CB -1.047 37.855 39.000 -0.162 0.000 1.024 104 F HN 0.129 nan 8.300 nan 0.000 0.495 105 I N -0.491 119.973 120.570 -0.177 0.000 2.286 105 I HA -0.254 3.916 4.170 -0.001 0.000 0.245 105 I C 2.282 178.300 176.117 -0.164 0.000 1.104 105 I CA 1.065 62.166 61.300 -0.331 0.000 1.397 105 I CB -0.502 37.296 38.000 -0.337 0.000 1.072 105 I HN -0.002 nan 8.210 nan 0.000 0.417 106 K N 1.166 121.445 120.400 -0.201 0.000 2.103 106 K HA -0.127 4.192 4.320 -0.001 0.000 0.207 106 K C 2.051 178.538 176.600 -0.188 0.000 1.048 106 K CA 1.583 57.753 56.287 -0.196 0.000 0.930 106 K CB -0.225 32.127 32.500 -0.245 0.000 0.716 106 K HN 0.312 nan 8.250 nan 0.000 0.444 107 A N 0.314 122.980 122.820 -0.257 0.000 2.235 107 A HA -0.091 4.228 4.320 -0.001 0.000 0.208 107 A C 0.545 178.209 177.584 0.135 0.000 1.172 107 A CA 0.506 52.475 52.037 -0.113 0.000 0.786 107 A CB -0.284 18.555 19.000 -0.268 0.000 0.804 107 A HN 0.306 nan 8.150 nan 0.000 0.479 108 H N 0.573 119.638 119.070 -0.009 0.000 2.439 108 H HA 0.228 4.783 4.556 -0.001 0.000 0.239 108 H C -1.988 173.388 175.328 0.080 0.000 1.432 108 H CA -1.441 54.639 56.048 0.055 0.000 1.373 108 H CB 1.088 30.920 29.762 0.116 0.000 1.463 108 H HN 0.240 nan 8.280 nan 0.000 0.530 109 P HA -0.041 nan 4.420 nan 0.000 0.233 109 P C -0.256 176.931 177.300 -0.190 0.000 1.167 109 P CA 0.470 63.521 63.100 -0.083 0.000 0.770 109 P CB 0.508 32.199 31.700 -0.015 0.000 0.837 110 S N -2.694 112.771 115.700 -0.393 0.000 2.567 110 S HA 0.375 4.844 4.470 -0.001 0.000 0.270 110 S C -2.575 171.633 174.600 -0.653 0.000 1.152 110 S CA -1.217 56.747 58.200 -0.393 0.000 0.835 110 S CB 1.552 64.604 63.200 -0.247 0.000 1.115 110 S HN -0.258 nan 8.310 nan 0.000 0.459 111 P HA -0.154 nan 4.420 nan 0.000 0.216 111 P C 0.213 177.458 177.300 -0.092 0.000 1.154 111 P CA 1.548 64.557 63.100 -0.150 0.000 0.865 111 P CB -0.269 31.414 31.700 -0.028 0.000 0.789 112 N N -0.581 117.935 118.700 -0.307 0.000 2.320 112 N HA 0.173 4.913 4.740 -0.001 0.000 0.237 112 N C -0.555 174.395 175.510 -0.934 0.000 1.129 112 N CA 0.007 52.647 53.050 -0.683 0.000 0.854 112 N CB 0.968 39.148 38.487 -0.512 0.000 1.083 112 N HN 0.056 nan 8.380 nan 0.000 0.504 113 V N 1.550 121.108 119.914 -0.593 0.000 2.569 113 V HA 0.417 4.536 4.120 -0.001 0.000 0.301 113 V C -0.961 175.006 176.094 -0.211 0.000 1.044 113 V CA -0.861 61.168 62.300 -0.451 0.000 0.874 113 V CB 2.523 34.146 31.823 -0.333 0.000 1.002 113 V HN -0.010 nan 8.190 nan 0.000 0.424 114 L N 5.579 126.708 121.223 -0.157 0.000 2.406 114 L HA 0.622 4.962 4.340 -0.001 0.000 0.272 114 L C -1.297 175.532 176.870 -0.069 0.000 0.980 114 L CA -0.229 54.633 54.840 0.037 0.000 0.831 114 L CB 1.703 43.852 42.059 0.149 0.000 1.253 114 L HN 0.555 nan 8.230 nan 0.000 0.406 115 Y N 4.361 124.691 120.300 0.049 0.000 2.393 115 Y HA 0.290 4.839 4.550 -0.001 0.000 0.338 115 Y C 1.173 177.156 175.900 0.139 0.000 1.029 115 Y CA 0.460 58.606 58.100 0.076 0.000 1.239 115 Y CB 1.376 39.847 38.460 0.019 0.000 1.170 115 Y HN 0.507 nan 8.280 nan 0.000 0.515 116 V N 0.230 120.318 119.914 0.290 0.000 3.578 116 V HA 0.280 4.400 4.120 -0.001 0.000 0.290 116 V C -0.035 176.298 176.094 0.399 0.000 1.376 116 V CA 0.193 62.685 62.300 0.321 0.000 1.083 116 V CB 0.129 32.126 31.823 0.290 0.000 0.911 116 V HN 0.769 nan 8.190 nan 0.000 0.433 117 Q N -0.105 119.951 119.800 0.425 0.000 2.403 117 Q HA 0.606 4.946 4.340 -0.001 0.000 0.267 117 Q C -2.396 173.834 176.000 0.384 0.000 0.991 117 Q CA -0.435 55.598 55.803 0.383 0.000 0.906 117 Q CB 3.040 32.007 28.738 0.383 0.000 1.422 117 Q HN 0.159 nan 8.270 nan 0.000 0.400 118 V N 2.755 122.810 119.914 0.235 0.000 2.447 118 V HA 0.906 5.025 4.120 -0.001 0.000 0.292 118 V C 0.005 176.156 176.094 0.095 0.000 1.021 118 V CA 0.363 62.764 62.300 0.168 0.000 0.850 118 V CB 1.146 33.051 31.823 0.137 0.000 1.005 118 V HN 1.001 nan 8.190 nan 0.000 0.426 119 G N 3.772 112.654 108.800 0.136 0.000 2.525 119 G HA2 0.126 4.085 3.960 -0.001 0.000 0.685 119 G HA3 0.126 4.085 3.960 -0.001 0.000 0.685 119 G C -1.497 173.475 174.900 0.121 0.000 1.285 119 G CA -0.676 44.470 45.100 0.076 0.000 0.849 119 G HN 0.796 nan 8.290 nan 0.000 0.653 120 D N -0.043 120.411 120.400 0.090 0.000 2.233 120 D HA 0.591 5.230 4.640 -0.001 0.000 0.240 120 D C 1.529 177.780 176.300 -0.082 0.000 1.074 120 D CA 0.901 54.951 54.000 0.084 0.000 0.838 120 D CB 1.133 42.019 40.800 0.143 0.000 1.124 120 D HN 0.716 nan 8.370 nan 0.000 0.475 121 G N 3.138 111.831 108.800 -0.179 0.000 2.476 121 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.218 121 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.218 121 G C 1.088 175.718 174.900 -0.450 0.000 1.164 121 G CA 0.720 45.439 45.100 -0.634 0.000 0.768 121 G HN 0.580 nan 8.290 nan 0.000 0.560 122 D N 0.962 121.380 120.400 0.029 0.000 2.084 122 D HA -0.031 4.608 4.640 -0.001 0.000 0.196 122 D C 2.933 179.300 176.300 0.112 0.000 0.985 122 D CA 1.253 55.323 54.000 0.117 0.000 0.826 122 D CB -0.467 40.432 40.800 0.165 0.000 0.978 122 D HN 0.297 nan 8.370 nan 0.000 0.456 123 A N 1.227 124.105 122.820 0.096 0.000 1.908 123 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 123 A C 1.966 179.642 177.584 0.154 0.000 1.181 123 A CA 2.259 54.366 52.037 0.117 0.000 0.627 123 A CB -0.756 18.297 19.000 0.089 0.000 0.818 123 A HN 0.207 nan 8.150 nan 0.000 0.445 124 D N -1.378 119.088 120.400 0.111 0.000 2.144 124 D HA -0.170 4.469 4.640 -0.001 0.000 0.199 124 D C 1.647 178.158 176.300 0.352 0.000 0.984 124 D CA 1.438 55.553 54.000 0.192 0.000 0.834 124 D CB -0.288 40.573 40.800 0.102 0.000 0.955 124 D HN 0.753 nan 8.370 nan 0.000 0.465 125 H N -0.981 118.185 119.070 0.161 0.000 2.547 125 H HA 0.127 4.682 4.556 -0.001 0.000 0.272 125 H C 1.542 177.013 175.328 0.238 0.000 0.989 125 H CA 0.225 56.386 56.048 0.188 0.000 1.214 125 H CB 0.433 30.303 29.762 0.181 0.000 1.389 125 H HN 0.067 nan 8.280 nan 0.000 0.577 126 K N 0.047 120.664 120.400 0.362 0.000 2.366 126 K HA -0.073 4.246 4.320 -0.001 0.000 0.198 126 K C -0.022 176.809 176.600 0.386 0.000 1.044 126 K CA 0.295 56.772 56.287 0.315 0.000 0.973 126 K CB 0.384 33.035 32.500 0.253 0.000 0.767 126 K HN 0.172 nan 8.250 nan 0.000 0.475 127 W N 0.332 121.756 121.300 0.207 0.000 2.606 127 W HA 0.234 4.894 4.660 -0.001 0.000 0.332 127 W C -1.391 175.282 176.519 0.258 0.000 1.052 127 W CA -1.022 56.449 57.345 0.210 0.000 1.223 127 W CB 0.893 30.453 29.460 0.167 0.000 1.383 127 W HN -0.075 nan 8.180 nan 0.000 0.524 128 W N 7.974 128.881 121.300 -0.654 0.000 2.466 128 W HA 0.545 5.204 4.660 -0.001 0.000 0.303 128 W C -0.783 175.102 176.519 -1.055 0.000 0.999 128 W CA -0.441 56.511 57.345 -0.654 0.000 1.437 128 W CB 1.072 30.325 29.460 -0.345 0.000 1.274 128 W HN 0.726 nan 8.180 nan 0.000 0.417 129 G N 4.692 112.567 108.800 -1.542 0.000 2.495 129 G HA2 0.403 4.362 3.960 -0.001 0.000 0.294 129 G HA3 0.403 4.362 3.960 -0.001 0.000 0.294 129 G C -3.352 171.180 174.900 -0.613 0.000 1.397 129 G CA -0.956 43.447 45.100 -1.162 0.000 0.790 129 G HN -0.066 nan 8.290 nan 0.000 0.486 130 P HA 0.297 nan 4.420 nan 0.000 0.266 130 P C 0.884 178.234 177.300 0.084 0.000 1.195 130 P CA 0.631 63.755 63.100 0.039 0.000 0.768 130 P CB 1.205 32.973 31.700 0.113 0.000 0.838 131 A N 3.255 125.958 122.820 -0.195 0.000 1.933 131 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 131 A C 1.739 179.214 177.584 -0.182 0.000 1.175 131 A CA 1.637 53.336 52.037 -0.562 0.000 0.628 131 A CB -1.126 17.427 19.000 -0.746 0.000 0.814 131 A HN 0.538 nan 8.150 nan 0.000 0.444 132 E N -0.503 119.672 120.200 -0.041 0.000 2.331 132 E HA -0.097 4.252 4.350 -0.001 0.000 0.199 132 E C 1.333 177.922 176.600 -0.019 0.000 1.008 132 E CA 1.328 57.726 56.400 -0.004 0.000 0.843 132 E CB -0.245 29.477 29.700 0.036 0.000 0.761 132 E HN 0.710 nan 8.360 nan 0.000 0.507 133 V N -2.818 117.108 119.914 0.020 0.000 3.070 133 V HA 0.316 4.435 4.120 -0.001 0.000 0.345 133 V C 0.292 176.218 176.094 -0.280 0.000 1.403 133 V CA -0.510 61.739 62.300 -0.086 0.000 1.155 133 V CB -0.559 31.322 31.823 0.097 0.000 1.140 133 V HN 0.015 nan 8.190 nan 0.000 0.505 134 M N 3.643 123.070 119.600 -0.289 0.000 2.290 134 M HA 0.161 4.641 4.480 -0.001 0.000 0.356 134 M C -1.007 174.914 176.300 -0.632 0.000 1.448 134 M CA -0.024 54.905 55.300 -0.617 0.000 0.993 134 M CB 0.704 33.114 32.600 -0.316 0.000 1.934 134 M HN 0.196 nan 8.290 nan 0.000 0.461 135 P HA 0.088 nan 4.420 nan 0.000 0.267 135 P C -0.319 176.780 177.300 -0.335 0.000 1.289 135 P CA 0.365 63.147 63.100 -0.530 0.000 0.866 135 P CB 0.281 31.703 31.700 -0.464 0.000 1.309 136 M N -0.998 118.410 119.600 -0.320 0.000 2.368 136 M HA 0.448 4.927 4.480 -0.001 0.000 0.311 136 M C -0.133 176.101 176.300 -0.111 0.000 1.168 136 M CA -0.142 55.060 55.300 -0.163 0.000 1.044 136 M CB 0.471 33.010 32.600 -0.102 0.000 1.506 136 M HN -0.316 nan 8.290 nan 0.000 0.475 137 E N 1.807 121.970 120.200 -0.062 0.000 2.366 137 E HA 0.338 4.687 4.350 -0.001 0.000 0.266 137 E C -0.696 175.890 176.600 -0.024 0.000 1.051 137 E CA -0.041 56.331 56.400 -0.046 0.000 0.884 137 E CB 0.743 30.424 29.700 -0.031 0.000 1.006 137 E HN 0.553 nan 8.360 nan 0.000 0.417 138 R N 2.831 123.314 120.500 -0.028 0.000 2.363 138 R HA 0.316 4.655 4.340 -0.001 0.000 0.297 138 R C -2.335 173.946 176.300 -0.032 0.000 1.208 138 R CA -1.674 54.423 56.100 -0.004 0.000 1.121 138 R CB 1.103 31.403 30.300 0.001 0.000 1.124 138 R HN 0.194 nan 8.270 nan 0.000 0.561 139 P HA 0.065 nan 4.420 nan 0.000 0.271 139 P C -0.708 176.391 177.300 -0.334 0.000 1.218 139 P CA -0.041 62.919 63.100 -0.232 0.000 0.780 139 P CB 1.021 32.547 31.700 -0.290 0.000 0.901 140 S N 2.027 117.487 115.700 -0.401 0.000 2.437 140 S HA 0.585 5.054 4.470 -0.001 0.000 0.305 140 S C -0.601 173.819 174.600 -0.300 0.000 1.109 140 S CA -0.318 57.771 58.200 -0.185 0.000 1.099 140 S CB 0.058 63.196 63.200 -0.103 0.000 1.004 140 S HN 0.197 nan 8.310 nan 0.000 0.475 141 F N 2.309 122.418 119.950 0.266 0.000 2.522 141 F HA 0.654 5.180 4.527 -0.001 0.000 0.324 141 F C 0.477 176.348 175.800 0.118 0.000 1.077 141 F CA -0.919 57.192 58.000 0.184 0.000 0.944 141 F CB 1.674 40.760 39.000 0.143 0.000 1.175 141 F HN 0.492 nan 8.300 nan 0.000 0.468 142 K N -0.013 120.426 120.400 0.066 0.000 2.430 142 K HA 0.919 5.238 4.320 -0.001 0.000 0.268 142 K C -1.814 174.742 176.600 -0.074 0.000 1.043 142 K CA -1.063 55.075 56.287 -0.249 0.000 0.899 142 K CB 2.399 34.309 32.500 -0.984 0.000 1.472 142 K HN 0.489 nan 8.250 nan 0.000 0.451 143 V N -0.946 118.913 119.914 -0.091 0.000 2.686 143 V HA 0.664 4.783 4.120 -0.001 0.000 0.306 143 V C -1.769 174.289 176.094 -0.059 0.000 1.065 143 V CA -0.552 61.771 62.300 0.038 0.000 0.894 143 V CB 1.141 33.084 31.823 0.202 0.000 1.004 143 V HN 1.065 nan 8.190 nan 0.000 0.424 144 D N 3.118 123.481 120.400 -0.061 0.000 2.744 144 D HA 0.623 5.262 4.640 -0.001 0.000 0.304 144 D C -2.625 173.600 176.300 -0.125 0.000 1.179 144 D CA -1.870 51.962 54.000 -0.281 0.000 1.024 144 D CB 1.077 41.705 40.800 -0.288 0.000 1.453 144 D HN 0.237 nan 8.370 nan 0.000 0.529 145 P HA -0.073 nan 4.420 nan 0.000 0.219 145 P C 0.895 178.102 177.300 -0.155 0.000 1.146 145 P CA 1.332 64.140 63.100 -0.487 0.000 0.808 145 P CB 0.104 31.266 31.700 -0.896 0.000 0.779 146 S N -2.337 113.296 115.700 -0.112 0.000 2.453 146 S HA -0.049 4.420 4.470 -0.001 0.000 0.231 146 S C 0.951 175.550 174.600 -0.002 0.000 1.005 146 S CA 0.668 58.842 58.200 -0.043 0.000 0.949 146 S CB -0.514 62.656 63.200 -0.050 0.000 0.774 146 S HN 0.206 nan 8.310 nan 0.000 0.510 147 c N 2.686 121.295 118.600 0.014 0.000 3.280 147 c HA 0.323 4.893 4.570 -0.001 0.000 0.334 147 c C -2.609 171.532 174.090 0.086 0.000 0.977 147 c CA -1.848 54.505 56.329 0.041 0.000 1.264 147 c CB 0.400 42.927 42.510 0.028 0.000 1.688 147 c HN 0.260 nan 8.230 nan 0.000 0.592 148 P HA 0.446 nan 4.420 nan 0.000 0.282 148 P C 0.011 177.353 177.300 0.071 0.000 1.286 148 P CA 0.345 63.528 63.100 0.138 0.000 0.777 148 P CB 0.902 32.622 31.700 0.033 0.000 1.184 149 G N -1.034 107.742 108.800 -0.040 0.000 4.132 149 G HA2 0.183 4.142 3.960 -0.001 0.000 0.269 149 G HA3 0.183 4.142 3.960 -0.001 0.000 0.269 149 G C 0.658 175.442 174.900 -0.194 0.000 2.594 149 G CA -0.181 44.915 45.100 -0.007 0.000 0.600 149 G HN 0.281 nan 8.290 nan 0.000 0.341 150 S N 0.933 116.446 115.700 -0.313 0.000 2.402 150 S HA -0.171 4.299 4.470 -0.001 0.000 0.233 150 S C 2.205 176.680 174.600 -0.208 0.000 1.030 150 S CA 2.152 60.103 58.200 -0.415 0.000 1.003 150 S CB -0.027 62.755 63.200 -0.696 0.000 0.813 150 S HN 0.762 nan 8.310 nan 0.000 0.477 151 D N 1.467 121.799 120.400 -0.114 0.000 2.075 151 D HA -0.076 4.563 4.640 -0.001 0.000 0.196 151 D C 1.878 178.053 176.300 -0.208 0.000 0.985 151 D CA 0.912 54.843 54.000 -0.115 0.000 0.834 151 D CB -1.114 39.535 40.800 -0.251 0.000 0.987 151 D HN 0.248 nan 8.370 nan 0.000 0.452 152 V N 0.435 120.041 119.914 -0.514 0.000 2.407 152 V HA -0.176 3.944 4.120 -0.001 0.000 0.248 152 V C 2.297 178.340 176.094 -0.086 0.000 1.055 152 V CA 2.235 64.316 62.300 -0.365 0.000 1.049 152 V CB -0.732 30.730 31.823 -0.602 0.000 0.662 152 V HN 0.338 nan 8.190 nan 0.000 0.455 153 A N -0.061 122.707 122.820 -0.086 0.000 1.858 153 A HA -0.043 4.276 4.320 -0.001 0.000 0.216 153 A C 2.443 180.022 177.584 -0.008 0.000 1.190 153 A CA 2.142 54.168 52.037 -0.018 0.000 0.617 153 A CB -1.137 17.824 19.000 -0.064 0.000 0.827 153 A HN 0.828 nan 8.150 nan 0.000 0.443 154 A N -0.541 122.268 122.820 -0.017 0.000 1.972 154 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 154 A C 1.957 179.684 177.584 0.239 0.000 1.169 154 A CA 2.156 54.250 52.037 0.095 0.000 0.635 154 A CB -0.425 18.619 19.000 0.074 0.000 0.810 154 A HN 0.558 nan 8.150 nan 0.000 0.446 155 E N -0.154 120.207 120.200 0.268 0.000 2.047 155 E HA -0.104 4.246 4.350 -0.001 0.000 0.191 155 E C 1.970 178.674 176.600 0.173 0.000 0.987 155 E CA 1.978 58.610 56.400 0.385 0.000 0.799 155 E CB -0.608 29.403 29.700 0.518 0.000 0.752 155 E HN 0.480 nan 8.360 nan 0.000 0.449 156 T N 0.302 114.851 114.554 -0.008 0.000 2.833 156 T HA -0.111 4.239 4.350 -0.001 0.000 0.269 156 T C 1.769 176.364 174.700 -0.175 0.000 1.054 156 T CA 1.250 63.178 62.100 -0.288 0.000 1.135 156 T CB -0.405 68.184 68.868 -0.464 0.000 0.869 156 T HN 0.335 nan 8.240 nan 0.000 0.466 157 A N 1.470 124.268 122.820 -0.037 0.000 1.898 157 A HA 0.240 4.559 4.320 -0.001 0.000 0.216 157 A C 2.675 180.259 177.584 0.000 0.000 1.181 157 A CA 1.635 53.677 52.037 0.008 0.000 0.620 157 A CB -1.116 17.965 19.000 0.134 0.000 0.819 157 A HN 0.493 nan 8.150 nan 0.000 0.442 158 A N 0.015 122.862 122.820 0.045 0.000 1.902 158 A HA 0.123 4.443 4.320 -0.001 0.000 0.217 158 A C 2.521 179.984 177.584 -0.201 0.000 1.181 158 A CA 2.248 54.245 52.037 -0.068 0.000 0.623 158 A CB -1.098 17.873 19.000 -0.047 0.000 0.818 158 A HN 1.056 nan 8.150 nan 0.000 0.443 159 A N -0.270 122.503 122.820 -0.079 0.000 1.865 159 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 159 A C 2.292 179.858 177.584 -0.030 0.000 1.191 159 A CA 2.042 54.058 52.037 -0.034 0.000 0.623 159 A CB -0.623 18.443 19.000 0.111 0.000 0.826 159 A HN 0.548 nan 8.150 nan 0.000 0.444 160 M N -0.630 118.957 119.600 -0.021 0.000 2.175 160 M HA -0.098 4.381 4.480 -0.001 0.000 0.264 160 M C 2.503 178.771 176.300 -0.053 0.000 1.063 160 M CA 1.257 56.545 55.300 -0.019 0.000 1.119 160 M CB -0.493 32.082 32.600 -0.043 0.000 1.377 160 M HN 0.498 nan 8.290 nan 0.000 0.415 161 A N 0.810 123.583 122.820 -0.080 0.000 1.841 161 A HA -0.021 4.298 4.320 -0.001 0.000 0.214 161 A C 2.440 179.969 177.584 -0.091 0.000 1.195 161 A CA 1.908 53.898 52.037 -0.079 0.000 0.611 161 A CB -1.119 17.834 19.000 -0.078 0.000 0.835 161 A HN 0.459 nan 8.150 nan 0.000 0.443 162 A N -0.439 122.247 122.820 -0.223 0.000 1.948 162 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 162 A C 2.410 179.892 177.584 -0.170 0.000 1.177 162 A CA 2.330 54.157 52.037 -0.351 0.000 0.636 162 A CB -0.875 17.582 19.000 -0.906 0.000 0.815 162 A HN 0.485 nan 8.150 nan 0.000 0.449 163 S N 0.222 115.867 115.700 -0.091 0.000 2.406 163 S HA -0.127 4.342 4.470 -0.001 0.000 0.228 163 S C 2.287 176.967 174.600 0.133 0.000 1.020 163 S CA 1.367 59.585 58.200 0.030 0.000 0.965 163 S CB -0.400 62.897 63.200 0.160 0.000 0.798 163 S HN 0.929 nan 8.310 nan 0.000 0.488 164 S N 2.325 118.075 115.700 0.084 0.000 2.400 164 S HA -0.078 4.392 4.470 -0.001 0.000 0.232 164 S C 1.757 176.412 174.600 0.092 0.000 1.025 164 S CA 0.992 59.253 58.200 0.101 0.000 0.993 164 S CB -0.807 62.401 63.200 0.013 0.000 0.808 164 S HN 0.516 nan 8.310 nan 0.000 0.478 165 I N 1.338 121.928 120.570 0.033 0.000 2.315 165 I HA -0.107 4.063 4.170 -0.001 0.000 0.248 165 I C 2.420 178.533 176.117 -0.007 0.000 1.117 165 I CA 0.905 62.217 61.300 0.019 0.000 1.404 165 I CB -0.519 37.498 38.000 0.028 0.000 1.071 165 I HN 0.217 nan 8.210 nan 0.000 0.419 166 V N 0.467 120.336 119.914 -0.076 0.000 2.358 166 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 166 V C 2.097 178.028 176.094 -0.271 0.000 1.047 166 V CA 1.924 64.082 62.300 -0.237 0.000 1.035 166 V CB -0.648 30.909 31.823 -0.443 0.000 0.658 166 V HN 0.258 nan 8.190 nan 0.000 0.452 167 F N 0.411 120.386 119.950 0.042 0.000 2.615 167 F HA 0.247 4.773 4.527 -0.001 0.000 0.297 167 F C 2.303 178.137 175.800 0.057 0.000 1.124 167 F CA 0.412 58.455 58.000 0.072 0.000 1.451 167 F CB -1.014 38.095 39.000 0.181 0.000 1.103 167 F HN 0.048 nan 8.300 nan 0.000 0.569 168 A N 0.643 123.569 122.820 0.177 0.000 1.923 168 A HA -0.322 3.998 4.320 -0.001 0.000 0.222 