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 3lem_1_A DATA FIRST_RESID 20 DATA SEQUENCE SYHLDTTAPP PTNLSTLPNN TLFHLWRPRA HILPAEGQIG DPCAHYTDPS DATA SEQUENCE TGLFHVGFLH DGDGIAGATT ANLATYTDTS DNGSFLIQPG GKNDPVAVFD DATA SEQUENCE GAVIPVGVNN TPTLLYTSVS FLPIHWSIPY TRGSETQSLA VARDGGRRFD DATA SEQUENCE KLDQGPVIAD HPFAVDVTAF RAPFVFRSAR LDVLLSLDEE VARNETAVQQ DATA SEQUENCE AVDGWTEKNA PWYVAVSGGV HGVGPAQFLY RQNGGNASEF QYWEYLGEWW DATA SEQUENCE QEATNSSWGD EGTWAGRWGF NFETGNVLFL TEEGHDPQTG EVFVTLGTEG DATA SEQUENCE SGLPIVPQVS SIHDMLWAAG EVGVGSEQEG AKVEFSPSMA GFLDWGFSAY DATA SEQUENCE AAAGKVLPAS SAVSKTSGVE VDRYVSFVWL TGDQYEQADG FPTAQQGWTG DATA SEQUENCE SLLLPRELKV QTVENVVDNE LVREEGVSWV VGESDNQTAT LRTLGITIAR DATA SEQUENCE ETKAALLANG SVTAEEDRTL QTAAVVPFAQ SPSSKFFVLT AQLEFPASAR DATA SEQUENCE SSPLQSGFEI LASELERTAI YYQFSNESLV VDRSQTSAAA PTNPGLDSFT DATA SEQUENCE ESGKLRLFDV IENGQEQVET LDLTVVVDNA VVEVYANGRF ALSTWARSWY DATA SEQUENCE DNSTQIRFFH NGEGEVQFRN VSVSEGLYNA WPER 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.713 174.600 0.188 0.000 1.055 20 S CA 0.000 58.264 58.200 0.107 0.000 1.107 20 S CB 0.000 63.238 63.200 0.063 0.000 0.593 21 Y N 5.354 125.702 120.300 0.080 0.000 2.328 21 Y HA 0.639 5.189 4.550 -0.000 0.000 0.337 21 Y C -0.260 175.736 175.900 0.161 0.000 0.966 21 Y CA -0.538 57.633 58.100 0.120 0.000 1.136 21 Y CB 0.820 39.318 38.460 0.063 0.000 1.170 21 Y HN 0.811 nan 8.280 nan 0.000 0.470 22 H N 6.044 124.724 119.070 -0.651 0.000 2.524 22 H HA 0.327 4.883 4.556 -0.000 0.000 0.353 22 H C -1.344 173.466 175.328 -0.863 0.000 1.136 22 H CA -1.491 54.221 56.048 -0.561 0.000 1.193 22 H CB 1.667 31.278 29.762 -0.253 0.000 1.558 22 H HN 0.774 nan 8.280 nan 0.000 0.515 23 L N 3.032 123.798 121.223 -0.762 0.000 2.615 23 L HA 0.077 4.417 4.340 -0.000 0.000 0.271 23 L C -0.064 176.466 176.870 -0.567 0.000 1.183 23 L CA 0.909 55.408 54.840 -0.570 0.000 0.933 23 L CB -0.247 41.651 42.059 -0.269 0.000 1.199 23 L HN 0.733 nan 8.230 nan 0.000 0.487 24 D N 3.050 123.218 120.400 -0.387 0.000 2.389 24 D HA 0.133 4.773 4.640 -0.000 0.000 0.256 24 D C 0.460 176.744 176.300 -0.026 0.000 1.239 24 D CA -0.068 53.789 54.000 -0.239 0.000 0.925 24 D CB 1.225 41.894 40.800 -0.219 0.000 1.145 24 D HN 0.664 nan 8.370 nan 0.000 0.542 25 T N -0.366 114.086 114.554 -0.170 0.000 3.317 25 T HA -0.008 4.342 4.350 -0.000 0.000 0.250 25 T C 1.368 176.087 174.700 0.030 0.000 1.106 25 T CA 0.472 62.391 62.100 -0.302 0.000 0.986 25 T CB -0.288 68.180 68.868 -0.666 0.000 1.010 25 T HN 0.329 nan 8.240 nan 0.000 0.560 26 T N -2.258 112.395 114.554 0.164 0.000 3.001 26 T HA 0.629 4.979 4.350 -0.000 0.000 0.251 26 T C 0.741 175.684 174.700 0.406 0.000 1.040 26 T CA 0.017 62.284 62.100 0.279 0.000 0.985 26 T CB 0.153 69.110 68.868 0.149 0.000 1.011 26 T HN 0.506 nan 8.240 nan 0.000 0.509 27 A N 2.009 125.058 122.820 0.382 0.000 2.311 27 A HA 0.817 5.137 4.320 -0.000 0.000 0.334 27 A C -2.864 174.969 177.584 0.415 0.000 1.139 27 A CA -2.292 49.969 52.037 0.373 0.000 0.830 27 A CB 0.612 19.758 19.000 0.244 0.000 1.234 27 A HN 0.168 nan 8.150 nan 0.000 0.483 28 P HA 0.140 nan 4.420 nan 0.000 0.266 28 P C -2.396 174.751 177.300 -0.255 0.000 1.193 28 P CA -0.364 62.761 63.100 0.042 0.000 0.770 28 P CB -0.060 31.676 31.700 0.060 0.000 0.836 29 P HA 0.192 nan 4.420 nan 0.000 0.274 29 P C -2.393 174.522 177.300 -0.642 0.000 1.231 29 P CA -1.559 60.816 63.100 -1.209 0.000 0.790 29 P CB -0.478 29.988 31.700 -2.056 0.000 0.951 30 P HA -0.015 nan 4.420 nan 0.000 0.269 30 P C 1.229 178.307 177.300 -0.369 0.000 1.215 30 P CA 0.098 62.921 63.100 -0.462 0.000 0.780 30 P CB 0.239 31.589 31.700 -0.583 0.000 0.898 31 T N -1.769 112.623 114.554 -0.270 0.000 2.788 31 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 31 T C 0.840 175.425 174.700 -0.193 0.000 1.044 31 T CA 0.977 62.951 62.100 -0.210 0.000 1.139 31 T CB -0.505 68.271 68.868 -0.153 0.000 0.867 31 T HN 0.406 nan 8.240 nan 0.000 0.454 32 N N 0.492 119.078 118.700 -0.189 0.000 2.569 32 N HA 0.367 5.107 4.740 -0.000 0.000 0.254 32 N C 0.545 175.959 175.510 -0.160 0.000 1.004 32 N CA -0.569 52.388 53.050 -0.155 0.000 0.904 32 N CB 0.802 39.218 38.487 -0.118 0.000 1.165 32 N HN 0.218 nan 8.380 nan 0.000 0.513 33 L N 0.993 122.120 121.223 -0.159 0.000 2.191 33 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 33 L C 1.545 178.351 176.870 -0.107 0.000 1.103 33 L CA 0.832 55.595 54.840 -0.127 0.000 0.769 33 L CB -0.127 41.863 42.059 -0.115 0.000 0.908 33 L HN 0.425 nan 8.230 nan 0.000 0.438 34 S N -1.043 114.588 115.700 -0.114 0.000 2.603 34 S HA -0.084 4.385 4.470 -0.000 0.000 0.229 34 S C 1.854 176.418 174.600 -0.059 0.000 0.972 34 S CA 1.237 59.382 58.200 -0.091 0.000 0.935 34 S CB -0.306 62.842 63.200 -0.087 0.000 0.769 34 S HN 0.637 nan 8.310 nan 0.000 0.536 35 T N -1.145 113.372 114.554 -0.062 0.000 3.037 35 T HA 0.277 4.627 4.350 -0.000 0.000 0.251 35 T C 0.540 175.232 174.700 -0.013 0.000 1.079 35 T CA -0.239 61.836 62.100 -0.042 0.000 1.067 35 T CB -0.208 68.624 68.868 -0.060 0.000 0.948 35 T HN -0.007 nan 8.240 nan 0.000 0.496 36 L N 2.602 123.823 121.223 -0.003 0.000 2.482 36 L HA 0.356 4.696 4.340 -0.000 0.000 0.273 36 L C -2.158 174.744 176.870 0.053 0.000 1.228 36 L CA -1.698 53.179 54.840 0.062 0.000 0.827 36 L CB -0.275 41.846 42.059 0.103 0.000 1.099 36 L HN 0.056 nan 8.230 nan 0.000 0.494 37 P HA 0.092 nan 4.420 nan 0.000 0.272 37 P C -0.834 176.495 177.300 0.048 0.000 1.223 37 P CA -0.460 62.672 63.100 0.054 0.000 0.784 37 P CB 0.343 32.079 31.700 0.059 0.000 0.923 38 N N 2.067 120.793 118.700 0.043 0.000 2.345 38 N HA -0.092 4.648 4.740 -0.000 0.000 0.243 38 N C 0.624 176.175 175.510 0.068 0.000 1.246 38 N CA 0.755 53.837 53.050 0.052 0.000 0.863 38 N CB -0.777 37.741 38.487 0.052 0.000 1.096 38 N HN 0.484 nan 8.380 nan 0.000 0.446 39 N N -1.473 117.290 118.700 0.104 0.000 2.765 39 N HA -0.244 4.496 4.740 -0.000 0.000 0.248 39 N C 0.325 175.913 175.510 0.130 0.000 1.063 39 N CA 1.154 54.302 53.050 0.163 0.000 0.862 39 N CB -0.986 37.566 38.487 0.109 0.000 1.145 39 N HN 0.535 nan 8.380 nan 0.000 0.581 40 T N 0.344 114.944 114.554 0.077 0.000 2.788 40 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 40 T C 1.370 176.084 174.700 0.023 0.000 1.044 40 T CA 0.916 63.047 62.100 0.050 0.000 1.139 40 T CB 0.037 68.939 68.868 0.057 0.000 0.867 40 T HN 0.306 nan 8.240 nan 0.000 0.454 41 L N 0.315 121.534 121.223 -0.006 0.000 2.728 41 L HA 0.321 4.661 4.340 -0.000 0.000 0.235 41 L C 1.504 178.353 176.870 -0.035 0.000 1.197 41 L CA -0.267 54.496 54.840 -0.128 0.000 0.992 41 L CB -0.501 41.404 42.059 -0.257 0.000 1.263 41 L HN 0.128 nan 8.230 nan 0.000 0.484 42 F N 1.067 120.998 119.950 -0.031 0.000 2.091 42 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 42 F C 2.214 178.051 175.800 0.062 0.000 1.103 42 F CA 2.138 60.165 58.000 0.046 0.000 1.228 42 F CB 0.040 38.952 39.000 -0.147 0.000 0.984 42 F HN 0.259 nan 8.300 nan 0.000 0.477 43 H N -1.749 117.510 119.070 0.316 0.000 2.595 43 H HA 0.045 4.601 4.556 -0.000 0.000 0.265 43 H C 1.757 177.127 175.328 0.070 0.000 0.953 43 H CA 0.450 56.625 56.048 0.211 0.000 1.197 43 H CB 0.040 29.916 29.762 0.188 0.000 1.438 43 H HN 0.206 nan 8.280 nan 0.000 0.531 44 L N 0.112 121.309 121.223 -0.043 0.000 2.010 44 L HA -0.240 4.100 4.340 -0.000 0.000 0.219 44 L C 0.787 177.515 176.870 -0.237 0.000 1.077 44 L CA 1.805 56.410 54.840 -0.391 0.000 0.773 44 L CB -0.302 41.164 42.059 -0.989 0.000 0.892 44 L HN 0.430 nan 8.230 nan 0.000 0.436 45 W N -0.408 121.000 121.300 0.180 0.000 2.862 45 W HA 0.362 5.021 4.660 -0.000 0.000 0.376 45 W C 0.766 177.528 176.519 0.405 0.000 1.028 45 W CA -0.757 56.728 57.345 0.233 0.000 1.757 45 W CB -0.605 28.967 29.460 0.187 0.000 1.128 45 W HN 0.068 nan 8.180 nan 0.000 0.566 46 R N 3.267 124.104 120.500 0.561 0.000 2.442 46 R HA 0.116 4.456 4.340 -0.000 0.000 0.291 46 R C -2.030 174.415 176.300 0.243 0.000 1.069 46 R CA -0.995 55.282 56.100 0.296 0.000 1.022 46 R CB 0.751 31.037 30.300 -0.024 0.000 0.976 46 R HN -0.266 nan 8.270 nan 0.000 0.443 47 P HA 0.088 nan 4.420 nan 0.000 0.276 47 P C -0.931 176.496 177.300 0.212 0.000 1.252 47 P CA -0.154 63.066 63.100 0.200 0.000 0.802 47 P CB 0.977 32.692 31.700 0.023 0.000 1.035 48 R N 0.522 121.180 120.500 0.263 0.000 2.369 48 R HA 0.427 4.767 4.340 -0.000 0.000 0.210 48 R C 1.200 177.500 176.300 -0.001 0.000 0.881 48 R CA 0.180 56.333 56.100 0.088 0.000 1.031 48 R CB -0.229 29.999 30.300 -0.121 0.000 1.184 48 R HN 0.314 nan 8.270 nan 0.000 0.581 49 A N 0.564 123.395 122.820 0.020 0.000 2.535 49 A HA 0.340 4.660 4.320 -0.000 0.000 0.273 49 A C -0.827 176.701 177.584 -0.093 0.000 1.267 49 A CA -0.422 51.458 52.037 -0.262 0.000 0.940 49 A CB -0.203 18.572 19.000 -0.374 0.000 1.101 49 A HN 0.288 nan 8.150 nan 0.000 0.521 50 H N -1.237 117.857 119.070 0.041 0.000 2.651 50 H HA 0.578 5.134 4.556 -0.000 0.000 0.353 50 H C -0.371 175.074 175.328 0.195 0.000 1.178 50 H CA -0.628 55.470 56.048 0.083 0.000 1.224 50 H CB 1.229 31.016 29.762 0.042 0.000 1.702 50 H HN 0.175 nan 8.280 nan 0.000 0.550 51 I N 3.903 124.608 120.570 0.225 0.000 2.363 51 I HA 0.148 4.318 4.170 -0.000 0.000 0.292 51 I C -1.060 175.081 176.117 0.039 0.000 1.075 51 I CA -0.231 61.189 61.300 0.201 0.000 1.333 51 I CB -0.268 37.700 38.000 -0.054 0.000 1.415 51 I HN 0.181 nan 8.210 nan 0.000 0.502 52 L N 6.579 127.761 121.223 -0.067 0.000 2.622 52 L HA 0.704 5.044 4.340 -0.000 0.000 0.258 52 L C -2.958 173.558 176.870 -0.590 0.000 0.996 52 L CA -2.475 52.128 54.840 -0.394 0.000 0.858 52 L CB 0.415 42.307 42.059 -0.279 0.000 1.449 52 L HN 0.139 nan 8.230 nan 0.000 0.411 53 P HA 0.148 nan 4.420 nan 0.000 0.272 53 P C 0.538 177.596 177.300 -0.404 0.000 1.240 53 P CA 0.186 63.009 63.100 -0.461 0.000 0.791 53 P CB 0.748 32.149 31.700 -0.498 0.000 0.978 54 A N 0.978 123.597 122.820 -0.334 0.000 2.032 54 A HA -0.138 4.182 4.320 -0.000 0.000 0.221 54 A C 1.038 178.638 177.584 0.027 0.000 1.165 54 A CA 1.586 53.504 52.037 -0.198 0.000 0.645 54 A CB -0.601 18.324 19.000 -0.125 0.000 0.807 54 A HN 0.774 nan 8.150 nan 0.000 0.453 55 E N -4.012 116.249 120.200 0.102 0.000 2.435 55 E HA 0.452 4.802 4.350 -0.000 0.000 0.277 55 E C 0.139 176.948 176.600 0.347 0.000 1.106 55 E CA -0.309 56.273 56.400 0.303 0.000 0.868 55 E CB -0.079 29.842 29.700 0.368 0.000 1.454 55 E HN 1.570 nan 8.360 nan 0.000 0.452 56 G N 0.669 109.695 108.800 0.377 0.000 2.741 56 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.222 56 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.222 56 G C -0.570 174.538 174.900 0.345 0.000 1.364 56 G CA 0.371 45.663 45.100 0.319 0.000 0.866 56 G HN 0.998 nan 8.290 nan 0.000 0.555 57 Q N -0.904 119.052 119.800 0.261 0.000 2.214 57 Q HA 0.792 5.132 4.340 -0.000 0.000 0.251 57 Q C -0.086 176.136 176.000 0.370 0.000 0.936 57 Q CA -0.816 55.153 55.803 0.277 0.000 0.894 57 Q CB 1.831 30.683 28.738 0.191 0.000 1.252 57 Q HN 1.401 nan 8.270 nan 0.000 0.448 58 I N 2.064 122.829 120.570 0.325 0.000 2.465 58 I HA 0.766 4.936 4.170 -0.000 0.000 0.291 58 I C -0.311 175.940 176.117 0.223 0.000 1.014 58 I CA -0.738 60.710 61.300 0.246 0.000 1.093 58 I CB 1.605 39.593 38.000 -0.020 0.000 1.267 58 I HN 0.885 nan 8.210 nan 0.000 0.431 59 G N 4.741 113.521 108.800 -0.034 0.000 2.940 59 G HA2 0.246 4.206 3.960 -0.000 0.000 0.164 59 G HA3 0.246 4.206 3.960 -0.000 0.000 0.164 59 G C -0.900 173.383 174.900 -1.028 0.000 1.326 59 G CA -0.471 44.268 45.100 -0.601 0.000 1.020 59 G HN 0.568 nan 8.290 nan 0.000 0.586 60 D N 1.965 121.821 120.400 -0.905 0.000 2.472 60 D HA 0.236 4.876 4.640 -0.000 0.000 0.237 60 D C -2.007 174.202 176.300 -0.152 0.000 1.141 60 D CA -0.444 53.251 54.000 -0.507 0.000 0.875 60 D CB 0.908 41.549 40.800 -0.265 0.000 1.192 60 D HN 0.024 nan 8.370 nan 0.000 0.450 61 P HA 0.159 nan 4.420 nan 0.000 0.281 61 P C -0.464 176.825 177.300 -0.018 0.000 1.252 61 P CA -0.500 62.673 63.100 0.121 0.000 0.778 61 P CB 0.565 32.446 31.700 0.302 0.000 0.895 62 C N -0.334 118.834 119.300 -0.220 0.000 3.318 62 C HA 0.864 5.324 4.460 -0.000 0.000 0.322 62 C C 0.625 175.303 174.990 -0.519 0.000 1.398 62 C CA -0.163 58.664 59.018 -0.318 0.000 1.339 62 C CB 0.749 28.410 27.740 -0.132 