168 A C 2.072 179.711 177.584 0.092 0.000 1.258 168 A CA 2.696 54.799 52.037 0.109 0.000 0.670 168 A CB -0.929 18.106 19.000 0.058 0.000 0.834 168 A HN 0.358 nan 8.150 nan 0.000 0.470 169 D N -1.077 119.368 120.400 0.074 0.000 2.183 169 D HA -0.040 4.600 4.640 -0.001 0.000 0.205 169 D C 1.337 177.679 176.300 0.072 0.000 0.962 169 D CA 1.273 55.308 54.000 0.058 0.000 0.849 169 D CB -0.431 40.391 40.800 0.036 0.000 0.978 169 D HN 0.437 nan 8.370 nan 0.000 0.488 170 D N 0.446 120.906 120.400 0.101 0.000 2.091 170 D HA -0.075 4.565 4.640 -0.001 0.000 0.199 170 D C 0.468 176.838 176.300 0.117 0.000 0.980 170 D CA 1.095 55.162 54.000 0.111 0.000 0.831 170 D CB 0.160 41.053 40.800 0.154 0.000 0.987 170 D HN 0.002 nan 8.370 nan 0.000 0.460 171 D N -1.028 119.476 120.400 0.173 0.000 2.443 171 D HA 0.117 4.756 4.640 -0.001 0.000 0.281 171 D C -1.919 174.471 176.300 0.149 0.000 1.210 171 D CA -1.818 52.260 54.000 0.130 0.000 0.875 171 D CB 1.356 42.205 40.800 0.081 0.000 1.125 171 D HN -0.084 nan 8.370 nan 0.000 0.503 172 P HA -0.188 nan 4.420 nan 0.000 0.217 172 P C 1.217 178.563 177.300 0.076 0.000 1.148 172 P CA 0.894 64.045 63.100 0.084 0.000 0.828 172 P CB 0.462 32.196 31.700 0.056 0.000 0.783 173 A N -0.448 122.417 122.820 0.075 0.000 1.845 173 A HA -0.233 4.087 4.320 -0.001 0.000 0.215 173 A C 2.423 180.060 177.584 0.089 0.000 1.195 173 A CA 1.586 53.663 52.037 0.066 0.000 0.616 173 A CB -1.995 17.040 19.000 0.057 0.000 0.832 173 A HN 0.093 nan 8.150 nan 0.000 0.443 174 Y N 0.695 120.966 120.300 -0.049 0.000 2.081 174 Y HA -0.199 4.350 4.550 -0.001 0.000 0.280 174 Y C 2.795 178.664 175.900 -0.051 0.000 1.163 174 Y CA 1.344 59.384 58.100 -0.101 0.000 1.135 174 Y CB -0.867 37.453 38.460 -0.232 0.000 0.970 174 Y HN 0.331 nan 8.280 nan 0.000 0.498 175 A N 0.355 123.206 122.820 0.052 0.000 1.892 175 A HA -0.248 4.071 4.320 -0.001 0.000 0.218 175 A C 2.499 180.061 177.584 -0.036 0.000 1.188 175 A CA 2.657 54.706 52.037 0.020 0.000 0.631 175 A CB -1.651 17.416 19.000 0.112 0.000 0.822 175 A HN 0.629 nan 8.150 nan 0.000 0.447 176 A N -1.154 121.663 122.820 -0.006 0.000 1.908 176 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 176 A C 2.307 179.878 177.584 -0.021 0.000 1.181 176 A CA 2.448 54.481 52.037 -0.006 0.000 0.627 176 A CB -1.396 17.611 19.000 0.010 0.000 0.818 176 A HN 0.484 nan 8.150 nan 0.000 0.445 177 T N 0.621 115.149 114.554 -0.043 0.000 2.788 177 T HA -0.085 4.265 4.350 -0.001 0.000 0.268 177 T C 1.774 176.480 174.700 0.009 0.000 1.044 177 T CA 1.487 63.580 62.100 -0.011 0.000 1.139 177 T CB -0.397 68.453 68.868 -0.030 0.000 0.867 177 T HN 0.403 nan 8.240 nan 0.000 0.454 178 L N 0.613 121.742 121.223 -0.156 0.000 2.056 178 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 178 L C 2.700 179.553 176.870 -0.029 0.000 1.078 178 L CA 0.791 55.544 54.840 -0.145 0.000 0.749 178 L CB -0.898 41.014 42.059 -0.246 0.000 0.901 178 L HN 0.120 nan 8.230 nan 0.000 0.433 179 V N -0.127 119.768 119.914 -0.033 0.000 2.287 179 V HA -0.353 3.767 4.120 -0.001 0.000 0.248 179 V C 2.551 178.652 176.094 0.011 0.000 1.053 179 V CA 2.054 64.346 62.300 -0.015 0.000 1.027 179 V CB -0.609 31.207 31.823 -0.012 0.000 0.646 179 V HN 0.525 nan 8.190 nan 0.000 0.447 180 Q N -0.954 118.854 119.800 0.014 0.000 2.061 180 Q HA -0.257 4.082 4.340 -0.001 0.000 0.204 180 Q C 2.385 178.378 176.000 -0.012 0.000 0.984 180 Q CA 1.995 57.795 55.803 -0.004 0.000 0.846 180 Q CB -0.188 28.528 28.738 -0.037 0.000 0.902 180 Q HN 0.711 nan 8.270 nan 0.000 0.421 181 H N -0.698 118.364 119.070 -0.013 0.000 2.353 181 H HA -0.107 4.448 4.556 -0.001 0.000 0.300 181 H C 1.997 177.274 175.328 -0.085 0.000 1.090 181 H CA 1.385 57.414 56.048 -0.032 0.000 1.327 181 H CB -0.074 29.642 29.762 -0.077 0.000 1.383 181 H HN 0.452 nan 8.280 nan 0.000 0.508 182 A N 1.463 124.315 122.820 0.054 0.000 1.908 182 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 182 A C 2.387 180.010 177.584 0.065 0.000 1.181 182 A CA 1.783 53.829 52.037 0.015 0.000 0.627 182 A CB -0.333 18.654 19.000 -0.022 0.000 0.818 182 A HN 0.354 nan 8.150 nan 0.000 0.445 183 K N -0.581 119.866 120.400 0.077 0.000 2.026 183 K HA -0.183 4.137 4.320 -0.001 0.000 0.208 183 K C 2.383 179.103 176.600 0.200 0.000 1.048 183 K CA 1.704 58.083 56.287 0.154 0.000 0.929 183 K CB -0.254 32.334 32.500 0.147 0.000 0.713 183 K HN 0.640 nan 8.250 nan 0.000 0.439 184 Q N 0.740 120.631 119.800 0.152 0.000 2.061 184 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 184 Q C 2.263 178.410 176.000 0.245 0.000 0.984 184 Q CA 1.367 57.286 55.803 0.194 0.000 0.846 184 Q CB -0.244 28.623 28.738 0.216 0.000 0.902 184 Q HN 0.284 nan 8.270 nan 0.000 0.421 185 L N -0.663 120.651 121.223 0.152 0.000 2.083 185 L HA -0.219 4.120 4.340 -0.001 0.000 0.209 185 L C 2.392 179.370 176.870 0.180 0.000 1.083 185 L CA 1.245 56.182 54.840 0.162 0.000 0.752 185 L CB -0.437 41.602 42.059 -0.033 0.000 0.899 185 L HN 0.253 nan 8.230 nan 0.000 0.433 186 Y N 0.514 120.868 120.300 0.090 0.000 2.200 186 Y HA -0.246 4.303 4.550 -0.001 0.000 0.290 186 Y C 2.665 178.628 175.900 0.105 0.000 1.137 186 Y CA 2.006 60.155 58.100 0.082 0.000 1.163 186 Y CB -0.258 38.248 38.460 0.077 0.000 0.988 186 Y HN 0.055 nan 8.280 nan 0.000 0.518 187 T N 0.921 115.638 114.554 0.271 0.000 2.708 187 T HA -0.228 4.122 4.350 -0.001 0.000 0.266 187 T C 1.539 176.323 174.700 0.140 0.000 1.037 187 T CA 1.629 63.852 62.100 0.205 0.000 1.146 187 T CB -0.824 68.180 68.868 0.227 0.000 0.865 187 T HN 0.457 nan 8.240 nan 0.000 0.435 188 F N 2.680 122.686 119.950 0.093 0.000 2.091 188 F HA -0.084 4.442 4.527 -0.001 0.000 0.299 188 F C 2.398 178.242 175.800 0.073 0.000 1.103 188 F CA 0.983 59.081 58.000 0.162 0.000 1.228 188 F CB -1.054 38.029 39.000 0.138 0.000 0.984 188 F HN 0.148 nan 8.300 nan 0.000 0.477 189 A N -0.358 122.168 122.820 -0.489 0.000 1.898 189 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 189 A C 1.944 179.192 177.584 -0.560 0.000 1.181 189 A CA 1.891 53.518 52.037 -0.683 0.000 0.620 189 A CB -1.215 17.463 19.000 -0.536 0.000 0.819 189 A HN 0.502 nan 8.150 nan 0.000 0.442 190 D N -1.417 118.699 120.400 -0.473 0.000 2.183 190 D HA -0.063 4.576 4.640 -0.001 0.000 0.203 190 D C 1.874 178.010 176.300 -0.274 0.000 0.969 190 D CA 1.738 55.529 54.000 -0.347 0.000 0.842 190 D CB 0.047 40.718 40.800 -0.216 0.000 0.957 190 D HN 0.360 nan 8.370 nan 0.000 0.484 191 T N -1.244 113.141 114.554 -0.282 0.000 2.852 191 T HA -0.037 4.312 4.350 -0.001 0.000 0.256 191 T C -0.001 174.331 174.700 -0.614 0.000 1.038 191 T CA 0.742 62.580 62.100 -0.437 0.000 1.141 191 T CB -0.188 68.363 68.868 -0.528 0.000 0.869 191 T HN 0.102 nan 8.240 nan 0.000 0.439 192 Y N 2.481 122.677 120.300 -0.174 0.000 2.593 192 Y HA 0.458 5.007 4.550 -0.001 0.000 0.331 192 Y C 0.317 176.019 175.900 -0.330 0.000 0.986 192 Y CA -1.301 56.700 58.100 -0.165 0.000 1.262 192 Y CB 0.293 38.749 38.460 -0.006 0.000 1.098 192 Y HN -0.226 nan 8.280 nan 0.000 0.506 193 R N 2.011 122.376 120.500 -0.224 0.000 2.490 193 R HA 0.713 5.052 4.340 -0.001 0.000 0.280 193 R C 0.364 176.543 176.300 -0.201 0.000 1.077 193 R CA -0.464 55.399 56.100 -0.396 0.000 1.065 193 R CB 0.682 30.803 30.300 -0.298 0.000 1.003 193 R HN 0.905 nan 8.270 nan 0.000 0.470 194 G N -0.318 108.345 108.800 -0.228 0.000 2.358 194 G HA2 0.137 4.096 3.960 -0.001 0.000 0.301 194 G HA3 0.137 4.096 3.960 -0.001 0.000 0.301 194 G C -1.665 173.318 174.900 0.138 0.000 1.539 194 G CA -0.913 44.219 45.100 0.054 0.000 0.893 194 G HN 0.294 nan 8.290 nan 0.000 0.636 195 V N 2.422 122.426 119.914 0.150 0.000 2.406 195 V HA 0.238 4.357 4.120 -0.001 0.000 0.272 195 V C 1.483 177.621 176.094 0.072 0.000 1.043 195 V CA 0.001 62.375 62.300 0.123 0.000 0.915 195 V CB 0.587 32.433 31.823 0.039 0.000 0.988 195 V HN 0.910 nan 8.190 nan 0.000 0.466 196 Y N 4.105 124.358 120.300 -0.078 0.000 2.315 196 Y HA -0.208 4.341 4.550 -0.001 0.000 0.288 196 Y C 2.138 178.014 175.900 -0.040 0.000 1.154 196 Y CA 1.515 59.575 58.100 -0.067 0.000 1.229 196 Y CB -0.752 37.642 38.460 -0.110 0.000 0.980 196 Y HN 0.604 nan 8.280 nan 0.000 0.540 197 S N -1.068 114.206 115.700 -0.710 0.000 2.603 197 S HA -0.072 4.398 4.470 -0.001 0.000 0.229 197 S C 0.945 175.348 174.600 -0.328 0.000 0.972 197 S CA 0.745 58.534 58.200 -0.685 0.000 0.935 197 S CB -0.223 62.625 63.200 -0.587 0.000 0.769 197 S HN 0.477 nan 8.310 nan 0.000 0.536 198 D N 0.469 120.747 120.400 -0.204 0.000 2.346 198 D HA 0.203 4.842 4.640 -0.001 0.000 0.206 198 D C 1.223 177.472 176.300 -0.085 0.000 1.001 198 D CA 0.213 54.141 54.000 -0.119 0.000 0.871 198 D CB 0.150 40.911 40.800 -0.066 0.000 0.943 198 D HN 0.461 nan 8.370 nan 0.000 0.518 199 c N -0.250 118.300 118.600 -0.084 0.000 2.689 199 c HA 0.241 4.811 4.570 -0.001 0.000 0.336 199 c C 0.843 174.915 174.090 -0.029 0.000 1.304 199 c CA -0.412 55.902 56.329 -0.026 0.000 1.860 199 c CB 0.279 42.805 42.510 0.026 0.000 2.405 199 c HN 0.096 nan 8.230 nan 0.000 0.557 200 V N -0.770 119.084 119.914 -0.099 0.000 2.715 200 V HA 0.560 4.679 4.120 -0.001 0.000 0.310 200 V C -2.595 173.354 176.094 -0.242 0.000 1.054 200 V CA -1.993 60.224 62.300 -0.139 0.000 0.928 200 V CB 1.167 32.986 31.823 -0.005 0.000 1.007 200 V HN 0.056 nan 8.190 nan 0.000 0.437 201 P HA 0.278 nan 4.420 nan 0.000 0.225 201 P C 0.344 177.629 177.300 -0.025 0.000 1.768 201 P CA 0.281 63.252 63.100 -0.215 0.000 0.943 201 P CB 0.566 32.100 31.700 -0.277 0.000 1.936 202 A N 0.381 123.201 122.820 0.001 0.000 2.431 202 A HA 0.366 4.685 4.320 -0.001 0.000 0.239 202 A C 2.155 179.780 177.584 0.069 0.000 1.230 202 A CA 0.571 52.775 52.037 0.278 0.000 0.928 202 A CB -0.599 18.623 19.000 0.370 0.000 1.006 202 A HN 0.325 nan 8.150 nan 0.000 0.520 203 G N 0.367 109.074 108.800 -0.156 0.000 2.517 203 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.222 203 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.222 203 G C 1.394 176.107 174.900 -0.313 0.000 1.109 203 G CA 1.264 46.204 45.100 -0.268 0.000 0.746 203 G HN 0.810 nan 8.290 nan 0.000 0.576 204 A N -1.076 121.468 122.820 -0.460 0.000 2.238 204 A HA 0.526 4.846 4.320 -0.001 0.000 0.208 204 A C 1.603 178.682 177.584 -0.840 0.000 1.177 204 A CA 0.634 52.266 52.037 -0.675 0.000 0.804 204 A CB -0.063 18.394 19.000 -0.905 0.000 0.823 204 A HN 0.304 nan 8.150 nan 0.000 0.482 205 F N -3.533 116.317 119.950 -0.166 0.000 2.463 205 F HA 0.313 4.839 4.527 -0.001 0.000 0.271 205 F C 0.211 175.537 175.800 -0.791 0.000 0.888 205 F CA -0.088 57.632 58.000 -0.467 0.000 1.149 205 F CB 0.311 38.978 39.000 -0.556 0.000 1.071 205 F HN 0.054 nan 8.300 nan 0.000 0.802 206 Y N 1.091 121.329 120.300 -0.104 0.000 2.511 206 Y HA 0.328 4.877 4.550 -0.001 0.000 0.356 206 Y C -0.197 175.898 175.900 0.325 0.000 1.002 206 Y CA -1.438 56.602 58.100 -0.099 0.000 1.127 206 Y CB -0.000 38.255 38.460 -0.341 0.000 1.137 206 Y HN -0.094 nan 8.280 nan 0.000 0.652 207 N N 0.471 119.301 118.700 0.216 0.000 2.479 207 N HA -0.014 4.725 4.740 -0.001 0.000 0.257 207 N C 0.272 175.774 175.510 -0.014 0.000 1.232 207 N CA 0.307 53.209 53.050 -0.246 0.000 0.920 207 N CB 1.011 38.839 38.487 -1.099 0.000 1.105 207 N HN 0.196 nan 8.380 nan 0.000 0.444 208 S N 3.188 118.889 115.700 0.002 0.000 3.919 208 S HA 0.128 4.597 4.470 -0.001 0.000 0.245 208 S C 0.496 175.098 174.600 0.004 0.000 1.344 208 S CA -0.581 57.735 58.200 0.194 0.000 0.896 208 S CB -0.813 62.492 63.200 0.175 0.000 1.557 208 S HN 0.629 nan 8.310 nan 0.000 0.468 209 W N 2.097 123.440 121.300 0.073 0.000 2.392 209 W HA -0.067 4.592 4.660 -0.001 0.000 0.279 209 W C 2.479 178.931 176.519 -0.112 0.000 1.225 209 W CA 0.793 58.105 57.345 -0.055 0.000 1.233 209 W CB -0.220 29.163 29.460 -0.128 0.000 1.122 209 W HN 0.754 nan 8.180 nan 0.000 0.561 210 S N -1.128 114.629 115.700 0.094 0.000 2.511 210 S HA 0.568 5.037 4.470 -0.001 0.000 0.214 210 S C 1.084 175.649 174.600 -0.058 0.000 0.997 210 S CA 0.264 58.453 58.200 -0.019 0.000 0.908 210 S CB -0.047 63.111 63.200 -0.070 0.000 0.803 210 S HN 0.429 nan 8.310 nan 0.000 0.504 211 G N 1.649 110.428 108.800 -0.035 0.000 2.660 211 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.247 211 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.247 211 G C -0.094 174.771 174.900 -0.057 0.000 1.328 211 G CA -0.072 44.948 45.100 -0.133 0.000 0.884 211 G HN 0.880 nan 8.290 nan 0.000 0.531 212 Y N -1.738 118.560 120.300 -0.002 0.000 2.462 212 Y HA 0.463 5.012 4.550 -0.001 0.000 0.261 212 Y C 2.416 178.331 175.900 0.026 0.000 1.146 212 Y CA 0.973 59.075 58.100 0.004 0.000 1.283 212 Y CB -0.463 37.972 38.460 -0.041 0.000 1.090 212 Y HN 0.560 nan 8.280 nan 0.000 0.526 213 Q N 2.364 122.150 119.800 -0.022 0.000 2.077 213 Q HA -0.221 4.118 4.340 -0.001 0.000 0.206 213 Q C 1.754 177.828 176.000 0.123 0.000 0.989 213 Q CA 2.542 58.394 55.803 0.080 0.000 0.853 213 Q CB -0.558 28.153 28.738 -0.044 0.000 0.907 213 Q HN 0.765 nan 8.270 nan 0.000 0.418 214 D N -0.994 119.439 120.400 0.055 0.000 2.144 214 D HA -0.196 4.443 4.640 -0.001 0.000 0.199 214 D C 1.254 177.663 176.300 0.183 0.000 0.984 214 D CA 1.339 55.365 54.000 0.043 0.000 0.834 214 D CB -0.237 40.519 40.800 -0.073 0.000 0.955 214 D HN 0.305 nan 8.370 nan 0.000 0.465 215 E N 0.460 120.803 120.200 0.238 0.000 2.150 215 E HA 0.023 4.372 4.350 -0.001 0.000 0.193 215 E C 2.344 179.193 176.600 0.416 0.000 0.985 215 E CA 0.264 56.886 56.400 0.370 0.000 0.814 215 E CB -0.222 29.675 29.700 0.328 0.000 0.752 215 E HN 0.334 nan 8.360 nan 0.000 0.466 216 L N -0.288 121.137 121.223 0.336 0.000 2.093 216 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 216 L C 2.090 179.242 176.870 0.469 0.000 1.085 216 L CA 0.628 55.689 54.840 0.368 0.000 0.755 216 L CB -0.292 41.941 42.059 0.291 0.000 0.904 216 L HN 0.089 nan 8.230 nan 0.000 0.435 217 V N -1.115 119.029 119.914 0.384 0.000 2.323 217 V HA -0.279 3.840 4.120 -0.001 0.000 0.244 217 V C 2.074 178.406 176.094 0.396 0.000 1.041 217 V CA 1.665 64.177 62.300 0.353 0.000 1.025 217 V CB -0.705 31.290 31.823 0.287 0.000 0.656 217 V HN 0.616 nan 8.190 nan 0.000 0.451 218 W N 1.520 122.952 121.300 0.219 0.000 2.332 218 W HA -0.185 4.474 4.660 -0.001 0.000 0.321 218 W C 2.242 178.993 176.519 0.385 0.000 1.219 218 W CA 2.044 59.546 57.345 0.262 0.000 1.277 218 W CB -0.653 28.978 29.460 0.285 0.000 1.161 218 W HN 0.347 nan 8.180 nan 0.000 0.476 219 G N 0.548 109.668 108.800 0.532 0.000 2.446 219 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 219 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 219 G C 1.689 176.642 174.900 0.088 0.000 1.168 219 G CA 2.111 47.445 45.100 0.390 0.000 0.771 219 G HN 0.450 nan 8.290 nan 0.000 0.551 220 A N 0.291 123.155 122.820 0.074 0.000 1.873 220 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 220 A C 2.237 179.732 177.584 -0.148 0.000 1.193 220 A CA 1.991 53.890 52.037 -0.229 0.000 0.629 220 A CB -0.972 18.070 19.000 0.070 0.000 0.826 220 A HN 0.581 nan 8.150 nan 0.000 0.447 221 Y N -1.130 119.081 120.300 -0.149 0.000 2.114 221 Y HA -0.303 4.247 4.550 -0.001 0.000 0.282 221 Y C 2.143 177.832 175.900 -0.352 0.000 1.165 221 Y CA 2.109 60.049 58.100 -0.266 0.000 1.148 221 Y CB -0.524 37.669 38.460 -0.445 0.000 0.972 221 Y HN 0.467 nan 8.280 nan 0.000 0.504 222 W N 0.002 121.132 121.300 -0.283 0.000 2.388 222 W HA -0.118 4.541 4.660 -0.001 0.000 0.294 222 W C 2.314 178.576 176.519 -0.427 0.000 1.212 222 W CA 0.901 58.001 57.345 -0.409 0.000 1.271 222 W CB -0.358 28.869 29.460 -0.388 0.000 1.126 222 W HN 0.064 nan 8.180 nan 0.000 0.535 223 L N -0.784 120.265 121.223 -0.290 0.000 2.093 223 L HA -0.263 4.076 4.340 -0.001 0.000 0.208 223 L C 2.438 179.048 176.870 -0.435 0.000 1.085 223 L CA 1.162 55.681 54.840 -0.534 0.000 0.755 223 L CB -0.862 40.488 42.059 -1.181 0.000 0.904 223 L HN 0.089 nan 8.230 nan 0.000 0.435 224 Y N 1.189 121.202 120.300 -0.479 0.000 2.128 224 Y HA -0.299 4.250 4.550 -0.001 0.000 0.284 224 Y C 2.522 178.262 175.900 -0.266 0.000 1.154 224 Y CA 1.528 59.476 58.100 -0.252 0.000 1.149 224 Y CB -0.232 38.049 38.460 -0.297 0.000 0.976 224 Y HN -0.014 nan 8.280 nan 0.000 0.505 225 K N 0.176 120.211 120.400 -0.608 0.000 2.057 225 K HA -0.133 4.186 4.320 -0.001 0.000 0.207 225 K C 2.351 178.768 176.600 -0.305 0.000 1.049 225 K CA 1.296 57.238 56.287 -0.576 0.000 0.931 225 K CB -0.731 31.500 32.500 -0.448 0.000 0.714 225 K HN 0.447 nan 8.250 nan 0.000 0.440 226 A N 1.233 123.942 122.820 -0.186 0.000 1.929 226 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 226 A C 2.332 179.858 177.584 -0.097 0.000 1.176 226 A CA 2.165 54.139 52.037 -0.105 0.000 0.628 226 A CB -0.648 18.308 19.000 -0.074 0.000 0.816 226 A HN 0.507 nan 8.150 nan 0.000 0.444 227 T N -4.918 109.578 114.554 -0.098 0.000 2.953 227 T HA 0.389 4.738 4.350 -0.001 0.000 0.247 227 T C 1.609 176.286 174.700 -0.039 0.000 1.029 227 T CA 1.338 63.427 62.100 -0.018 0.000 1.144 227 T CB -0.259 68.672 68.868 0.106 0.000 0.870 227 T HN 1.673 nan 8.240 nan 0.000 0.446 228 G N 1.344 110.077 108.800 -0.112 0.000 2.157 228 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.239 228 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.239 228 G C -0.225 174.723 174.900 0.081 0.000 0.982 228 G CA 0.069 45.077 45.100 -0.154 0.000 0.650 228 G HN 0.694 nan 8.290 nan 0.000 0.527 229 D N 1.138 121.657 120.400 0.199 0.000 2.346 229 D HA 0.259 4.898 4.640 -0.001 0.000 0.260 229 D C 1.291 177.763 176.300 0.288 0.000 1.252 229 D CA -0.254 53.869 54.000 0.204 0.000 0.895 229 D CB 0.414 41.316 40.800 0.171 0.000 1.097 229 D HN 0.230 nan 8.370 nan 0.000 0.489 230 D N 1.848 122.352 120.400 0.174 0.000 2.221 230 D HA -0.187 4.453 4.640 -0.001 0.000 0.204 230 D C 1.925 178.178 176.300 -0.078 0.000 0.982 230 D CA 1.020 55.054 54.000 0.056 0.000 0.857 230 D CB 0.035 40.852 40.800 0.028 0.000 0.934 230 D HN 0.502 nan 8.370 nan 0.000 0.475 231 S N 0.147 115.789 115.700 -0.096 0.000 2.383 231 S HA -0.232 4.237 4.470 -0.001 0.000 0.229 231 S C 2.067 176.569 174.600 -0.164 0.000 1.030 231 S CA 0.700 58.798 58.200 -0.169 0.000 1.002 231 S CB -0.774 62.272 63.200 -0.256 0.000 0.829 231 S HN 0.207 nan 8.310 nan 0.000 0.467 232 Y N 1.361 121.612 120.300 -0.082 0.000 2.224 232 Y HA 0.083 4.632 4.550 -0.001 0.000 0.289 232 Y C 2.382 178.160 175.900 -0.204 0.000 1.146 232 Y CA 0.561 58.589 58.100 -0.119 0.000 1.182 232 Y CB -0.821 37.598 38.460 -0.068 0.000 0.983 232 Y HN 0.293 nan 8.280 nan 0.000 0.524 233 L N -0.002 121.044 121.223 -0.295 0.000 2.046 233 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 233 L C 2.368 179.126 176.870 -0.186 0.000 1.077 233 L CA 1.914 56.449 54.840 -0.507 0.000 0.747 233 L CB -1.150 40.284 42.059 -1.041 0.000 0.896 233 L HN 0.124 nan 8.230 nan 0.000 0.432 234 A N -0.389 122.351 122.820 -0.133 0.000 1.883 234 A HA -0.290 4.029 4.320 -0.001 0.000 0.217 234 A C 2.348 179.973 177.584 0.069 0.000 1.186 234 A CA 2.111 54.129 52.037 -0.032 0.000 0.624 234 A CB -0.696 18.274 19.000 -0.050 0.000 0.822 234 A HN 0.432 nan 8.150 nan 0.000 0.444 235 K N 0.343 120.790 120.400 0.078 0.000 2.032 235 K HA -0.063 4.256 4.320 -0.001 0.000 0.209 235 K C 2.007 178.770 176.600 0.271 0.000 1.048 235 K CA 1.985 58.387 56.287 0.192 0.000 0.927 235 K CB -0.822 31.794 32.500 0.193 0.000 0.712 235 K HN 0.341 nan 8.250 nan 0.000 0.441 236 A N 1.035 123.968 122.820 0.188 0.000 1.865 236 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 236 A C 2.075 179.794 177.584 0.224 0.000 1.191 236 A CA 2.053 54.211 52.037 0.202 0.000 0.623 236 A CB -0.734 18.339 19.000 0.122 0.000 0.826 236 A HN 0.554 nan 8.150 nan 0.000 0.444 237 E N -1.710 118.584 120.200 0.157 0.000 2.085 237 E HA -0.238 4.112 4.350 -0.001 0.000 0.194 237 E C 1.907 178.650 176.600 0.237 0.000 0.994 237 E CA 1.580 58.088 56.400 0.181 0.000 0.801 237 E CB -0.364 29.416 29.700 0.134 0.000 0.743 237 E HN 0.799 nan 8.360 nan 0.000 0.453 238 Y N 2.258 122.635 120.300 0.129 0.000 2.089 238 Y HA -0.213 4.336 4.550 -0.001 0.000 0.282 238 Y C 2.147 178.144 175.900 0.161 0.000 1.139 238 Y CA 1.649 59.823 58.100 0.123 0.000 1.123 238 Y CB -0.067 38.482 38.460 0.148 0.000 0.980 238 Y HN -0.114 nan 8.280 nan 0.000 0.493 239 E N -0.541 119.793 120.200 0.222 0.000 2.209 239 E HA -0.279 4.071 4.350 -0.001 0.000 0.196 239 E C 2.006 178.694 176.600 0.145 0.000 0.993 239 E CA 1.356 57.900 56.400 0.239 0.000 0.819 239 E CB -0.852 29.070 29.700 0.369 0.000 0.745 239 E HN 0.714 nan 8.360 nan 0.000 0.477 240 Y N 2.411 122.727 120.300 0.026 0.000 2.193 240 Y HA -0.227 4.322 4.550 -0.001 0.000 0.285 240 Y C 1.649 177.499 175.900 -0.083 0.000 1.166 240 Y CA 1.821 59.941 58.100 0.033 0.000 1.181 240 Y CB 0.068 38.603 38.460 0.125 0.000 0.976 240 Y HN -0.000 nan 8.280 nan 0.000 0.520 241 D N -0.629 119.681 120.400 -0.150 0.000 2.350 241 D HA -0.136 4.503 4.640 -0.001 0.000 0.216 241 D C 0.790 176.779 176.300 -0.518 0.000 0.968 241 D CA 0.900 54.672 54.000 -0.381 0.000 0.894 241 D CB -0.231 40.221 40.800 -0.579 0.000 0.909 241 D HN 0.382 nan 8.370 nan 0.000 0.520 242 F N 0.792 120.661 119.950 -0.134 0.000 2.645 242 F HA 0.229 4.756 4.527 -0.001 0.000 0.300 242 F C 1.080 176.798 175.800 -0.137 0.000 1.115 242 F CA -0.252 57.670 58.000 -0.130 0.000 1.355 242 F CB -0.333 38.591 39.000 -0.127 0.000 1.026 242 F HN -0.240 nan 8.300 nan 0.000 0.536 243 L N -0.338 120.836 121.223 -0.083 0.000 2.466 243 L HA 0.192 4.531 4.340 -0.001 0.000 0.257 243 L C 0.914 177.715 176.870 -0.115 0.000 1.189 243 L CA -0.421 54.335 54.840 -0.140 0.000 0.813 243 L CB 0.418 42.304 42.059 -0.287 0.000 1.118 243 L HN -0.105 nan 8.230 nan 0.000 0.471 244 S N 0.281 115.906 115.700 -0.125 0.000 2.516 244 S HA 0.139 4.608 4.470 -0.001 0.000 0.282 244 S C 0.314 174.854 174.600 -0.100 0.000 1.286 244 S CA -0.642 57.493 58.200 -0.108 0.000 1.066 244 S CB 0.539 63.666 63.200 -0.123 0.000 0.884 244 S HN 0.714 nan 8.310 nan 0.000 0.491 245 T N 0.999 115.508 114.554 -0.074 0.000 2.852 245 T HA 0.512 4.861 4.350 -0.001 0.000 0.281 245 T C -0.239 174.425 174.700 -0.060 0.000 0.993 245 T CA -0.906 61.162 62.100 -0.054 0.000 0.933 245 T CB 0.670 69.516 68.868 -0.037 0.000 1.187 245 T HN 0.575 nan 8.240 nan 0.000 0.559 246 E N 0.330 120.505 120.200 -0.042 0.000 2.183 246 E HA 0.252 4.601 4.350 -0.001 0.000 0.271 246 E C 0.945 177.512 176.600 -0.056 0.000 0.919 246 E CA -0.571 55.782 56.400 -0.079 0.000 0.781 246 E CB 1.064 30.682 29.700 -0.136 0.000 1.140 246 E HN 0.887 nan 8.360 nan 0.000 0.402 247 Q N 1.833 121.589 119.800 -0.073 0.000 2.253 247 Q HA -0.471 3.868 4.340 -0.001 0.000 0.335 247 Q C 1.113 177.094 176.000 -0.031 0.000 2.262 247 Q CA 2.567 58.338 55.803 -0.053 0.000 0.712 247 Q CB -0.929 27.778 28.738 -0.052 0.000 1.043 247 Q HN 0.542 nan 8.270 nan 0.000 0.785 248 Q N 0.908 120.698 119.800 -0.016 0.000 2.313 248 Q HA 0.170 4.509 4.340 -0.001 0.000 0.263 248 Q C -0.006 175.995 176.000 0.001 0.000 0.820 248 Q CA 0.958 56.757 55.803 -0.007 0.000 0.974 248 Q CB 1.080 29.816 28.738 -0.003 0.000 1.156 248 Q HN 0.709 nan 8.270 nan 0.000 0.517 249 T N -0.627 113.934 114.554 0.013 0.000 2.813 249 T HA 0.149 4.498 4.350 -0.001 0.000 0.297 249 T C 0.424 175.132 174.700 0.013 0.000 1.036 249 T CA 0.079 62.192 62.100 0.022 0.000 1.044 249 T CB 0.764 69.663 68.868 0.052 0.000 0.993 249 T HN 0.338 nan 8.240 nan 0.000 0.535 250 D N -0.383 120.021 120.400 0.008 0.000 2.328 250 D HA 0.142 4.781 4.640 -0.001 0.000 0.226 250 D C 0.242 176.540 176.300 -0.004 0.000 1.066 250 D CA -0.275 53.722 54.000 -0.005 0.000 0.861 250 D CB -0.425 40.368 40.800 -0.011 0.000 0.912 250 D HN 0.433 nan 8.370 nan 0.000 0.521 251 L N 0.789 122.026 121.223 0.023 0.000 2.349 251 L HA 0.330 4.669 4.340 -0.001 0.000 0.275 251 L C 0.911 177.810 176.870 0.048 0.000 1.115 251 L CA -0.767 54.098 54.840 0.042 0.000 0.820 251 L CB 0.833 42.956 42.059 0.106 0.000 1.135 251 L HN -0.092 nan 8.230 nan 0.000 0.445 252 R N 1.264 121.764 120.500 0.001 0.000 2.594 252 R HA 0.158 4.497 4.340 -0.001 0.000 0.272 252 R C 0.077 176.418 176.300 0.069 0.000 1.074 252 R CA -0.395 55.687 56.100 -0.031 0.000 1.105 252 R CB 0.686 30.899 30.300 -0.144 0.000 1.008 252 R HN 0.619 nan 8.270 nan 0.000 0.472 253 S N 2.311 118.009 115.700 -0.003 0.000 2.715 253 S HA -0.141 4.328 4.470 -0.001 0.000 0.318 253 S C 0.128 174.834 174.600 0.175 0.000 1.242 253 S CA 0.575 58.762 58.200 -0.022 0.000 1.044 253 S CB -0.030 63.111 63.200 -0.099 0.000 0.760 253 S HN 0.743 nan 8.310 nan 0.000 0.501 254 Y N 0.263 120.698 120.300 0.225 0.000 2.729 254 Y HA 0.451 5.000 4.550 -0.001 0.000 0.266 254 Y C 0.978 177.099 175.900 0.368 0.000 1.064 254 Y CA -0.603 57.772 58.100 0.458 0.000 1.251 254 Y CB 0.005 38.644 38.460 0.298 0.000 1.379 254 Y HN 0.453 nan 8.280 nan 0.000 0.569 255 R N -0.005 120.375 120.500 -0.199 0.000 2.317 255 R HA 0.099 4.438 4.340 -0.001 0.000 0.208 255 R C 0.279 176.687 176.300 0.181 0.000 0.914 255 R CA 0.237 56.067 56.100 -0.450 0.000 1.060 255 R CB 0.310 30.231 30.300 -0.631 0.000 1.015 255 R HN 0.522 nan 8.270 nan 0.000 0.498 256 W N -0.787 120.552 121.300 0.064 0.000 3.229 256 W HA 0.355 5.014 4.660 -0.001 0.000 0.594 256 W C -0.362 176.062 176.519 -0.159 0.000 1.525 256 W CA -0.161 57.149 57.345 -0.058 0.000 0.876 256 W CB 1.399 30.757 29.460 -0.169 0.000 3.046 256 W HN -0.265 nan 8.180 nan 0.000 0.703 257 T N 0.221 114.458 114.554 -0.528 0.000 2.718 257 T HA 0.291 4.640 4.350 -0.001 0.000 0.306 257 T C -1.360 173.062 174.700 -0.464 0.000 1.485 257 T CA -0.712 60.980 62.100 -0.680 0.000 0.997 257 T CB 0.881 69.679 68.868 -0.116 0.000 1.504 257 T HN 0.294 nan 8.240 nan 0.000 0.497 258 I N 2.401 122.831 120.570 -0.234 0.000 2.556 258 I HA 0.581 4.751 4.170 -0.001 0.000 0.284 258 I C -0.085 176.067 176.117 0.058 0.000 1.114 258 I CA 0.284 61.571 61.300 -0.022 0.000 1.418 258 I CB 0.124 38.191 38.000 0.113 0.000 1.394 258 I HN 0.848 nan 8.210 nan 0.000 0.552 259 A N 7.986 130.693 122.820 -0.188 0.000 2.557 259 A HA 0.266 4.585 4.320 -0.001 0.000 0.292 259 A C 0.150 177.018 177.584 -1.192 0.000 1.139 259 A CA -0.529 51.298 52.037 -0.348 0.000 0.665 259 A CB 0.123 19.126 19.000 0.005 0.000 1.285 259 A HN 0.931 nan 8.150 nan 0.000 0.433 260 W N -0.357 120.299 121.300 -1.072 0.000 2.336 260 W HA -0.201 4.458 4.660 -0.001 0.000 0.277 260 W C 0.251 176.219 176.519 -0.919 0.000 1.211 260 W CA 2.213 58.852 57.345 -1.176 0.000 1.187 260 W CB -0.587 28.602 29.460 -0.451 0.000 1.132 260 W HN 0.837 nan 8.180 nan 0.000 0.562 261 D N 0.130 119.702 120.400 -1.379 0.000 2.338 261 D HA -0.088 4.551 4.640 -0.001 0.000 0.224 261 D C -0.080 175.976 176.300 -0.407 0.000 0.967 261 D CA 0.572 54.045 54.000 -0.879 0.000 0.896 261 D CB 0.097 40.240 40.800 -1.095 0.000 1.028 261 D HN -0.191 nan 8.370 nan 0.000 0.493 262 D N -0.277 119.868 120.400 -0.424 0.000 2.414 262 D HA 0.218 4.857 4.640 -0.001 0.000 0.232 262 D C -0.396 175.742 176.300 -0.270 0.000 1.070 262 D CA -0.293 53.565 54.000 -0.238 0.000 0.839 262 D CB 1.388 42.134 40.800 -0.089 0.000 1.079 262 D HN -0.137 nan 8.370 nan 0.000 0.521 263 K N 0.862 121.061 120.400 -0.336 0.000 2.372 263 K HA 0.174 4.493 4.320 -0.001 0.000 0.200 263 K C 1.678 178.036 176.600 -0.403 0.000 1.022 263 K CA -0.071 55.921 56.287 -0.492 0.000 1.125 263 K CB 0.481 32.444 32.500 -0.895 0.000 0.855 263 K HN 0.121 nan 8.250 nan 0.000 0.524 264 S N 0.448 115.875 115.700 -0.456 0.000 2.365 264 S HA -0.204 4.265 4.470 -0.001 0.000 0.225 264 S C 1.354 175.131 174.600 -1.372 0.000 1.039 264 S CA 1.492 59.229 58.200 -0.771 0.000 1.033 264 S CB -0.419 62.243 63.200 -0.897 0.000 0.887 264 S HN 0.363 nan 8.310 nan 0.000 0.447 265 Y N 1.709 121.292 120.300 -1.196 0.000 2.224 265 Y HA -0.062 4.487 4.550 -0.001 0.000 0.289 265 Y C 2.803 178.208 175.900 -0.827 0.000 1.146 265 Y CA 0.777 57.965 58.100 -1.519 0.000 1.182 265 Y CB -1.150 36.286 38.460 -1.707 0.000 0.983 265 Y HN 0.338 nan 8.280 nan 0.000 0.524 266 G N -0.366 108.281 108.800 -0.255 0.000 2.421 266 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.216 266 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.216 266 G C 1.803 176.745 174.900 0.070 0.000 1.171 266 G CA 1.699 46.891 45.100 0.155 0.000 0.775 266 G HN 0.464 nan 8.290 nan 0.000 0.543 267 T N -1.348 113.187 114.554 -0.031 0.000 2.788 267 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 267 T C 2.114 176.864 174.700 0.083 0.000 1.044 267 T CA 1.412 63.506 62.100 -0.010 0.000 1.139 267 T CB -0.499 68.435 68.868 0.110 0.000 0.867 267 T HN 0.244 nan 8.240 nan 0.000 0.454 268 Y N 1.647 121.984 120.300 0.061 0.000 2.081 268 Y HA -0.043 4.506 4.550 -0.001 0.000 0.280 268 Y C 2.913 178.824 175.900 0.017 0.000 1.163 268 Y CA -0.092 58.075 58.100 0.111 0.000 1.135 268 Y CB -1.367 37.136 38.460 0.072 0.000 0.970 268 Y HN 0.138 nan 8.280 nan 0.000 0.498 269 V N -0.232 119.792 119.914 0.184 0.000 2.379 269 V HA -0.233 3.887 4.120 -0.001 0.000 0.245 269 V C 2.472 178.625 176.094 0.098 0.000 1.044 269 V CA 1.216 63.603 62.300 0.145 0.000 1.036 269 V CB -0.851 31.114 31.823 0.236 0.000 0.664 269 V HN 0.303 nan 8.190 nan 0.000 0.453 270 L N -0.572 120.595 121.223 -0.094 0.000 2.017 270 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 270 L C 2.394 179.036 176.870 -0.380 0.000 1.073 270 L CA 1.652 56.235 54.840 -0.428 0.000 0.745 270 L CB -0.532 40.838 42.059 -1.148 0.000 0.894 270 L HN 0.291 nan 8.230 nan 0.000 0.432 271 L N -0.723 120.237 121.223 -0.438 0.000 2.156 271 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 271 L C 2.837 179.531 176.870 -0.292 0.000 1.095 271 L CA 0.826 55.330 54.840 -0.559 0.000 0.770 271 L CB -0.711 40.548 42.059 -1.333 0.000 0.914 271 L HN 0.227 nan 8.230 nan 0.000 0.439 272 A N 0.332 123.116 122.820 -0.059 0.000 1.902 272 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 272 A C 2.415 180.119 177.584 0.199 0.000 1.181 272 A CA 1.853 54.025 52.037 0.226 0.000 0.623 272 A CB -0.374 18.843 19.000 0.362 0.000 0.818 272 A HN 0.318 nan 8.150 nan 0.000 0.443 273 K N -0.627 119.872 120.400 0.166 0.000 2.097 273 K HA -0.190 4.130 4.320 -0.001 0.000 0.205 273 K C 2.016 178.693 176.600 0.129 0.000 1.050 273 K CA 1.687 58.071 56.287 0.162 0.000 0.938 273 K CB -0.076 32.528 32.500 0.173 0.000 0.718 273 K HN 0.413 nan 8.250 nan 0.000 0.442 274 E N -0.131 120.134 120.200 0.108 0.000 2.033 274 E HA -0.111 4.238 4.350 -0.001 0.000 0.189 274 E C 1.867 178.534 176.600 0.113 0.000 0.979 274 E CA 2.156 58.636 56.400 0.132 0.000 0.802 274 E CB -0.116 29.697 29.700 0.188 0.000 0.763 274 E HN 0.456 nan 8.360 nan 0.000 0.449 275 T N -3.810 110.808 114.554 0.107 0.000 2.939 275 T HA 0.211 4.560 4.350 -0.001 0.000 0.254 275 T C 1.669 176.447 174.700 0.132 0.000 1.041 275 T CA 0.885 63.062 62.100 0.129 0.000 1.142 275 T CB -0.113 68.876 68.868 0.202 0.000 0.874 275 T HN 0.397 nan 8.240 nan 0.000 0.452 276 G N 1.658 110.558 108.800 0.166 0.000 2.141 276 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.242 276 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.242 276 G C -0.076 174.894 174.900 0.116 0.000 0.982 276 G CA 0.028 45.210 45.100 0.137 0.000 0.662 276 G HN 0.708 nan 8.290 nan 0.000 0.527 277 K N -0.124 120.358 120.400 0.137 0.000 2.350 277 K HA 0.282 4.602 4.320 -0.001 0.000 0.279 277 K C 1.343 177.913 176.600 -0.050 0.000 1.027 277 K CA -0.076 56.202 56.287 -0.017 0.000 0.969 277 K CB 0.909 33.288 32.500 -0.201 0.000 0.954 277 K HN 0.165 nan 8.250 nan 0.000 0.474 278 Q N 3.471 123.231 119.800 -0.067 0.000 2.152 278 Q HA -0.250 4.089 4.340 -0.001 0.000 0.206 278 Q C 1.814 177.758 176.000 -0.094 0.000 0.985 278 Q CA 1.854 57.632 55.803 -0.042 0.000 0.863 278 Q CB -0.017 28.696 28.738 -0.042 0.000 0.904 278 Q HN 0.575 nan 8.270 nan 0.000 0.422 279 K N -1.150 119.105 120.400 -0.240 0.000 2.059 279 K HA -0.253 4.066 4.320 -0.001 0.000 0.212 279 K C 1.703 178.152 176.600 -0.251 0.000 1.050 279 K CA 1.917 58.010 56.287 -0.323 0.000 0.927 279 K CB -0.329 31.827 32.500 -0.573 0.000 0.714 279 K HN 0.298 nan 8.250 nan 0.000 0.447 280 Y N 0.801 121.054 120.300 -0.079 0.000 2.220 280 Y HA -0.054 4.496 4.550 -0.001 0.000 0.291 280 Y C 2.193 178.111 175.900 0.029 0.000 1.129 280 Y CA 0.743 58.807 58.100 -0.059 0.000 1.161 280 Y CB -0.440 37.964 38.460 -0.093 0.000 0.997 280 Y HN 0.020 nan 8.280 nan 0.000 0.522 281 I N 0.080 120.781 120.570 0.218 0.000 2.194 281 I HA -0.329 3.840 4.170 -0.001 0.000 0.246 281 I C 1.811 178.036 176.117 0.181 0.000 1.093 281 I CA 1.593 63.050 61.300 0.262 0.000 1.355 281 I CB -0.362 37.779 38.000 0.234 0.000 1.046 281 I HN 0.203 nan 8.210 nan 0.000 0.413 282 D N 0.918 121.368 120.400 0.082 0.000 2.097 282 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 282 D C 1.798 178.098 176.300 -0.000 0.000 0.989 282 D CA 1.318 55.341 54.000 0.038 0.000 0.827 282 D CB -0.423 40.370 40.800 -0.011 0.000 0.966 282 D HN 0.299 nan 8.370 nan 0.000 0.456 283 D N 0.723 121.078 120.400 -0.075 0.000 2.092 283 D HA -0.125 4.514 4.640 -0.001 0.000 0.193 283 D C 2.044 178.277 176.300 -0.111 0.000 0.994 283 D CA 1.464 55.300 54.000 -0.274 0.000 0.828 283 D CB -0.422 39.973 40.800 -0.674 0.000 0.963 283 D HN 0.140 nan 8.370 nan 0.000 0.450 284 A N 0.837 123.665 122.820 0.013 0.000 1.908 284 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 284 A C 2.002 179.620 177.584 0.056 0.000 1.181 284 A CA 1.741 53.826 52.037 0.080 0.000 0.627 284 A CB -0.898 17.890 19.000 -0.354 0.000 0.818 284 A HN 0.280 nan 8.150 nan 0.000 0.445 285 N N -1.210 117.567 118.700 0.129 0.000 2.084 285 N HA -0.172 4.567 4.740 -0.001 0.000 0.190 285 N C 2.121 177.741 175.510 0.184 0.000 1.030 285 N CA 1.144 54.334 53.050 0.234 0.000 0.849 285 N CB -0.171 38.467 38.487 0.252 0.000 1.012 285 N HN 0.481 nan 8.380 nan 0.000 0.423 286 R N 0.111 120.684 120.500 0.122 0.000 2.091 286 R HA -0.193 4.146 4.340 -0.001 0.000 0.238 286 R C 2.089 178.533 176.300 0.240 0.000 1.136 286 R CA 1.528 57.658 56.100 0.050 0.000 0.959 286 R CB -0.261 29.960 30.300 -0.132 0.000 0.856 286 R HN 0.394 nan 8.270 nan 0.000 0.437 287 W N 1.163 122.588 121.300 0.207 0.000 2.353 287 W HA -0.151 4.508 4.660 -0.001 0.000 0.319 287 W C 1.543 178.288 176.519 0.376 0.000 1.207 287 W CA 1.271 58.874 57.345 0.431 0.000 1.291 287 W CB -0.754 29.022 29.460 0.527 0.000 1.159 287 W HN 0.030 nan 8.180 nan 0.000 0.478 288 L N 0.721 121.816 121.223 -0.213 0.000 2.265 288 L HA -0.191 4.148 4.340 -0.001 0.000 0.215 288 L C 2.067 178.871 176.870 -0.110 0.000 1.117 288 L CA 1.460 55.939 54.840 -0.603 0.000 0.782 288 L CB -0.782 40.616 42.059 -1.102 0.000 0.914 288 L HN -0.039 nan 8.230 nan 0.000 0.441 289 D N -0.867 119.613 120.400 0.133 0.000 2.123 289 D HA -0.207 4.433 4.640 -0.001 0.000 0.200 289 D C 1.872 178.270 176.300 0.164 0.000 0.976 289 D CA 0.963 55.077 54.000 0.190 0.000 0.831 289 D CB -0.145 40.761 40.800 0.177 0.000 0.974 289 D HN 0.274 nan 8.370 nan 0.000 0.469 290 Y N -0.387 119.994 120.300 0.135 0.000 2.256 290 Y HA -0.221 4.329 4.550 -0.001 0.000 0.288 290 Y C 1.551 177.472 175.900 0.035 0.000 1.155 290 Y CA 1.381 59.568 58.100 0.146 0.000 1.203 290 Y CB -0.385 38.283 38.460 0.346 0.000 0.980 290 Y HN -0.021 nan 8.280 nan 0.000 0.530 291 W N 0.139 