0.000 1.668 62 C HN 0.752 nan 8.230 nan 0.000 0.462 63 A N 0.330 122.917 122.820 -0.389 0.000 2.925 63 A HA -0.093 4.227 4.320 -0.000 0.000 0.265 63 A C 0.036 177.513 177.584 -0.178 0.000 1.419 63 A CA 1.140 52.999 52.037 -0.298 0.000 0.807 63 A CB -2.839 15.964 19.000 -0.328 0.000 1.043 63 A HN 1.310 nan 8.150 nan 0.000 0.600 64 H N -0.606 118.452 119.070 -0.020 0.000 2.652 64 H HA 0.549 5.105 4.556 -0.000 0.000 0.349 64 H C 0.077 175.401 175.328 -0.006 0.000 1.099 64 H CA 1.156 57.120 56.048 -0.140 0.000 1.417 64 H CB 0.238 29.952 29.762 -0.080 0.000 1.457 64 H HN 0.911 nan 8.280 nan 0.000 0.568 65 Y N -1.898 118.279 120.300 -0.205 0.000 2.521 65 Y HA 0.305 4.855 4.550 -0.000 0.000 0.328 65 Y C -1.108 174.767 175.900 -0.043 0.000 1.151 65 Y CA -1.003 57.056 58.100 -0.068 0.000 1.054 65 Y CB 0.670 39.084 38.460 -0.077 0.000 1.338 65 Y HN 0.343 nan 8.280 nan 0.000 0.453 66 T N 3.811 118.514 114.554 0.248 0.000 2.794 66 T HA 0.088 4.438 4.350 -0.000 0.000 0.304 66 T C -0.665 174.161 174.700 0.211 0.000 0.973 66 T CA -0.107 62.167 62.100 0.290 0.000 0.972 66 T CB -0.167 68.938 68.868 0.395 0.000 0.952 66 T HN 0.660 nan 8.240 nan 0.000 0.509 67 D N 4.949 125.411 120.400 0.103 0.000 2.451 67 D HA 0.064 4.704 4.640 -0.000 0.000 0.254 67 D C -1.374 175.014 176.300 0.146 0.000 1.204 67 D CA -1.940 52.135 54.000 0.125 0.000 0.896 67 D CB 1.275 42.124 40.800 0.082 0.000 1.136 67 D HN 0.148 nan 8.370 nan 0.000 0.499 68 P HA -0.190 nan 4.420 nan 0.000 0.215 68 P C 1.437 178.791 177.300 0.091 0.000 1.157 68 P CA 1.208 64.379 63.100 0.119 0.000 0.874 68 P CB 0.149 31.915 31.700 0.110 0.000 0.790 69 S N -1.236 114.512 115.700 0.080 0.000 2.348 69 S HA -0.143 4.327 4.470 -0.000 0.000 0.221 69 S C 1.938 176.575 174.600 0.062 0.000 1.033 69 S CA 2.381 60.618 58.200 0.062 0.000 1.010 69 S CB -1.321 61.910 63.200 0.051 0.000 0.891 69 S HN 0.326 nan 8.310 nan 0.000 0.442 70 T N -3.334 111.266 114.554 0.077 0.000 3.037 70 T HA 0.427 4.777 4.350 -0.000 0.000 0.251 70 T C 1.632 176.376 174.700 0.073 0.000 1.079 70 T CA 1.025 63.167 62.100 0.070 0.000 1.067 70 T CB -0.057 68.859 68.868 0.080 0.000 0.948 70 T HN 1.034 nan 8.240 nan 0.000 0.496 71 G N 1.530 110.386 108.800 0.093 0.000 2.189 71 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.267 71 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.267 71 G C 0.046 175.014 174.900 0.115 0.000 0.975 71 G CA 0.419 45.578 45.100 0.097 0.000 0.644 71 G HN 0.648 nan 8.290 nan 0.000 0.537 72 L N -0.381 120.913 121.223 0.118 0.000 2.452 72 L HA 0.569 4.909 4.340 -0.000 0.000 0.267 72 L C 0.577 177.578 176.870 0.217 0.000 1.188 72 L CA -0.795 54.113 54.840 0.113 0.000 0.821 72 L CB 0.520 42.598 42.059 0.032 0.000 1.102 72 L HN 0.104 nan 8.230 nan 0.000 0.470 73 F N 2.095 122.058 119.950 0.021 0.000 2.404 73 F HA 0.325 4.852 4.527 0.000 0.000 0.354 73 F C 0.231 176.042 175.800 0.018 0.000 1.122 73 F CA -0.380 57.652 58.000 0.052 0.000 1.080 73 F CB 0.300 39.335 39.000 0.059 0.000 1.131 73 F HN 0.316 nan 8.300 nan 0.000 0.471 74 H N 5.207 123.825 119.070 -0.753 0.000 2.473 74 H HA 0.524 5.080 4.556 -0.000 0.000 0.327 74 H C -0.710 174.222 175.328 -0.660 0.000 1.105 74 H CA -0.868 54.801 56.048 -0.632 0.000 1.280 74 H CB 1.933 31.181 29.762 -0.856 0.000 1.450 74 H HN 0.319 nan 8.280 nan 0.000 0.492 75 V N 2.120 121.905 119.914 -0.214 0.000 2.715 75 V HA 0.564 4.684 4.120 -0.000 0.000 0.310 75 V C 0.520 176.601 176.094 -0.021 0.000 1.054 75 V CA -0.667 61.573 62.300 -0.101 0.000 0.928 75 V CB 1.975 33.681 31.823 -0.194 0.000 1.007 75 V HN 0.964 nan 8.190 nan 0.000 0.437 76 G N 2.328 111.147 108.800 0.032 0.000 2.642 76 G HA2 0.895 4.855 3.960 -0.000 0.000 0.293 76 G HA3 0.895 4.855 3.960 -0.000 0.000 0.293 76 G C -1.546 173.301 174.900 -0.089 0.000 1.341 76 G CA -0.588 44.383 45.100 -0.214 0.000 0.916 76 G HN 0.924 nan 8.290 nan 0.000 0.474 77 F N -1.241 118.648 119.950 -0.102 0.000 2.708 77 F HA 0.550 5.077 4.527 -0.000 0.000 0.309 77 F C -1.040 174.726 175.800 -0.057 0.000 1.120 77 F CA -1.660 56.284 58.000 -0.093 0.000 0.978 77 F CB 0.686 39.643 39.000 -0.071 0.000 1.283 77 F HN 0.465 nan 8.300 nan 0.000 0.439 78 L N 2.914 124.237 121.223 0.168 0.000 2.456 78 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 78 L C -0.618 176.463 176.870 0.352 0.000 1.189 78 L CA 0.126 55.064 54.840 0.163 0.000 0.846 78 L CB 0.329 42.415 42.059 0.044 0.000 1.111 78 L HN 0.818 nan 8.230 nan 0.000 0.475 79 H N 2.659 121.868 119.070 0.233 0.000 2.934 79 H HA 0.188 4.744 4.556 -0.000 0.000 0.340 79 H C -0.444 175.078 175.328 0.323 0.000 1.008 79 H CA -0.847 55.347 56.048 0.242 0.000 1.317 79 H CB 0.979 30.761 29.762 0.032 0.000 1.670 79 H HN 0.637 nan 8.280 nan 0.000 0.516 80 D N 3.847 124.244 120.400 -0.005 0.000 2.983 80 D HA -0.182 4.458 4.640 -0.000 0.000 0.225 80 D C 1.121 177.473 176.300 0.087 0.000 1.174 80 D CA 1.777 55.769 54.000 -0.014 0.000 0.831 80 D CB -1.323 39.400 40.800 -0.127 0.000 1.104 80 D HN 1.145 nan 8.370 nan 0.000 0.421 81 G N 0.726 109.606 108.800 0.134 0.000 2.233 81 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.270 81 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.270 81 G C 0.338 175.311 174.900 0.123 0.000 1.011 81 G CA 0.792 45.974 45.100 0.137 0.000 0.762 81 G HN 0.517 nan 8.290 nan 0.000 0.511 82 D N -0.471 120.003 120.400 0.124 0.000 2.696 82 D HA 0.506 5.146 4.640 -0.000 0.000 0.269 82 D C 0.997 177.247 176.300 -0.084 0.000 1.319 82 D CA 1.375 55.361 54.000 -0.023 0.000 0.826 82 D CB -0.168 40.547 40.800 -0.141 0.000 1.086 82 D HN 1.381 nan 8.370 nan 0.000 0.481 83 G N -0.107 108.783 108.800 0.150 0.000 2.353 83 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.615 83 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.615 83 G C -0.930 174.179 174.900 0.348 0.000 1.280 83 G CA -0.808 44.399 45.100 0.179 0.000 1.000 83 G HN 0.125 nan 8.290 nan 0.000 0.516 84 I N 1.321 122.006 120.570 0.191 0.000 2.353 84 I HA 0.590 4.760 4.170 -0.000 0.000 0.293 84 I C 0.904 177.008 176.117 -0.021 0.000 0.992 84 I CA -0.332 60.983 61.300 0.025 0.000 1.268 84 I CB 1.401 39.322 38.000 -0.132 0.000 1.387 84 I HN 0.946 nan 8.210 nan 0.000 0.478 85 A N 4.545 127.137 122.820 -0.381 0.000 2.322 85 A HA 0.958 5.278 4.320 -0.000 0.000 0.327 85 A C -0.059 177.064 177.584 -0.768 0.000 1.134 85 A CA -0.442 51.216 52.037 -0.631 0.000 0.831 85 A CB 1.518 19.953 19.000 -0.942 0.000 1.288 85 A HN 0.808 nan 8.150 nan 0.000 0.472 86 G N -1.694 106.805 108.800 -0.502 0.000 2.798 86 G HA2 0.866 4.826 3.960 -0.000 0.000 0.286 86 G HA3 0.866 4.826 3.960 -0.000 0.000 0.286 86 G C -0.809 174.007 174.900 -0.140 0.000 1.389 86 G CA -0.051 44.854 45.100 -0.325 0.000 0.894 86 G HN 1.973 nan 8.290 nan 0.000 0.488 87 A N -0.849 121.954 122.820 -0.028 0.000 2.601 87 A HA 0.937 5.257 4.320 -0.000 0.000 0.291 87 A C -0.376 177.195 177.584 -0.022 0.000 1.075 87 A CA 0.162 52.259 52.037 0.101 0.000 0.671 87 A CB 1.408 20.638 19.000 0.383 0.000 1.277 87 A HN 2.003 nan 8.150 nan 0.000 0.417 88 T N -1.821 112.713 114.554 -0.033 0.000 2.896 88 T HA 0.846 5.196 4.350 -0.000 0.000 0.297 88 T C -0.467 174.200 174.700 -0.054 0.000 1.108 88 T CA -0.184 61.813 62.100 -0.172 0.000 1.004 88 T CB 1.882 70.504 68.868 -0.411 0.000 1.159 88 T HN 1.723 nan 8.240 nan 0.000 0.499 89 T N -0.681 113.839 114.554 -0.056 0.000 2.900 89 T HA 0.689 5.039 4.350 -0.000 0.000 0.303 89 T C 0.340 174.992 174.700 -0.080 0.000 1.142 89 T CA 0.032 62.039 62.100 -0.156 0.000 1.007 89 T CB 1.372 70.050 68.868 -0.316 0.000 1.156 89 T HN 1.096 nan 8.240 nan 0.000 0.490 90 A N 2.476 125.222 122.820 -0.124 0.000 2.287 90 A HA 0.299 4.619 4.320 -0.000 0.000 0.214 90 A C 1.235 178.765 177.584 -0.091 0.000 1.228 90 A CA 0.559 52.552 52.037 -0.073 0.000 0.939 90 A CB -0.035 18.922 19.000 -0.071 0.000 0.992 90 A HN 0.815 nan 8.150 nan 0.000 0.502 91 N N -2.235 116.374 118.700 -0.151 0.000 2.145 91 N HA 0.179 4.919 4.740 -0.000 0.000 0.219 91 N C 0.393 175.792 175.510 -0.184 0.000 1.266 91 N CA 0.329 53.286 53.050 -0.155 0.000 0.902 91 N CB 0.601 38.989 38.487 -0.165 0.000 1.078 91 N HN 0.276 nan 8.380 nan 0.000 0.513 92 L N -1.685 119.400 121.223 -0.231 0.000 5.044 92 L HA -0.255 4.085 4.340 -0.000 0.000 0.412 92 L C 1.051 177.787 176.870 -0.224 0.000 0.971 92 L CA 0.900 55.625 54.840 -0.192 0.000 1.411 92 L CB -1.784 40.199 42.059 -0.126 0.000 1.884 92 L HN 0.380 nan 8.230 nan 0.000 0.631 93 A N -1.814 120.822 122.820 -0.306 0.000 1.942 93 A HA 0.498 4.818 4.320 -0.000 0.000 0.209 93 A C 0.939 178.412 177.584 -0.184 0.000 1.214 93 A CA 1.215 53.126 52.037 -0.210 0.000 0.686 93 A CB 0.005 18.820 19.000 -0.309 0.000 0.871 93 A HN 0.769 nan 8.150 nan 0.000 0.460 94 T N -2.962 111.307 114.554 -0.474 0.000 2.887 94 T HA 0.716 5.066 4.350 -0.000 0.000 0.288 94 T C -0.918 173.241 174.700 -0.900 0.000 1.021 94 T CA -0.571 61.250 62.100 -0.466 0.000 1.000 94 T CB 1.337 70.082 68.868 -0.205 0.000 1.034 94 T HN 0.160 nan 8.240 nan 0.000 0.467 95 Y N -0.278 119.700 120.300 -0.537 0.000 2.602 95 Y HA 0.702 5.252 4.550 -0.000 0.000 0.342 95 Y C 0.389 176.087 175.900 -0.338 0.000 1.029 95 Y CA -0.975 56.757 58.100 -0.614 0.000 1.080 95 Y CB 2.741 40.448 38.460 -1.256 0.000 1.284 95 Y HN 0.758 nan 8.280 nan 0.000 0.485 96 T N 1.387 115.989 114.554 0.080 0.000 2.921 96 T HA 0.224 4.574 4.350 -0.000 0.000 0.297 96 T C -1.380 173.507 174.700 0.312 0.000 1.013 96 T CA -1.033 61.202 62.100 0.225 0.000 0.990 96 T CB 1.029 69.944 68.868 0.078 0.000 1.023 96 T HN 0.408 nan 8.240 nan 0.000 0.447 97 D N 2.403 123.023 120.400 0.367 0.000 2.414 97 D HA 0.067 4.707 4.640 -0.000 0.000 0.242 97 D C 1.590 177.945 176.300 0.092 0.000 1.129 97 D CA 0.253 54.381 54.000 0.214 0.000 0.885 97 D CB 1.595 42.456 40.800 0.101 0.000 1.198 97 D HN 0.696 nan 8.370 nan 0.000 0.437 98 T N -0.934 113.644 114.554 0.039 0.000 2.833 98 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 98 T C 0.996 175.709 174.700 0.022 0.000 1.054 98 T CA 0.756 62.865 62.100 0.015 0.000 1.135 98 T CB 0.044 68.918 68.868 0.011 0.000 0.869 98 T HN 0.481 nan 8.240 nan 0.000 0.466 99 S N 0.664 116.375 115.700 0.019 0.000 2.611 99 S HA 0.496 4.966 4.470 -0.000 0.000 0.268 99 S C -1.645 172.968 174.600 0.022 0.000 1.156 99 S CA -0.852 57.364 58.200 0.027 0.000 0.817 99 S CB 1.518 64.741 63.200 0.038 0.000 1.122 99 S HN 0.452 nan 8.310 nan 0.000 0.466 100 D N 0.147 120.567 120.400 0.032 0.000 2.425 100 D HA 0.445 5.085 4.640 -0.000 0.000 0.274 100 D C 0.322 176.658 176.300 0.060 0.000 1.242 100 D CA -0.279 53.740 54.000 0.033 0.000 1.060 100 D CB -0.283 40.537 40.800 0.033 0.000 1.112 100 D HN 0.860 nan 8.370 nan 0.000 0.561 101 N N -1.668 117.075 118.700 0.072 0.000 2.721 101 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 101 N C 0.821 176.447 175.510 0.193 0.000 1.072 101 N CA 1.789 54.910 53.050 0.119 0.000 0.710 101 N CB -1.162 37.393 38.487 0.114 0.000 0.993 101 N HN 1.093 nan 8.380 nan 0.000 0.547 102 G N -1.803 107.071 108.800 0.124 0.000 2.259 102 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 102 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 102 G C 0.481 175.230 174.900 -0.253 0.000 1.001 102 G CA 0.759 45.890 45.100 0.052 0.000 0.627 102 G HN 1.619 nan 8.290 nan 0.000 0.501 103 S N -1.005 114.645 115.700 -0.084 0.000 3.641 103 S HA -0.212 4.258 4.470 -0.000 0.000 0.346 103 S C 0.454 174.954 174.600 -0.166 0.000 1.074 103 S CA 0.994 59.127 58.200 -0.111 0.000 1.026 103 S CB -1.811 61.294 63.200 -0.157 0.000 0.908 103 S HN 1.280 nan 8.310 nan 0.000 0.479 104 F N 0.727 120.684 119.950 0.013 0.000 2.471 104 F HA 0.308 4.835 4.527 -0.000 0.000 0.353 104 F C 1.552 177.347 175.800 -0.008 0.000 1.113 104 F CA 0.158 58.156 58.000 -0.004 0.000 1.262 104 F CB 0.529 39.541 39.000 0.021 0.000 1.146 104 F HN 0.159 nan 8.300 nan 0.000 0.578 105 L N 3.073 124.413 121.223 0.195 0.000 2.316 105 L HA 0.365 4.705 4.340 -0.000 0.000 0.207 105 L C 0.187 177.144 176.870 0.145 0.000 1.070 105 L CA 0.402 55.348 54.840 0.176 0.000 0.820 105 L CB 0.388 42.566 42.059 0.200 0.000 0.992 105 L HN 0.513 nan 8.230 nan 0.000 0.466 106 I N -0.633 119.985 120.570 0.079 0.000 2.787 106 I HA 0.259 4.429 4.170 -0.000 0.000 0.294 106 I C -1.782 174.290 176.117 -0.075 0.000 1.365 106 I CA -0.346 60.928 61.300 -0.044 0.000 1.029 106 I CB 2.195 40.069 38.000 -0.210 0.000 1.313 106 I HN 0.041 nan 8.210 nan 0.000 0.431 107 Q N 7.251 126.975 119.800 -0.126 0.000 2.456 107 Q HA 0.565 4.905 4.340 -0.000 0.000 0.283 107 Q C -2.638 173.289 176.000 -0.121 0.000 1.084 107 Q CA -1.843 53.854 55.803 -0.177 0.000 0.801 107 Q CB 2.428 30.971 28.738 -0.324 0.000 1.434 107 Q HN 0.394 nan 8.270 nan 0.000 0.419 108 P HA 0.063 nan 4.420 nan 0.000 0.274 108 P C 0.240 177.495 177.300 -0.075 0.000 1.260 108 P CA 0.507 63.567 63.100 -0.068 0.000 0.793 108 P CB 0.558 32.219 31.700 -0.066 0.000 1.048 109 G N -1.803 106.959 108.800 -0.064 0.000 2.205 109 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.180 109 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.180 109 G C 0.458 175.329 174.900 -0.048 0.000 1.004 109 G CA -0.088 44.974 45.100 -0.063 0.000 0.670 109 G HN 0.870 nan 8.290 nan 0.000 0.496 110 G N -0.271 108.508 108.800 -0.034 0.000 2.563 110 G HA2 0.508 4.468 3.960 -0.000 0.000 0.283 110 G HA3 0.508 4.468 3.960 -0.000 0.000 0.283 110 G C 0.879 175.759 174.900 -0.034 0.000 1.309 110 G CA 0.307 45.394 45.100 -0.021 0.000 1.022 110 G HN 0.256 nan 8.290 nan 0.000 0.501 111 K N -0.483 119.900 120.400 -0.028 0.000 2.155 111 K HA -0.038 4.282 4.320 -0.000 0.000 0.203 111 K C 1.916 178.488 176.600 -0.048 0.000 1.052 111 K CA 0.977 57.242 56.287 -0.037 0.000 0.948 111 K CB 0.080 32.565 32.500 -0.025 0.000 0.728 111 K HN 0.278 nan 8.250 nan 0.000 0.448 112 N N 1.325 120.000 118.700 -0.041 0.000 2.415 112 N HA -0.072 4.668 4.740 -0.000 0.000 0.176 112 N C -0.345 175.115 175.510 -0.082 0.000 1.042 112 N CA 0.958 53.971 53.050 -0.062 0.000 0.902 112 N CB 0.257 38.699 38.487 -0.074 0.000 0.986 112 N HN 0.284 nan 8.380 nan 0.000 0.447 113 D N -0.879 119.486 120.400 -0.058 0.000 2.739 113 D HA 0.162 4.802 4.640 -0.000 0.000 0.335 113 D C -2.140 174.104 176.300 -0.093 0.000 1.216 113 D CA -1.560 52.398 54.000 -0.071 0.000 0.808 113 D CB 1.070 41.888 40.800 0.029 0.000 1.121 113 D HN 0.038 nan 8.370 nan 0.000 0.499 114 P HA -0.105 nan 4.420 nan 0.000 0.221 114 P C 1.105 178.320 177.300 -0.142 0.000 1.150 114 P CA 0.334 63.354 63.100 -0.134 0.000 0.800 114 P CB 0.700 32.302 31.700 -0.164 0.000 0.787 115 V N -0.835 118.974 119.914 -0.176 0.000 2.581 115 V HA 0.375 4.495 4.120 -0.000 0.000 0.240 115 V C 1.290 177.313 176.094 -0.118 0.000 1.054 115 V CA 1.342 63.550 62.300 -0.152 0.000 1.076 115 V CB -0.385 31.325 31.823 -0.188 0.000 0.748 115 V HN 0.204 nan 8.190 nan 0.000 0.474 116 A N -1.037 121.685 122.820 -0.163 0.000 2.586 116 A HA 0.710 5.030 4.320 -0.000 0.000 0.290 116 A C -1.773 175.727 177.584 -0.139 0.000 1.086 116 A CA -0.328 51.632 52.037 -0.128 0.000 0.665 116 A CB 1.736 20.674 19.000 -0.103 0.000 1.279 116 A HN -0.051 nan 8.150 nan 0.000 0.423 117 V N 1.903 121.825 119.914 0.014 0.000 2.376 117 V HA 0.551 4.671 4.120 -0.000 0.000 0.287 117 V C -0.898 175.401 176.094 0.342 0.000 1.015 117 V CA -0.341 62.038 62.300 0.132 0.000 0.834 117 V CB 0.758 32.610 31.823 0.049 0.000 1.001 117 V HN 0.690 nan 8.190 nan 0.000 0.428 118 F N 1.273 121.308 119.950 0.141 0.000 2.362 118 F HA 0.506 5.033 4.527 -0.000 0.000 0.340 118 F C 0.955 176.804 175.800 0.080 0.000 1.088 118 F CA -1.779 56.278 58.000 0.095 0.000 1.096 118 F CB 0.435 39.490 39.000 0.091 0.000 1.486 118 F HN 0.480 nan 8.300 nan 0.000 0.500 119 D N -0.481 120.048 120.400 0.215 0.000 2.429 119 D HA 0.383 5.023 4.640 -0.000 0.000 0.233 119 D C 0.319 176.680 176.300 0.102 0.000 1.202 119 D CA 0.892 54.948 54.000 0.093 0.000 0.879 119 D CB 0.234 41.068 40.800 0.057 0.000 1.212 119 D HN 0.725 nan 8.370 nan 0.000 0.465 120 G N -1.777 107.035 108.800 0.021 0.000 2.576 120 G HA2 0.683 4.643 3.960 -0.000 0.000 0.290 120 G HA3 0.683 4.643 3.960 -0.000 0.000 0.290 120 G C -1.896 172.948 174.900 -0.094 0.000 1.442 120 G CA -0.310 44.784 45.100 -0.009 0.000 0.792 120 G HN 0.632 nan 8.290 nan 0.000 0.491 121 A N -0.825 121.909 122.820 -0.144 0.000 2.469 121 A HA 0.887 5.207 4.320 -0.000 0.000 0.299 121 A C -1.122 176.291 177.584 -0.284 0.000 1.098 121 A CA -0.644 51.271 52.037 -0.204 0.000 0.737 121 A CB 1.983 20.837 19.000 -0.244 0.000 1.312 121 A HN 1.422 nan 8.150 nan 0.000 0.414 122 V N 1.447 121.192 119.914 -0.282 0.000 2.513 122 V HA 0.409 4.529 4.120 -0.000 0.000 0.299 122 V C -0.426 175.437 176.094 -0.386 0.000 1.035 122 V CA -0.269 61.821 62.300 -0.350 0.000 0.889 122 V CB 1.589 33.173 31.823 -0.398 0.000 0.988 122 V HN 0.694 nan 8.190 nan 0.000 0.440 123 I N 6.725 126.997 120.570 -0.496 0.000 2.307 123 I HA 0.257 4.427 4.170 -0.000 0.000 0.289 123 I C -1.514 174.396 176.117 -0.344 0.000 1.021 123 I CA -1.749 59.155 61.300 -0.660 0.000 1.224 123 I CB 2.063 39.560 38.000 -0.838 0.000 1.376 123 I HN 0.483 nan 8.210 nan 0.000 0.470 124 P HA -0.153 nan 4.420 nan 0.000 0.215 124 P C 0.180 177.468 177.300 -0.021 0.000 1.157 124 P CA 1.195 64.292 63.100 -0.005 0.000 0.874 124 P CB 0.151 31.958 31.700 0.177 0.000 0.790 125 V N -0.749 119.198 119.914 0.056 0.000 2.239 125 V HA 0.524 4.644 4.120 -0.000 0.000 0.267 125 V C 0.857 176.964 176.094 0.023 0.000 1.056 125 V CA -0.003 62.333 62.300 0.059 0.000 0.830 125 V CB 0.360 32.275 31.823 0.153 0.000 1.090 125 V HN 0.118 nan 8.190 nan 0.000 0.459 126 G N 2.830 111.504 108.800 -0.211 0.000 3.414 126 G HA2 0.472 4.432 3.960 -0.000 0.000 0.189 126 G HA3 0.472 4.432 3.960 -0.000 0.000 0.189 126 G C -0.035 174.449 174.900 -0.693 0.000 1.329 126 G CA -0.446 44.270 45.100 -0.639 0.000 0.851 126 G HN 0.326 nan 8.290 nan 0.000 0.671 127 V N 1.971 121.433 119.914 -0.753 0.000 2.673 127 V HA 0.115 4.235 4.120 -0.000 0.000 0.303 127 V C 0.512 176.486 176.094 -0.201 0.000 1.046 127 V CA 0.391 62.447 62.300 -0.407 0.000 1.126 127 V CB 0.807 32.452 31.823 -0.296 0.000 0.934 127 V HN 0.708 nan 8.190 nan 0.000 0.487 128 N N 3.420 122.062 118.700 -0.096 0.000 2.708 128 N HA -0.217 4.523 4.740 -0.000 0.000 0.251 128 N C 0.556 176.033 175.510 -0.054 0.000 1.123 128 N CA 1.127 54.142 53.050 -0.058 0.000 0.739 128 N CB -1.341 37.106 38.487 -0.067 0.000 1.113 128 N HN 0.883 nan 8.380 nan 0.000 0.561 129 N N -2.799 115.871 118.700 -0.050 0.000 2.753 129 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 129 N C 0.027 175.506 175.510 -0.051 0.000 1.097 129 N CA 1.766 54.803 53.050 -0.021 0.000 0.786 129 N CB -1.661 36.833 38.487 0.012 0.000 1.137 129 N HN 0.816 nan 8.380 nan 0.000 0.566 130 T N -3.609 110.880 114.554 -0.109 0.000 2.949 130 T HA 0.615 4.965 4.350 -0.000 0.000 0.287 130 T C -3.010 171.575 174.700 -0.193 0.000 1.034 130 T CA -2.038 59.985 62.100 -0.128 0.000 1.018 130 T CB 2.871 71.654 68.868 -0.142 0.000 1.135 130 T HN -0.291 nan 8.240 nan 0.000 0.532 131 P HA 0.220 nan 4.420 nan 0.000 0.262 131 P C -0.698 176.439 177.300 -0.272 0.000 1.199 131 P CA 0.216 63.092 63.100 -0.374 0.000 0.763 131 P CB 0.150 31.448 31.700 -0.670 0.000 0.790 132 T N 4.633 119.018 114.554 -0.282 0.000 2.809 132 T HA 0.403 4.753 4.350 -0.000 0.000 0.284 132 T C -0.418 174.142 174.700 -0.233 0.000 0.992 132 T CA -0.483 61.493 62.100 -0.206 0.000 0.957 132 T CB 0.598 69.256 68.868 -0.350 0.000 0.942 132 T HN 0.120 nan 8.240 nan 0.000 0.439 133 L N 4.666 125.788 121.223 -0.168 0.000 2.276 133 L HA 0.659 4.999 4.340 -0.000 0.000 0.286 133 L C -0.998 175.785 176.870 -0.146 0.000 1.061 133 L CA -0.696 53.945 54.840 -0.330 0.000 0.807 133 L CB 0.653 42.296 42.059 -0.694 0.000 1.177 133 L HN 0.525 nan 8.230 nan 0.000 0.429 134 L N 7.660 128.775 121.223 -0.180 0.000 2.294 134 L HA 0.549 4.889 4.340 -0.000 0.000 0.283 134 L C -1.124 175.692 176.870 -0.089 0.000 1.015 134 L CA -0.243 54.488 54.840 -0.182 0.000 0.831 134 L CB 0.658 42.521 42.059 -0.327 0.000 1.217 134 L HN 0.667 nan 8.230 nan 0.000 0.420 135 Y N 0.800 120.971 120.300 -0.215 0.000 2.609 135 Y HA 0.739 5.289 4.550 -0.000 0.000 0.342 135 Y C -0.454 175.375 175.900 -0.120 0.000 1.058 135 Y CA -1.122 56.884 58.100 -0.158 0.000 1.055 135 Y CB 1.011 39.379 38.460 -0.153 0.000 1.292 135 Y HN 0.373 nan 8.280 nan 0.000 0.476 136 T N 2.906 117.424 114.554 -0.059 0.000 2.737 136 T HA 0.316 4.666 4.350 -0.000 0.000 0.296 136 T C -0.365 174.247 174.700 -0.147 0.000 0.922 136 T CA -0.468 61.559 62.100 -0.121 0.000 1.079 136 T CB -0.178 68.743 68.868 0.088 0.000 0.892 136 T HN 0.669 nan 8.240 nan 0.000 0.514 137 S N 2.739 118.235 115.700 -0.341 0.000 2.457 137 S HA 0.572 5.042 4.470 -0.000 0.000 0.289 137 S C -0.092 174.383 174.600 -0.209 0.000 1.163 137 S CA -0.931 57.123 58.200 -0.242 0.000 1.078 137 S CB 0.967 63.977 63.200 -0.315 0.000 0.987 137 S HN 0.411 nan 8.310 nan 0.000 0.482 138 V N 3.240 122.990 119.914 -0.272 0.000 2.427 138 V HA 0.411 4.531 4.120 -0.000 0.000 0.286 138 V C 0.453 176.398 176.094 -0.248 0.000 1.034 138 V CA -0.465 61.639 62.300 -0.326 0.000 0.893 138 V CB 1.479 32.901 31.823 -0.667 0.000 0.982 138 V HN 1.055 nan 8.190 nan 0.000 0.452 139 S N 2.923 118.492 115.700 -0.218 0.000 2.559 139 S HA 0.456 4.926 4.470 -0.000 0.000 0.226 139 S C -0.308 173.783 174.600 -0.848 0.000 1.030 139 S CA 0.126 58.058 58.200 -0.447 0.000 0.956 139 S CB 0.252 63.216 63.200 -0.394 0.000 0.900 139 S HN 0.549 nan 8.310 nan 0.000 0.510 140 F N 0.729 120.621 119.950 -0.097 0.000 2.619 140 F HA 0.627 5.154 4.527 -0.000 0.000 0.308 140 F C -0.653 175.107 175.800 -0.068 0.000 1.097 140 F CA -0.879 57.072 58.000 -0.081 0.000 0.953 140 F CB 1.446 40.386 39.000 -0.098 0.000 1.287 140 F HN -0.162 nan 8.300 nan 0.000 0.446 141 L N 2.845 124.153 121.223 0.143 0.000 2.393 141 L HA 0.635 4.975 4.340 -0.000 0.000 0.260 141 L C -2.220 174.708 176.870 0.096 0.000 1.002 141 L CA -1.753 53.152 54.840 0.109 0.000 0.818 141 L CB 2.634 44.749 42.059 0.092 0.000 1.369 141 L HN 0.484 nan 8.230 nan 0.000 0.412 142 P HA 0.478 nan 4.420 nan 0.000 0.276 142 P C -1.266 176.102 177.300 0.113 0.000 1.252 142 P CA -0.338 62.822 63.100 0.100 0.000 0.802 142 P CB 1.568 33.310 31.700 0.069 0.000 1.035 143 I N 1.064 121.744 120.570 0.183 0.000 2.468 143 I HA 0.340 4.510 4.170 -0.000 0.000 0.285 143 I C -0.254 176.044 176.117 0.303 0.000 1.039 143 I CA -0.414 61.022 61.300 0.227 0.000 1.074 143 I CB 1.451 39.632 38.000 0.302 0.000 1.228 143 I HN 0.455 nan 8.210 nan 0.000 0.436 144 H N 6.225 125.389 119.070 0.157 0.000 3.079 144 H HA 0.114 4.670 4.556 -0.000 0.000 0.356 144 H C -0.261 175.117 175.328 0.083 0.000 1.221 144 H CA -0.727 55.355 56.048 0.057 0.000 1.185 144 H CB 2.190 31.877 29.762 -0.125 0.000 1.882 144 H HN 0.810 nan 8.280 nan 0.000 0.543 145 W N 3.052 124.139 121.300 -0.356 0.000 2.421 145 W HA -0.094 4.566 4.660 -0.000 0.000 0.270 145 W C 0.666 177.185 176.519 -0.000 0.000 1.233 145 W CA 1.096 58.328 57.345 -0.188 0.000 1.226 145 W CB -0.888 28.421 29.460 -0.252 0.000 1.121 145 W HN 0.394 nan 8.180 nan 0.000 0.579 146 S N 0.835 116.236 115.700 -0.497 0.000 2.593 146 S HA 0.194 4.664 4.470 -0.000 0.000 0.217 146 S C 0.682 175.259 174.600 -0.039 0.000 0.966 146 S CA 0.084 58.039 58.200 -0.407 0.000 0.914 146 S CB -1.053 61.571 63.200 -0.961 0.000 0.776 146 S HN 0.412 nan 8.310 nan 0.000 0.523 147 I N -3.451 117.187 120.570 0.113 0.000 3.174 147 I HA 0.688 4.858 4.170 -0.000 0.000 0.313 147 I C -3.275 172.941 176.117 0.164 0.000 1.155 147 I CA -3.315 58.043 61.300 0.095 0.000 0.977 147 I CB 1.004 39.025 38.000 0.036 0.000 1.248 147 I HN -0.293 nan 8.210 nan 0.000 0.453 148 P HA 0.041 nan 4.420 nan 0.000 0.266 148 P C -1.580 175.793 177.300 0.122 0.000 1.195 148 P CA 0.451 63.544 63.100 -0.012 0.000 0.768 148 P CB 0.078 31.748 31.700 -0.049 0.000 0.838 149 Y N 2.119 122.441 120.300 0.037 0.000 2.327 149 Y HA 0.218 4.768 4.550 -0.000 0.000 0.336 149 Y C 0.262 176.172 175.900 0.017 0.000 1.035 149 Y CA 0.078 58.235 58.100 0.095 0.000 1.165 149 Y CB 0.533 39.082 38.460 0.147 0.000 1.181 149 Y HN 0.227 nan 8.280 nan 0.000 0.494 150 T N 7.394 121.713 114.554 -0.391 0.000 2.761 150 T HA 0.166 4.516 4.350 -0.000 0.000 0.296 150 T C -0.109 174.373 174.700 -0.362 0.000 0.934 150 T CA -0.506 61.380 62.100 -0.357 0.000 1.091 150 T CB -0.016 68.608 68.868 -0.407 0.000 0.896 150 T HN 0.516 nan 8.240 nan 0.000 0.515 151 R N 2.477 122.885 120.500 -0.152 