121.313 121.300 -0.210 0.000 2.905 291 W HA 0.031 4.690 4.660 -0.001 0.000 0.251 291 W C 2.225 178.538 176.519 -0.342 0.000 1.305 291 W CA 1.595 58.706 57.345 -0.390 0.000 1.465 291 W CB -0.135 28.955 29.460 -0.616 0.000 1.122 291 W HN 0.196 nan 8.180 nan 0.000 0.659 292 T N -4.216 110.297 114.554 -0.070 0.000 3.571 292 T HA -0.014 4.335 4.350 -0.001 0.000 0.217 292 T C 1.674 176.342 174.700 -0.053 0.000 0.925 292 T CA 1.050 63.124 62.100 -0.042 0.000 1.376 292 T CB -0.906 67.957 68.868 -0.009 0.000 1.375 292 T HN -0.130 nan 8.240 nan 0.000 0.404 293 V N -0.276 119.625 119.914 -0.021 0.000 2.788 293 V HA 0.580 4.699 4.120 -0.001 0.000 0.251 293 V C 1.365 177.440 176.094 -0.030 0.000 1.068 293 V CA 0.511 62.790 62.300 -0.035 0.000 1.090 293 V CB -1.369 30.448 31.823 -0.009 0.000 0.710 293 V HN 1.394 nan 8.190 nan 0.000 0.467 294 G N -0.139 108.660 108.800 -0.001 0.000 2.619 294 G HA2 0.244 4.203 3.960 -0.001 0.000 0.686 294 G HA3 0.244 4.203 3.960 -0.001 0.000 0.686 294 G C -0.831 174.127 174.900 0.097 0.000 1.256 294 G CA -0.248 44.871 45.100 0.032 0.000 0.826 294 G HN 1.677 nan 8.290 nan 0.000 0.619 295 V N -2.356 117.661 119.914 0.171 0.000 2.577 295 V HA 0.799 4.918 4.120 -0.001 0.000 0.303 295 V C 0.506 176.671 176.094 0.119 0.000 1.042 295 V CA -0.102 62.264 62.300 0.110 0.000 0.872 295 V CB 1.093 32.932 31.823 0.027 0.000 0.998 295 V HN 1.789 nan 8.190 nan 0.000 0.423 296 N N 3.119 121.859 118.700 0.067 0.000 2.741 296 N HA -0.161 4.578 4.740 -0.001 0.000 0.250 296 N C 1.174 176.730 175.510 0.077 0.000 1.115 296 N CA 1.463 54.552 53.050 0.066 0.000 0.724 296 N CB -1.221 37.312 38.487 0.077 0.000 1.090 296 N HN 2.006 nan 8.380 nan 0.000 0.558 297 G N -1.385 107.458 108.800 0.072 0.000 2.241 297 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.244 297 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.244 297 G C -0.104 174.845 174.900 0.082 0.000 0.998 297 G CA 0.485 45.621 45.100 0.060 0.000 0.621 297 G HN 0.473 nan 8.290 nan 0.000 0.519 298 Q N 0.034 119.922 119.800 0.147 0.000 2.230 298 Q HA 0.702 5.041 4.340 -0.001 0.000 0.248 298 Q C 0.217 176.329 176.000 0.188 0.000 0.915 298 Q CA -0.344 55.587 55.803 0.214 0.000 0.900 298 Q CB 1.586 30.526 28.738 0.338 0.000 1.229 298 Q HN 0.435 nan 8.270 nan 0.000 0.439 299 R N 1.054 121.546 120.500 -0.012 0.000 2.629 299 R HA 0.305 4.645 4.340 -0.001 0.000 0.266 299 R C -1.445 174.466 176.300 -0.649 0.000 1.051 299 R CA -0.600 55.249 56.100 -0.418 0.000 0.895 299 R CB 1.853 32.039 30.300 -0.189 0.000 1.246 299 R HN 0.513 nan 8.270 nan 0.000 0.459 300 V N 4.517 123.734 119.914 -1.162 0.000 2.788 300 V HA 0.169 4.289 4.120 -0.001 0.000 0.307 300 V C -2.075 173.772 176.094 -0.413 0.000 1.069 300 V CA -1.034 60.723 62.300 -0.904 0.000 1.173 300 V CB 0.794 31.806 31.823 -1.352 0.000 0.925 300 V HN 0.700 nan 8.190 nan 0.000 0.492 301 P HA 0.133 nan 4.420 nan 0.000 0.265 301 P C -1.557 175.632 177.300 -0.186 0.000 1.193 301 P CA 0.594 63.594 63.100 -0.167 0.000 0.765 301 P CB 0.122 31.727 31.700 -0.159 0.000 0.823 302 Y N 0.556 120.775 120.300 -0.136 0.000 2.462 302 Y HA 0.361 4.910 4.550 -0.001 0.000 0.346 302 Y C 0.805 176.668 175.900 -0.062 0.000 0.976 302 Y CA -0.276 57.767 58.100 -0.095 0.000 1.044 302 Y CB 1.661 40.081 38.460 -0.065 0.000 1.230 302 Y HN 0.313 nan 8.280 nan 0.000 0.455 303 S N 2.388 118.133 115.700 0.076 0.000 2.652 303 S HA 0.372 4.841 4.470 -0.001 0.000 0.270 303 S C -2.209 172.469 174.600 0.130 0.000 1.243 303 S CA -1.244 56.998 58.200 0.070 0.000 0.999 303 S CB 1.698 64.918 63.200 0.033 0.000 0.973 303 S HN 0.451 nan 8.310 nan 0.000 0.544 304 P HA 0.042 nan 4.420 nan 0.000 0.218 304 P C 1.453 178.837 177.300 0.140 0.000 1.148 304 P CA 1.320 64.482 63.100 0.103 0.000 0.822 304 P CB -0.364 31.384 31.700 0.079 0.000 0.784 305 G N -1.622 107.290 108.800 0.187 0.000 2.776 305 G HA2 0.163 4.123 3.960 -0.001 0.000 0.209 305 G HA3 0.163 4.123 3.960 -0.001 0.000 0.209 305 G C 1.128 176.235 174.900 0.345 0.000 1.145 305 G CA 0.537 45.801 45.100 0.273 0.000 0.791 305 G HN 0.419 nan 8.290 nan 0.000 0.530 306 G N -0.865 108.096 108.800 0.269 0.000 2.176 306 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.232 306 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.232 306 G C 0.326 175.325 174.900 0.165 0.000 0.986 306 G CA 0.280 45.561 45.100 0.302 0.000 0.643 306 G HN 0.604 nan 8.290 nan 0.000 0.522 307 M N 1.533 121.033 119.600 -0.167 0.000 2.180 307 M HA 0.680 5.160 4.480 -0.001 0.000 0.358 307 M C 0.560 176.537 176.300 -0.539 0.000 1.233 307 M CA -0.108 54.839 55.300 -0.590 0.000 1.114 307 M CB 1.016 32.929 32.600 -1.145 0.000 1.594 307 M HN 0.644 nan 8.290 nan 0.000 0.467 308 A N 5.599 128.054 122.820 -0.608 0.000 2.310 308 A HA 0.511 4.830 4.320 -0.001 0.000 0.300 308 A C -0.700 176.644 177.584 -0.400 0.000 1.269 308 A CA -0.603 50.989 52.037 -0.741 0.000 0.909 308 A CB -0.188 18.598 19.000 -0.358 0.000 1.144 308 A HN 0.683 nan 8.150 nan 0.000 0.540 309 V N 5.146 124.820 119.914 -0.401 0.000 2.304 309 V HA 0.103 4.222 4.120 -0.001 0.000 0.269 309 V C 1.037 176.951 176.094 -0.299 0.000 1.036 309 V CA -0.202 61.938 62.300 -0.267 0.000 0.840 309 V CB 0.632 32.334 31.823 -0.201 0.000 1.036 309 V HN 0.927 nan 8.190 nan 0.000 0.466 310 L N 3.054 124.101 121.223 -0.293 0.000 2.209 310 L HA 0.379 4.718 4.340 -0.001 0.000 0.207 310 L C 0.510 177.142 176.870 -0.397 0.000 1.094 310 L CA 1.740 56.292 54.840 -0.480 0.000 0.790 310 L CB 0.129 41.795 42.059 -0.655 0.000 0.932 310 L HN 0.800 nan 8.230 nan 0.000 0.447 311 D N -4.255 116.047 120.400 -0.164 0.000 2.665 311 D HA 0.222 4.861 4.640 -0.001 0.000 0.287 311 D C 0.628 177.003 176.300 0.125 0.000 1.266 311 D CA 0.278 54.292 54.000 0.023 0.000 0.830 311 D CB 1.170 42.042 40.800 0.121 0.000 1.356 311 D HN -0.146 nan 8.370 nan 0.000 0.437 312 T N -0.603 114.052 114.554 0.167 0.000 2.857 312 T HA -0.041 4.308 4.350 -0.001 0.000 0.266 312 T C 0.497 175.312 174.700 0.192 0.000 1.048 312 T CA 0.488 62.665 62.100 0.128 0.000 1.139 312 T CB -0.066 68.859 68.868 0.095 0.000 0.874 312 T HN 0.270 nan 8.240 nan 0.000 0.455 313 W N 2.528 123.906 121.300 0.130 0.000 2.332 313 W HA 0.487 5.146 4.660 -0.001 0.000 0.306 313 W C 0.840 177.402 176.519 0.071 0.000 1.149 313 W CA -0.813 56.618 57.345 0.143 0.000 1.271 313 W CB -0.437 29.150 29.460 0.213 0.000 1.243 313 W HN 0.531 nan 8.180 nan 0.000 0.459 314 G N 4.119 113.096 108.800 0.295 0.000 2.295 314 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.287 314 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.287 314 G C 0.997 175.665 174.900 -0.386 0.000 1.055 314 G CA 0.472 45.407 45.100 -0.275 0.000 0.922 314 G HN 0.971 nan 8.290 nan 0.000 0.503 315 A N -0.421 122.314 122.820 -0.141 0.000 1.892 315 A HA -0.025 4.294 4.320 -0.001 0.000 0.218 315 A C 2.527 180.008 177.584 -0.172 0.000 1.188 315 A CA 1.923 53.918 52.037 -0.069 0.000 0.631 315 A CB -0.318 18.627 19.000 -0.092 0.000 0.822 315 A HN 0.946 nan 8.150 nan 0.000 0.447 316 L N -0.845 120.198 121.223 -0.300 0.000 2.131 316 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 316 L C 2.840 179.540 176.870 -0.284 0.000 1.092 316 L CA 1.458 56.116 54.840 -0.303 0.000 0.759 316 L CB -0.553 41.284 42.059 -0.370 0.000 0.903 316 L HN 0.491 nan 8.230 nan 0.000 0.435 317 R N 0.086 120.323 120.500 -0.438 0.000 2.073 317 R HA -0.217 4.122 4.340 -0.001 0.000 0.234 317 R C 2.285 178.476 176.300 -0.183 0.000 1.134 317 R CA 1.883 57.753 56.100 -0.383 0.000 0.952 317 R CB -0.567 29.321 30.300 -0.687 0.000 0.850 317 R HN 0.234 nan 8.270 nan 0.000 0.433 318 Y N 0.681 120.929 120.300 -0.087 0.000 2.114 318 Y HA -0.097 4.452 4.550 -0.001 0.000 0.284 318 Y C 2.669 178.527 175.900 -0.070 0.000 1.143 318 Y CA 1.334 59.402 58.100 -0.054 0.000 1.135 318 Y CB -1.103 37.317 38.460 -0.066 0.000 0.980 318 Y HN 0.229 nan 8.280 nan 0.000 0.499 319 A N 0.044 122.946 122.820 0.137 0.000 1.940 319 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 319 A C 2.459 180.013 177.584 -0.051 0.000 1.176 319 A CA 2.106 54.176 52.037 0.055 0.000 0.631 319 A CB -1.243 17.761 19.000 0.006 0.000 0.814 319 A HN 0.427 nan 8.150 nan 0.000 0.446 320 A N 0.023 122.836 122.820 -0.012 0.000 1.930 320 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 320 A C 1.907 179.554 177.584 0.105 0.000 1.175 320 A CA 1.671 53.746 52.037 0.064 0.000 0.627 320 A CB -0.550 18.534 19.000 0.139 0.000 0.815 320 A HN 0.533 nan 8.150 nan 0.000 0.443 321 N N 0.053 118.825 118.700 0.120 0.000 2.120 321 N HA -0.101 4.638 4.740 -0.001 0.000 0.188 321 N C 1.697 177.300 175.510 0.153 0.000 1.024 321 N CA 2.006 55.182 53.050 0.211 0.000 0.852 321 N CB -0.858 37.781 38.487 0.252 0.000 1.003 321 N HN 0.498 nan 8.380 nan 0.000 0.424 322 T N 0.652 115.178 114.554 -0.047 0.000 2.821 322 T HA 0.006 4.355 4.350 -0.001 0.000 0.267 322 T C 1.974 176.638 174.700 -0.060 0.000 1.046 322 T CA 1.166 63.133 62.100 -0.221 0.000 1.139 322 T CB -0.324 68.040 68.868 -0.840 0.000 0.871 322 T HN 0.312 nan 8.240 nan 0.000 0.454 323 A N 1.388 124.187 122.820 -0.035 0.000 1.902 323 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 323 A C 1.976 179.564 177.584 0.007 0.000 1.181 323 A CA 1.317 53.310 52.037 -0.074 0.000 0.623 323 A CB -0.895 18.004 19.000 -0.168 0.000 0.818 323 A HN 0.456 nan 8.150 nan 0.000 0.443 324 F N 1.118 121.016 119.950 -0.087 0.000 2.031 324 F HA -0.148 4.378 4.527 -0.001 0.000 0.295 324 F C 2.247 177.981 175.800 -0.111 0.000 1.133 324 F CA 2.024 59.950 58.000 -0.124 0.000 1.188 324 F CB -0.877 38.034 39.000 -0.148 0.000 0.974 324 F HN 0.011 nan 8.300 nan 0.000 0.473 325 V N 1.274 120.916 119.914 -0.452 0.000 2.380 325 V HA -0.350 3.769 4.120 -0.001 0.000 0.251 325 V C 2.831 178.811 176.094 -0.191 0.000 1.063 325 V CA 1.915 63.975 62.300 -0.400 0.000 1.055 325 V CB -1.982 29.942 31.823 0.168 0.000 0.657 325 V HN 0.565 nan 8.190 nan 0.000 0.455 326 A N -0.112 122.626 122.820 -0.137 0.000 1.883 326 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 326 A C 2.240 179.864 177.584 0.067 0.000 1.186 326 A CA 2.052 54.062 52.037 -0.045 0.000 0.624 326 A CB -0.577 18.477 19.000 0.090 0.000 0.822 326 A HN 0.512 nan 8.150 nan 0.000 0.444 327 L N -0.587 120.630 121.223 -0.010 0.000 2.046 327 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 327 L C 2.560 179.446 176.870 0.025 0.000 1.077 327 L CA 1.142 55.999 54.840 0.029 0.000 0.747 327 L CB -0.607 41.441 42.059 -0.018 0.000 0.896 327 L HN 0.266 nan 8.230 nan 0.000 0.432 328 V N -1.041 118.800 119.914 -0.122 0.000 2.261 328 V HA -0.340 3.779 4.120 -0.001 0.000 0.246 328 V C 2.242 178.424 176.094 0.147 0.000 1.047 328 V CA 1.902 64.174 62.300 -0.046 0.000 1.015 328 V CB -0.698 31.001 31.823 -0.206 0.000 0.642 328 V HN 0.358 nan 8.190 nan 0.000 0.446 329 Y N 1.329 121.650 120.300 0.036 0.000 2.224 329 Y HA -0.171 4.379 4.550 -0.001 0.000 0.289 329 Y C 2.395 178.390 175.900 0.158 0.000 1.146 329 Y CA 0.893 59.057 58.100 0.106 0.000 1.182 329 Y CB -0.735 37.763 38.460 0.063 0.000 0.983 329 Y HN 0.173 nan 8.280 nan 0.000 0.524 330 A N -0.154 122.782 122.820 0.193 0.000 2.076 330 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 330 A C 2.202 179.819 177.584 0.054 0.000 1.160 330 A CA 1.854 53.987 52.037 0.160 0.000 0.653 330 A CB -0.474 18.685 19.000 0.264 0.000 0.801 330 A HN 0.510 nan 8.150 nan 0.000 0.455 331 K N -0.605 119.828 120.400 0.054 0.000 2.262 331 K HA 0.023 4.342 4.320 -0.001 0.000 0.200 331 K C 1.819 178.422 176.600 0.004 0.000 1.049 331 K CA 1.131 57.438 56.287 0.033 0.000 0.979 331 K CB 0.019 32.556 32.500 0.062 0.000 0.773 331 K HN 0.521 nan 8.250 nan 0.000 0.474 332 V N -1.008 118.892 119.914 -0.022 0.000 2.685 332 V HA 0.134 4.253 4.120 -0.001 0.000 0.244 332 V C 1.112 177.139 176.094 -0.112 0.000 1.054 332 V CA 0.097 62.378 62.300 -0.032 0.000 1.076 332 V CB -0.252 31.596 31.823 0.040 0.000 0.725 332 V HN 0.099 nan 8.190 nan 0.000 0.467 333 I N 1.768 122.176 120.570 -0.271 0.000 2.588 333 I HA 0.103 4.272 4.170 -0.001 0.000 0.283 333 I C 1.130 177.181 176.117 -0.110 0.000 1.119 333 I CA 0.242 61.395 61.300 -0.246 0.000 1.419 333 I CB 0.829 38.585 38.000 -0.408 0.000 1.394 333 I HN 0.233 nan 8.210 nan 0.000 0.562 334 D N 4.336 124.698 120.400 -0.063 0.000 2.271 334 D HA -0.076 4.563 4.640 -0.001 0.000 0.206 334 D C 0.189 176.465 176.300 -0.039 0.000 0.967 334 D CA 0.567 54.544 54.000 -0.038 0.000 0.867 334 D CB 0.006 40.794 40.800 -0.019 0.000 0.960 334 D HN 0.564 nan 8.370 nan 0.000 0.509 335 D N 1.560 121.935 120.400 -0.041 0.000 2.479 335 D HA -0.044 4.596 4.640 -0.001 0.000 0.257 335 D C -1.577 174.687 176.300 -0.061 0.000 1.230 335 D CA -1.276 52.699 54.000 -0.042 0.000 0.912 335 D CB 1.685 42.464 40.800 -0.035 0.000 1.130 335 D HN -0.030 nan 8.370 nan 0.000 0.515 336 P HA -0.159 nan 4.420 nan 0.000 0.215 336 P C 1.602 178.861 177.300 -0.068 0.000 1.153 336 P CA 0.511 63.580 63.100 -0.052 0.000 0.853 336 P CB 0.343 32.021 31.700 -0.037 0.000 0.788 337 V N -0.026 119.844 119.914 -0.073 0.000 2.261 337 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 337 V C 2.464 178.456 176.094 -0.170 0.000 1.047 337 V CA 1.862 64.107 62.300 -0.091 0.000 1.015 337 V CB -1.038 30.741 31.823 -0.073 0.000 0.642 337 V HN 0.044 nan 8.190 nan 0.000 0.446 338 R N 0.165 120.530 120.500 -0.226 0.000 2.081 338 R HA -0.208 4.132 4.340 -0.001 0.000 0.235 338 R C 2.449 178.427 176.300 -0.537 0.000 1.131 338 R CA 1.818 57.620 56.100 -0.497 0.000 0.960 338 R CB -0.433 29.671 30.300 -0.327 0.000 0.856 338 R HN 0.503 nan 8.270 nan 0.000 0.436 339 K N 1.103 121.375 120.400 -0.213 0.000 2.063 339 K HA -0.265 4.054 4.320 -0.001 0.000 0.208 339 K C 2.210 178.803 176.600 -0.012 0.000 1.048 339 K CA 1.764 58.010 56.287 -0.068 0.000 0.928 339 K CB -0.019 32.450 32.500 -0.051 0.000 0.713 339 K HN 0.176 nan 8.250 nan 0.000 0.442 340 Q N 0.601 120.371 119.800 -0.050 0.000 2.016 340 Q HA -0.202 4.137 4.340 -0.001 0.000 0.200 340 Q C 2.323 178.360 176.000 0.061 0.000 0.978 340 Q CA 1.392 57.207 55.803 0.019 0.000 0.833 340 Q CB -0.116 28.618 28.738 -0.006 0.000 0.895 340 Q HN 0.308 nan 8.270 nan 0.000 0.427 341 R N -0.702 119.760 120.500 -0.063 0.000 2.097 341 R HA -0.224 4.115 4.340 -0.001 0.000 0.236 341 R C 2.154 178.549 176.300 0.157 0.000 1.135 341 R CA 2.114 58.191 56.100 -0.039 0.000 0.934 341 R CB -0.431 29.720 30.300 -0.248 0.000 0.846 341 R HN 0.332 nan 8.270 nan 0.000 0.431 342 Y N -0.181 120.215 120.300 0.160 0.000 2.145 342 Y HA -0.234 4.315 4.550 -0.001 0.000 0.286 342 Y C 2.584 178.640 175.900 0.261 0.000 1.145 342 Y CA 1.354 59.571 58.100 0.195 0.000 1.148 342 Y CB -1.434 37.123 38.460 0.162 0.000 0.981 342 Y HN 0.333 nan 8.280 nan 0.000 0.507 343 H N 0.462 119.703 119.070 0.285 0.000 2.319 343 H HA -0.154 4.401 4.556 -0.001 0.000 0.299 343 H C 1.178 176.619 175.328 0.189 0.000 1.092 343 H CA 2.058 58.224 56.048 0.197 0.000 1.302 343 H CB -0.065 29.776 29.762 0.132 0.000 1.373 343 H HN 0.269 nan 8.280 nan 0.000 0.497 344 D N 0.005 120.582 120.400 0.295 0.000 2.144 344 D HA -0.135 4.504 4.640 -0.001 0.000 0.200 344 D C 2.069 178.473 176.300 0.173 0.000 0.978 344 D CA 0.808 54.941 54.000 0.221 0.000 0.833 344 D CB -0.761 40.168 40.800 0.214 0.000 0.961 344 D HN 0.373 nan 8.370 nan 0.000 0.470 345 F N 1.612 121.630 119.950 0.114 0.000 2.095 345 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 345 F C 2.100 177.943 175.800 0.071 0.000 1.104 345 F CA 1.682 59.757 58.000 0.124 0.000 1.232 345 F CB -0.424 38.676 39.000 0.166 0.000 0.987 345 F HN -0.049 nan 8.300 nan 0.000 0.475 346 A N 0.444 123.129 122.820 -0.225 0.000 1.858 346 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 346 A C 2.307 179.717 177.584 -0.289 0.000 1.190 346 A CA 2.305 54.125 52.037 -0.361 0.000 0.617 346 A CB -1.485 17.425 19.000 -0.149 0.000 0.827 346 A HN 0.306 nan 8.150 nan 0.000 0.443 347 V N 0.223 120.013 119.914 -0.206 0.000 2.332 347 V HA -0.279 3.841 4.120 -0.001 0.000 0.248 347 V C 2.668 178.731 176.094 -0.052 0.000 1.055 347 V CA 2.470 64.697 62.300 -0.121 0.000 1.038 347 V CB -0.948 30.841 31.823 -0.057 0.000 0.651 347 V HN 0.649 nan 8.190 nan 0.000 0.450 348 R N 0.332 120.801 120.500 -0.052 0.000 2.070 348 R HA -0.148 4.192 4.340 -0.001 0.000 0.233 348 R C 2.341 178.639 176.300 -0.003 0.000 1.137 348 R CA 1.648 57.760 56.100 0.019 0.000 0.945 348 R CB -0.639 29.697 30.300 0.060 0.000 0.845 348 R HN 0.455 nan 8.270 nan 0.000 0.430 349 Q N 0.156 119.841 119.800 -0.192 0.000 2.096 349 Q HA -0.112 4.228 4.340 -0.001 0.000 0.204 349 Q C 2.048 178.026 176.000 -0.036 0.000 0.982 349 Q CA 1.273 56.961 55.803 -0.192 0.000 0.850 349 Q CB -0.243 28.219 28.738 -0.460 0.000 0.901 349 Q HN 0.371 nan 8.270 nan 0.000 0.422 350 I N 1.199 121.743 120.570 -0.044 0.000 2.286 350 I HA -0.198 3.971 4.170 -0.001 0.000 0.245 350 I C 1.674 177.838 176.117 0.079 0.000 1.104 350 I CA 0.920 62.252 61.300 0.052 0.000 1.397 350 I CB -1.216 36.755 38.000 -0.047 0.000 1.072 350 I HN 0.177 nan 8.210 nan 0.000 0.417 351 N N 0.585 119.330 118.700 0.075 0.000 2.149 351 N HA -0.247 4.492 4.740 -0.001 0.000 0.188 351 N C 1.858 177.322 175.510 -0.076 0.000 1.019 351 N CA 1.108 54.176 53.050 0.030 0.000 0.857 351 N CB -0.696 37.943 38.487 0.253 0.000 0.997 351 N HN 0.356 nan 8.380 nan 0.000 0.426 352 Y N 1.295 121.573 120.300 -0.037 0.000 2.128 352 Y HA -0.163 4.386 4.550 -0.001 0.000 0.284 352 Y C 2.215 178.117 175.900 0.003 0.000 1.154 352 Y CA 1.764 59.862 58.100 -0.003 0.000 1.149 352 Y CB -0.612 37.854 38.460 0.010 0.000 0.976 352 Y HN 0.088 nan 8.280 nan 0.000 0.505 353 