0.000 2.537 151 R HA 0.301 4.641 4.340 -0.000 0.000 0.281 151 R C 1.428 177.673 176.300 -0.092 0.000 0.988 151 R CA 1.465 57.562 56.100 -0.006 0.000 1.077 151 R CB -0.615 29.668 30.300 -0.029 0.000 0.932 151 R HN 0.942 nan 8.270 nan 0.000 0.409 152 G N 2.163 111.015 108.800 0.088 0.000 2.159 152 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.256 152 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.256 152 G C 0.955 176.010 174.900 0.259 0.000 0.977 152 G CA 0.591 45.779 45.100 0.147 0.000 0.652 152 G HN 0.607 nan 8.290 nan 0.000 0.531 153 S N 0.057 115.846 115.700 0.148 0.000 2.370 153 S HA 0.045 4.515 4.470 -0.000 0.000 0.226 153 S C 0.880 175.569 174.600 0.148 0.000 1.033 153 S CA 1.751 60.042 58.200 0.152 0.000 1.011 153 S CB -0.003 63.061 63.200 -0.228 0.000 0.852 153 S HN 0.785 nan 8.310 nan 0.000 0.457 154 E N 0.556 120.911 120.200 0.258 0.000 2.224 154 E HA 0.458 4.808 4.350 -0.000 0.000 0.265 154 E C -0.666 176.084 176.600 0.250 0.000 0.878 154 E CA -0.494 56.043 56.400 0.227 0.000 0.759 154 E CB 2.066 31.983 29.700 0.361 0.000 1.164 154 E HN 0.294 nan 8.360 nan 0.000 0.414 155 T N -0.144 114.455 114.554 0.074 0.000 2.901 155 T HA 0.432 4.782 4.350 -0.000 0.000 0.293 155 T C -0.700 173.919 174.700 -0.134 0.000 1.084 155 T CA -1.170 60.951 62.100 0.036 0.000 1.008 155 T CB 1.625 70.485 68.868 -0.013 0.000 1.170 155 T HN 0.143 nan 8.240 nan 0.000 0.509 156 Q N 1.271 120.959 119.800 -0.186 0.000 2.333 156 Q HA 0.658 4.998 4.340 -0.000 0.000 0.265 156 Q C -0.777 174.996 176.000 -0.379 0.000 0.989 156 Q CA -0.538 55.059 55.803 -0.344 0.000 0.842 156 Q CB 1.813 30.324 28.738 -0.380 0.000 1.262 156 Q HN 0.738 nan 8.270 nan 0.000 0.451 157 S N 1.711 117.067 115.700 -0.573 0.000 2.689 157 S HA 0.716 5.186 4.470 -0.000 0.000 0.306 157 S C -0.139 174.271 174.600 -0.316 0.000 1.104 157 S CA -0.711 57.215 58.200 -0.457 0.000 0.973 157 S CB 1.245 64.139 63.200 -0.510 0.000 1.121 157 S HN 0.417 nan 8.310 nan 0.000 0.523 158 L N 1.282 122.447 121.223 -0.096 0.000 2.334 158 L HA 0.877 5.217 4.340 -0.000 0.000 0.273 158 L C -0.193 176.747 176.870 0.116 0.000 1.013 158 L CA -0.641 54.204 54.840 0.007 0.000 0.816 158 L CB 1.626 43.674 42.059 -0.018 0.000 1.278 158 L HN 0.762 nan 8.230 nan 0.000 0.431 159 A N 2.245 125.137 122.820 0.120 0.000 2.549 159 A HA 0.809 5.129 4.320 -0.000 0.000 0.297 159 A C -1.365 176.316 177.584 0.161 0.000 1.061 159 A CA -0.471 51.650 52.037 0.140 0.000 0.690 159 A CB 1.977 21.063 19.000 0.144 0.000 1.287 159 A HN 0.332 nan 8.150 nan 0.000 0.402 160 V N 1.102 121.075 119.914 0.098 0.000 2.581 160 V HA 0.696 4.816 4.120 -0.000 0.000 0.303 160 V C 0.795 176.729 176.094 -0.267 0.000 1.041 160 V CA -0.299 61.982 62.300 -0.031 0.000 0.907 160 V CB 1.661 33.423 31.823 -0.100 0.000 0.994 160 V HN 1.412 nan 8.190 nan 0.000 0.442 161 A N 5.621 128.067 122.820 -0.623 0.000 2.440 161 A HA 0.679 4.999 4.320 -0.000 0.000 0.251 161 A C 0.083 177.367 177.584 -0.499 0.000 1.089 161 A CA -0.167 51.218 52.037 -1.086 0.000 0.779 161 A CB 0.158 18.521 19.000 -1.061 0.000 1.022 161 A HN 0.710 nan 8.150 nan 0.000 0.492 162 R N 1.287 121.540 120.500 -0.411 0.000 2.744 162 R HA 0.357 4.697 4.340 -0.000 0.000 0.279 162 R C -0.959 175.254 176.300 -0.146 0.000 0.977 162 R CA -0.534 55.441 56.100 -0.210 0.000 0.906 162 R CB 1.251 31.460 30.300 -0.151 0.000 1.197 162 R HN 0.937 nan 8.270 nan 0.000 0.463 163 D N 0.702 121.049 120.400 -0.089 0.000 2.737 163 D HA -0.175 4.465 4.640 -0.000 0.000 0.238 163 D C 0.860 177.147 176.300 -0.021 0.000 1.157 163 D CA 1.932 55.904 54.000 -0.045 0.000 0.694 163 D CB -0.929 39.851 40.800 -0.034 0.000 1.021 163 D HN 0.949 nan 8.370 nan 0.000 0.420 164 G N -0.190 108.602 108.800 -0.014 0.000 2.212 164 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.266 164 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.266 164 G C 1.496 176.461 174.900 0.109 0.000 0.978 164 G CA 0.915 46.042 45.100 0.045 0.000 0.632 164 G HN 1.886 nan 8.290 nan 0.000 0.537 165 G N -1.221 107.581 108.800 0.003 0.000 2.154 165 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.186 165 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.186 165 G C 0.692 175.646 174.900 0.091 0.000 1.000 165 G CA 0.914 46.021 45.100 0.012 0.000 0.664 165 G HN 0.898 nan 8.290 nan 0.000 0.513 166 R N -0.379 120.143 120.500 0.035 0.000 2.313 166 R HA 0.255 4.595 4.340 -0.000 0.000 0.199 166 R C 1.053 177.376 176.300 0.038 0.000 0.958 166 R CA 0.660 56.789 56.100 0.047 0.000 1.047 166 R CB 0.332 30.647 30.300 0.026 0.000 0.955 166 R HN 0.389 nan 8.270 nan 0.000 0.481 167 R N -0.184 120.300 120.500 -0.027 0.000 2.634 167 R HA 0.206 4.546 4.340 -0.000 0.000 0.263 167 R C -1.919 174.286 176.300 -0.158 0.000 1.060 167 R CA -0.545 55.552 56.100 -0.006 0.000 0.898 167 R CB 1.111 31.402 30.300 -0.014 0.000 1.253 167 R HN -0.101 nan 8.270 nan 0.000 0.461 168 F N 2.193 122.111 119.950 -0.054 0.000 2.427 168 F HA 0.326 4.853 4.527 -0.000 0.000 0.348 168 F C -0.359 175.387 175.800 -0.090 0.000 1.125 168 F CA -0.501 57.443 58.000 -0.093 0.000 0.989 168 F CB 1.721 40.634 39.000 -0.144 0.000 1.165 168 F HN 0.307 nan 8.300 nan 0.000 0.442 169 D N 4.357 124.771 120.400 0.023 0.000 2.249 169 D HA 0.182 4.822 4.640 -0.000 0.000 0.246 169 D C -0.168 176.157 176.300 0.042 0.000 1.114 169 D CA -0.401 53.607 54.000 0.013 0.000 0.854 169 D CB 1.221 42.005 40.800 -0.026 0.000 1.132 169 D HN 0.382 nan 8.370 nan 0.000 0.461 170 K N 1.534 121.961 120.400 0.045 0.000 2.382 170 K HA 0.207 4.527 4.320 -0.000 0.000 0.275 170 K C 0.368 176.993 176.600 0.041 0.000 1.009 170 K CA -0.371 55.960 56.287 0.074 0.000 0.970 170 K CB 0.940 33.492 32.500 0.086 0.000 0.934 170 K HN 0.265 nan 8.250 nan 0.000 0.479 171 L N 2.111 123.358 121.223 0.039 0.000 2.426 171 L HA -0.017 4.323 4.340 -0.000 0.000 0.271 171 L C 0.570 177.445 176.870 0.008 0.000 1.169 171 L CA -0.110 54.736 54.840 0.010 0.000 0.836 171 L CB 0.329 42.388 42.059 0.001 0.000 1.112 171 L HN 0.658 nan 8.230 nan 0.000 0.465 172 D N 3.406 123.806 120.400 0.000 0.000 2.671 172 D HA 0.138 4.778 4.640 -0.000 0.000 0.228 172 D C -0.227 176.071 176.300 -0.003 0.000 1.102 172 D CA 0.087 54.086 54.000 -0.001 0.000 1.044 172 D CB 0.094 40.892 40.800 -0.004 0.000 1.113 172 D HN 0.523 nan 8.370 nan 0.000 0.480 173 Q N -0.543 119.255 119.800 -0.005 0.000 2.738 173 Q HA 0.554 4.894 4.340 -0.000 0.000 0.301 173 Q C -0.147 175.845 176.000 -0.014 0.000 0.901 173 Q CA -1.399 54.400 55.803 -0.008 0.000 0.756 173 Q CB 0.273 29.004 28.738 -0.011 0.000 1.463 173 Q HN 0.080 nan 8.270 nan 0.000 0.432 174 G N 0.571 109.363 108.800 -0.014 0.000 2.588 174 G HA2 0.509 4.469 3.960 -0.000 0.000 0.278 174 G HA3 0.509 4.469 3.960 -0.000 0.000 0.278 174 G C -2.255 172.621 174.900 -0.039 0.000 1.307 174 G CA -1.073 44.014 45.100 -0.022 0.000 1.016 174 G HN 0.606 nan 8.290 nan 0.000 0.503 175 P HA 0.026 nan 4.420 nan 0.000 0.269 175 P C 1.144 178.413 177.300 -0.051 0.000 1.209 175 P CA 0.023 63.070 63.100 -0.089 0.000 0.776 175 P CB 1.258 32.901 31.700 -0.096 0.000 0.876 176 V N 0.081 119.956 119.914 -0.065 0.000 3.129 176 V HA 0.162 4.281 4.120 -0.000 0.000 0.259 176 V C 1.055 177.181 176.094 0.054 0.000 1.116 176 V CA 0.936 63.248 62.300 0.020 0.000 1.127 176 V CB -0.740 31.155 31.823 0.121 0.000 0.742 176 V HN 0.330 nan 8.190 nan 0.000 0.474 177 I N 1.059 121.594 120.570 -0.058 0.000 2.623 177 I HA 0.538 4.708 4.170 -0.000 0.000 0.275 177 I C 0.981 177.095 176.117 -0.005 0.000 1.108 177 I CA -0.131 61.141 61.300 -0.046 0.000 1.120 177 I CB 1.424 39.281 38.000 -0.238 0.000 1.249 177 I HN 0.085 nan 8.210 nan 0.000 0.500 178 A N 3.204 126.037 122.820 0.022 0.000 2.238 178 A HA 0.138 4.458 4.320 -0.000 0.000 0.208 178 A C 0.297 177.879 177.584 -0.003 0.000 1.177 178 A CA 0.779 52.825 52.037 0.014 0.000 0.804 178 A CB -0.189 18.822 19.000 0.019 0.000 0.823 178 A HN 0.644 nan 8.150 nan 0.000 0.482 179 D N -2.134 118.241 120.400 -0.041 0.000 2.648 179 D HA 0.353 4.993 4.640 -0.000 0.000 0.244 179 D C -0.638 175.392 176.300 -0.451 0.000 1.244 179 D CA -0.594 53.273 54.000 -0.221 0.000 0.772 179 D CB 0.644 41.299 40.800 -0.243 0.000 1.379 179 D HN 0.348 nan 8.370 nan 0.000 0.428 180 H N -0.950 117.709 119.070 -0.684 0.000 2.581 180 H HA 0.616 5.172 4.556 -0.000 0.000 0.369 180 H C -2.334 172.541 175.328 -0.754 0.000 1.351 180 H CA -1.586 53.615 56.048 -1.412 0.000 1.434 180 H CB -1.006 27.881 29.762 -1.458 0.000 1.558 180 H HN 0.024 nan 8.280 nan 0.000 0.608 181 P HA -0.112 nan 4.420 nan 0.000 0.263 181 P C -0.554 176.701 177.300 -0.075 0.000 1.175 181 P CA 0.336 63.187 63.100 -0.415 0.000 0.761 181 P CB 0.023 31.408 31.700 -0.526 0.000 0.794 182 F N 4.328 124.192 119.950 -0.143 0.000 2.593 182 F HA 0.119 4.646 4.527 -0.000 0.000 0.393 182 F C 1.265 177.066 175.800 0.003 0.000 1.037 182 F CA 0.909 58.867 58.000 -0.070 0.000 1.195 182 F CB -0.524 38.455 39.000 -0.035 0.000 1.034 182 F HN 0.644 nan 8.300 nan 0.000 0.552 183 A N 3.302 125.659 122.820 -0.771 0.000 2.945 183 A HA -0.217 4.103 4.320 -0.000 0.000 0.263 183 A C 0.039 177.492 177.584 -0.218 0.000 1.293 183 A CA 0.890 52.563 52.037 -0.606 0.000 0.944 183 A CB -2.685 15.808 19.000 -0.845 0.000 1.093 183 A HN 0.674 nan 8.150 nan 0.000 0.786 184 V N 1.246 121.098 119.914 -0.104 0.000 2.406 184 V HA 0.333 4.453 4.120 -0.000 0.000 0.272 184 V C 0.595 176.539 176.094 -0.251 0.000 1.043 184 V CA 0.272 62.506 62.300 -0.110 0.000 0.915 184 V CB 1.529 33.304 31.823 -0.081 0.000 0.988 184 V HN 0.449 nan 8.190 nan 0.000 0.466 185 D N 4.600 124.910 120.400 -0.150 0.000 2.608 185 D HA 0.150 4.789 4.640 -0.000 0.000 0.224 185 D C 0.290 176.527 176.300 -0.104 0.000 1.123 185 D CA -0.142 53.782 54.000 -0.127 0.000 1.030 185 D CB 0.256 41.054 40.800 -0.003 0.000 1.093 185 D HN 0.454 nan 8.370 nan 0.000 0.497 186 V N 1.212 120.855 119.914 -0.451 0.000 2.963 186 V HA 0.216 4.336 4.120 -0.000 0.000 0.306 186 V C 1.457 177.357 176.094 -0.325 0.000 1.077 186 V CA 0.382 62.449 62.300 -0.389 0.000 1.124 186 V CB 0.859 32.283 31.823 -0.664 0.000 0.987 186 V HN 0.444 nan 8.190 nan 0.000 0.487 187 T N -0.439 113.965 114.554 -0.249 0.000 3.051 187 T HA 0.603 4.953 4.350 -0.000 0.000 0.255 187 T C 0.606 175.330 174.700 0.040 0.000 1.085 187 T CA 0.501 62.462 62.100 -0.232 0.000 1.109 187 T CB 0.129 68.853 68.868 -0.240 0.000 0.921 187 T HN 1.952 nan 8.240 nan 0.000 0.488 188 A N 0.452 123.283 122.820 0.018 0.000 2.547 188 A HA 0.602 4.922 4.320 -0.000 0.000 0.298 188 A C -1.978 175.802 177.584 0.325 0.000 1.062 188 A CA -0.815 51.365 52.037 0.238 0.000 0.748 188 A CB 0.742 19.909 19.000 0.277 0.000 1.288 188 A HN 0.286 nan 8.150 nan 0.000 0.396 189 F N 3.924 123.980 119.950 0.176 0.000 2.691 189 F HA 0.681 5.208 4.527 -0.000 0.000 0.371 189 F C 0.230 176.175 175.800 0.242 0.000 1.159 189 F CA -0.196 57.904 58.000 0.166 0.000 1.174 189 F CB 0.485 39.497 39.000 0.019 0.000 1.419 189 F HN 0.871 nan 8.300 nan 0.000 0.514 190 R N 2.758 123.252 120.500 -0.010 0.000 2.756 190 R HA 0.785 5.124 4.340 -0.000 0.000 0.273 190 R C -0.568 175.752 176.300 0.033 0.000 1.030 190 R CA -0.810 55.295 56.100 0.008 0.000 0.887 190 R CB 0.722 31.174 30.300 0.254 0.000 1.274 190 R HN 0.942 nan 8.270 nan 0.000 0.461 191 A N -0.372 122.490 122.820 0.070 0.000 2.815 191 A HA -0.069 4.251 4.320 -0.000 0.000 0.292 191 A C -2.110 175.534 177.584 0.099 0.000 1.457 191 A CA 0.236 52.328 52.037 0.092 0.000 0.735 191 A CB -1.792 17.272 19.000 0.107 0.000 1.056 191 A HN 0.625 nan 8.150 nan 0.000 0.474 192 P HA 0.383 nan 4.420 nan 0.000 0.267 192 P C -0.521 176.870 177.300 0.152 0.000 1.205 192 P CA 0.493 63.611 63.100 0.030 0.000 0.765 192 P CB 0.401 32.016 31.700 -0.142 0.000 0.828 193 F N 4.952 124.971 119.950 0.116 0.000 2.507 193 F HA 0.350 4.877 4.527 -0.000 0.000 0.328 193 F C -0.432 175.570 175.800 0.337 0.000 1.136 193 F CA -0.902 57.221 58.000 0.206 0.000 0.930 193 F CB 1.525 40.672 39.000 0.245 0.000 1.166 193 F HN 0.198 nan 8.300 nan 0.000 0.436 194 V N 4.737 124.548 119.914 -0.171 0.000 2.539 194 V HA 0.813 4.933 4.120 -0.000 0.000 0.292 194 V C -0.909 175.463 176.094 0.462 0.000 1.045 194 V CA -0.596 61.785 62.300 0.134 0.000 0.945 194 V CB 1.137 32.913 31.823 -0.079 0.000 0.993 194 V HN 0.823 nan 8.190 nan 0.000 0.464 195 F N 0.948 121.314 119.950 0.693 0.000 2.773 195 F HA 0.858 5.385 4.527 -0.000 0.000 0.314 195 F C -0.812 175.320 175.800 0.553 0.000 1.160 195 F CA -1.417 57.005 58.000 0.703 0.000 0.920 195 F CB 1.541 40.983 39.000 0.737 0.000 1.323 195 F HN 0.548 nan 8.300 nan 0.000 0.457 196 R N 0.662 121.435 120.500 0.455 0.000 2.832 196 R HA 0.801 5.141 4.340 -0.000 0.000 0.271 196 R C -1.418 174.998 176.300 0.194 0.000 0.996 196 R CA -1.283 54.942 56.100 0.208 0.000 0.977 196 R CB 2.046 32.329 30.300 -0.028 0.000 1.168 196 R HN 0.837 nan 8.270 nan 0.000 0.482 197 S N -0.003 115.693 115.700 -0.007 0.000 2.584 197 S HA 0.368 4.838 4.470 -0.000 0.000 0.280 197 S C 0.019 174.112 174.600 -0.844 0.000 1.162 197 S CA -0.182 57.628 58.200 -0.650 0.000 0.951 197 S CB 1.601 64.513 63.200 -0.480 0.000 1.108 197 S HN 0.737 nan 8.310 nan 0.000 0.464 198 A N 4.755 126.593 122.820 -1.637 0.000 1.873 198 A HA -0.003 4.316 4.320 -0.000 0.000 0.215 198 A C 1.994 179.147 177.584 -0.719 0.000 1.186 198 A CA 1.649 52.564 52.037 -1.870 0.000 0.616 198 A CB -0.670 17.365 19.000 -1.608 0.000 0.823 198 A HN 0.885 nan 8.150 nan 0.000 0.442 199 R N -0.439 119.757 120.500 -0.506 0.000 2.091 199 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 199 R C 2.023 178.240 176.300 -0.139 0.000 1.136 199 R CA 1.582 57.545 56.100 -0.228 0.000 0.959 199 R CB -0.404 29.822 30.300 -0.124 0.000 0.856 199 R HN 0.542 nan 8.270 nan 0.000 0.437 200 L N 0.366 121.482 121.223 -0.178 0.000 2.017 200 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 200 L C 1.910 178.804 176.870 0.039 0.000 1.073 200 L CA 1.341 56.099 54.840 -0.136 0.000 0.745 200 L CB -0.497 41.229 42.059 -0.555 0.000 0.894 200 L HN 0.236 nan 8.230 nan 0.000 0.432 201 D N -0.338 120.120 120.400 0.097 0.000 2.123 201 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 201 D C 2.300 178.671 176.300 0.118 0.000 0.992 201 D CA 1.096 55.218 54.000 0.205 0.000 0.833 201 D CB -0.318 40.674 40.800 0.321 0.000 0.954 201 D HN 0.078 nan 8.370 nan 0.000 0.455 202 V N 1.004 120.944 119.914 0.044 0.000 2.261 202 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 202 V C 2.672 178.790 176.094 0.040 0.000 1.047 202 V CA 1.217 63.541 62.300 0.040 0.000 1.015 202 V CB -0.571 31.250 31.823 -0.003 0.000 0.642 202 V HN 0.196 nan 8.190 nan 0.000 0.446 203 L N -0.732 120.508 121.223 0.028 0.000 2.079 203 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 203 L C 2.347 179.250 176.870 0.055 0.000 1.081 203 L CA 1.525 56.388 54.840 0.038 0.000 0.752 203 L CB -0.507 41.576 42.059 0.040 0.000 0.896 203 L HN 0.321 nan 8.230 nan 0.000 0.433 204 L N -0.901 120.368 121.223 0.077 0.000 2.240 204 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 204 L C 2.564 179.475 176.870 0.069 0.000 1.106 204 L CA 1.107 55.999 54.840 0.086 0.000 0.793 204 L CB -0.291 41.847 42.059 0.132 0.000 0.927 204 L HN 0.341 nan 8.230 nan 0.000 0.446 205 S N -1.205 114.536 115.700 0.069 0.000 2.548 205 S HA 0.170 4.640 4.470 -0.000 0.000 0.215 205 S C 0.909 175.535 174.600 0.043 0.000 0.976 205 S CA -0.307 57.927 58.200 0.057 0.000 0.908 205 S CB -0.000 63.241 63.200 0.068 0.000 0.781 205 S HN 0.171 nan 8.310 nan 0.000 0.519 206 L N 1.160 122.408 121.223 0.042 0.000 2.855 206 L HA 0.469 4.809 4.340 -0.000 0.000 0.204 206 L C 0.031 176.917 176.870 0.028 0.000 1.206 206 L CA -0.875 53.985 54.840 0.033 0.000 0.942 206 L CB 0.237 42.314 42.059 0.030 0.000 1.832 206 L HN 0.261 nan 8.230 nan 0.000 0.522 207 D N -0.960 119.454 120.400 0.023 0.000 2.326 207 D HA 0.105 4.745 4.640 -0.000 0.000 0.248 207 D C 0.454 176.766 176.300 0.020 0.000 1.001 207 D CA -0.307 53.705 54.000 0.020 0.000 0.961 207 D CB 1.439 42.249 40.800 0.016 0.000 1.183 207 D HN 0.534 nan 8.370 nan 0.000 0.502 208 E N -0.085 120.126 120.200 0.019 0.000 2.274 208 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 208 E C 0.634 177.243 176.600 0.015 0.000 0.996 208 E CA 1.126 57.537 56.400 0.018 0.000 0.840 208 E CB 0.145 29.856 29.700 0.018 0.000 0.772 208 E HN 0.219 nan 8.360 nan 0.000 0.491 209 E N 0.454 120.662 120.200 0.013 0.000 2.251 209 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 209 E C 1.885 178.490 176.600 0.009 0.000 0.964 209 E CA 0.329 56.735 56.400 0.010 0.000 0.868 209 E CB 0.517 30.223 29.700 0.009 0.000 0.828 209 E HN 0.088 nan 8.360 nan 0.000 0.481 210 V N 0.339 120.260 119.914 0.011 0.000 2.951 210 V HA 0.054 4.174 4.120 -0.000 0.000 0.255 210 V C 1.591 177.693 176.094 0.012 0.000 1.088 210 V CA 1.331 63.638 62.300 0.011 0.000 1.109 210 V CB -0.080 31.750 31.823 0.013 0.000 0.724 210 V HN 0.233 nan 8.190 nan 0.000 0.471 211 A N -0.456 122.372 122.820 0.014 0.000 2.411 211 A HA 0.192 4.512 4.320 -0.000 0.000 0.251 211 A C 1.948 179.538 177.584 0.010 0.000 1.317 211 A CA -0.022 52.024 52.037 0.014 0.000 0.904 211 A CB -0.271 18.741 19.000 0.021 0.000 0.993 211 A HN 0.295 nan 8.150 nan 0.000 0.504 212 R N 1.067 121.571 120.500 0.007 0.000 2.103 212 R HA 0.039 4.379 4.340 -0.000 0.000 0.212 212 R C 0.203 176.502 176.300 -0.000 0.000 1.107 212 R CA 0.523 56.625 56.100 0.003 0.000 1.025 212 R CB -0.724 29.578 30.300 0.003 0.000 0.929 212 R HN 0.730 nan 8.270 nan 0.000 0.456 213 N N 2.930 121.631 118.700 0.001 0.000 2.405 213 N HA -0.020 4.720 4.740 -0.000 0.000 0.260 213 N C 0.115 175.625 175.510 -0.001 0.000 1.152 213 N CA 0.168 53.217 53.050 -0.000 0.000 0.948 213 N CB 1.101 39.589 38.487 0.001 0.000 1.111 213 N HN 0.143 nan 8.380 nan 0.000 0.485 214 E N 1.532 121.729 120.200 -0.004 0.000 2.233 214 E HA -0.217 4.132 4.350 -0.000 0.000 0.199 214 E C 0.854 177.453 176.600 -0.002 0.000 1.004 214 E CA 1.784 58.181 56.400 -0.005 0.000 0.819 214 E CB -0.097 29.598 29.700 -0.008 0.000 0.738 214 E HN 0.689 nan 8.360 nan 0.000 0.478 215 T N 1.087 115.641 114.554 0.000 0.000 2.569 215 T HA -0.219 4.131 4.350 -0.000 0.000 0.263 215 T C 2.104 176.807 174.700 0.006 0.000 1.074 215 T CA 1.538 63.639 62.100 0.003 0.000 1.176 215 T CB -0.495 68.375 68.868 0.003 0.000 0.863 215 T HN 0.341 nan 8.240 nan 0.000 0.410 216 A N 1.004 123.828 122.820 0.007 0.000 1.903 216 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 216 A C 2.611 180.202 177.584 0.011 0.000 1.191 216 A CA 1.991 54.034 52.037 0.010 0.000 0.638 216 A CB -1.309 17.697 19.000 0.010 0.000 0.823 216 A HN 0.346 nan 8.150 nan 0.000 0.451 217 V N -0.115 119.804 119.914 0.008 0.000 2.220 217 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 217 V C 2.739 178.835 176.094 0.003 0.000 1.049 217 V CA 2.476 64.780 62.300 0.006 0.000 1.003 217 V CB -0.951 30.872 31.823 -0.000 0.000 0.634 217 V HN 0.737 nan 8.190 nan 0.000 0.444 218 Q N 0.364 120.164 119.800 -0.001 0.000 2.217 218 Q HA -0.287 4.053 4.340 -0.000 0.000 0.209 218 Q C 2.085 178.091 176.000 0.010 0.000 0.988 218 Q CA 2.068 57.870 55.803 -0.001 0.000 0.878 218 Q CB -0.544 28.194 28.738 -0.000 0.000 0.909 218 Q HN 0.742 nan 8.270 nan 0.000 0.424 219 Q N -1.180 118.629 119.800 0.015 0.000 2.291 219 Q HA -0.014 4.325 4.340 -0.000 0.000 0.205 219 Q C 1.805 177.825 176.000 0.033 0.000 0.970 219 Q CA 1.186 57.002 55.803 0.022 0.000 0.876 219 Q CB -0.094 28.655 28.738 0.018 0.000 0.935 219 Q HN 0.522 nan 8.270 nan 0.000 0.455 220 A N -0.033 122.807 122.820 0.035 0.000 1.943 220 A HA -0.023 4.297 4.320 -0.000 0.000 0.213 220 A C 2.215 179.847 177.584 0.080 0.000 1.181 220 A CA 0.447 52.516 52.037 0.055 0.000 0.653 220 A CB -0.230 18.800 19.000 0.051 0.000 0.833 220 A HN 0.179 nan 8.150 nan 0.000 0.451 221 V N 1.161 121.102 119.914 0.045 0.000 2.469 221 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 221 V C 1.902 178.057 176.094 0.102 0.000 1.064 221 V CA 2.179 64.499 62.300 0.032 0.000 1.066 221 V CB -0.804 30.988 31.823 -0.051 0.000 0.667 221 V HN 0.516 nan 8.190 nan 0.000 0.461 222 D N 0.876 121.322 120.400 0.077 0.000 2.178 222 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 222 D C 2.017 178.380 176.300 0.105 0.000 0.980 222 D CA 1.706 55.755 54.000 0.081 0.000 0.842 222 D CB -0.101 40.730 40.800 0.052 0.000 0.948 222 D HN 0.564 nan 8.370 nan 0.000 0.472 223 G N -0.394 108.475 108.800 0.114 0.000 3.189 223 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.225 223 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.225 223 G C -0.006 174.971 174.900 0.128 0.000 1.159 223 G CA -0.635 44.523 45.100 0.095 0.000 0.763 223 G HN 0.099 nan 8.290 nan 0.000 0.549 224 W N 3.407 124.698 121.300 -0.014 0.000 2.223 224 W HA 0.374 5.034 4.660 -0.000 0.000 0.334 224 W C 0.269 176.774 176.519 -0.023 0.000 1.334 224 W CA 0.160 57.492 57.345 -0.022 0.000 1.246 224 W CB 0.776 30.218 29.460 -0.031 0.000 1.184 224 W HN -0.009 nan 8.180 nan 0.000 0.563 225 T N 3.933 118.046 114.554 -0.735 0.000 2.842 225 T HA 0.113 4.463 4.350 -0.000 0.000 0.308 225 T C 0.724 174.710 174.700 -1.190 0.000 1.041 225 T CA -0.777 60.902 62.100 -0.702 0.000 0.964 225 T CB 1.617 70.257 68.868 -0.380 0.000 0.972 225 T HN 0.648 nan 8.240 nan 0.000 0.460 226 E N 3.125 122.613 120.200 -1.188 0.000 2.070 226 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 226 E C 1.567 177.860 176.600 -0.511 0.000 1.004 226 E CA 1.602 57.408 56.400 -0.990 0.000 0.805 226 E CB -0.050 29.468 29.700 -0.304 0.000 0.744 226 E HN 0.742 nan 8.360 nan 0.000 0.451 227 K N 0.014 120.221 120.400 -0.322 0.000 2.127 227 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 227 K C 1.339 177.832 176.600 -0.178 0.000 1.047 227 K CA 1.876 58.056 56.287 -0.180 0.000 0.927 227 K CB -0.251 32.177 32.500 -0.120 0.000 0.716 227 K HN 0.232 nan 8.250 nan 0.000 0.450 228 N N -0.948 117.597 118.700 -0.259 0.000 2.200 228 N HA 0.165 4.905 4.740 -0.000 0.000 0.224 228 N C -0.413 174.952 175.510 -0.241 0.000 1.179 228 N CA -0.144 52.785 53.050 -0.202 0.000 0.877 228 N CB 0.708 39.095 38.487 -0.165 0.000 1.072 228 N HN 0.019 nan 8.380 nan 0.000 0.519 229 A N 1.734 124.352 122.820 -0.338 0.000 2.386 229 A HA 0.434 4.754 4.320 -0.000 0.000 0.248 229 A C -2.133 175.307 177.584 -0.240 0.000 1.082 229 A CA -0.954 50.941 52.037 -0.237 0.000 0.789 229 A CB 0.082 19.006 19.000 -0.128 0.000 1.025 229 A HN 0.158 nan 8.150 nan 0.000 0.490 230 P HA 0.227 nan 4.420 nan 0.000 0.279 230 P C -1.178 175.909 177.300 -0.354 0.000 1.252 230 P CA -0.411 62.532 63.100 -0.261 0.000 0.811 230 P CB 0.587 32.128 31.700 -0.266 0.000 1.035 231 W N 0.722 121.911 121.300 -0.185 0.000 2.313 231 W HA 0.363 5.023 4.660 0.000 0.000 0.328 231 W C 0.000 176.346 176.519 -0.288 0.000 1.197 231 W CA 0.204 57.496 57.345 -0.088 0.000 1.235 231 W CB 0.436 29.995 29.460 0.166 0.000 1.158 231 W HN 0.301 nan 8.180 nan 0.000 0.578 232 Y N 0.888 121.193 120.300 0.009 0.000 2.487 232 Y HA 0.616 5.166 4.550 -0.000 0.000 0.337 232 Y C -0.094 175.734 175.900 -0.120 0.000 1.076 232 Y CA -1.178 56.767 58.100 -0.258 0.000 1.115 232 Y CB 1.388 39.212 38.460 -1.061 0.000 1.235 232 Y HN -0.053 nan 8.280 nan 0.000 0.468 233 V N 2.039 122.102 119.914 0.249 0.000 2.531 233 V HA 0.755 4.875 4.120 -0.000 0.000 0.301 233 V C -0.683 175.663 176.094 0.420 0.000 1.034 233 V CA -1.040 61.421 62.300 0.268 0.000 0.865 233 V CB 1.471 33.329 31.823 0.058 0.000 0.995 233 V HN 0.846 nan 8.190 nan 0.000 0.424 234 A N 4.717 127.833 122.820 0.494 0.000 2.287 234 A HA 0.852 5.172 4.320 -0.000 0.000 0.317 234 A C -0.711 177.110 177.584 0.395 0.000 1.220 234 A CA -0.499 51.819 52.037 0.469 0.000 0.835 234 A CB 1.217 20.508 19.000 0.485 0.000 1.180 234 A HN 0.681 nan 8.150 nan 0.000 0.500 235 V N 2.335 122.504 119.914 0.426 0.000 2.483 235 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 235 V C 0.367 176.691 176.094 0.384 0.000 1.035 235 V CA -0.405 62.069 62.300 0.290 0.000 0.896 235 V CB 1.818 33.719 31.823 0.131 0.000 0.986 235 V HN 0.905 nan 8.190 nan 0.000 0.447 236 S N 2.265 118.125 115.700 0.268 0.000 2.565 236 S HA 0.937 5.407 4.470 -0.000 0.000 0.290 236 S C 0.545 175.328 174.600 0.306 0.000 1.150 236 S CA 0.271 58.626 58.200 0.257 0.000 1.058 236 S CB 1.784 65.099 63.200 0.192 0.000 1.032 236 S HN 1.281 nan 8.310 nan 0.000 0.510 237 G N 0.397 109.330 108.800 0.222 0.000 2.601 237 G HA2 0.590 4.550 3.960 -0.000 0.000 0.080 237 G HA3 0.590 4.550 3.960 -0.000 0.000 0.080 237 G C -0.358 174.529 174.900 -0.021 0.000 1.046 237 G CA 0.169 45.404 45.100 0.225 0.000 1.143 237 G HN 1.287 nan 8.290 nan 0.000 0.507 238 G N -2.097 106.718 108.800 0.025 0.000 2.321 238 G HA2 0.595 4.555 3.960 -0.000 0.000 0.296 238 G HA3 0.595 4.555 3.960 -0.000 0.000 0.296 238 G C -2.125 172.766 174.900 -0.015 0.000 1.287 238 G CA 0.416 45.413 45.100 -0.172 0.000 0.846 238 G HN 1.474 nan 8.290 nan 0.000 0.508 239 V N 1.095 120.953 119.914 -0.094 0.000 2.577 239 V HA 0.438 4.558 4.120 -0.000 0.000 0.303 239 V C -0.293 175.774 176.094 -0.047 0.000 1.042 239 V CA -1.061 61.220 62.300 -0.032 0.000 0.872 239 V CB 1.530 33.366 31.823 0.022 0.000 0.998 239 V HN 0.755 nan 8.190 nan 0.000 0.423 240 H N 3.043 122.116 119.070 0.005 0.000 3.034 240 H HA 0.117 4.673 4.556 -0.000 0.000 0.324 240 H C 1.470 176.815 175.328 0.028 0.000 1.015 240 H CA 1.881 57.953 56.048 0.040 0.000 1.429 240 H CB 0.790 30.574 29.762 0.038 0.000 1.429 240 H HN 1.115 nan 8.280 nan 0.000 0.585 241 G N 2.502 111.401 108.800 0.166 0.000 2.189 241 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.267 241 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.267 241 G C 0.939 175.864 174.900 0.040 0.000 0.975 241 G CA 0.733 45.894 45.100 0.101 0.000 0.644 241 G HN 0.506 nan 8.290 nan 0.000 0.537 242 V N -0.656 119.260 119.914 0.004 0.000 2.870 242 V HA 0.727 4.846 4.120 -0.000 0.000 0.232 242 V C 1.419 177.446 176.094 -0.112 0.000 1.161 242 V CA 1.680 63.953 62.300 -0.044 0.000 1.204 242 V CB 0.410 32.209 31.823 -0.041 0.000 1.003 242 V HN 1.916 nan 8.190 nan 0.000 0.499 243 G N 0.451 109.150 108.800 -0.169 0.000 2.353 243 G HA2 0.230 4.190 3.960 -0.000 0.000 0.308 243 G HA3 0.230 4.190 3.960 -0.000 0.000 0.308 243 G C -3.373 171.262 174.900 -0.443 0.000 1.418 243 G CA -0.539 44.383 45.100 -0.295 0.000 0.966 243 G HN 0.104 nan 8.290 nan 0.000 0.638 244 P HA 0.502 nan 4.420 nan 0.000 0.270 244 P C -0.029 176.517 177.300 -1.256 0.000 1.223 244 P CA 0.726 63.217 63.100 -1.016 0.000 0.785 244 P CB 1.662 32.490 31.700 -1.453 0.000 0.923 245 A N 1.507 123.689 122.820 -1.065 0.000 2.564 245 A HA 0.489 4.809 4.320 -0.000 0.000 0.291 245 A C -1.555 175.743 177.584 -0.478 0.000 1.102 245 A CA -0.566 50.988 52.037 -0.805 0.000 0.660 245 A CB 1.207 19.806 19.000 -0.669 0.000 1.283 245 A HN 0.505 nan 8.150 nan 0.000 0.430 246 Q N 0.188 119.837 119.800 -0.251 0.000 2.325 246 Q HA 0.560 4.900 4.340 -0.000 0.000 0.270 246 Q C -1.836 174.224 176.000 0.100 0.000 1.020 246 Q CA -0.293 55.552 55.803 0.071 0.000 0.785 246 Q CB 1.709 30.759 28.738 0.519 0.000 1.259 246 Q HN 0.540 nan 8.270 nan 0.000 0.452 247 F N 2.527 122.775 119.950 0.497 0.000 2.411 247 F HA 0.310 4.837 4.527 -0.000 0.000 0.355 247 F C -0.102 175.992 175.800 0.491 0.000 1.117 247 F CA -0.731 57.607 58.000 0.563 0.000 1.139 247 F CB 0.459 39.900 39.000 0.735 0.000 1.120 247 F HN 0.317 nan 8.300 nan 0.000 0.493 248 L N 5.304 126.770 121.223 0.404 0.000 2.295 248 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 248 L C -1.341 175.577 176.870 0.080 0.000 1.035 248 L CA -0.598 54.356 54.840 0.189 0.000 0.806 248 L CB 0.540 42.540 42.059 -0.099 0.000 1.214 248 L HN 0.503 nan 8.230 nan 0.000 0.426 249 Y N 3.559 124.067 120.300 0.348 0.000 2.665 249 Y HA 0.799 5.349 4.550 -0.000 0.000 0.336 249 Y C -0.341 175.764 175.900 0.341 0.000 1.085 249 Y CA -0.992 57.343 58.100 0.390 0.000 1.096 249 Y CB 1.807 40.529 38.460 0.437 0.000 1.301 249 Y HN 0.597 nan 8.280 nan 0.000 0.493 250 R N -0.213 120.586 120.500 0.497 0.000 2.663 250 R HA 0.365 4.705 4.340 -0.000 0.000 0.267 250 R C -1.944 174.424 176.300 0.114 0.000 1.038 250 R CA -1.060 55.157 56.100 0.195 0.000 0.886 250 R CB 1.154 31.318 30.300 -0.227 0.000 1.249 250 R HN 0.677 nan 8.270 nan 0.000 0.463 251 Q N 1.857 121.544 119.800 -0.188 0.000 2.308 251 Q HA -0.089 4.251 4.340 -0.000 0.000 0.313 251 Q C -0.369 175.443 176.000 -0.314 0.000 1.075 251 Q CA 0.451 55.899 55.803 -0.591 0.000 0.995 251 Q CB 0.241 28.628 28.738 -0.584 0.000 1.107 251 Q HN 0.428 nan 8.270 nan 0.000 0.380 252 N N 1.226 119.754 118.700 -0.287 0.000 2.365 252 N HA -0.028 4.712 4.740 -0.000 0.000 0.265 252 N C 0.797 176.240 175.510 -0.112 0.000 1.288 252 N CA 1.619 54.603 53.050 -0.110 0.000 0.869 252 N CB 0.193 38.655 38.487 -0.041 0.000 1.071 252 N HN 0.773 nan 8.380 nan 0.000 0.480 253 G N 2.259 111.021 108.800 -0.064 0.000 2.168 253 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.263 253 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.263 253 G C 0.879 175.734 174.900 -0.075 0.000 0.977 253 G CA 0.604 45.670 45.100 -0.057 0.000 0.659 253 G HN 1.695 nan 8.290 nan 0.000 0.533 254 G N -0.989 107.743 108.800 -0.113 0.000 2.143 254 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 254 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 254 G C 0.131 174.938 174.900 -0.154 0.000 0.991 254 G CA 0.784 45.806 45.100 -0.130 0.000 0.689 254 G HN 1.411 nan 8.290 nan 0.000 0.522 255 N N 0.883 119.473 118.700 -0.184 0.000 2.415 255 N HA 0.495 5.235 4.740 -0.000 0.000 0.250 255 N C 1.529 176.870 175.510 -0.281 0.000 1.127 255 N CA 0.613 53.543 53.050 -0.200 0.000 0.945 255 N CB 0.782 39.156 38.487 -0.189 0.000 1.196 255 N HN 0.492 nan 8.380 nan 0.000 0.499 256 A N 2.682 125.365 122.820 -0.229 0.000 2.186 256 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 256 A C 1.782 179.145 177.584 -0.369 0.000 1.159 256 A CA 1.221 53.122 52.037 -0.227 0.000 0.680 256 A CB -0.013 18.907 19.000 -0.134 0.000 0.787 256 A HN 0.608 nan 8.150 nan 0.000 0.467 257 S N -0.878 114.600 115.700 -0.369 0.000 2.535 257 S HA 0.095 4.565 4.470 -0.000 0.000 0.214 257 S C 0.510 174.747 174.600 -0.605 0.000 0.980 257 S CA -0.043 57.915 58.200 -0.403 0.000 0.907 257 S CB 0.088 63.191 63.200 -0.161 0.000 0.790 257 S HN 0.602 nan 8.310 nan 0.000 0.510 258 E N 0.858 120.671 120.200 -0.645 0.000 2.052 258 E HA 0.275 4.625 4.350 -0.000 0.000 0.283 258 E C -0.384 175.701 176.600 -0.858 0.000 1.071 258 E CA -0.174 55.883 56.400 -0.572 0.000 0.851 258 E CB -0.038 29.410 29.700 -0.421 0.000 1.066 258 E HN 0.168 nan 8.360 nan 0.000 0.396 259 F N 2.495 122.283 119.950 -0.270 0.000 2.724 259 F HA 0.177 4.704 4.527 -0.000 0.000 0.306 259 F C 1.854 177.607 175.800 -0.077 0.000 1.100 259 F CA -0.177 57.719 58.000 -0.173 0.000 1.255 259 F CB 0.179 39.188 39.000 0.014 0.000 1.072 259 F HN 0.434 nan 8.300 nan 0.000 0.589 260 Q N 0.009 119.738 119.800 -0.118 0.000 2.033 260 Q HA -0.004 4.336 4.340 -0.000 0.000 0.196 260 Q C -0.431 175.300 176.000 -0.448 0.000 0.970 260 Q CA 1.515 57.138 55.803 -0.300 0.000 0.828 260 Q CB -0.123 28.269 28.738 -0.576 0.000 0.895 260 Q HN 0.318 nan 8.270 nan 0.000 0.440 261 Y N -0.870 119.335 120.300 -0.159 0.000 2.330 261 Y HA 0.383 4.933 4.550 -0.000 0.000 0.336 261 Y C -1.129 174.555 175.900 -0.360 0.000 1.036 261 Y CA -0.939 57.098 58.100 -0.106 0.000 1.125 261 Y CB 0.787 39.212 38.460 -0.058 0.000 1.194 261 Y HN 0.038 nan 8.280 nan 0.000 0.469 262 W N 3.261 124.701 121.300 0.234 0.000 2.393 262 W HA 0.400 5.060 4.660 -0.000 0.000 0.315 262 W C -0.380 176.350 176.519 0.352 0.000 1.009 262 W CA -1.136 56.349 57.345 0.232 0.000 1.313 262 W CB 0.816 30.376 29.460 0.167 0.000 1.269 262 W HN 0.496 nan 8.180 nan 0.000 0.420 263 E N 1.892 122.332 120.200 0.399 0.000 2.360 263 E HA 0.042 4.392 4.350 -0.000 0.000 0.269 263 E C -0.975 175.888 176.600 0.440 0.000 1.022 263 E CA -0.635 55.976 56.400 0.353 0.000 0.887 263 E CB 1.034 30.842 29.700 0.179 0.000 0.990 263 E HN 0.420 nan 8.360 nan 0.000 0.426 264 Y N 4.250 124.671 120.300 0.201 0.000 2.393 264 Y HA 0.164 4.714 4.550 -0.000 0.000 0.338 264 Y C 0.097 175.980 175.900 -0.027 0.000 1.029 264 Y CA -0.791 57.254 58.100 -0.092 0.000 1.239 264 Y CB 0.653 39.079 38.460 -0.057 0.000 1.170 264 Y HN 0.642 nan 8.280 nan 0.000 0.515 265 L N 5.819 126.786 121.223 -0.426 0.000 2.607 265 L HA 0.348 4.688 4.340 -0.000 0.000 0.228 265 L C 1.130 177.697 176.870 -0.505 0.000 1.123 265 L CA 0.440 55.100 54.840 -0.301 0.000 0.890 265 L CB -0.669 41.364 42.059 -0.043 0.000 1.103 265 L HN 0.996 nan 8.230 nan 0.000 0.468 266 G N 0.770 108.788 108.800 -1.303 0.000 2.610 266 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.304 266 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.304 266 G C -0.536 174.290 174.900 -0.123 0.000 1.309 266 G CA -0.807 43.793 45.100 -0.834 0.000 0.906 266 G HN 0.211 nan 8.290 nan 0.000 0.521 267 E N 1.354 121.646 120.200 0.152 0.000 1.856 267 E HA 0.144 4.494 4.350 -0.000 0.000 0.263 267 E C 1.305 178.055 176.600 0.250 0.000 1.137 267 E CA -0.369 56.166 56.400 0.224 0.000 1.007 267 E CB 0.035 29.813 29.700 0.131 0.000 1.117 267 E HN 0.572 nan 8.360 nan 0.000 0.438 268 W N 3.647 125.000 121.300 0.088 0.000 2.538 268 W HA -0.097 4.563 4.660 -0.000 0.000 0.254 268 W C -0.516 176.160 176.519 0.261 0.000 1.249 268 W CA 0.140 57.567 57.345 0.138 0.000 1.253 268 W CB -0.235 29.314 29.460 0.148 0.000 1.130 268 W HN 0.410 nan 8.180 nan 0.000 0.618 269 W N 3.646 124.786 121.300 -0.267 0.000 3.216 269 W HA 0.367 5.027 4.660 0.000 0.000 0.335 269 W C -1.383 174.995 176.519 -0.236 0.000 1.077 269 W CA -1.730 55.391 57.345 -0.373 0.000 1.252 269 W CB -0.018 29.081 29.460 -0.602 0.000 1.312 269 W HN 0.118 nan 8.180 nan 0.000 0.446 270 Q N 3.632 123.272 119.800 -0.266 0.000 2.416 270 Q HA 0.787 5.127 4.340 -0.000 0.000 0.281 270 Q C -1.153 174.534 176.000 -0.522 0.000 1.067 270 Q CA -0.929 54.562 55.803 -0.519 0.000 0.809 270 Q CB 3.461 32.019 28.738 -0.300 0.000 1.418 270 Q HN 0.283 nan 8.270 nan 0.000 0.411 271 E N 0.441 120.258 120.200 -0.640 0.000 2.367 271 E HA 0.556 4.906 4.350 -0.000 0.000 0.273 271 E C -1.111 175.292 176.600 -0.328 0.000 0.903 271 E CA -0.850 55.274 56.400 -0.460 0.000 0.764 271 E CB 2.254 31.553 29.700 -0.668 0.000 1.252 271 E HN 0.804 nan 8.360 nan 0.000 0.446 272 A N 1.361 124.077 122.820 -0.174 0.000 2.483 272 A HA 0.248 4.568 4.320 -0.000 0.000 0.238 272 A C 0.253 177.727 177.584 -0.184 0.000 1.070 272 A CA 0.025 51.976 52.037 -0.145 0.000 0.770 272 A CB -0.275 18.677 19.000 -0.079 0.000 1.008 272 A HN 0.496 nan 8.150 nan 0.000 0.497 273 T N 2.644 117.078 114.554 -0.200 0.000 2.867 273 T HA -0.002 4.348 4.350 -0.000 0.000 0.290 273 T C 1.097 175.570 174.700 -0.379 0.000 1.025 273 T CA 1.330 63.256 62.100 -0.290 0.000 1.146 273 T CB -0.249 68.519 68.868 -0.166 0.000 1.024 273 T HN 0.971 nan 8.240 nan 0.000 0.519 274 N N 1.227 119.550 118.700 -0.628 0.000 2.666 274 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 274 N C 0.339 175.679 175.510 -0.284 0.000 1.118 274 N CA 0.917 53.593 53.050 -0.624 0.000 0.722 274 N CB -0.970 36.994 38.487 -0.872 0.000 1.050 274 N HN 0.817 nan 8.380 nan 0.000 0.550 275 S N -1.949 113.669 115.700 -0.138 0.000 2.632 275 S HA 0.767 5.237 4.470 -0.000 0.000 0.267 275 S C 0.410 174.980 174.600 -0.049 0.000 1.193 275 S CA 0.068 58.255 58.200 -0.021 0.000 1.003 275 S CB 1.744 65.005 63.200 0.103 0.000 1.073 275 S HN 0.858 nan 8.310 nan 0.000 0.553 276 S N -1.283 114.365 115.700 -0.086 0.000 2.588 276 S HA 0.413 4.883 4.470 -0.000 0.000 0.269 276 S C -1.428 173.023 174.600 -0.248 0.000 1.157 276 S CA -1.010 56.918 58.200 -0.452 0.000 0.824 276 S CB 0.556 63.557 63.200 -0.332 0.000 1.126 276 S HN 0.961 nan 8.310 nan 0.000 0.464 277 W N 2.254 123.159 121.300 -0.659 0.000 2.304 277 W HA 0.461 5.121 4.660 -0.000 0.000 0.313 277 W C 0.481 176.915 176.519 -0.142 0.000 1.323 277 W CA 1.411 58.612 57.345 -0.240 0.000 1.223 277 W CB 0.267 29.530 29.460 -0.328 0.000 1.237 277 W HN 1.640 nan 8.180 nan 0.000 0.535 278 G N 4.660 113.040 108.800 -0.700 0.000 2.712 278 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.686 278 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.686 278 G C 0.311 175.059 174.900 -0.254 0.000 1.321 278 G CA -0.217 44.580 45.100 -0.505 0.000 0.813 278 G HN 0.608 nan 8.290 nan 0.000 0.599 279 D N 0.493 120.781 120.400 -0.188 0.000 2.219 279 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 279 D C 1.651 177.900 176.300 -0.084 0.000 0.970 279 D CA 1.710 55.638 54.000 -0.119 0.000 0.851 279 D CB 0.316 41.061 40.800 -0.092 0.000 0.943 279 D HN 0.742 nan 8.370 nan 0.000 0.488 280 E N -0.452 