A N -0.090 122.894 122.820 0.272 0.000 1.972 353 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 353 A C 2.107 179.719 177.584 0.048 0.000 1.169 353 A CA 1.665 53.831 52.037 0.216 0.000 0.635 353 A CB -1.032 18.024 19.000 0.092 0.000 0.810 353 A HN 0.534 nan 8.150 nan 0.000 0.446 354 L N -1.796 119.345 121.223 -0.136 0.000 2.599 354 L HA 0.207 4.547 4.340 -0.001 0.000 0.230 354 L C 1.667 178.206 176.870 -0.552 0.000 1.141 354 L CA 0.624 55.283 54.840 -0.300 0.000 0.877 354 L CB 0.049 41.835 42.059 -0.455 0.000 1.009 354 L HN 0.592 nan 8.230 nan 0.000 0.447 355 G N -0.985 107.522 108.800 -0.489 0.000 2.738 355 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.195 355 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.195 355 G C 0.042 174.869 174.900 -0.122 0.000 1.001 355 G CA -0.324 44.607 45.100 -0.283 0.000 0.759 355 G HN 0.223 nan 8.290 nan 0.000 0.494 356 D N 2.084 122.434 120.400 -0.084 0.000 2.545 356 D HA 0.441 5.080 4.640 -0.001 0.000 0.227 356 D C 0.503 176.688 176.300 -0.192 0.000 1.150 356 D CA 0.144 54.191 54.000 0.078 0.000 1.046 356 D CB -0.684 40.285 40.800 0.282 0.000 1.098 356 D HN 0.661 nan 8.370 nan 0.000 0.502 357 N N 0.072 118.600 118.700 -0.287 0.000 2.972 357 N HA 0.445 5.185 4.740 -0.001 0.000 0.262 357 N C -2.462 172.950 175.510 -0.163 0.000 1.478 357 N CA -1.366 51.425 53.050 -0.432 0.000 0.841 357 N CB 0.522 38.423 38.487 -0.976 0.000 1.512 357 N HN -0.273 nan 8.380 nan 0.000 0.548 358 P HA -0.050 nan 4.420 nan 0.000 0.219 358 P C 0.581 177.869 177.300 -0.021 0.000 1.146 358 P CA 1.267 64.365 63.100 -0.003 0.000 0.808 358 P CB 0.202 31.935 31.700 0.054 0.000 0.779 359 R N -1.815 118.657 120.500 -0.047 0.000 2.276 359 R HA 0.100 4.439 4.340 -0.001 0.000 0.196 359 R C 0.562 176.805 176.300 -0.096 0.000 0.961 359 R CA 0.055 56.124 56.100 -0.051 0.000 1.024 359 R CB -0.534 29.744 30.300 -0.038 0.000 0.940 359 R HN 0.109 nan 8.270 nan 0.000 0.480 360 N N 0.973 119.601 118.700 -0.121 0.000 2.708 360 N HA -0.147 4.592 4.740 -0.001 0.000 0.249 360 N C -1.381 174.046 175.510 -0.139 0.000 1.097 360 N CA 0.877 53.865 53.050 -0.102 0.000 0.710 360 N CB -0.502 37.951 38.487 -0.057 0.000 1.032 360 N HN 0.097 nan 8.380 nan 0.000 0.551 361 S N -0.643 114.907 115.700 -0.249 0.000 2.566 361 S HA 0.430 4.899 4.470 -0.001 0.000 0.298 361 S C -0.158 174.143 174.600 -0.499 0.000 1.083 361 S CA -0.565 57.445 58.200 -0.316 0.000 0.978 361 S CB 2.429 65.443 63.200 -0.311 0.000 1.073 361 S HN 0.283 nan 8.310 nan 0.000 0.491 362 S N 0.106 115.585 115.700 -0.368 0.000 2.603 362 S HA 0.360 4.829 4.470 -0.001 0.000 0.268 362 S C -0.621 173.675 174.600 -0.506 0.000 1.317 362 S CA -0.058 57.956 58.200 -0.311 0.000 1.012 362 S CB 0.114 63.276 63.200 -0.062 0.000 0.926 362 S HN 0.657 nan 8.310 nan 0.000 0.539 363 Y N 1.679 121.902 120.300 -0.129 0.000 2.557 363 Y HA 0.363 4.912 4.550 -0.001 0.000 0.247 363 Y C -0.122 175.677 175.900 -0.168 0.000 1.164 363 Y CA -0.321 57.651 58.100 -0.213 0.000 1.218 363 Y CB 0.614 38.914 38.460 -0.268 0.000 1.210 363 Y HN 0.326 nan 8.280 nan 0.000 0.529 364 V N 1.472 121.403 119.914 0.028 0.000 2.311 364 V HA 0.236 4.355 4.120 -0.001 0.000 0.275 364 V C 0.291 176.447 176.094 0.104 0.000 1.022 364 V CA -1.354 60.966 62.300 0.033 0.000 0.830 364 V CB 0.953 32.837 31.823 0.103 0.000 1.012 364 V HN -0.133 nan 8.190 nan 0.000 0.452 365 V N 4.781 124.727 119.914 0.053 0.000 2.720 365 V HA 0.256 4.375 4.120 -0.001 0.000 0.307 365 V C 1.640 177.816 176.094 0.135 0.000 1.071 365 V CA 1.610 63.948 62.300 0.063 0.000 1.199 365 V CB 0.244 32.081 31.823 0.023 0.000 0.900 365 V HN 1.298 nan 8.190 nan 0.000 0.494 366 G N 3.695 112.552 108.800 0.093 0.000 2.168 366 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.263 366 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.263 366 G C -0.266 174.863 174.900 0.381 0.000 0.977 366 G CA 0.660 45.880 45.100 0.200 0.000 0.659 366 G HN 0.961 nan 8.290 nan 0.000 0.533 367 F N 0.421 120.441 119.950 0.116 0.000 2.565 367 F HA 0.610 5.136 4.527 -0.001 0.000 0.313 367 F C 0.834 176.652 175.800 0.031 0.000 1.091 367 F CA 0.891 58.940 58.000 0.081 0.000 0.915 367 F CB 1.566 40.612 39.000 0.076 0.000 1.208 367 F HN 1.253 nan 8.300 nan 0.000 0.453 368 G N 4.036 112.216 108.800 -1.033 0.000 2.598 368 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.244 368 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.244 368 G C -1.169 173.561 174.900 -0.282 0.000 1.302 368 G CA -0.132 44.555 45.100 -0.688 0.000 0.903 368 G HN 1.059 nan 8.290 nan 0.000 0.575 369 N N 0.982 119.575 118.700 -0.179 0.000 2.455 369 N HA 0.380 5.120 4.740 -0.001 0.000 0.280 369 N C 0.744 176.185 175.510 -0.114 0.000 1.055 369 N CA 0.709 53.687 53.050 -0.120 0.000 0.961 369 N CB 0.366 38.801 38.487 -0.087 0.000 1.121 369 N HN 1.031 nan 8.380 nan 0.000 0.476 370 N N 1.750 120.398 118.700 -0.087 0.000 2.705 370 N HA -0.130 4.610 4.740 -0.001 0.000 0.255 370 N C -2.405 173.053 175.510 -0.087 0.000 1.008 370 N CA -0.231 52.775 53.050 -0.074 0.000 0.742 370 N CB -0.214 38.229 38.487 -0.075 0.000 0.906 370 N HN 0.490 nan 8.380 nan 0.000 0.541 371 P HA 0.292 nan 4.420 nan 0.000 0.274 371 P C -2.658 174.642 177.300 -0.001 0.000 1.246 371 P CA -0.952 62.118 63.100 -0.049 0.000 0.795 371 P CB 0.116 31.814 31.700 -0.003 0.000 1.006 372 P HA 0.235 nan 4.420 nan 0.000 0.268 372 P C 0.602 177.939 177.300 0.063 0.000 1.205 372 P CA 0.127 63.297 63.100 0.117 0.000 0.771 372 P CB 0.498 32.310 31.700 0.187 0.000 0.858 373 R N 1.274 121.808 120.500 0.056 0.000 2.369 373 R HA 0.184 4.524 4.340 -0.001 0.000 0.210 373 R C -0.056 176.258 176.300 0.023 0.000 0.881 373 R CA 0.239 56.351 56.100 0.020 0.000 1.031 373 R CB 0.294 30.599 30.300 0.008 0.000 1.184 373 R HN 0.393 nan 8.270 nan 0.000 0.581 374 N N 1.742 120.468 118.700 0.043 0.000 2.735 374 N HA 0.193 4.932 4.740 -0.001 0.000 0.312 374 N C -2.703 172.853 175.510 0.077 0.000 1.843 374 N CA -1.280 51.794 53.050 0.039 0.000 0.945 374 N CB 1.156 39.641 38.487 -0.002 0.000 1.299 374 N HN 0.092 nan 8.380 nan 0.000 0.489 375 P HA -0.034 nan 4.420 nan 0.000 0.270 375 P C -0.182 177.262 177.300 0.240 0.000 1.223 375 P CA 0.001 63.210 63.100 0.180 0.000 0.785 375 P CB 0.862 32.663 31.700 0.167 0.000 0.923 376 H N 1.565 120.756 119.070 0.201 0.000 3.330 376 H HA 0.094 4.650 4.556 -0.001 0.000 0.260 376 H C -0.330 175.203 175.328 0.340 0.000 1.439 376 H CA 0.540 56.759 56.048 0.285 0.000 1.540 376 H CB -1.020 28.892 29.762 0.249 0.000 1.698 376 H HN 0.302 nan 8.280 nan 0.000 0.516 377 H N 4.609 123.744 119.070 0.109 0.000 3.096 377 H HA 0.166 4.722 4.556 -0.001 0.000 0.335 377 H C 0.532 175.710 175.328 -0.250 0.000 0.990 377 H CA -0.569 55.461 56.048 -0.030 0.000 1.393 377 H CB 0.739 30.558 29.762 0.096 0.000 1.742 377 H HN 0.692 nan 8.280 nan 0.000 0.501 378 R N 1.262 121.236 120.500 -0.877 0.000 2.103 378 R HA -0.126 4.213 4.340 -0.001 0.000 0.234 378 R C 1.521 177.593 176.300 -0.381 0.000 1.132 378 R CA 2.560 58.006 56.100 -1.089 0.000 0.925 378 R CB -0.200 29.357 30.300 -1.238 0.000 0.842 378 R HN 0.473 nan 8.270 nan 0.000 0.430 379 T N 0.625 115.123 114.554 -0.092 0.000 2.867 379 T HA -0.079 4.270 4.350 -0.001 0.000 0.268 379 T C 1.862 176.769 174.700 0.345 0.000 1.057 379 T CA 1.187 63.408 62.100 0.203 0.000 1.136 379 T CB -0.169 68.907 68.868 0.347 0.000 0.874 379 T HN 0.399 nan 8.240 nan 0.000 0.466 380 A N 1.022 124.130 122.820 0.480 0.000 1.898 380 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 380 A C 2.090 179.672 177.584 -0.004 0.000 1.181 380 A CA 1.531 53.633 52.037 0.108 0.000 0.620 380 A CB -0.888 18.155 19.000 0.072 0.000 0.819 380 A HN 0.701 nan 8.150 nan 0.000 0.442 381 H N -0.658 118.403 119.070 -0.016 0.000 2.293 381 H HA 0.007 4.562 4.556 -0.001 0.000 0.300 381 H C 1.478 176.723 175.328 -0.139 0.000 1.082 381 H CA 1.304 57.327 56.048 -0.041 0.000 1.308 381 H CB -0.228 29.611 29.762 0.128 0.000 1.375 381 H HN 0.629 nan 8.280 nan 0.000 0.495 382 G N 1.003 109.671 108.800 -0.219 0.000 2.204 382 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.244 382 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.244 382 G C 0.109 174.859 174.900 -0.249 0.000 1.062 382 G CA 0.744 45.689 45.100 -0.258 0.000 0.798 382 G HN 0.622 nan 8.290 nan 0.000 0.496 383 S N -0.840 114.650 115.700 -0.352 0.000 2.572 383 S HA 0.407 4.876 4.470 -0.001 0.000 0.279 383 S C 1.169 175.717 174.600 -0.086 0.000 1.341 383 S CA 0.898 58.904 58.200 -0.324 0.000 1.043 383 S CB 0.212 63.402 63.200 -0.017 0.000 0.887 383 S HN 1.248 nan 8.310 nan 0.000 0.516 384 W N 2.186 123.385 121.300 -0.169 0.000 2.870 384 W HA 0.314 4.973 4.660 -0.002 0.000 0.358 384 W C 0.928 177.328 176.519 -0.198 0.000 1.043 384 W CA 0.189 57.433 57.345 -0.168 0.000 1.692 384 W CB -0.704 28.620 29.460 -0.227 0.000 1.100 384 W HN 0.645 nan 8.180 nan 0.000 0.557 385 T N -2.733 111.573 114.554 -0.413 0.000 3.228 385 T HA 0.135 4.484 4.350 -0.001 0.000 0.278 385 T C 0.313 174.958 174.700 -0.092 0.000 1.014 385 T CA 0.284 62.240 62.100 -0.240 0.000 0.904 385 T CB -0.453 68.197 68.868 -0.363 0.000 1.110 385 T HN 0.057 nan 8.240 nan 0.000 0.541 386 D N 0.911 121.271 120.400 -0.067 0.000 2.697 386 D HA -0.175 4.464 4.640 -0.001 0.000 0.238 386 D C -0.516 175.769 176.300 -0.025 0.000 1.152 386 D CA 0.981 54.956 54.000 -0.043 0.000 0.666 386 D CB -1.413 39.438 40.800 0.086 0.000 1.037 386 D HN 0.628 nan 8.370 nan 0.000 0.423 387 S N 0.102 115.776 115.700 -0.044 0.000 2.575 387 S HA 0.490 4.959 4.470 -0.001 0.000 0.278 387 S C 0.693 175.139 174.600 -0.257 0.000 1.139 387 S CA -0.706 57.404 58.200 -0.149 0.000 0.954 387 S CB 1.299 64.399 63.200 -0.166 0.000 1.054 387 S HN 0.262 nan 8.310 nan 0.000 0.483 388 I N 4.347 124.527 120.570 -0.649 0.000 2.928 388 I HA 0.132 4.301 4.170 -0.001 0.000 0.266 388 I C 1.897 177.667 176.117 -0.578 0.000 1.234 388 I CA 1.196 61.831 61.300 -1.109 0.000 1.483 388 I CB -0.148 37.010 38.000 -1.404 0.000 1.097 388 I HN 0.794 nan 8.210 nan 0.000 0.455 389 A N -0.599 122.019 122.820 -0.337 0.000 2.030 389 A HA 0.170 4.490 4.320 -0.001 0.000 0.215 389 A C 1.072 178.585 177.584 -0.118 0.000 1.164 389 A CA 0.428 52.333 52.037 -0.219 0.000 0.697 389 A CB -0.085 18.807 19.000 -0.181 0.000 0.827 389 A HN 0.376 nan 8.150 nan 0.000 0.457 390 S N 1.286 116.927 115.700 -0.098 0.000 2.502 390 S HA 0.548 5.017 4.470 -0.001 0.000 0.304 390 S C -2.852 171.600 174.600 -0.246 0.000 1.097 390 S CA -1.205 56.897 58.200 -0.164 0.000 1.045 390 S CB 2.154 65.175 63.200 -0.297 0.000 1.019 390 S HN 0.257 nan 8.310 nan 0.000 0.481 391 P HA 0.254 nan 4.420 nan 0.000 0.274 391 P C 0.535 177.887 177.300 0.088 0.000 1.256 391 P CA -0.376 62.654 63.100 -0.117 0.000 0.795 391 P CB 0.675 32.322 31.700 -0.088 0.000 1.038 392 A N 1.060 123.897 122.820 0.027 0.000 1.865 392 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 392 A C 0.994 178.605 177.584 0.044 0.000 1.191 392 A CA 1.597 53.645 52.037 0.018 0.000 0.623 392 A CB -0.769 18.229 19.000 -0.002 0.000 0.826 392 A HN 0.564 nan 8.150 nan 0.000 0.444 393 E N 0.823 121.058 120.200 0.058 0.000 2.204 393 E HA 0.286 4.636 4.350 -0.001 0.000 0.276 393 E C -1.112 175.551 176.600 0.105 0.000 0.974 393 E CA -0.938 55.497 56.400 0.058 0.000 0.815 393 E CB 0.489 30.205 29.700 0.028 0.000 1.119 393 E HN 0.279 nan 8.360 nan 0.000 0.393 394 N N 1.318 120.088 118.700 0.116 0.000 2.412 394 N HA -0.033 4.706 4.740 -0.001 0.000 0.258 394 N C 0.879 176.339 175.510 -0.083 0.000 1.236 394 N CA 0.283 53.398 53.050 0.109 0.000 0.882 394 N CB 0.415 38.935 38.487 0.055 0.000 1.066 394 N HN 0.256 nan 8.380 nan 0.000 0.465 395 R N 1.172 121.513 120.500 -0.264 0.000 2.316 395 R HA 0.022 4.361 4.340 -0.001 0.000 0.202 395 R C -0.122 175.811 176.300 -0.611 0.000 1.029 395 R CA 0.738 56.595 56.100 -0.405 0.000 1.018 395 R CB -0.077 29.882 30.300 -0.567 0.000 0.888 395 R HN 0.562 nan 8.270 nan 0.000 0.471 396 H N -1.266 117.569 119.070 -0.392 0.000 2.865 396 H HA 0.293 4.848 4.556 -0.001 0.000 0.372 396 H C -0.868 174.170 175.328 -0.483 0.000 1.173 396 H CA -1.087 54.550 56.048 -0.685 0.000 1.147 396 H CB 1.908 30.671 29.762 -1.665 0.000 1.805 396 H HN -0.279 nan 8.280 nan 0.000 0.553 397 V N 2.961 122.710 119.914 -0.274 0.000 2.318 397 V HA 0.038 4.158 4.120 -0.001 0.000 0.271 397 V C 0.327 176.320 176.094 -0.169 0.000 1.030 397 V CA -0.608 61.502 62.300 -0.316 0.000 0.844 397 V CB 1.125 32.588 31.823 -0.600 0.000 1.015 397 V HN 0.382 nan 8.190 nan 0.000 0.460 398 L N 7.564 128.766 121.223 -0.035 0.000 2.437 398 L HA 0.356 4.695 4.340 -0.001 0.000 0.243 398 L C -0.111 176.935 176.870 0.293 0.000 1.346 398 L CA -0.111 54.877 54.840 0.246 0.000 1.233 398 L CB -1.231 40.888 42.059 0.099 0.000 1.436 398 L HN 0.500 nan 8.230 nan 0.000 0.416 399 Y N 1.960 122.549 120.300 0.482 0.000 2.895 399 Y HA 0.248 4.797 4.550 -0.001 0.000 0.334 399 Y C 1.761 177.921 175.900 0.433 0.000 1.261 399 Y CA 1.291 59.628 58.100 0.396 0.000 1.560 399 Y CB 0.083 38.709 38.460 0.276 0.000 1.253 399 Y HN 0.684 nan 8.280 nan 0.000 0.582 400 G N 1.104 110.155 108.800 0.418 0.000 2.253 400 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.251 400 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.251 400 G C 0.339 175.216 174.900 -0.038 0.000 0.998 400 G CA -0.172 45.080 45.100 0.254 0.000 0.621 400 G HN 1.145 nan 8.290 nan 0.000 0.524 401 A N 0.361 123.061 122.820 -0.201 0.000 2.451 401 A HA 0.634 4.954 4.320 -0.001 0.000 0.266 401 A C 0.268 177.634 177.584 -0.364 0.000 1.119 401 A CA 0.381 52.023 52.037 -0.659 0.000 0.786 401 A CB 0.571 19.243 19.000 -0.546 0.000 1.061 401 A HN 1.568 nan 8.150 nan 0.000 0.503 402 L N 5.601 126.567 121.223 -0.429 0.000 2.278 402 L HA 0.490 4.829 4.340 -0.001 0.000 0.287 402 L C 0.345 177.141 176.870 -0.124 0.000 1.072 402 L CA -0.205 54.426 54.840 -0.347 0.000 0.819 402 L CB 0.805 42.488 42.059 -0.628 0.000 1.176 402 L HN 0.691 nan 8.230 nan 0.000 0.435 403 V N 3.159 123.039 119.914 -0.057 0.000 3.264 403 V HA 0.515 4.634 4.120 -0.001 0.000 0.304 403 V C 1.389 177.468 176.094 -0.026 0.000 1.086 403 V CA 0.380 62.724 62.300 0.072 0.000 1.090 403 V CB 0.401 32.304 31.823 0.134 0.000 1.112 403 V HN 0.827 nan 8.190 nan 0.000 0.472 404 G N 0.287 109.133 108.800 0.076 0.000 2.418 404 G HA2 0.363 4.322 3.960 -0.001 0.000 0.217 404 G HA3 0.363 4.322 3.960 -0.001 0.000 0.217 404 G C 1.076 175.844 174.900 -0.221 0.000 1.158 404 G CA 0.948 45.991 45.100 -0.095 0.000 0.771 404 G HN 2.165 nan 8.290 nan 0.000 0.545 405 G N -0.588 108.097 108.800 -0.191 0.000 2.681 405 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.220 405 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.220 405 G C -2.774 172.019 174.900 -0.177 0.000 1.353 405 G CA -0.409 44.406 45.100 -0.474 0.000 0.872 405 G HN 0.393 nan 8.290 nan 0.000 0.557 406 P HA 0.282 nan 4.420 nan 0.000 0.262 406 P C 0.994 178.251 177.300 -0.073 0.000 1.199 406 P CA 1.074 64.144 63.100 -0.050 0.000 0.763 406 P CB 0.534 32.209 31.700 -0.042 0.000 0.790 407 G N 2.047 110.827 108.800 -0.033 0.000 2.777 407 G HA2 0.023 3.982 3.960 -0.001 0.000 0.211 407 G HA3 0.023 3.982 3.960 -0.001 0.000 0.211 407 G C 0.202 175.083 174.900 -0.031 0.000 1.149 407 G CA 0.173 45.256 45.100 -0.029 0.000 0.785 407 G HN 0.470 nan 8.290 nan 0.000 0.536 408 S N 0.433 116.113 115.700 -0.032 0.000 2.568 408 S HA 0.491 4.960 4.470 -0.001 0.000 0.293 408 S C -2.678 171.901 174.600 -0.035 0.000 1.089 408 S CA -0.982 57.199 58.200 -0.031 0.000 0.945 408 S CB 2.687 65.876 63.200 -0.017 0.000 1.077 408 S HN -0.004 nan 8.310 nan 0.000 0.485 409 P HA 0.160 nan 4.420 nan 0.000 0.231 409 P C -0.497 176.806 177.300 0.005 0.000 1.756 409 P CA 0.086 63.166 63.100 -0.034 0.000 0.990 409 P CB -0.805 30.871 31.700 -0.039 0.000 1.973 410 N N -0.238 118.476 118.700 0.022 0.000 2.142 410 N HA -0.032 4.707 4.740 -0.001 0.000 0.233 410 N C -0.007 175.551 175.510 0.080 0.000 1.335 410 N CA -0.334 52.743 53.050 0.046 0.000 0.837 410 N CB -0.615 37.892 38.487 0.032 0.000 1.238 410 N HN -0.084 nan 8.380 nan 0.000 0.501 411 D N -0.519 119.945 120.400 0.106 0.000 2.955 411 D HA -0.199 4.440 4.640 -0.001 0.000 0.226 411 D C -0.234 176.176 176.300 0.183 0.000 1.178 411 D CA 1.209 55.322 54.000 0.188 0.000 0.808 411 D CB -1.329 39.604 40.800 0.223 0.000 1.099 411 D HN 0.653 nan 8.370 nan 0.000 0.421 412 A N 0.119 123.021 122.820 0.137 0.000 2.316 412 A HA 0.638 4.957 4.320 -0.001 0.000 0.284 412 A C -0.473 177.247 177.584 0.226 0.000 1.115 412 A CA -0.317 51.807 52.037 0.144 0.000 0.812 412 A CB 1.255 20.300 19.000 0.075 0.000 1.064 412 A HN 0.341 nan 8.150 nan 0.000 0.489 413 Y N -0.241 120.098 120.300 0.066 0.000 2.573 413 Y HA 0.497 5.047 4.550 -0.001 0.000 0.328 413 Y C -1.081 174.851 175.900 0.053 0.000 1.170 413 Y CA -0.280 57.863 58.100 0.072 0.000 1.078 413 Y CB 1.296 39.868 38.460 0.185 0.000 1.341 413 Y HN 0.650 nan 8.280 nan 0.000 0.459 414 T N 4.362 118.429 114.554 -0.812 0.000 3.011 414 T HA 0.135 4.484 4.350 -0.001 0.000 0.303 414 T C -1.465 172.684 174.700 -0.917 0.000 0.997 414 T CA -0.637 61.080 62.100 -0.639 0.000 1.007 414 T CB 0.992 69.670 68.868 -0.316 0.000 1.017 414 T HN 0.604 nan 8.240 nan 0.000 0.443 415 D N 2.999 123.018 120.400 -0.634 0.000 2.598 415 D HA 0.053 4.692 4.640 -0.001 0.000 0.231 415 D C -0.363 175.823 176.300 -0.189 0.000 1.127 415 D CA -0.027 53.794 54.000 -0.298 0.000 1.126 415 D CB -0.119 40.676 40.800 -0.009 0.000 1.124 415 D HN 0.373 nan 8.370 nan 0.000 0.485 416 D N 0.648 120.913 120.400 -0.225 0.000 2.349 416 D HA 0.166 4.806 4.640 -0.001 0.000 0.232 416 D C 1.156 177.400 176.300 -0.093 0.000 1.071 416 D CA -0.630 53.276 54.000 -0.156 0.000 0.832 416 D CB 0.899 41.589 40.800 -0.184 0.000 1.086 416 D HN 0.132 nan 8.370 nan 0.000 0.504 417 R N 2.560 123.013 120.500 -0.079 0.000 2.152 417 R HA -0.122 4.217 4.340 -0.001 0.000 0.232 417 R C 1.139 177.455 176.300 0.026 0.000 1.117 417 R CA 1.428 57.508 56.100 -0.033 0.000 0.981 417 R CB 0.188 30.397 30.300 -0.152 0.000 0.870 417 R HN 0.592 nan 8.270 nan 0.000 0.451 418 Q N -0.182 119.570 119.800 -0.081 0.000 2.482 418 Q HA -0.049 4.291 4.340 -0.001 0.000 0.209 418 Q C -0.390 175.552 176.000 -0.098 0.000 0.961 418 Q CA 0.152 55.914 55.803 -0.069 0.000 0.945 418 Q CB 0.326 28.966 28.738 -0.163 0.000 1.012 418 Q HN 0.156 nan 8.270 nan 0.000 0.515 419 D N -0.005 120.317 120.400 -0.131 0.000 2.499 419 D HA 0.007 4.646 4.640 -0.001 0.000 0.225 419 D C 0.383 176.490 176.300 -0.322 0.000 1.124 419 D CA -0.632 53.186 54.000 -0.303 0.000 0.938 419 D CB 0.182 40.831 40.800 -0.252 0.000 1.014 419 D HN 0.203 nan 8.370 nan 0.000 0.517 420 Y N 1.181 121.227 120.300 -0.423 0.000 2.571 420 Y HA 0.033 4.582 4.550 -0.001 0.000 0.294 420 Y C 1.466 177.062 175.900 -0.506 0.000 1.141 420 Y CA 0.035 57.801 58.100 -0.557 0.000 1.308 420 Y CB -0.566 37.369 38.460 -0.874 0.000 1.002 420 Y HN 0.096 nan 8.280 nan 0.000 0.551 421 V N 0.322 119.738 119.914 -0.829 0.000 2.591 421 V HA -0.031 4.089 4.120 -0.001 0.000 0.249 421 V C 2.274 178.117 176.094 -0.419 0.000 1.053 421 V CA 1.597 63.296 62.300 -1.001 0.000 1.068 421 V CB -0.472 30.789 31.823 -0.937 0.000 0.689 421 V HN 0.602 nan 8.190 nan 0.000 0.462 422 A N -0.987 121.695 122.820 -0.230 0.000 2.211 422 A HA 0.221 4.540 4.320 -0.001 0.000 0.208 422 A C 1.506 179.159 177.584 0.116 0.000 1.250 422 A CA 0.332 52.351 52.037 -0.031 0.000 0.935 422 A CB -0.010 18.975 19.000 -0.026 0.000 0.982 422 A HN 0.439 nan 8.150 nan 0.000 0.490 423 N N 0.373 119.125 118.700 0.086 0.000 2.275 423 N HA 0.166 4.905 4.740 -0.001 0.000 0.236 423 N C -0.161 175.493 175.510 0.241 0.000 1.154 423 N CA -0.032 53.135 53.050 0.194 0.000 0.866 423 N CB 0.293 38.860 38.487 0.133 0.000 1.093 423 N HN 0.635 nan 8.380 nan 0.000 0.515 424 E N -0.322 120.034 120.200 0.261 0.000 2.280 424 E HA 0.436 4.786 4.350 -0.001 0.000 0.264 424 E C -0.414 176.359 176.600 0.289 0.000 1.064 424 E CA -0.793 55.790 56.400 0.305 0.000 0.900 424 E CB 1.159 31.030 29.700 0.284 0.000 1.123 424 E HN -0.018 nan 8.360 nan 0.000 0.418 425 V N -1.130 118.884 119.914 0.167 0.000 3.113 425 V HA 1.022 5.142 4.120 -0.001 0.000 0.316 425 V C -0.638 175.348 176.094 -0.180 0.000 1.125 425 V CA -0.385 61.933 62.300 0.030 0.000 1.026 425 V CB 1.159 33.032 31.823 0.084 0.000 1.080 425 V HN 0.869 nan 8.190 nan 0.000 0.444 426 A N 0.633 123.315 122.820 -0.231 0.000 2.597 426 A HA 0.665 4.984 4.320 -0.001 0.000 0.292 426 A C 0.563 178.260 177.584 0.188 0.000 1.057 426 A CA 0.107 52.081 52.037 -0.105 0.000 0.674 426 A CB 0.817 19.498 19.000 -0.531 0.000 1.278 426 A HN 1.896 nan 8.150 nan 0.000 0.416 427 T N -1.253 113.421 114.554 0.200 0.000 2.720 427 T HA -0.188 4.162 4.350 -0.001 0.000 0.268 427 T C 1.186 176.121 174.700 0.392 0.000 1.037 427 T CA 2.201 64.435 62.100 0.222 0.000 1.144 427 T CB -0.552 68.412 68.868 0.160 0.000 0.864 427 T HN 0.823 nan 8.240 nan 0.000 0.444 428 D N -0.215 120.413 120.400 0.379 0.000 2.269 428 D HA -0.154 4.485 4.640 -0.001 0.000 0.208 428 D C 1.652 178.273 176.300 0.534 0.000 0.963 428 D CA 0.596 54.899 54.000 0.505 0.000 0.864 428 D CB -0.496 40.642 40.800 0.563 0.000 0.936 428 D HN 0.360 nan 8.370 nan 0.000 0.505 429 Y N 1.301 121.733 120.300 0.219 0.000 2.274 429 Y HA -0.056 4.493 4.550 -0.001 0.000 0.290 429 Y C 1.734 177.685 175.900 0.084 0.000 1.145 429 Y CA 0.866 59.022 58.100 0.093 0.000 1.203 429 Y CB -0.689 37.768 38.460 -0.005 0.000 0.984 429 Y HN 0.035 nan 8.280 nan 0.000 0.533 430 N N -0.962 117.935 118.700 0.328 0.000 2.299 430 N HA 0.132 4.871 4.740 -0.001 0.000 0.187 430 N C 1.725 177.518 175.510 0.471 0.000 1.099 430 N CA 0.608 53.872 53.050 0.357 0.000 0.867 430 N CB -0.012 38.609 38.487 0.223 0.000 0.974 430 N HN 0.210 nan 8.380 nan 0.000 0.477 431 A N 0.355 123.435 122.820 0.434 0.000 1.835 431 A HA 0.012 4.331 4.320 -0.001 0.000 0.215 431 A C 2.269 179.933 177.584 0.134 0.000 1.199 431 A CA 1.857 54.067 52.037 0.288 0.000 0.615 431 A CB -1.303 17.856 19.000 0.265 0.000 0.838 431 A HN 0.310 nan 8.150 nan 0.000 0.444 432 G N -1.686 107.226 108.800 0.186 0.000 2.408 432 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.217 432 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.217 432 G C 1.451 176.390 174.900 0.066 0.000 1.150 432 G CA 1.111 46.270 45.100 0.097 0.000 0.776 432 G HN 0.430 nan 8.290 nan 0.000 0.542 433 F N 2.434 122.385 119.950 0.002 0.000 2.095 433 F HA -0.097 4.429 4.527 -0.001 0.000 0.298 433 F C 2.835 178.598 175.800 -0.061 0.000 1.104 433 F CA 1.771 59.754 58.000 -0.029 0.000 1.232 433 F CB -0.331 38.662 39.000 -0.011 0.000 0.987 433 F HN 0.154 nan 8.300 nan 0.000 0.475 434 S N -0.463 115.219 115.700 -0.030 0.000 2.368 434 S HA -0.164 4.305 4.470 -0.001 0.000 0.224 434 S C 2.188 176.641 174.600 -0.246 0.000 1.029 434 S CA 1.325 59.446 58.200 -0.132 0.000 0.988 434 S CB -0.522 62.758 63.200 0.134 0.000 0.838 434 S HN 0.409 nan 8.310 nan 0.000 0.462 435 S N 1.834 117.330 115.700 -0.341 0.000 2.368 435 S HA -0.027 4.442 4.470 -0.001 0.000 0.225 435 S C 2.285 176.644 174.600 -0.402 0.000 1.030 435 S CA 0.962 58.804 58.200 -0.597 0.000 0.999 435 S CB -0.507 61.719 63.200 -1.623 0.000 0.844 435 S HN 0.609 nan 8.310 nan 0.000 0.459 436 A N 1.580 124.231 122.820 -0.282 0.000 1.902 436 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 436 A C 2.113 179.535 177.584 -0.270 0.000 1.181 436 A CA 1.106 53.079 52.037 -0.107 0.000 0.623 436 A CB -0.762 18.188 19.000 -0.083 0.000 0.818 436 A HN 0.444 nan 8.150 nan 0.000 0.443 437 L N -0.793 120.175 121.223 -0.426 0.000 2.042 437 L HA -0.240 4.099 4.340 -0.001 0.000 0.210 437 L C 3.110 179.769 176.870 -0.353 0.000 1.076 437 L CA 1.175 55.742 54.840 -0.455 0.000 0.749 437 L CB -0.601 41.128 42.059 -0.550 0.000 0.893 437 L HN 0.462 nan 8.230 nan 0.000 0.432 438 A N -0.385 122.207 122.820 -0.379 0.000 1.933 438 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 438 A C 2.322 179.791 177.584 -0.191 0.000 1.175 438 A CA 1.509 53.307 52.037 -0.398 0.000 0.628 438 A CB -0.336 18.340 19.000 -0.540 0.000 0.814 438 A HN 0.293 nan 8.150 nan 0.000 0.444 439 M N -0.542 118.986 119.600 -0.120 0.000 2.132 439 M HA -0.046 4.433 4.480 -0.001 0.000 0.263 439 M C 2.106 178.349 176.300 -0.095 0.000 1.065 439 M CA 1.257 56.529 55.300 -0.047 0.000 1.122 439 M CB -1.126 31.484 32.600 0.016 0.000 1.365 439 M HN 0.392 nan 8.290 nan 0.000 0.411 440 L N -0.681 120.437 121.223 -0.175 0.000 2.217 440 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 440 L C 2.475 179.322 176.870 -0.039 0.000 1.107 440 L CA 0.395 55.115 54.840 -0.200 0.000 0.783 440 L CB -0.597 41.076 42.059 -0.643 0.000 0.919 440 L HN 0.067 nan 8.230 nan 0.000 0.442 441 V N 0.002 119.891 119.914 -0.042 0.000 2.358 441 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 441 V C 2.485 178.597 176.094 0.029 0.000 1.047 441 V CA 1.912 64.244 62.300 0.053 0.000 1.035 441 V CB -0.394 31.410 31.823 -0.031 0.000 0.658 441 V HN 0.503 nan 8.190 nan 0.000 0.452 442 E N -0.069 120.117 120.200 -0.023 0.000 2.118 442 E HA -0.291 4.058 4.350 -0.001 0.000 0.195 442 E C 2.228 178.801 176.600 -0.045 0.000 0.992 442 E CA 1.830 58.218 56.400 -0.020 0.000 0.804 442 E CB 0.031 29.721 29.700 -0.016 0.000 0.741 442 E HN 0.747 nan 8.360 nan 0.000 0.458 443 E N -1.132 119.002 120.200 -0.111 0.000 2.057 443 E HA -0.108 4.242 4.350 -0.001 0.000 0.190 443 E C 1.304 177.737 176.600 -0.278 0.000 0.969 443 E CA 0.568 56.808 56.400 -0.268 0.000 0.812 443 E CB 0.046 29.458 29.700 -0.481 0.000 0.777 443 E HN 0.309 nan 8.360 nan 0.000 0.455 444 Y N -0.035 120.338 120.300 0.122 0.000 2.462 444 Y HA 0.308 4.857 4.550 -0.001 0.000 0.261 444 Y C 1.108 177.100 175.900 0.153 0.000 1.146 444 Y CA 0.424 58.628 58.100 0.173 0.000 1.283 444 Y CB 0.818 39.467 38.460 0.315 0.000 1.090 444 Y HN 0.266 nan 8.280 nan 0.000 0.526 445 G N -0.070 108.871 108.800 0.235 0.000 2.642 445 G HA2 0.268 4.227 3.960 -0.001 0.000 0.231 445 G HA3 0.268 4.227 3.960 -0.001 0.000 0.231 445 G C 0.028 175.028 174.900 0.167 0.000 1.338 445 G CA -0.190 45.005 45.100 0.157 0.000 0.883 445 G HN 1.126 nan 8.290 nan 0.000 0.570 446 G N -3.219 105.637 108.800 0.094 0.000 2.326 446 G HA2 0.642 4.602 3.960 -0.001 0.000 0.413 446 G HA3 0.642 4.602 3.960 -0.001 0.000 0.413 446 G C -0.459 174.465 174.900 0.041 0.000 1.444 446 G CA 0.580 45.716 45.100 0.059 0.000 1.002 446 G HN 2.814 nan 8.290 nan 0.000 0.649 447 T N -0.126 114.443 114.554 0.026 0.000 2.928 447 T HA 0.806 5.155 4.350 -0.001 0.000 0.296 447 T C -2.692 172.015 174.700 0.012 0.000 1.000 447 T CA -1.412 60.701 62.100 0.022 0.000 0.989 447 T CB 2.951 71.830 68.868 0.018 0.000 1.005 447 T HN 0.623 nan 8.240 nan 0.000 0.442 448 P HA 0.305 nan 4.420 nan 0.000 0.274 448 P C -0.442 176.852 177.300 -0.008 0.000 1.237 448 P CA -0.687 62.407 63.100 -0.011 0.000 0.793 448 P CB 0.955 32.665 31.700 0.018 0.000 0.977 449 L N 1.384 122.580 121.223 -0.045 0.000 2.360 449 L HA 0.169 4.508 4.340 -0.001 0.000 0.276 449 L C 1.935 178.835 176.870 0.050 0.000 1.121 449 L CA -0.414 54.420 54.840 -0.009 0.000 0.845 449 L CB 0.528 42.562 42.059 -0.040 0.000 1.143 449 L HN 0.449 nan 8.230 nan 0.000 0.452 450 A N 3.242 126.093 122.820 0.052 0.000 1.865 450 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 450 A C 0.911 178.546 177.584 0.085 0.000 1.191 450 A CA 1.550 53.627 52.037 0.066 0.000 0.623 450 A CB -0.342 18.687 19.000 0.048 0.000 0.826 450 A HN 0.836 nan 8.150 nan 0.000 0.444 451 D N -1.511 118.935 120.400 0.077 0.000 2.479 451 D HA 0.430 5.070 4.640 -0.001 0.000 0.218 451 D C -0.946 175.420 176.300 0.110 0.000 1.131 451 D CA -0.238 53.805 54.000 0.071 0.000 0.916 451 D CB 0.380 41.204 40.800 0.041 0.000 1.022 451 D HN 0.164 nan 8.370 nan 0.000 0.515 452 F N 2.268 122.170 119.950 -0.080 0.000 2.615 452 F HA 0.477 5.003 4.527 -0.001 0.000 0.312 452 F C -2.803 172.910 175.800 -0.145 0.000 1.119 452 F CA -1.703 56.196 58.000 -0.168 0.000 0.979 452 F CB 1.852 40.734 39.000 -0.197 0.000 1.266 452 F HN -0.010 nan 8.300 nan 0.000 0.444 453 P HA 0.476 nan 4.420 nan 0.000 0.281 453 P C -2.737 174.245 177.300 -0.529 0.000 1.249 453 P CA -1.235 61.000 63.100 -1.441 0.000 0.810 453 P CB 0.322 31.257 31.700 -1.274 0.000 1.008 454 P HA 0.166 nan 4.420 nan 0.000 0.272 454 P C -0.701 176.600 177.300 0.001 0.000 1.223 454 P CA -0.140 62.908 63.100 -0.088 0.000 0.784 454 P CB 0.269 31.977 31.700 0.013 0.000 0.923 455 T N 1.883 116.466 114.554 0.048 0.000 2.747 455 T HA 0.180 4.530 4.350 -0.001 0.000 0.301 455 T C 0.054 174.843 174.700 0.149 0.000 0.952 455 T CA -0.579 61.586 62.100 0.108 0.000 0.983 455 T CB -0.023 68.887 68.868 0.071 0.000 0.930 455 T HN 0.327 nan 8.240 nan 0.000 0.494 456 E N 2.999 123.358 120.200 0.265 0.000 2.404 456 E HA 0.154 4.503 4.350 -0.001 0.000 0.261 456 E C 0.367 177.017 176.600 0.084 0.000 1.074 456 E CA -0.308 56.255 56.400 0.272 0.000 0.917 456 E CB 0.796 30.834 29.700 0.564 0.000 0.965 456 E HN 0.718 nan 8.360 nan 0.000 0.433 457 E N 1.644 121.776 120.200 -0.113 0.000 2.227 457 E HA 0.442 4.791 4.350 -0.001 0.000 0.268 457 E C -2.639 173.471 176.600 -0.817 0.000 0.907 457 E CA -2.597 53.592 56.400 -0.352 0.000 0.786 457 E CB 1.021 30.601 29.700 -0.201 0.000 1.191 457 E HN 0.075 nan 8.360 nan 0.000 0.411 458 P HA -0.048 nan 4.420 nan 0.000 0.266 458 P C -0.259 176.535 177.300 -0.842 0.000 1.193 458 P CA 0.063 62.159 63.100 -1.674 0.000 0.770 458 P CB 0.379 31.587 31.700 -0.820 0.000 0.836 459 D N 1.029 121.039 120.400 -0.651 0.000 2.346 459 D HA 0.214 4.853 4.640 -0.001 0.000 0.248 459 D C 0.825 177.034 176.300 -0.151 0.000 1.173 459 D CA -0.013 53.868 54.000 -0.198 0.000 0.878 459 D CB -0.460 40.365 40.800 0.042 0.000 0.919 459 D HN 0.490 nan 8.370 nan 0.000 0.513 460 G N -0.634 108.041 108.800 -0.208 0.000 2.350 460 G HA2 0.197 4.156 3.960 -0.001 0.000 0.282 460 G HA3 0.197 4.156 3.960 -0.001 0.000 0.282 460 G C -2.924 171.869 174.900 -0.179 0.000 1.314 460 G CA -1.126 43.863 45.100 -0.185 0.000 0.915 460 G HN 0.041 nan 8.290 nan 0.000 0.499 461 P HA 0.323 nan 4.420 nan 0.000 0.268 461 P C 0.374 177.670 177.300 -0.007 0.000 1.205 461 P CA 0.163 63.160 63.100 -0.172 0.000 0.771 461 P CB 1.130 32.468 31.700 -0.604 0.000 0.858 462 E N 1.434 121.711 120.200 0.129 0.000 2.079 462 E HA 0.121 4.470 4.350 -0.001 0.000 0.191 462 E C 0.268 176.958 176.600 0.150 0.000 0.961 462 E CA 0.542 57.034 56.400 0.154 0.000 0.823 462 E CB 0.162 29.974 29.700 0.188 0.000 0.789 462 E HN 0.386 nan 8.360 nan 0.000 0.459 463 I N 1.947 122.605 120.570 0.147 0.000 2.382 463 I HA 0.303 4.472 4.170 -0.001 0.000 0.286 463 I C -0.871 175.234 176.117 -0.020 0.000 1.002 463 I CA -0.791 60.511 61.300 0.004 0.000 1.135 463 I CB 0.824 38.853 38.000 0.048 0.000 1.288 463 I HN -0.001 nan 8.210 nan 0.000 0.448 464 F N 4.746 124.419 119.950 -0.461 0.000 2.923 464 F HA 0.838 5.365 4.527 -0.001 0.000 0.323 464 F C -1.507 173.837 175.800 -0.761 0.000 1.189 464 F CA -1.227 56.147 58.000 -1.044 0.000 0.930 464 F CB 0.966 38.914 39.000 -1.753 0.000 1.414 464 F HN -0.061 nan 8.300 nan 0.000 0.496 465 V N 0.831 120.298 119.914 -0.745 0.000 2.531 465 V HA 0.451 4.570 4.120 -0.001 0.000 0.301 465 V C -0.797 175.254 176.094 -0.071 0.000 1.034 465 V CA -0.688 61.415 62.300 -0.329 0.000 0.865 465 V CB 1.516 33.232 31.823 -0.177 0.000 0.995 465 V HN 0.775 nan 8.190 nan 0.000 0.424 466 E N 2.423 122.591 120.200 -0.052 0.000 2.212 466 E HA 0.876 5.225 4.350 -0.001 0.000 0.270 466 E C -0.431 176.205 176.600 0.060 0.000 0.956 466 E CA -0.637 55.805 56.400 0.069 0.000 0.825 466 E CB 2.475 32.224 29.700 0.082 0.000 1.167 466 E HN 0.871 nan 8.360 nan 0.000 0.400 467 A N 1.845 124.724 122.820 0.099 0.000 2.609 467 A HA 0.588 4.907 4.320 -0.001 0.000 0.291 467 A C -1.723 175.916 177.584 0.092 0.000 1.096 467 A CA -0.763 51.338 52.037 0.107 0.000 0.684 467 A CB 1.911 21.012 19.000 0.169 0.000 1.282 467 A HN 0.619 nan 8.150 nan 0.000 0.412 468 Q N 0.192 120.043 119.800 0.084 0.000 2.527 468 Q HA 0.622 4.962 4.340 -0.001 0.000 0.280 468 Q C -1.642 174.405 176.000 0.079 0.000 0.977 468 Q CA -0.814 55.031 55.803 0.071 0.000 0.837 468 Q CB 1.019 29.793 28.738 0.060 0.000 1.454 468 Q HN 0.620 nan 8.270 nan 0.000 0.387 469 I N 2.830 123.457 120.570 0.096 0.000 2.517 469 I HA 0.004 4.173 4.170 -0.001 0.000 0.285 469 I C 0.837 177.004 176.117 0.082 0.000 1.106 469 I CA -0.101 61.272 61.300 0.122 0.000 1.402 469 I CB 0.381 38.485 38.000 0.173 0.000 1.399 469 I HN 0.740 nan 8.210 nan 0.000 0.535 470 N N 4.023 122.760 118.700 0.062 0.000 2.148 470 N HA -0.033 4.706 4.740 -0.001 0.000 0.186 470 N C 0.043 175.599 175.510 0.076 0.000 1.031 470 N CA 1.150 54.234 53.050 0.057 0.000 0.848 470 N CB 0.430 38.938 38.487 0.035 0.000 1.005 470 N HN 0.593 nan 8.380 nan 0.000 0.427 471 T N 2.255 116.874 114.554 0.108 0.000 2.879 471 T HA 0.385 4.735 4.350 -0.001 0.000 0.290 471 T C -2.825 171.972 174.700 0.161 0.000 0.993 471 T CA -1.168 61.017 62.100 0.141 0.000 0.975 471 T CB 2.395 71.366 68.868 0.172 0.000 0.981 471 T HN 0.079 nan 8.240 nan 0.000 0.439 472 P HA 0.472 nan 4.420 nan 0.000 0.271 472 P C -0.270 176.963 177.300 -0.112 0.000 1.216 472 P CA -0.046 63.059 63.100 0.009 0.000 0.771 472 P CB 0.964 32.676 31.700 0.020 0.000 0.864 473 G N 0.379 108.917 108.800 -0.436 0.000 2.698 473 G HA2 0.473 4.432 3.960 -0.001 0.000 0.293 473 G HA3 0.473 4.432 3.960 -0.001 0.000 0.293 473 G C 0.236 174.723 174.900 -0.689 0.000 1.437 473 G CA -0.352 44.148 45.100 -1.000 0.000 0.852 473 G HN 0.447 nan 8.290 nan 0.000 0.499 474 T N -3.513 110.745 114.554 -0.493 0.000 2.971 474 T HA 0.109 4.458 4.350 -0.001 0.000 0.252 474 T C 1.606 176.256 174.700 -0.083 0.000 1.022 474 T CA 1.393 63.372 62.100 -0.201 0.000 0.980 474 T CB 0.238 69.053 68.868 -0.088 0.000 1.044 474 T HN 0.863 nan 8.240 nan 0.000 0.501 475 T N 0.100 114.561 114.554 -0.155 0.000 3.129 475 T HA 0.549 4.898 4.350 -0.001 0.000 0.267 475 T C -0.080 174.519 174.700 -0.168 0.000 1.018 475 T CA -0.744 61.358 62.100 0.003 0.000 0.903 475 T CB -0.752 68.161 68.868 0.074 0.000 1.067 475 T HN 0.581 nan 8.240 nan 0.000 0.549 476 F N -1.605 118.139 119.950 -0.343 0.000 2.741 476 F HA 0.706 5.232 4.527 -0.001 0.000 0.311 476 F C -1.623 173.998 175.800 -0.298 0.000 1.149 476 F CA -1.239 56.362 58.000 -0.665 0.000 0.930 476 F CB 1.015 39.754 39.000 -0.435 0.000 1.312 476 F HN -0.219 nan 8.300 nan 0.000 0.450 477 T N 1.189 115.709 114.554 -0.057 0.000 2.864 477 T HA 0.319 4.668 4.350 -0.001 0.000 0.299 477 T C -1.258 173.474 174.700 0.053 0.000 1.011 477 T CA -0.434 61.693 62.100 0.046 0.000 0.975 477 T CB 1.196 70.134 68.868 0.116 0.000 0.962 477 T HN 0.763 nan 8.240 nan 0.000 0.448 478 E N 4.188 124.476 120.200 0.146 0.000 2.146 478 E HA 0.421 4.770 4.350 -0.001 0.000 0.282 478 E C -0.587 175.933 176.600 -0.134 0.000 0.989 478 E CA -0.654 55.743 56.400 -0.006 0.000 0.799 478 E CB 0.521 30.290 29.700 0.114 0.000 1.088 478 E HN 0.343 nan 8.360 nan 0.000 0.397 479 I N 3.853 124.144 120.570 -0.465 0.000 2.648 479 I HA 0.293 4.462 4.170 -0.001 0.000 0.304 479 I C -0.195 175.736 176.117 -0.311 0.000 1.009 479 I CA -0.703 60.327 61.300 -0.450 0.000 