119.706 120.200 -0.070 0.000 2.693 280 E HA 0.287 4.637 4.350 -0.000 0.000 0.214 280 E C 0.548 177.113 176.600 -0.059 0.000 0.990 280 E CA -0.221 56.145 56.400 -0.055 0.000 1.047 280 E CB 1.243 30.921 29.700 -0.038 0.000 1.039 280 E HN 0.061 nan 8.360 nan 0.000 0.475 281 G N 2.126 110.883 108.800 -0.073 0.000 2.371 281 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.299 281 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.299 281 G C 0.671 175.557 174.900 -0.022 0.000 1.014 281 G CA 1.024 46.081 45.100 -0.071 0.000 1.097 281 G HN 0.271 nan 8.290 nan 0.000 0.512 282 T N -1.503 113.039 114.554 -0.019 0.000 2.983 282 T HA 0.074 4.424 4.350 -0.000 0.000 0.250 282 T C 1.789 176.400 174.700 -0.149 0.000 1.037 282 T CA 1.566 63.575 62.100 -0.152 0.000 1.142 282 T CB -0.022 68.656 68.868 -0.317 0.000 0.876 282 T HN 0.556 nan 8.240 nan 0.000 0.455 283 W N 1.125 122.571 121.300 0.242 0.000 3.107 283 W HA 0.636 5.296 4.660 0.000 0.000 0.293 283 W C 1.264 177.948 176.519 0.274 0.000 1.239 283 W CA -0.260 57.309 57.345 0.373 0.000 1.653 283 W CB 0.566 30.182 29.460 0.259 0.000 1.068 283 W HN 0.111 nan 8.180 nan 0.000 0.615 284 A N 0.016 122.970 122.820 0.223 0.000 2.843 284 A HA 0.631 4.951 4.320 -0.000 0.000 0.248 284 A C 1.037 178.325 177.584 -0.492 0.000 0.904 284 A CA 0.166 52.030 52.037 -0.288 0.000 1.091 284 A CB -0.798 17.957 19.000 -0.407 0.000 1.208 284 A HN 0.311 nan 8.150 nan 0.000 0.476 285 G N 1.164 109.893 108.800 -0.118 0.000 2.632 285 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.322 285 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.322 285 G C 0.095 174.802 174.900 -0.322 0.000 1.326 285 G CA 0.721 45.750 45.100 -0.118 0.000 0.986 285 G HN 0.878 nan 8.290 nan 0.000 0.541 286 R N -1.525 118.765 120.500 -0.350 0.000 2.795 286 R HA 0.408 4.748 4.340 -0.000 0.000 0.275 286 R C 0.556 176.645 176.300 -0.353 0.000 0.981 286 R CA -0.646 55.211 56.100 -0.405 0.000 0.917 286 R CB 1.338 31.490 30.300 -0.247 0.000 1.202 286 R HN 0.600 nan 8.270 nan 0.000 0.469 287 W N 1.217 122.452 121.300 -0.108 0.000 2.525 287 W HA 0.006 4.666 4.660 -0.000 0.000 0.259 287 W C 1.366 177.793 176.519 -0.152 0.000 1.253 287 W CA 0.653 57.974 57.345 -0.040 0.000 1.262 287 W CB 0.025 29.448 29.460 -0.060 0.000 1.122 287 W HN 1.015 nan 8.180 nan 0.000 0.607 288 G N 0.898 109.611 108.800 -0.147 0.000 2.601 288 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 288 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 288 G C -0.082 174.415 174.900 -0.672 0.000 1.289 288 G CA 0.518 45.374 45.100 -0.406 0.000 0.920 288 G HN 0.212 nan 8.290 nan 0.000 0.571 289 F N 0.771 120.343 119.950 -0.630 0.000 2.714 289 F HA 0.399 4.926 4.527 -0.000 0.000 0.294 289 F C 1.157 176.537 175.800 -0.700 0.000 1.120 289 F CA 0.681 58.182 58.000 -0.832 0.000 1.398 289 F CB 0.483 38.473 39.000 -1.683 0.000 1.120 289 F HN 0.519 nan 8.300 nan 0.000 0.589 290 N N -1.061 117.400 118.700 -0.398 0.000 2.431 290 N HA 0.273 5.013 4.740 -0.000 0.000 0.275 290 N C -1.725 173.814 175.510 0.048 0.000 1.091 290 N CA -0.424 52.503 53.050 -0.206 0.000 0.922 290 N CB 1.130 39.555 38.487 -0.103 0.000 1.666 290 N HN -0.301 nan 8.380 nan 0.000 0.484 291 F N 1.304 121.168 119.950 -0.143 0.000 2.404 291 F HA 0.484 5.011 4.527 -0.000 0.000 0.339 291 F C 0.487 176.268 175.800 -0.032 0.000 1.105 291 F CA -0.490 57.431 58.000 -0.132 0.000 1.087 291 F CB 1.138 39.993 39.000 -0.243 0.000 1.143 291 F HN 0.379 nan 8.300 nan 0.000 0.491 292 E N 0.163 120.446 120.200 0.139 0.000 2.293 292 E HA 0.332 4.682 4.350 -0.000 0.000 0.270 292 E C -0.628 175.958 176.600 -0.024 0.000 0.879 292 E CA -0.729 55.722 56.400 0.086 0.000 0.756 292 E CB 2.035 31.813 29.700 0.129 0.000 1.208 292 E HN 0.648 nan 8.360 nan 0.000 0.428 293 T N -0.892 113.675 114.554 0.021 0.000 3.580 293 T HA -0.180 4.170 4.350 -0.000 0.000 0.402 293 T C 0.229 174.907 174.700 -0.036 0.000 0.765 293 T CA 0.242 62.346 62.100 0.007 0.000 2.064 293 T CB -2.057 66.788 68.868 -0.038 0.000 1.724 293 T HN 0.702 nan 8.240 nan 0.000 0.719 294 G N 1.484 110.284 108.800 -0.000 0.000 2.360 294 G HA2 0.493 4.453 3.960 -0.000 0.000 0.279 294 G HA3 0.493 4.453 3.960 -0.000 0.000 0.279 294 G C -0.049 174.693 174.900 -0.264 0.000 1.189 294 G CA -0.658 44.399 45.100 -0.070 0.000 0.941 294 G HN 0.661 nan 8.290 nan 0.000 0.445 295 N N 0.676 119.083 118.700 -0.487 0.000 2.421 295 N HA 0.475 5.215 4.740 -0.000 0.000 0.285 295 N C -0.518 174.507 175.510 -0.809 0.000 1.027 295 N CA -0.409 51.949 53.050 -1.153 0.000 0.918 295 N CB 2.227 40.306 38.487 -0.681 0.000 1.152 295 N HN 0.184 nan 8.380 nan 0.000 0.485 296 V N 3.468 122.867 119.914 -0.858 0.000 2.357 296 V HA 0.479 4.599 4.120 -0.000 0.000 0.284 296 V C -0.514 175.215 176.094 -0.610 0.000 1.018 296 V CA -0.704 61.168 62.300 -0.713 0.000 0.841 296 V CB 0.766 31.890 31.823 -1.166 0.000 0.991 296 V HN 0.390 nan 8.190 nan 0.000 0.437 297 L N 4.682 125.452 121.223 -0.755 0.000 2.303 297 L HA 0.707 5.047 4.340 -0.000 0.000 0.266 297 L C -0.796 175.461 176.870 -1.022 0.000 1.011 297 L CA -0.554 53.889 54.840 -0.662 0.000 0.818 297 L CB 1.362 42.983 42.059 -0.730 0.000 1.326 297 L HN 0.411 nan 8.230 nan 0.000 0.435 298 F N 1.955 121.715 119.950 -0.316 0.000 2.771 298 F HA 0.535 5.062 4.527 -0.000 0.000 0.365 298 F C -0.788 174.755 175.800 -0.428 0.000 1.169 298 F CA -0.469 57.330 58.000 -0.335 0.000 1.093 298 F CB 1.044 39.824 39.000 -0.367 0.000 1.363 298 F HN 0.044 nan 8.300 nan 0.000 0.496 299 L N 2.231 123.381 121.223 -0.122 0.000 2.334 299 L HA 0.726 5.066 4.340 -0.000 0.000 0.275 299 L C 0.694 177.534 176.870 -0.050 0.000 1.036 299 L CA -0.378 54.353 54.840 -0.182 0.000 0.807 299 L CB 1.719 43.455 42.059 -0.539 0.000 1.231 299 L HN 0.680 nan 8.230 nan 0.000 0.438 300 T N -2.217 112.307 114.554 -0.049 0.000 2.708 300 T HA 0.403 4.753 4.350 -0.000 0.000 0.256 300 T C 0.607 175.291 174.700 -0.025 0.000 0.946 300 T CA -0.457 61.640 62.100 -0.006 0.000 1.039 300 T CB 0.575 69.451 68.868 0.012 0.000 1.557 300 T HN 0.523 nan 8.240 nan 0.000 0.576 301 E N 0.084 120.281 120.200 -0.005 0.000 2.479 301 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 301 E C 0.730 177.322 176.600 -0.013 0.000 1.049 301 E CA 0.225 56.617 56.400 -0.012 0.000 0.870 301 E CB 0.272 29.973 29.700 0.003 0.000 0.944 301 E HN 0.544 nan 8.360 nan 0.000 0.492 302 E N -0.869 119.328 120.200 -0.006 0.000 2.474 302 E HA 0.215 4.565 4.350 -0.000 0.000 0.215 302 E C 0.591 177.197 176.600 0.009 0.000 0.867 302 E CA 0.424 56.825 56.400 0.002 0.000 1.135 302 E CB 1.584 31.292 29.700 0.014 0.000 1.147 302 E HN 0.184 nan 8.360 nan 0.000 0.534 303 G N -0.787 108.024 108.800 0.018 0.000 2.593 303 G HA2 0.005 3.964 3.960 -0.000 0.000 0.103 303 G HA3 0.005 3.964 3.960 -0.000 0.000 0.103 303 G C -1.560 173.404 174.900 0.107 0.000 1.103 303 G CA -0.728 44.407 45.100 0.060 0.000 1.109 303 G HN 0.089 nan 8.290 nan 0.000 0.516 304 H N 1.358 120.482 119.070 0.091 0.000 2.466 304 H HA 0.654 5.210 4.556 -0.000 0.000 0.338 304 H C -1.759 173.668 175.328 0.164 0.000 1.091 304 H CA -0.079 56.058 56.048 0.149 0.000 1.207 304 H CB 2.017 31.930 29.762 0.251 0.000 1.466 304 H HN 0.438 nan 8.280 nan 0.000 0.493 305 D N 6.798 127.153 120.400 -0.074 0.000 2.616 305 D HA 0.123 4.763 4.640 -0.000 0.000 0.238 305 D C -2.289 173.983 176.300 -0.048 0.000 1.354 305 D CA -1.512 52.523 54.000 0.059 0.000 0.970 305 D CB 2.577 43.410 40.800 0.056 0.000 1.369 305 D HN 0.303 nan 8.370 nan 0.000 0.585 306 P HA -0.043 nan 4.420 nan 0.000 0.242 306 P C 0.749 177.694 177.300 -0.591 0.000 1.197 306 P CA 0.631 63.528 63.100 -0.338 0.000 0.765 306 P CB 0.746 32.412 31.700 -0.057 0.000 0.936 307 Q N 0.315 119.962 119.800 -0.254 0.000 2.511 307 Q HA 0.020 4.360 4.340 -0.000 0.000 0.236 307 Q C 1.509 177.426 176.000 -0.138 0.000 0.893 307 Q CA 1.112 56.764 55.803 -0.252 0.000 0.947 307 Q CB 0.330 29.119 28.738 0.084 0.000 1.110 307 Q HN 0.159 nan 8.270 nan 0.000 0.591 308 T N -2.796 111.730 114.554 -0.047 0.000 3.044 308 T HA 0.367 4.717 4.350 -0.000 0.000 0.260 308 T C 0.694 175.401 174.700 0.011 0.000 1.019 308 T CA 0.104 62.197 62.100 -0.011 0.000 0.921 308 T CB 0.740 69.619 68.868 0.019 0.000 1.053 308 T HN 0.212 nan 8.240 nan 0.000 0.533 309 G N 0.997 109.808 108.800 0.019 0.000 2.476 309 G HA2 0.461 4.421 3.960 -0.000 0.000 0.269 309 G HA3 0.461 4.421 3.960 -0.000 0.000 0.269 309 G C -0.681 174.314 174.900 0.158 0.000 1.195 309 G CA -0.638 44.505 45.100 0.073 0.000 0.843 309 G HN 0.516 nan 8.290 nan 0.000 0.545 310 E N 0.590 120.896 120.200 0.176 0.000 2.331 310 E HA 0.269 4.619 4.350 -0.000 0.000 0.272 310 E C -0.078 176.644 176.600 0.204 0.000 1.036 310 E CA -0.705 55.805 56.400 0.183 0.000 0.864 310 E CB 1.010 30.823 29.700 0.188 0.000 1.035 310 E HN 0.154 nan 8.360 nan 0.000 0.408 311 V N 5.271 125.228 119.914 0.072 0.000 2.529 311 V HA 0.083 4.203 4.120 -0.000 0.000 0.292 311 V C -0.255 175.710 176.094 -0.214 0.000 1.028 311 V CA 0.653 62.882 62.300 -0.117 0.000 1.074 311 V CB -0.596 31.244 31.823 0.028 0.000 0.958 311 V HN 0.510 nan 8.190 nan 0.000 0.481 312 F N 3.181 122.864 119.950 -0.445 0.000 2.551 312 F HA 0.722 5.249 4.527 -0.000 0.000 0.316 312 F C -0.195 175.287 175.800 -0.529 0.000 1.089 312 F CA -0.763 57.028 58.000 -0.350 0.000 0.915 312 F CB 2.369 41.181 39.000 -0.313 0.000 1.186 312 F HN 0.169 nan 8.300 nan 0.000 0.456 313 V N 1.449 121.184 119.914 -0.298 0.000 2.638 313 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 313 V C -0.553 175.456 176.094 -0.142 0.000 1.052 313 V CA -0.821 61.244 62.300 -0.392 0.000 0.885 313 V CB 2.173 33.578 31.823 -0.695 0.000 0.999 313 V HN 0.818 nan 8.190 nan 0.000 0.424 314 T N 3.448 117.915 114.554 -0.145 0.000 2.888 314 T HA 0.940 5.290 4.350 -0.000 0.000 0.284 314 T C -0.727 173.905 174.700 -0.113 0.000 1.017 314 T CA -0.682 61.395 62.100 -0.038 0.000 1.022 314 T CB 1.826 70.693 68.868 -0.001 0.000 1.013 314 T HN 1.054 nan 8.240 nan 0.000 0.465 315 L N -1.125 120.027 121.223 -0.119 0.000 2.794 315 L HA 0.888 5.228 4.340 -0.000 0.000 0.261 315 L C -0.520 176.215 176.870 -0.224 0.000 0.989 315 L CA -1.279 53.436 54.840 -0.208 0.000 0.900 315 L CB 1.286 43.133 42.059 -0.353 0.000 1.473 315 L HN 0.931 nan 8.230 nan 0.000 0.414 316 G N 0.087 108.716 108.800 -0.285 0.000 2.389 316 G HA2 0.660 4.620 3.960 -0.000 0.000 0.328 316 G HA3 0.660 4.620 3.960 -0.000 0.000 0.328 316 G C -0.550 174.362 174.900 0.020 0.000 1.133 316 G CA -0.029 44.906 45.100 -0.275 0.000 0.891 316 G HN 0.941 nan 8.290 nan 0.000 0.485 317 T N -0.952 113.724 114.554 0.203 0.000 2.841 317 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 317 T C -0.576 174.190 174.700 0.111 0.000 1.000 317 T CA -0.795 61.407 62.100 0.168 0.000 0.977 317 T CB 2.401 71.342 68.868 0.123 0.000 0.979 317 T HN 0.419 nan 8.240 nan 0.000 0.446 318 E N 1.377 121.583 120.200 0.011 0.000 2.146 318 E HA 0.554 4.904 4.350 -0.000 0.000 0.282 318 E C 0.187 176.695 176.600 -0.154 0.000 0.989 318 E CA -0.824 55.490 56.400 -0.143 0.000 0.799 318 E CB 1.432 31.113 29.700 -0.032 0.000 1.088 318 E HN 0.874 nan 8.360 nan 0.000 0.397 319 G N 1.081 109.823 108.800 -0.097 0.000 2.788 319 G HA2 0.602 4.562 3.960 -0.000 0.000 0.293 319 G HA3 0.602 4.562 3.960 -0.000 0.000 0.293 319 G C -0.998 174.031 174.900 0.216 0.000 1.305 319 G CA -0.450 44.692 45.100 0.070 0.000 1.005 319 G HN 0.381 nan 8.290 nan 0.000 0.496 320 S N -2.099 113.807 115.700 0.344 0.000 2.565 320 S HA 0.670 5.140 4.470 -0.000 0.000 0.274 320 S C -0.033 174.723 174.600 0.260 0.000 1.144 320 S CA 0.142 58.518 58.200 0.293 0.000 0.849 320 S CB 1.076 64.469 63.200 0.321 0.000 1.103 320 S HN 1.445 nan 8.310 nan 0.000 0.455 321 G N 1.373 110.273 108.800 0.166 0.000 2.522 321 G HA2 0.645 4.605 3.960 -0.000 0.000 0.304 321 G HA3 0.645 4.605 3.960 -0.000 0.000 0.304 321 G C -1.048 173.932 174.900 0.133 0.000 1.210 321 G CA -0.759 44.419 45.100 0.129 0.000 0.960 321 G HN 0.757 nan 8.290 nan 0.000 0.497 322 L N 1.493 122.781 121.223 0.108 0.000 2.317 322 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 322 L C -1.423 175.484 176.870 0.062 0.000 1.024 322 L CA -1.542 53.356 54.840 0.095 0.000 0.810 322 L CB 1.681 43.799 42.059 0.099 0.000 1.240 