1.114 479 I CB 1.727 39.240 38.000 -0.812 0.000 1.293 479 I HN 0.545 nan 8.210 nan 0.000 0.449 480 K N 4.327 124.677 120.400 -0.084 0.000 2.521 480 K HA 0.703 5.022 4.320 -0.001 0.000 0.248 480 K C -1.099 175.546 176.600 0.074 0.000 0.978 480 K CA -0.365 55.937 56.287 0.025 0.000 0.947 480 K CB 1.166 33.696 32.500 0.050 0.000 1.165 480 K HN 0.744 nan 8.250 nan 0.000 0.445 481 A N 3.925 126.834 122.820 0.149 0.000 2.312 481 A HA 0.712 5.031 4.320 -0.001 0.000 0.328 481 A C -0.970 176.648 177.584 0.056 0.000 1.158 481 A CA -0.778 51.333 52.037 0.124 0.000 0.821 481 A CB 1.033 20.157 19.000 0.206 0.000 1.170 481 A HN 0.752 nan 8.150 nan 0.000 0.490 482 M N 3.012 122.595 119.600 -0.029 0.000 2.067 482 M HA 0.476 4.955 4.480 -0.001 0.000 0.286 482 M C -1.357 174.837 176.300 -0.176 0.000 0.922 482 M CA -0.218 55.041 55.300 -0.069 0.000 0.937 482 M CB 0.725 33.295 32.600 -0.050 0.000 1.550 482 M HN 0.576 nan 8.290 nan 0.000 0.433 483 I N 5.071 125.544 120.570 -0.162 0.000 2.529 483 I HA 0.342 4.511 4.170 -0.001 0.000 0.284 483 I C 0.217 176.137 176.117 -0.329 0.000 1.082 483 I CA -0.361 60.802 61.300 -0.227 0.000 1.406 483 I CB 0.376 38.330 38.000 -0.077 0.000 1.405 483 I HN 0.527 nan 8.210 nan 0.000 0.548 484 R N 4.304 124.484 120.500 -0.532 0.000 2.686 484 R HA 0.404 4.743 4.340 -0.001 0.000 0.286 484 R C -0.959 175.065 176.300 -0.460 0.000 0.969 484 R CA -0.933 54.814 56.100 -0.589 0.000 0.898 484 R CB 1.783 31.371 30.300 -1.186 0.000 1.183 484 R HN 0.485 nan 8.270 nan 0.000 0.456 485 N N 1.889 120.465 118.700 -0.206 0.000 2.648 485 N HA 0.124 4.864 4.740 -0.001 0.000 0.261 485 N C -0.876 174.582 175.510 -0.087 0.000 1.138 485 N CA -0.132 52.861 53.050 -0.094 0.000 0.804 485 N CB 1.075 39.579 38.487 0.028 0.000 1.237 485 N HN 0.514 nan 8.380 nan 0.000 0.532 486 Q N 0.525 120.185 119.800 -0.234 0.000 2.165 486 Q HA 0.174 4.513 4.340 -0.001 0.000 0.245 486 Q C 0.151 176.078 176.000 -0.121 0.000 0.841 486 Q CA -0.417 55.109 55.803 -0.461 0.000 1.078 486 Q CB 0.384 28.476 28.738 -1.076 0.000 1.169 486 Q HN 0.618 nan 8.270 nan 0.000 0.475 487 S N -0.641 115.088 115.700 0.048 0.000 2.566 487 S HA 0.293 4.762 4.470 -0.001 0.000 0.280 487 S C 0.982 175.691 174.600 0.182 0.000 1.343 487 S CA 0.418 58.722 58.200 0.174 0.000 1.036 487 S CB 1.153 64.460 63.200 0.177 0.000 0.866 487 S HN 0.422 nan 8.310 nan 0.000 0.526 488 G N 0.265 109.216 108.800 0.252 0.000 3.934 488 G HA2 0.191 4.150 3.960 -0.001 0.000 0.212 488 G HA3 0.191 4.150 3.960 -0.001 0.000 0.212 488 G C -0.274 174.500 174.900 -0.210 0.000 1.126 488 G CA -0.450 44.610 45.100 -0.066 0.000 0.877 488 G HN 0.705 nan 8.290 nan 0.000 0.556 489 W N 2.547 123.998 121.300 0.252 0.000 1.602 489 W HA 0.335 4.994 4.660 -0.001 0.000 0.294 489 W C -2.514 174.098 176.519 0.154 0.000 0.838 489 W CA -1.069 56.415 57.345 0.231 0.000 2.320 489 W CB 1.329 30.915 29.460 0.209 0.000 2.318 489 W HN 0.110 nan 8.180 nan 0.000 0.467 490 P HA 0.524 nan 4.420 nan 0.000 0.317 490 P C -0.307 177.086 177.300 0.156 0.000 1.301 490 P CA -0.463 62.723 63.100 0.144 0.000 0.799 490 P CB 1.405 33.153 31.700 0.080 0.000 1.344 491 A N 0.759 123.657 122.820 0.130 0.000 2.488 491 A HA 0.425 4.744 4.320 -0.001 0.000 0.249 491 A C 0.598 178.266 177.584 0.140 0.000 1.083 491 A CA -0.098 52.029 52.037 0.150 0.000 0.768 491 A CB -0.352 18.745 19.000 0.161 0.000 1.017 491 A HN 0.581 nan 8.150 nan 0.000 0.496 492 R N 1.792 122.385 120.500 0.154 0.000 2.740 492 R HA 0.698 5.037 4.340 -0.001 0.000 0.273 492 R C -0.798 175.593 176.300 0.152 0.000 0.998 492 R CA -1.019 55.159 56.100 0.130 0.000 0.900 492 R CB 1.097 31.466 30.300 0.116 0.000 1.223 492 R HN 0.586 nan 8.270 nan 0.000 0.466 493 M N 1.689 121.358 119.600 0.115 0.000 2.241 493 M HA 0.301 4.780 4.480 -0.001 0.000 0.335 493 M C -1.108 175.269 176.300 0.128 0.000 1.122 493 M CA -0.598 54.782 55.300 0.132 0.000 1.164 493 M CB 0.914 33.543 32.600 0.049 0.000 1.459 493 M HN 0.673 nan 8.290 nan 0.000 0.461 494 L N 4.752 126.063 121.223 0.146 0.000 2.481 494 L HA 0.433 4.772 4.340 -0.001 0.000 0.255 494 L C -0.793 176.144 176.870 0.112 0.000 1.192 494 L CA 0.104 55.015 54.840 0.118 0.000 0.924 494 L CB 0.387 42.511 42.059 0.109 0.000 1.179 494 L HN 0.878 nan 8.230 nan 0.000 0.491 495 D N 0.516 120.971 120.400 0.093 0.000 2.369 495 D HA 0.039 4.678 4.640 -0.001 0.000 0.211 495 D C 0.230 176.568 176.300 0.063 0.000 1.077 495 D CA 0.264 54.311 54.000 0.079 0.000 0.842 495 D CB 0.241 41.079 40.800 0.063 0.000 0.947 495 D HN 0.392 nan 8.370 nan 0.000 0.509 496 K N 0.602 121.042 120.400 0.068 0.000 3.202 496 K HA 0.415 4.734 4.320 -0.001 0.000 0.206 496 K C 0.157 176.804 176.600 0.078 0.000 1.142 496 K CA -0.460 55.863 56.287 0.060 0.000 0.979 496 K CB 1.569 34.101 32.500 0.053 0.000 0.863 496 K HN 0.087 nan 8.250 nan 0.000 0.479 497 G N 0.812 109.664 108.800 0.088 0.000 2.420 497 G HA2 0.438 4.397 3.960 -0.001 0.000 0.284 497 G HA3 0.438 4.397 3.960 -0.001 0.000 0.284 497 G C -0.194 174.765 174.900 0.098 0.000 1.177 497 G CA -0.153 45.021 45.100 0.123 0.000 0.841 497 G HN 0.170 nan 8.290 nan 0.000 0.527 498 T N -1.473 113.166 114.554 0.142 0.000 2.889 498 T HA 0.689 5.038 4.350 -0.001 0.000 0.315 498 T C -0.930 173.903 174.700 0.222 0.000 1.291 498 T CA -0.855 61.269 62.100 0.039 0.000 1.028 498 T CB 1.633 70.448 68.868 -0.088 0.000 1.235 498 T HN 1.230 nan 8.240 nan 0.000 0.491 499 F N -0.679 119.315 119.950 0.073 0.000 2.599 499 F HA 0.882 5.409 4.527 -0.001 0.000 0.311 499 F C -0.780 175.035 175.800 0.025 0.000 1.076 499 F CA -1.422 56.675 58.000 0.163 0.000 0.937 499 F CB 1.698 40.823 39.000 0.208 0.000 1.282 499 F HN 0.694 nan 8.300 nan 0.000 0.460 500 R N 1.617 122.284 120.500 0.278 0.000 2.589 500 R HA 0.419 4.758 4.340 -0.001 0.000 0.293 500 R C -2.104 174.244 176.300 0.080 0.000 0.963 500 R CA -1.049 54.935 56.100 -0.194 0.000 0.905 500 R CB 2.244 31.881 30.300 -1.106 0.000 1.144 500 R HN 0.854 nan 8.270 nan 0.000 0.459 501 Y N 3.065 123.391 120.300 0.042 0.000 2.447 501 Y HA 0.293 4.842 4.550 -0.001 0.000 0.325 501 Y C -1.025 175.147 175.900 0.452 0.000 0.976 501 Y CA -0.831 57.525 58.100 0.427 0.000 1.280 501 Y CB 0.878 39.692 38.460 0.589 0.000 1.104 501 Y HN 0.524 nan 8.280 nan 0.000 0.486 502 W N 8.187 129.757 121.300 0.450 0.000 2.316 502 W HA 0.370 5.030 4.660 -0.001 0.000 0.321 502 W C -0.785 176.011 176.519 0.462 0.000 1.203 502 W CA -0.305 57.303 57.345 0.437 0.000 1.214 502 W CB 1.206 30.854 29.460 0.313 0.000 1.169 502 W HN 0.572 nan 8.180 nan 0.000 0.561 503 F N -0.579 119.745 119.950 0.622 0.000 2.626 503 F HA 0.635 5.161 4.527 -0.001 0.000 0.311 503 F C -0.747 175.275 175.800 0.370 0.000 1.088 503 F CA -1.277 56.997 58.000 0.456 0.000 0.949 503 F CB 0.868 40.184 39.000 0.526 0.000 1.322 503 F HN -0.108 nan 8.300 nan 0.000 0.461 504 T N 3.474 118.241 114.554 0.355 0.000 2.795 504 T HA 0.452 4.801 4.350 -0.001 0.000 0.282 504 T C -0.581 174.266 174.700 0.245 0.000 0.980 504 T CA -0.402 61.830 62.100 0.220 0.000 1.012 504 T CB 1.275 70.232 68.868 0.148 0.000 0.936 504 T HN 0.737 nan 8.240 nan 0.000 0.457 505 L N 4.290 125.665 121.223 0.253 0.000 2.499 505 L HA 0.171 4.510 4.340 -0.001 0.000 0.273 505 L C 0.210 177.146 176.870 0.110 0.000 1.195 505 L CA 0.620 55.588 54.840 0.213 0.000 0.882 505 L CB 0.235 42.422 42.059 0.214 0.000 1.133 505 L HN 0.587 nan 8.230 nan 0.000 0.483 506 D N 2.754 123.191 120.400 0.062 0.000 2.326 506 D HA 0.121 4.760 4.640 -0.001 0.000 0.251 506 D C -0.599 175.727 176.300 0.044 0.000 1.023 506 D CA -0.529 53.481 54.000 0.017 0.000 0.966 506 D CB 1.350 42.118 40.800 -0.054 0.000 1.156 506 D HN 0.417 nan 8.370 nan 0.000 0.494 507 E N -0.350 119.868 120.200 0.030 0.000 2.328 507 E HA 0.311 4.660 4.350 -0.001 0.000 0.265 507 E C 0.793 177.416 176.600 0.039 0.000 1.057 507 E CA 0.563 56.983 56.400 0.034 0.000 0.916 507 E CB -0.082 29.633 29.700 0.025 0.000 0.993 507 E HN 0.670 nan 8.360 nan 0.000 0.446 508 G N 2.810 111.636 108.800 0.043 0.000 2.195 508 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.224 508 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.224 508 G C -0.165 174.770 174.900 0.059 0.000 0.990 508 G CA -0.018 45.108 45.100 0.045 0.000 0.639 508 G HN 0.520 nan 8.290 nan 0.000 0.514 509 V N 1.906 121.864 119.914 0.075 0.000 2.333 509 V HA 0.493 4.612 4.120 -0.001 0.000 0.274 509 V C -0.132 176.001 176.094 0.064 0.000 1.028 509 V CA -0.533 61.827 62.300 0.100 0.000 0.851 509 V CB 1.533 33.465 31.823 0.182 0.000 1.000 509 V HN 0.346 nan 8.190 nan 0.000 0.456 510 D N 8.247 128.672 120.400 0.040 0.000 2.316 510 D HA 0.263 4.902 4.640 -0.001 0.000 0.245 510 D C -0.927 175.367 176.300 -0.009 0.000 1.171 510 D CA -2.053 51.955 54.000 0.013 0.000 0.856 510 D CB 1.903 42.708 40.800 0.010 0.000 1.090 510 D HN 0.228 nan 8.370 nan 0.000 0.476 511 P HA -0.224 nan 4.420 nan 0.000 0.217 511 P C 1.023 178.290 177.300 -0.054 0.000 1.148 511 P CA 1.084 64.115 63.100 -0.114 0.000 0.828 511 P CB 0.141 31.712 31.700 -0.215 0.000 0.783 512 A N 0.410 123.212 122.820 -0.030 0.000 1.978 512 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 512 A C 1.751 179.317 177.584 -0.030 0.000 1.170 512 A CA 2.017 54.040 52.037 -0.023 0.000 0.636 512 A CB -1.110 17.882 19.000 -0.014 0.000 0.810 512 A HN 0.105 nan 8.150 nan 0.000 0.448 513 D N -0.594 119.789 120.400 -0.028 0.000 2.340 513 D HA 0.164 4.803 4.640 -0.001 0.000 0.220 513 D C 0.329 176.594 176.300 -0.059 0.000 1.039 513 D CA 0.093 54.071 54.000 -0.035 0.000 0.866 513 D CB -0.075 40.712 40.800 -0.022 0.000 0.913 513 D HN 0.464 nan 8.370 nan 0.000 0.523 514 I N 1.503 122.035 120.570 -0.062 0.000 2.496 514 I HA 0.069 4.238 4.170 -0.001 0.000 0.285 514 I C 0.709 176.759 176.117 -0.111 0.000 1.080 514 I CA 0.017 61.253 61.300 -0.107 0.000 1.404 514 I CB 0.800 38.756 38.000 -0.073 0.000 1.403 514 I HN -0.127 nan 8.210 nan 0.000 0.539 515 T N 2.923 117.383 114.554 -0.155 0.000 2.908 515 T HA 0.689 5.038 4.350 -0.001 0.000 0.290 515 T C -0.588 174.027 174.700 -0.141 0.000 1.034 515 T CA -0.780 61.244 62.100 -0.127 0.000 1.010 515 T CB 2.045 70.841 68.868 -0.121 0.000 1.068 515 T HN 0.197 nan 8.240 nan 0.000 0.481 516 V N 2.969 122.827 119.914 -0.092 0.000 2.380 516 V HA 0.647 4.766 4.120 -0.001 0.000 0.286 516 V C 0.198 176.263 176.094 -0.048 0.000 1.015 516 V CA -0.655 61.609 62.300 -0.061 0.000 0.834 516 V CB 0.678 32.483 31.823 -0.030 0.000 1.009 516 V HN 1.254 nan 8.190 nan 0.000 0.428 517 S N 3.154 118.823 115.700 -0.053 0.000 2.715 517 S HA 0.933 5.403 4.470 -0.001 0.000 0.307 517 S C -0.438 174.157 174.600 -0.009 0.000 1.119 517 S CA -0.722 57.450 58.200 -0.046 0.000 0.937 517 S CB 2.322 65.471 63.200 -0.085 0.000 1.150 517 S HN 0.791 nan 8.310 nan 0.000 0.521 518 S N -1.373 114.325 115.700 -0.004 0.000 2.547 518 S HA 0.667 5.136 4.470 -0.001 0.000 0.270 518 S C -0.089 174.529 174.600 0.029 0.000 1.150 518 S CA -0.117 58.100 58.200 0.028 0.000 0.850 518 S CB 1.173 64.407 63.200 0.057 0.000 1.118 518 S HN 1.492 nan 8.310 nan 0.000 0.461 519 A N 2.048 124.903 122.820 0.057 0.000 2.288 519 A HA 0.491 4.811 4.320 -0.001 0.000 0.216 519 A C -0.386 177.303 177.584 0.175 0.000 1.199 519 A CA 0.295 52.375 52.037 0.072 0.000 0.891 519 A CB 0.137 19.162 19.000 0.042 0.000 0.923 519 A HN 1.077 nan 8.150 nan 0.000 0.500 520 Y N -0.033 120.276 120.300 0.016 0.000 2.313 520 Y HA 0.544 5.094 4.550 -0.001 0.000 0.320 520 Y C -1.876 174.054 175.900 0.049 0.000 1.171 520 Y CA -1.998 56.118 58.100 0.027 0.000 1.093 520 Y CB 1.065 39.540 38.460 0.025 0.000 1.224 520 Y HN 0.100 nan 8.280 nan 0.000 0.421 521 N N 4.685 123.222 118.700 -0.271 0.000 2.542 521 N HA 0.222 4.961 4.740 -0.001 0.000 0.288 521 N C -0.423 174.916 175.510 -0.286 0.000 1.115 521 N CA -0.318 52.564 53.050 -0.281 0.000 0.924 521 N CB 1.721 40.162 38.487 -0.078 0.000 1.526 521 N HN 0.862 nan 8.380 nan 0.000 0.515 522 Q N 0.549 120.141 119.800 -0.346 0.000 2.472 522 Q HA 0.164 4.503 4.340 -0.001 0.000 0.208 522 Q C 0.103 176.052 176.000 -0.085 0.000 0.958 522 Q CA 0.585 56.278 55.803 -0.183 0.000 0.932 522 Q CB 0.268 28.908 28.738 -0.163 0.000 1.007 522 Q HN 0.581 nan 8.270 nan 0.000 0.508 523 c N -0.655 117.897 118.600 -0.080 0.000 2.857 523 c HA 0.759 5.328 4.570 -0.001 0.000 0.397 523 c C 0.548 174.598 174.090 -0.065 0.000 1.558 523 c CA -1.237 55.058 56.329 -0.056 0.000 1.694 523 c CB 0.891 43.371 42.510 -0.050 0.000 2.120 523 c HN 0.421 nan 8.230 nan 0.000 0.475 524 A N 0.424 123.201 122.820 -0.072 0.000 2.351 524 A HA 0.546 4.865 4.320 -0.001 0.000 0.257 524 A C -0.072 177.459 177.584 -0.087 0.000 1.087 524 A CA 0.270 52.266 52.037 -0.068 0.000 0.798 524 A CB -0.141 18.822 19.000 -0.063 0.000 1.033 524 A HN 0.835 nan 8.150 nan 0.000 0.488 525 T N 4.335 118.851 114.554 -0.064 0.000 2.788 525 T HA 0.539 4.888 4.350 -0.001 0.000 0.296 525 T C -2.257 172.408 174.700 -0.058 0.000 1.009 525 T CA -0.628 61.435 62.100 -0.061 0.000 0.949 525 T CB 0.905 69.753 68.868 -0.033 0.000 0.946 525 T HN 0.674 nan 8.240 nan 0.000 0.453 526 P HA 0.286 nan 4.420 nan 0.000 0.277 526 P C 0.486 177.761 177.300 -0.042 0.000 1.240 526 P CA -0.398 62.673 63.100 -0.048 0.000 0.798 526 P CB 1.833 33.508 31.700 -0.042 0.000 0.979 527 E N 0.868 121.045 120.200 -0.039 0.000 2.102 527 E HA -0.070 4.279 4.350 -0.001 0.000 0.190 527 E C -0.167 176.398 176.600 -0.058 0.000 0.971 527 E CA 0.568 56.941 56.400 -0.046 0.000 0.821 527 E CB 0.276 29.951 29.700 -0.042 0.000 0.777 527 E HN 0.679 nan 8.360 nan 0.000 0.460 528 D N -0.608 119.744 120.400 -0.080 0.000 2.497 528 D HA 0.379 5.019 4.640 -0.001 0.000 0.243 528 D C -0.244 175.960 176.300 -0.161 0.000 1.039 528 D CA -0.873 53.056 54.000 -0.118 0.000 1.052 528 D CB 1.716 42.425 40.800 -0.153 0.000 1.344 528 D HN -0.006 nan 8.370 nan 0.000 0.553 529 V N -3.698 116.129 119.914 -0.144 0.000 3.193 529 V HA 0.596 4.715 4.120 -0.001 0.000 0.320 529 V C -0.699 175.197 176.094 -0.331 0.000 1.112 529 V CA -0.702 61.558 62.300 -0.068 0.000 1.026 529 V CB 1.623 33.581 31.823 0.225 0.000 1.128 529 V HN 0.676 nan 8.190 nan 0.000 0.452 530 H N 0.832 119.806 119.070 -0.160 0.000 2.646 530 H HA 0.401 4.956 4.556 -0.001 0.000 0.328 530 H C -0.933 174.220 175.328 -0.291 0.000 0.998 530 H CA -0.330 55.490 56.048 -0.379 0.000 1.225 530 H CB 1.165 30.301 29.762 -1.043 0.000 1.457 530 H HN 0.953 nan 8.280 nan 0.000 0.505 531 H N 3.285 122.215 119.070 -0.233 0.000 2.767 531 H HA 0.110 4.665 4.556 -0.001 0.000 0.316 531 H C 0.010 175.148 175.328 -0.317 0.000 1.059 531 H CA -0.408 55.235 56.048 -0.675 0.000 1.461 531 H CB 1.147 30.530 29.762 -0.631 0.000 1.475 531 H HN 0.333 nan 8.280 nan 0.000 0.531 532 V N 3.876 123.481 119.914 -0.515 0.000 2.502 532 V HA 0.015 4.134 4.120 -0.001 0.000 0.234 532 V C 0.476 176.230 176.094 -0.567 0.000 1.072 532 V CA 1.105 63.231 62.300 -0.289 0.000 1.094 532 V CB 0.165 31.991 31.823 0.005 0.000 0.761 532 V HN 0.877 nan 8.190 nan 0.000 0.489 533 S N -1.828 113.517 115.700 -0.591 0.000 2.558 533 S HA 0.603 5.073 4.470 -0.001 0.000 0.277 533 S C 0.073 174.588 174.600 -0.140 0.000 1.143 533 S CA 0.156 58.101 58.200 -0.425 0.000 0.865 533 S CB 1.287 64.364 63.200 -0.206 0.000 1.102 533 S HN 1.588 nan 8.310 nan 0.000 0.454 534 G N 2.479 111.315 108.800 0.060 0.000 2.629 534 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.313 534 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.313 534 G C 0.088 175.128 174.900 0.235 0.000 1.217 534 G CA 0.824 46.008 45.100 0.141 0.000 0.994 534 G HN 0.895 nan 8.290 nan 0.000 0.549 535 D N 0.566 121.064 120.400 0.164 0.000 2.340 535 D HA 0.209 4.848 4.640 -0.001 0.000 0.217 535 D C 0.619 177.075 176.300 0.259 0.000 1.081 535 D CA -0.068 54.074 54.000 0.236 0.000 0.842 535 D CB 0.390 41.290 40.800 0.167 0.000 0.934 535 D HN 0.162 nan 8.370 nan 0.000 0.511 536 L N 1.246 122.544 121.223 0.125 0.000 2.290 536 L HA 0.236 4.576 4.340 -0.001 0.000 0.284 536 L C -1.161 175.709 176.870 -0.001 0.000 1.078 536 L CA -0.110 54.784 54.840 0.090 0.000 0.815 536 L CB 0.175 42.250 42.059 0.026 0.000 1.162 536 L HN -0.181 nan 8.230 nan 0.000 0.435 537 Y N 4.190 124.424 120.300 -0.110 0.000 2.638 537 Y HA 0.642 5.191 4.550 -0.001 0.000 0.339 537 Y C -0.918 174.864 175.900 -0.197 0.000 1.084 537 Y CA -0.636 57.322 58.100 -0.236 0.000 1.068 537 Y CB 1.879 40.007 38.460 -0.553 0.000 1.294 537 Y HN 0.541 nan 8.280 nan 0.000 0.480 538 Y N -2.000 118.342 120.300 0.070 0.000 2.544 538 Y HA 0.787 5.336 4.550 -0.001 0.000 0.342 538 Y C -2.130 173.893 175.900 0.206 0.000 1.062 538 Y CA -1.681 56.415 58.100 -0.007 0.000 1.023 538 Y CB 0.497 38.567 38.460 -0.651 0.000 1.308 538 Y HN 0.316 nan 8.280 nan 0.000 0.457 539 V N 2.967 123.149 119.914 0.447 0.000 2.427 539 V HA 0.361 4.480 4.120 -0.001 0.000 0.286 539 V C -0.484 175.684 176.094 0.123 0.000 1.034 539 V CA -0.615 61.856 62.300 0.285 0.000 0.893 539 V CB 1.369 33.320 31.823 0.214 0.000 0.982 539 V HN 0.853 nan 8.190 nan 0.000 0.452 540 E N 4.936 125.161 120.200 0.041 0.000 2.129 540 E HA 0.415 4.764 4.350 -0.001 0.000 0.268 540 E C -1.221 175.194 176.600 -0.308 0.000 0.900 540 E CA -0.714 55.595 56.400 -0.152 0.000 0.755 540 E CB 1.105 30.723 29.700 -0.138 0.000 1.117 540 E HN 0.469 nan 8.360 nan 0.000 0.410 541 I N 3.720 123.927 120.570 -0.606 0.000 2.331 541 I HA 0.188 4.357 4.170 -0.001 0.000 0.292 541 I C -0.037 175.803 176.117 -0.462 0.000 0.998 541 I CA -0.465 60.430 61.300 -0.675 0.000 1.267 541 I CB 1.142 38.384 38.000 -1.263 0.000 1.386 541 I HN 0.589 nan 8.210 nan 0.000 0.476 542 D N 5.708 125.948 120.400 -0.266 0.000 2.329 542 D HA 0.261 4.901 4.640 -0.001 0.000 0.232 542 D C -0.134 176.107 176.300 -0.099 0.000 1.088 542 D CA -0.241 53.667 54.000 -0.153 0.000 0.835 542 D CB 1.133 41.870 40.800 -0.105 0.000 1.078 542 D HN 0.499 nan 8.370 nan 0.000 0.495 543 c N 2.852 121.421 118.600 -0.052 0.000 3.125 543 c HA 0.170 4.740 4.570 -0.001 0.000 0.284 543 c C 0.790 174.888 174.090 0.014 0.000 1.386 543 c CA -0.325 56.001 56.329 -0.006 0.000 1.763 543 c CB -1.327 41.207 42.510 0.040 0.000 2.377 543 c HN 0.694 nan 8.230 nan 0.000 0.620 544 T N -1.093 113.464 114.554 0.004 0.000 2.928 544 T HA 0.431 4.780 4.350 -0.001 0.000 0.305 544 T C 1.280 175.989 174.700 0.016 0.000 1.035 544 T CA 1.077 63.187 62.100 0.016 0.000 1.145 544 T CB 0.941 69.812 68.868 0.006 0.000 0.963 544 T HN 1.047 nan 8.240 nan 0.000 0.545 545 G N 1.942 110.758 108.800 0.027 0.000 2.279 545 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.223 545 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.223 545 G C -0.052 174.871 174.900 0.040 0.000 1.015 545 G CA -0.233 44.883 45.100 0.026 0.000 0.621 545 G HN 0.818 nan 8.290 nan 0.000 0.506 546 E N 1.541 121.766 120.200 0.043 0.000 2.290 546 E HA 0.355 4.704 4.350 -0.001 0.000 0.277 546 E C 0.079 176.733 176.600 0.090 0.000 1.035 546 E CA -0.024 56.409 56.400 0.056 0.000 0.873 546 E CB 0.906 30.630 29.700 0.040 0.000 1.029 546 E HN 0.428 nan 8.360 nan 0.000 0.419 547 K N 3.602 124.081 120.400 0.132 0.000 2.231 547 K HA 0.339 4.659 4.320 -0.001 0.000 0.275 547 K C -0.049 176.726 176.600 0.292 0.000 1.105 547 K CA -0.182 56.241 56.287 0.227 0.000 0.931 547 K CB 0.345 33.009 32.500 0.272 0.000 1.296 547 K HN 0.331 nan 8.250 nan 0.000 0.446 548 I N 5.590 126.291 120.570 0.219 0.000 2.297 548 I HA 0.294 4.463 4.170 -0.001 0.000 0.291 548 I C -0.393 175.876 176.117 0.252 0.000 1.033 548 I CA -0.776 60.601 61.300 0.128 0.000 1.253 548 I CB -0.076 37.958 38.000 0.057 0.000 1.396 548 I HN 0.392 nan 8.210 nan 0.000 0.476 549 F N 6.230 126.255 119.950 0.125 0.000 2.631 549 F HA 0.604 5.130 4.527 -0.001 0.000 0.308 549 F C -2.866 173.081 175.800 0.246 0.000 1.097 549 F CA -2.973 55.122 58.000 0.159 0.000 0.952 549 F CB 1.122 40.205 39.000 0.138 0.000 1.307 549 F HN 0.100 nan 8.300 nan 0.000 0.450 550 P HA 0.230 nan 4.420 nan 0.000 0.241 550 P C 0.191 177.740 177.300 0.414 0.000 1.760 550 P CA 0.420 63.724 63.100 0.340 0.000 1.081 550 P CB 0.044 31.926 31.700 0.303 0.000 1.975 551 G N 0.344 109.349 108.800 0.342 0.000 5.253 551 G HA2 0.507 4.466 3.960 -0.001 0.000 0.238 551 G HA3 0.507 4.466 3.960 -0.001 0.000 0.238 551 G C 0.044 175.207 174.900 0.439 0.000 0.867 551 G CA -0.032 45.441 45.100 0.621 0.000 0.717 551 G HN 0.662 nan 8.290 nan 0.000 0.405 552 G N -0.578 108.339 108.800 0.195 0.000 2.340 552 G HA2 0.344 4.303 3.960 -0.001 0.000 0.300 552 G HA3 0.344 4.303 3.960 -0.001 0.000 0.300 552 G C -0.004 175.030 174.900 0.223 0.000 1.488 552 G CA -0.062 45.143 45.100 0.176 0.000 0.878 552 G HN 0.086 nan 8.290 nan 0.000 0.618 553 Q N 0.215 120.124 119.800 0.182 0.000 2.020 553 Q HA -0.015 4.325 4.340 -0.001 0.000 0.202 553 Q C 2.598 178.694 176.000 0.161 0.000 0.982 553 Q CA 2.972 58.912 55.803 0.228 0.000 0.838 553 Q CB -0.332 28.481 28.738 0.126 0.000 0.899 553 Q HN 0.529 nan 8.270 nan 0.000 0.423 554 S N -0.101 115.637 115.700 0.064 0.000 2.478 554 S HA 0.000 4.470 4.470 -0.001 0.000 0.222 554 S C 1.530 176.079 174.600 -0.085 0.000 1.008 554 S CA 0.652 58.843 58.200 -0.016 0.000 0.928 554 S CB -0.020 63.191 63.200 0.019 0.000 0.781 554 S HN 0.347 nan 8.310 nan 0.000 0.518 555 E N 1.413 121.554 120.200 -0.099 0.000 2.107 555 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 555 E C 1.860 178.274 176.600 -0.310 0.000 0.982 555 E CA 1.091 57.303 56.400 -0.312 0.000 0.809 555 E CB -0.245 29.057 29.700 -0.664 0.000 0.756 555 E HN 0.748 nan 8.360 nan 0.000 0.459 556 H N 0.658 119.613 119.070 -0.193 0.000 2.555 556 H HA 0.124 4.679 4.556 -0.001 0.000 0.269 556 H C 0.123 175.401 175.328 -0.083 0.000 0.988 556 H CA 0.317 56.307 56.048 -0.098 0.000 1.178 556 H CB 0.097 29.896 29.762 0.062 0.000 1.373 556 H HN 0.054 nan 8.280 nan 0.000 0.588 557 R N -0.254 119.933 120.500 -0.521 0.000 2.774 557 R HA 0.623 4.962 4.340 -0.001 0.000 0.272 557 R C -1.217 174.951 176.300 -0.220 0.000 1.000 557 R CA -1.132 54.713 56.100 -0.424 0.000 0.906 557 R CB 1.838 31.775 30.300 -0.605 0.000 1.227 557 R HN -0.114 nan 8.270 nan 0.000 0.468 558 R N 1.303 121.716 120.500 -0.145 0.000 2.502 558 R HA 0.261 4.600 4.340 -0.001 0.000 0.300 558 R C -1.180 175.082 176.300 -0.062 0.000 0.984 558 R CA -0.768 55.284 56.100 -0.079 0.000 0.882 558 R CB 2.016 32.297 30.300 -0.032 0.000 1.180 558 R HN 0.833 nan 8.270 nan 0.000 0.444 559 E N 2.266 122.418 120.200 -0.080 0.000 2.227 559 E HA 0.381 4.731 4.350 -0.001 0.000 0.282 559 E C -0.996 175.520 176.600 -0.139 0.000 1.015 559 E CA -0.550 55.809 56.400 -0.069 0.000 0.823 559 E CB 1.211 30.910 29.700 -0.003 0.000 1.081 559 E HN 0.173 nan 8.360 nan 0.000 0.396 560 V N 5.404 125.330 119.914 0.018 0.000 2.447 560 V HA 0.193 4.312 4.120 -0.001 0.000 0.292 560 V C -0.653 175.577 176.094 0.226 0.000 1.021 560 V CA -0.757 61.607 62.300 0.106 0.000 0.850 560 V CB 1.503 33.511 31.823 0.309 0.000 1.005 560 V HN 0.732 nan 8.190 nan 0.000 0.426 561 Q N 4.650 124.537 119.800 0.145 0.000 2.256 561 Q HA 0.782 5.121 4.340 -0.001 0.000 0.257 561 Q C -1.114 175.032 176.000 0.244 0.000 0.936 561 Q CA -0.521 55.373 55.803 0.153 0.000 0.903 561 Q CB 2.528 31.336 28.738 0.116 0.000 1.263 561 Q HN 0.761 nan 8.270 nan 0.000 0.440 562 F N -1.079 118.886 119.950 0.026 0.000 2.605 562 F HA 0.532 5.058 4.527 -0.001 0.000 0.320 562 F C -1.377 174.388 175.800 -0.057 0.000 1.159 562 F CA -1.124 56.864 58.000 -0.021 0.000 0.999 562 F CB 1.275 40.268 39.000 -0.011 0.000 1.258 562 F HN 0.333 nan 8.300 nan 0.000 0.464 563 R N 4.990 125.502 120.500 0.020 0.000 2.338 563 R HA 0.703 5.043 4.340 -0.001 0.000 0.317 563 R C -1.506 174.731 176.300 -0.105 0.000 0.968 563 R CA -0.691 55.345 56.100 -0.107 0.000 0.849 563 R CB 1.212 31.378 30.300 -0.224 0.000 1.128 563 R HN 0.948 nan 8.270 nan 0.000 0.448 564 I N 4.370 124.832 120.570 -0.181 0.000 2.337 564 I HA 0.287 4.456 4.170 -0.001 0.000 0.285 564 I C -0.001 175.720 176.117 -0.660 0.000 1.041 564 I CA -0.535 60.550 61.300 -0.359 0.000 1.199 564 I CB 1.627 39.399 38.000 -0.380 0.000 1.370 564 I HN 0.605 nan 8.210 nan 0.000 0.470 565 A N 4.260 126.777 122.820 -0.506 0.000 2.269 565 A HA 0.619 4.938 4.320 -0.001 0.000 0.302 565 A C 1.016 178.266 177.584 -0.556 0.000 1.266 565 A CA -0.271 51.477 52.037 -0.483 0.000 0.894 565 A CB 0.474 19.300 19.000 -0.289 0.000 1.147 565 A HN 0.885 nan 8.150 nan 0.000 0.537 566 G N 1.413 109.788 108.800 -0.708 0.000 3.192 566 G HA2 0.520 4.479 3.960 -0.001 0.000 0.239 566 G HA3 0.520 4.479 3.960 -0.001 0.000 0.239 566 G C 0.854 175.741 174.900 -0.022 0.000 1.084 566 G CA 0.657 45.581 45.100 -0.292 0.000 0.784 566 G HN 2.091 nan 8.290 nan 0.000 0.540 567 G N 0.537 109.309 108.800 -0.047 0.000 2.760 567 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.246 567 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.246 567 G C -2.691 172.265 174.900 0.094 0.000 1.359 567 G CA -0.447 44.669 45.100 0.027 0.000 0.861 567 G HN 0.284 nan 8.290 nan 0.000 0.541 568 P HA 0.368 nan 4.420 nan 0.000 0.267 568 P C 1.018 178.376 177.300 0.096 0.000 1.205 568 P CA 1.740 64.887 63.100 0.078 0.000 0.765 568 P CB 0.772 32.502 31.700 0.049 0.000 0.828 569 G N 2.641 111.503 108.800 0.104 0.000 2.316 569 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.203 569 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.203 569 G C -0.163 174.803 174.900 0.110 0.000 0.999 569 G CA -0.491 44.661 45.100 0.087 0.000 0.649 569 G HN 0.596 nan 8.290 nan 0.000 0.489 570 W N 2.826 124.110 121.300 -0.027 0.000 2.347 570 W HA 0.485 5.144 4.660 -0.001 0.000 0.333 570 W C -1.062 175.423 176.519 -0.056 0.000 1.383 570 W CA 1.374 58.692 57.345 -0.044 0.000 1.283 570 W CB 0.744 30.161 29.460 -0.071 0.000 1.253 570 W HN 0.177 nan 8.180 nan 0.000 0.563 571 D N 8.484 128.500 120.400 -0.640 0.000 2.476 571 D HA 0.231 4.870 4.640 -0.001 0.000 0.251 571 D C -1.666 174.254 176.300 -0.632 0.000 1.291 571 D CA -2.041 51.681 54.000 -0.463 0.000 0.939 571 D CB 1.988 42.654 40.800 -0.225 0.000 1.221 571 D HN 0.106 nan 8.370 nan 0.000 0.567 572 P HA -0.043 nan 4.420 nan 0.000 0.236 572 P C 0.983 178.173 177.300 -0.183 0.000 1.177 572 P CA 0.303 63.081 63.100 -0.537 0.000 0.773 572 P CB 0.254 31.427 31.700 -0.877 0.000 0.878 573 S N 1.265 116.921 115.700 -0.073 0.000 2.447 573 S HA -0.125 4.344 4.470 -0.001 0.000 0.233 573 S C 1.430 176.069 174.600 0.065 0.000 1.006 573 S CA 1.089 59.334 58.200 0.075 0.000 0.957 573 S CB -1.320 61.904 63.200 0.040 0.000 0.773 573 S HN 0.221 nan 8.310 nan 0.000 0.507 574 N N 0.804 119.513 118.700 0.016 0.000 2.235 574 N HA 0.173 4.913 4.740 -0.001 0.000 0.209 574 N C -1.347 174.227 175.510 0.107 0.000 1.122 574 N CA -0.350 52.728 53.050 0.048 0.000 0.845 574 N CB -0.323 38.178 38.487 0.023 0.000 1.004 574 N HN 0.186 nan 8.380 nan 0.000 0.499 575 D N 0.129 120.613 120.400 0.141 0.000 2.264 575 D HA 0.013 4.652 4.640 -0.001 0.000 0.250 575 D C 0.734 177.195 176.300 0.270 0.000 1.113 575 D CA -0.602 53.553 54.000 0.258 0.000 0.871 575 D CB 1.143 42.129 40.800 0.310 0.000 1.167 575 D HN 0.154 nan 8.370 nan 0.000 0.447 576 W N 2.697 124.063 121.300 0.111 0.000 2.329 576 W HA -0.252 4.407 4.660 -0.001 0.000 0.324 576 W C 1.161 177.686 176.519 0.010 0.000 1.222 576 W CA 1.299 58.655 57.345 0.018 0.000 1.270 576 W CB -0.169 29.316 29.460 0.043 0.000 1.167 576 W HN 0.213 nan 8.180 nan 0.000 0.467 577 S N 0.592 116.375 115.700 0.138 0.000 2.500 577 S HA -0.179 4.290 4.470 -0.001 0.000 0.239 577 S C 1.258 175.817 174.600 -0.069 0.000 0.989 577 S CA 1.036 59.185 58.200 -0.085 0.000 0.951 577 S CB -0.713 62.246 63.200 -0.402 0.000 0.759 577 S HN 0.292 nan 8.310 nan 0.000 0.523 578 F N 2.372 122.255 119.950 -0.112 0.000 2.456 578 F HA 0.149 4.675 4.527 -0.001 0.000 0.298 578 F C 0.878 176.670 175.800 -0.014 0.000 1.104 578 F CA -0.009 58.034 58.000 0.072 0.000 1.435 578 F CB -0.374 38.726 39.000 0.165 0.000 1.078 578 F HN 0.129 nan 8.300 nan 0.000 0.546 579 Q N 0.263 119.920 119.800 -0.238 0.000 2.262 579 Q HA 0.270 4.610 4.340 -0.001 0.000 0.298 579 Q C 1.295 177.147 176.000 -0.246 0.000 1.083 579 Q CA 0.925 56.503 55.803 -0.374 0.000 0.962 579 Q CB -0.141 28.139 28.738 -0.764 0.000 1.104 579 Q HN 0.558 nan 8.270 nan 0.000 0.376 580 G N 2.853 111.512 108.800 -0.235 0.000 2.241 580 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.244 580 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.244 580 G C 0.230 175.044 174.900 -0.143 0.000 0.998 580 G CA -0.372 44.653 45.100 -0.125 0.000 0.621 580 G HN 0.602 nan 8.290 nan 0.000 0.519 581 I N 2.583 122.996 120.570 -0.262 0.000 2.505 581 I HA 0.454 4.623 4.170 -0.001 0.000 0.287 581 I C 1.439 177.431 176.117 -0.209 0.000 1.104 581 I CA 0.633 61.818 61.300 -0.193 0.000 1.387 581 I CB 0.608 38.510 38.000 -0.163 0.000 1.404 581 I HN 0.236 nan 8.210 nan 0.000 0.528 582 G N 4.224 112.977 108.800 -0.078 0.000 2.890 582 G HA2 0.200 4.159 3.960 -0.001 0.000 0.189 582 G HA3 0.200 4.159 3.960 -0.001 0.000 0.189 582 G C 0.302 175.206 174.900 0.008 0.000 1.342 582 G CA -0.500 44.575 45.100 -0.041 0.000 1.026 582 G HN 0.645 nan 8.290 nan 0.000 0.579 583 N N -0.075 118.637 118.700 0.020 0.000 2.336 583 N HA 0.110 4.849 4.740 -0.001 0.000 0.189 583 N C -0.441 175.090 175.510 0.036 0.000 1.113 583 N CA 0.116 53.187 53.050 0.035 0.000 0.858 583 N CB 0.518 39.026 38.487 0.035 0.000 0.970 583 N HN 0.213 nan 8.380 nan 0.000 0.471 584 E N 0.969 121.188 120.200 0.031 0.000 2.195 584 E HA 0.172 4.521 4.350 -0.001 0.000 0.271 584 E C -0.780 175.846 176.600 0.043 0.000 0.923 584 E CA -0.926 55.495 56.400 0.036 0.000 0.790 584 E CB 2.196 31.914 29.700 0.030 0.000 1.155 584 E HN -0.028 nan 8.360 nan 0.000 0.402 585 L N 2.223 123.477 121.223 0.052 0.000 2.534 585 L HA 0.304 4.644 4.340 -0.001 0.000 0.271 585 L C -0.479 176.430 176.870 0.066 0.000 1.178 585 L CA 0.530 55.407 54.840 0.062 0.000 0.907 585 L CB -0.227 41.871 42.059 0.066 0.000 1.164 585 L HN 0.645 nan 8.230 nan 0.000 0.482 586 A N 5.620 128.485 122.820 0.074 0.000 2.612 586 A HA 0.759 5.078 4.320 -0.001 0.000 0.293 586 A C -2.864 174.785 177.584 0.108 0.000 1.075 586 A CA -1.382 50.701 52.037 0.075 0.000 0.680 586 A CB 1.100 20.130 19.000 0.051 0.000 1.279 586 A HN 0.511 nan 8.150 nan 0.000 0.411 587 P HA 0.279 nan 4.420 nan 0.000 0.262 587 P C -0.418 177.052 177.300 0.283 0.000 1.182 587 P CA 0.584 63.797 63.100 0.187 0.000 0.761 587 P CB 0.694 32.449 31.700 0.091 0.000 0.795 588 A N 5.947 129.003 122.820 0.393 0.000 2.540 588 A HA 0.436 4.756 4.320 -0.001 0.000 0.340 588 A C -1.696 176.094 177.584 0.344 0.000 1.424 588 A CA -1.408 50.822 52.037 0.321 0.000 0.940 588 A CB 0.270 19.442 19.000 0.286 0.000 1.149 588 A HN 0.346 nan 8.150 nan 0.000 0.505 589 P HA -0.128 nan 4.420 nan 0.000 0.222 589 P C 0.148 176.976 177.300 -0.787 0.000 1.147 589 P CA 1.384 64.088 63.100 -0.661 0.000 0.790 589 P CB -0.023 31.152 31.700 -0.875 0.000 0.780 590 Y N -1.708 118.526 120.300 -0.109 0.000 2.493 590 Y HA 0.268 4.817 4.550 -0.002 0.000 0.275 590 Y C 0.961 176.998 175.900 0.228 0.000 1.183 590 Y CA -0.322 57.729 58.100 -0.081 0.000 1.258 590 Y CB -0.294 37.870 38.460 -0.494 0.000 1.108 590 Y HN -0.105 nan 8.280 nan 0.000 0.521 591 I N 1.002 121.780 120.570 0.348 0.000 2.330 591 I HA 0.241 4.410 4.170 -0.001 0.000 0.289 591 I C -0.692 175.703 176.117 0.464 0.000 1.001 591 I CA -0.847 60.743 61.300 0.483 0.000 1.193 591 I CB 1.322 39.562 38.000 0.401 0.000 1.345 591 I HN -0.278 nan 8.210 nan 0.000 0.461 592 V N 7.284 127.546 119.914 0.580 0.000 2.432 592 V HA 0.223 4.342 4.120 -0.001 0.000 0.275 592 V C -0.076 176.285 176.094 0.445 0.000 1.043 592 V CA -0.527 62.015 62.300 0.404 0.000 0.925 592 V CB 1.554 33.609 31.823 0.386 0.000 0.985 592 V HN 0.401 nan 8.190 nan 0.000 0.466 593 L N 6.789 128.215 121.223 0.337 0.000 2.282 593 L HA 0.590 4.929 4.340 -0.001 0.000 0.288 593 L C -1.166 175.851 176.870 0.245 0.000 1.033 593 L CA 0.044 55.119 54.840 0.392 0.000 0.807 593 L CB 0.940 43.196 42.059 0.329 0.000 1.209 593 L HN 0.524 nan 8.230 nan 0.000 0.423 594 Y N 2.549 122.965 120.300 0.193 0.000 2.364 594 Y HA 0.406 4.955 4.550 -0.001 0.000 0.340 594 Y C -0.389 175.576 175.900 0.108 0.000 0.975 594 Y CA -1.213 56.967 58.100 0.134 0.000 1.089 594 Y CB 1.406 39.922 38.460 0.093 0.000 1.192 594 Y HN 0.543 nan 8.280 nan 0.000 0.454 595 D N 2.862 123.405 120.400 0.239 0.000 2.428 595 D HA 0.175 4.814 4.640 -0.001 0.000 0.221 595 D C -0.283 176.105 176.300 0.145 0.000 1.123 595 D CA 0.019 54.118 54.000 0.165 0.000 0.869 595 D CB 0.188 41.066 40.800 0.130 0.000 1.032 595 D HN 0.620 nan 8.370 nan 0.000 0.506 596 D N 3.356 123.829 120.400 0.122 0.000 2.746 596 D HA -0.178 4.461 4.640 -0.001 0.000 0.236 596 D C 1.026 177.384 176.300 0.098 0.000 1.129 596 D CA 1.909 55.960 54.000 0.086 0.000 0.691 596 D CB -1.139 39.702 40.800 0.070 0.000 1.077 596 D HN 0.805 nan 8.370 nan 0.000 0.432 597 G N -2.347 106.534 108.800 0.135 0.000 2.225 597 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.254 597 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.254 597 G C 0.360 175.450 174.900 0.318 0.000 0.988 597 G CA 0.212 45.405 45.100 0.155 0.000 0.625 597 G HN 0.944 nan 8.290 nan 0.000 0.527 598 V N 2.520 122.587 119.914 0.256 0.000 2.407 598 V HA 0.464 4.584 4.120 -0.001 0.000 0.278 598 V C -1.840 174.325 176.094 0.119 0.000 1.037 598 V CA -1.637 60.773 62.300 0.183 0.000 0.900 598 V CB 1.662 33.551 31.823 0.110 0.000 0.983 598 V HN 0.079 nan 8.190 nan 0.000 0.459 599 P HA 0.095 nan 4.420 nan 0.000 0.267 599 P C 0.402 177.658 177.300 -0.073 0.000 1.209 599 P CA 0.351 63.274 63.100 -0.294 0.000 0.763 599 P CB 0.828 32.339 31.700 -0.315 0.000 0.816 600 V N 3.057 122.971 119.914 -0.000 0.000 3.570 600 V HA 0.234 4.353 4.120 -0.001 0.000 0.257 600 V C 0.162 176.389 176.094 0.221 0.000 1.272 600 V CA 0.260 62.627 62.300 0.112 0.000 1.079 600 V CB 0.065 31.977 31.823 0.147 0.000 0.829 600 V HN 0.622 nan 8.190 nan 0.000 0.454 601 W N -0.009 121.273 121.300 -0.029 0.000 3.213 601 W HA 0.540 5.199 4.660 -0.002 0.000 0.318 601 W C -0.046 176.461 176.519 -0.020 0.000 1.248 601 W CA 0.181 57.523 57.345 -0.004 0.000 1.187 601 W CB 1.645 31.141 29.460 0.059 0.000 1.403 601 W HN 0.394 nan 8.180 nan 0.000 0.556 602 G N 1.746 109.955 108.800 -0.984 0.000 2.781 602 G HA2 0.118 4.077 3.960 -0.001 0.000 0.683 602 G HA3 0.118 4.077 3.960 -0.001 0.000 0.683 602 G C -0.677 173.996 174.900 -0.378 0.000 1.390 602 G CA -0.167 44.458 45.100 -0.793 0.000 0.850 602 G HN 1.454 nan 8.290 nan 0.000 0.557 603 T N -1.692 112.722 114.554 -0.233 0.000 2.824 603 T HA 0.931 5.281 4.350 -0.001 0.000 0.282 603 T C 0.365 175.157 174.700 0.152 0.000 0.993 603 T CA 0.672 62.741 62.100 -0.052 0.000 0.967 603 T CB 1.854 70.711 68.868 -0.019 0.000 0.960 603 T HN 2.332 nan 8.240 nan 0.000 0.441 604 A N 4.032 126.794 122.820 -0.097 0.000 2.271 604 A HA 0.814 5.134 4.320 -0.001 0.000 0.288 604 A C -2.200 174.899 177.584 -0.809 0.000 1.094 604 A CA -1.595 50.119 52.037 -0.537 0.000 0.828 604 A CB -0.620 18.048 19.000 -0.554 0.000 1.091 604 A HN 0.734 nan 8.150 nan 0.000 0.493 605 P HA 0.000 nan 4.420 nan 0.000 0.216 605 P CA 0.000 62.032 63.100 -1.780 0.000 0.800 605 P CB 0.000 30.723 31.700 -1.628 0.000 0.726