322 L HN 0.460 nan 8.230 nan 0.000 0.427 323 P HA 0.296 nan 4.420 nan 0.000 0.271 323 P C -0.489 176.838 177.300 0.045 0.000 1.218 323 P CA -0.342 62.785 63.100 0.047 0.000 0.780 323 P CB 1.242 32.959 31.700 0.028 0.000 0.901 324 I N 1.021 121.615 120.570 0.040 0.000 2.575 324 I HA 0.066 4.236 4.170 -0.000 0.000 0.285 324 I C 0.212 176.312 176.117 -0.029 0.000 1.085 324 I CA -0.555 60.755 61.300 0.016 0.000 1.403 324 I CB 1.074 39.070 38.000 -0.007 0.000 1.409 324 I HN 0.068 nan 8.210 nan 0.000 0.557 325 V N 7.813 127.694 119.914 -0.054 0.000 2.275 325 V HA 0.236 4.356 4.120 -0.000 0.000 0.272 325 V C -2.174 173.813 176.094 -0.178 0.000 1.028 325 V CA -1.810 60.440 62.300 -0.084 0.000 0.810 325 V CB 0.820 32.611 31.823 -0.053 0.000 1.043 325 V HN 0.607 nan 8.190 nan 0.000 0.453 326 P HA -0.029 nan 4.420 nan 0.000 0.261 326 P C 0.426 177.491 177.300 -0.391 0.000 1.165 326 P CA 0.738 63.660 63.100 -0.297 0.000 0.759 326 P CB 0.111 31.698 31.700 -0.188 0.000 0.772 327 Q N -1.732 117.640 119.800 -0.714 0.000 2.465 327 Q HA -0.146 4.194 4.340 -0.000 0.000 0.248 327 Q C -0.837 174.691 176.000 -0.787 0.000 0.819 327 Q CA 0.331 55.510 55.803 -1.040 0.000 1.219 327 Q CB -1.938 26.515 28.738 -0.476 0.000 1.472 327 Q HN 0.249 nan 8.270 nan 0.000 0.630 328 V N 0.946 120.531 119.914 -0.549 0.000 2.447 328 V HA 0.324 4.444 4.120 -0.000 0.000 0.292 328 V C -0.054 176.065 176.094 0.042 0.000 1.021 328 V CA -0.437 61.763 62.300 -0.167 0.000 0.850 328 V CB 2.079 33.855 31.823 -0.079 0.000 1.005 328 V HN 0.075 nan 8.190 nan 0.000 0.426 329 S N 2.423 118.243 115.700 0.201 0.000 2.415 329 S HA 0.141 4.611 4.470 -0.000 0.000 0.313 329 S C 1.290 175.940 174.600 0.082 0.000 1.067 329 S CA -0.007 58.330 58.200 0.229 0.000 1.099 329 S CB 1.117 64.378 63.200 0.102 0.000 0.991 329 S HN 0.997 nan 8.310 nan 0.000 0.491 330 S N 2.765 118.530 115.700 0.108 0.000 2.453 330 S HA 0.098 4.568 4.470 -0.000 0.000 0.231 330 S C 0.574 175.209 174.600 0.058 0.000 1.005 330 S CA 0.452 58.720 58.200 0.114 0.000 0.949 330 S CB -0.171 63.101 63.200 0.119 0.000 0.774 330 S HN 0.534 nan 8.310 nan 0.000 0.510 331 I N 2.152 122.667 120.570 -0.090 0.000 2.466 331 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 331 I C -1.279 174.554 176.117 -0.474 0.000 1.026 331 I CA -0.731 60.468 61.300 -0.170 0.000 1.078 331 I CB 1.279 39.247 38.000 -0.053 0.000 1.249 331 I HN 0.142 nan 8.210 nan 0.000 0.429 332 H N 3.546 122.297 119.070 -0.531 0.000 2.786 332 H HA 0.388 4.944 4.556 -0.000 0.000 0.284 332 H C -1.009 174.167 175.328 -0.254 0.000 1.104 332 H CA -0.521 55.063 56.048 -0.773 0.000 1.339 332 H CB 0.768 29.453 29.762 -1.795 0.000 1.427 332 H HN 0.323 nan 8.280 nan 0.000 0.497 333 D N 2.608 123.070 120.400 0.103 0.000 2.225 333 D HA 0.102 4.742 4.640 -0.000 0.000 0.248 333 D C 0.036 176.474 176.300 0.230 0.000 1.096 333 D CA -0.597 53.508 54.000 0.176 0.000 0.863 333 D CB 1.354 42.115 40.800 -0.065 0.000 1.156 333 D HN 0.319 nan 8.370 nan 0.000 0.450 334 M N 4.181 123.917 119.600 0.226 0.000 2.589 334 M HA 0.267 4.747 4.480 -0.000 0.000 0.340 334 M C -1.433 174.820 176.300 -0.078 0.000 1.308 334 M CA -0.240 55.138 55.300 0.130 0.000 1.332 334 M CB -0.425 32.312 32.600 0.229 0.000 1.219 334 M HN 0.226 nan 8.290 nan 0.000 0.467 335 L N 3.876 124.967 121.223 -0.221 0.000 2.400 335 L HA 0.727 5.067 4.340 -0.000 0.000 0.264 335 L C -0.460 176.380 176.870 -0.050 0.000 1.061 335 L CA -0.818 53.818 54.840 -0.341 0.000 0.799 335 L CB 1.323 43.112 42.059 -0.450 0.000 1.240 335 L HN 0.701 nan 8.230 nan 0.000 0.461 336 W N -0.034 121.176 121.300 -0.150 0.000 3.118 336 W HA 0.838 5.498 4.660 -0.000 0.000 0.328 336 W C -1.778 174.690 176.519 -0.086 0.000 1.239 336 W CA -1.177 56.123 57.345 -0.076 0.000 1.176 336 W CB 1.567 31.028 29.460 0.001 0.000 1.433 336 W HN 0.609 nan 8.180 nan 0.000 0.562 337 A N 1.144 124.071 122.820 0.178 0.000 2.594 337 A HA 0.907 5.227 4.320 -0.000 0.000 0.295 337 A C -1.728 175.839 177.584 -0.027 0.000 1.071 337 A CA -0.384 51.563 52.037 -0.150 0.000 0.685 337 A CB 1.314 20.155 19.000 -0.265 0.000 1.285 337 A HN 1.539 nan 8.150 nan 0.000 0.405 338 A N -0.099 122.557 122.820 -0.274 0.000 2.469 338 A HA 1.033 5.353 4.320 -0.000 0.000 0.299 338 A C 0.164 177.432 177.584 -0.527 0.000 1.098 338 A CA 0.011 51.663 52.037 -0.643 0.000 0.737 338 A CB 1.621 19.895 19.000 -1.211 0.000 1.312 338 A HN 2.662 nan 8.150 nan 0.000 0.414 339 G N -0.121 108.392 108.800 -0.479 0.000 2.393 339 G HA2 0.528 4.488 3.960 -0.000 0.000 0.264 339 G HA3 0.528 4.488 3.960 -0.000 0.000 0.264 339 G C -1.849 172.829 174.900 -0.371 0.000 1.221 339 G CA -0.482 44.277 45.100 -0.568 0.000 0.912 339 G HN 0.721 nan 8.290 nan 0.000 0.483 340 E N -1.302 118.647 120.200 -0.418 0.000 2.336 340 E HA 0.687 5.036 4.350 -0.000 0.000 0.267 340 E C -0.842 175.659 176.600 -0.165 0.000 0.906 340 E CA -0.581 55.698 56.400 -0.202 0.000 0.781 340 E CB 2.549 32.154 29.700 -0.158 0.000 1.261 340 E HN 0.412 nan 8.360 nan 0.000 0.436 341 V N 1.451 121.362 119.914 -0.004 0.000 2.417 341 V HA 0.845 4.965 4.120 -0.000 0.000 0.291 341 V C 0.323 176.441 176.094 0.039 0.000 1.024 341 V CA -0.454 61.893 62.300 0.077 0.000 0.861 341 V CB 1.485 33.455 31.823 0.245 0.000 0.985 341 V HN 0.694 nan 8.190 nan 0.000 0.436 342 G N 2.398 111.213 108.800 0.025 0.000 2.816 342 G HA2 0.721 4.681 3.960 -0.000 0.000 0.288 342 G HA3 0.721 4.681 3.960 -0.000 0.000 0.288 342 G C -0.428 174.497 174.900 0.042 0.000 1.334 342 G CA -0.472 44.638 45.100 0.017 0.000 0.978 342 G HN 0.898 nan 8.290 nan 0.000 0.493 343 V N -1.801 118.132 119.914 0.032 0.000 3.185 343 V HA 0.642 4.762 4.120 -0.000 0.000 0.305 343 V C 1.183 177.299 176.094 0.038 0.000 1.090 343 V CA 0.044 62.369 62.300 0.041 0.000 1.107 343 V CB 1.032 32.874 31.823 0.031 0.000 1.061 343 V HN 1.136 nan 8.190 nan 0.000 0.480 344 G N 1.575 110.401 108.800 0.044 0.000 3.090 344 G HA2 0.353 4.313 3.960 -0.000 0.000 0.259 344 G HA3 0.353 4.313 3.960 -0.000 0.000 0.259 344 G C 0.580 175.494 174.900 0.023 0.000 0.797 344 G CA 0.781 45.902 45.100 0.036 0.000 2.032 344 G HN 1.620 nan 8.290 nan 0.000 0.614 345 S N 0.949 116.657 115.700 0.014 0.000 3.927 345 S HA -0.293 4.177 4.470 -0.000 0.000 0.618 345 S C 1.368 175.975 174.600 0.011 0.000 2.201 345 S CA 1.965 60.170 58.200 0.008 0.000 4.160 345 S CB -0.924 62.278 63.200 0.005 0.000 0.266 345 S HN 0.711 nan 8.310 nan 0.000 0.760 346 E N 0.632 120.839 120.200 0.010 0.000 2.714 346 E HA 0.214 4.564 4.350 -0.000 0.000 0.219 346 E C -0.105 176.504 176.600 0.015 0.000 0.979 346 E CA -0.221 56.187 56.400 0.012 0.000 1.092 346 E CB 0.523 30.229 29.700 0.009 0.000 1.049 346 E HN 0.540 nan 8.360 nan 0.000 0.487 347 Q N 0.774 120.584 119.800 0.017 0.000 2.237 347 Q HA 0.222 4.562 4.340 -0.000 0.000 0.219 347 Q C 0.608 176.623 176.000 0.027 0.000 0.999 347 Q CA -0.414 55.402 55.803 0.021 0.000 0.959 347 Q CB 0.656 29.406 28.738 0.020 0.000 1.173 347 Q HN -0.175 nan 8.270 nan 0.000 0.527 348 E N -0.129 120.090 120.200 0.032 0.000 2.368 348 E HA 0.159 4.509 4.350 -0.000 0.000 0.188 348 E C 0.134 176.761 176.600 0.046 0.000 1.061 348 E CA 0.073 56.495 56.400 0.038 0.000 0.933 348 E CB -0.264 29.461 29.700 0.042 0.000 1.091 348 E HN 0.726 nan 8.360 nan 0.000 0.458 349 G N 0.440 109.265 108.800 0.042 0.000 2.783 349 G HA2 0.408 4.368 3.960 -0.000 0.000 0.182 349 G HA3 0.408 4.368 3.960 -0.000 0.000 0.182 349 G C -0.065 174.855 174.900 0.033 0.000 1.516 349 G CA 0.079 45.208 45.100 0.048 0.000 1.079 349 G HN 0.276 nan 8.290 nan 0.000 0.573 350 A N -0.777 122.064 122.820 0.036 0.000 2.555 350 A HA 0.246 4.566 4.320 -0.000 0.000 0.233 350 A C 1.396 179.003 177.584 0.038 0.000 1.060 350 A CA 0.464 52.517 52.037 0.027 0.000 0.759 350 A CB 0.220 19.275 19.000 0.092 0.000 0.995 350 A HN 0.610 nan 8.150 nan 0.000 0.506 351 K N 0.197 120.614 120.400 0.028 0.000 2.167 351 K HA 0.070 4.390 4.320 -0.000 0.000 0.203 351 K C 0.384 177.032 176.600 0.080 0.000 1.052 351 K CA 1.411 57.726 56.287 0.046 0.000 0.956 351 K CB -0.216 32.307 32.500 0.038 0.000 0.735 351 K HN 0.754 nan 8.250 nan 0.000 0.451 352 V N -1.048 118.942 119.914 0.127 0.000 3.007 352 V HA 0.484 4.604 4.120 -0.000 0.000 0.311 352 V C -1.380 174.867 176.094 0.255 0.000 1.120 352 V CA -1.072 61.334 62.300 0.177 0.000 0.980 352 V CB 2.228 34.173 31.823 0.203 0.000 1.033 352 V HN 0.033 nan 8.190 nan 0.000 0.429 353 E N 2.355 122.679 120.200 0.205 0.000 2.314 353 E HA 0.520 4.870 4.350 -0.000 0.000 0.272 353 E C -1.931 174.676 176.600 0.013 0.000 0.884 353 E CA -0.549 55.930 56.400 0.131 0.000 0.753 353 E CB 3.200 32.919 29.700 0.033 0.000 1.213 353 E HN 0.726 nan 8.360 nan 0.000 0.432 354 F N 1.649 121.326 119.950 -0.454 0.000 2.404 354 F HA 0.392 4.919 4.527 -0.000 0.000 0.354 354 F C -0.726 174.660 175.800 -0.690 0.000 1.122 354 F CA -0.422 57.107 58.000 -0.784 0.000 1.080 354 F CB 1.227 39.221 39.000 -1.675 0.000 1.131 354 F HN 0.181 nan 8.300 nan 0.000 0.471 355 S N 7.906 122.892 115.700 -1.191 0.000 2.566 355 S HA 0.419 4.889 4.470 -0.000 0.000 0.324 355 S C -2.662 171.201 174.600 -1.229 0.000 1.081 355 S CA -1.232 56.395 58.200 -0.956 0.000 1.105 355 S CB 1.276 64.191 63.200 -0.474 0.000 0.981 355 S HN 0.413 nan 8.310 nan 0.000 0.464 356 P HA 0.118 nan 4.420 nan 0.000 0.268 356 P C 0.446 177.431 177.300 -0.524 0.000 1.205 356 P CA -0.045 62.456 63.100 -0.999 0.000 0.771 356 P CB 0.726 31.947 31.700 -0.798 0.000 0.858 357 S N 2.229 117.639 115.700 -0.483 0.000 2.539 357 S HA 0.284 4.754 4.470 -0.000 0.000 0.226 357 S C 0.469 175.013 174.600 -0.094 0.000 1.054 357 S CA -0.053 58.048 58.200 -0.165 0.000 0.910 357 S CB -0.284 62.805 63.200 -0.184 0.000 0.818 357 S HN 0.514 nan 8.310 nan 0.000 0.490 358 M N -0.030 119.282 119.600 -0.481 0.000 2.534 358 M HA 0.885 5.365 4.480 -0.000 0.000 0.280 358 M C -1.655 174.022 176.300 -1.039 0.000 1.217 358 M CA -0.975 54.013 55.300 -0.520 0.000 0.893 358 M CB 1.730 34.252 32.600 -0.129 0.000 1.730 358 M HN 0.114 nan 8.290 nan 0.000 0.483 359 A N 0.572 122.604 122.820 -1.314 0.000 2.606 359 A HA 1.069 5.389 4.320 -0.000 0.000 0.293 359 A C -0.682 176.109 177.584 -1.321 0.000 1.082 359 A CA -0.067 51.075 52.037 -1.493 0.000 0.685 359 A CB 1.776 20.014 19.000 -1.270 0.000 1.284 359 A HN 1.576 nan 8.150 nan 0.000 0.408 360 G N -0.865 106.899 108.800 -1.727 0.000 2.664 360 G HA2 0.593 4.553 3.960 -0.000 0.000 0.303 360 G HA3 0.593 4.553 3.960 -0.000 0.000 0.303 360 G C -1.808 172.624 174.900 -0.780 0.000 1.243 360 G CA -0.502 44.079 45.100 -0.866 0.000 0.826 360 G HN 0.603 nan 8.290 nan 0.000 0.498 361 F N 0.237 120.025 119.950 -0.270 0.000 2.458 361 F HA 0.458 4.985 4.527 -0.000 0.000 0.336 361 F C 1.057 176.974 175.800 0.195 0.000 1.114 361 F CA -0.639 57.159 58.000 -0.336 0.000 0.987 361 F CB 2.342 40.561 39.000 -1.302 0.000 1.130 361 F HN 0.351 nan 8.300 nan 0.000 0.458 362 L N 1.296 122.746 121.223 0.380 0.000 2.179 362 L HA 0.167 4.506 4.340 -0.000 0.000 0.208 362 L C -0.003 176.965 176.870 0.165 0.000 1.096 362 L CA 1.755 56.770 54.840 0.292 0.000 0.779 362 L CB -0.178 42.006 42.059 0.208 0.000 0.922 362 L HN 0.524 nan 8.230 nan 0.000 0.443 363 D N -2.503 117.980 120.400 0.139 0.000 2.966 363 D HA 0.046 4.686 4.640 -0.000 0.000 0.222 363 D C -0.613 175.729 176.300 0.070 0.000 1.292 363 D CA -0.387 53.651 54.000 0.063 0.000 0.907 363 D CB 0.682 41.518 40.800 0.059 0.000 1.621 363 D HN 0.067 nan 8.370 nan 0.000 0.557 364 W N 2.242 123.445 121.300 -0.161 0.000 3.180 364 W HA 0.242 4.902 4.660 -0.000 0.000 0.254 364 W C 1.565 178.017 176.519 -0.111 0.000 1.318 364 W CA -0.181 56.994 57.345 -0.283 0.000 1.608 364 W CB 0.334 29.553 29.460 -0.401 0.000 1.124 364 W HN 0.358 nan 8.180 nan 0.000 0.694 365 G N 0.338 109.226 108.800 0.148 0.000 2.398 365 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.246 365 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.246 365 G C 0.336 175.385 174.900 0.249 0.000 1.289 365 G CA -0.523 44.675 45.100 0.164 0.000 0.869 365 G HN 0.217 nan 8.290 nan 0.000 0.543 366 F N 2.300 122.367 119.950 0.195 0.000 2.091 366 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 366 F C 2.420 178.381 175.800 0.269 0.000 1.103 366 F CA 2.204 60.359 58.000 0.258 0.000 1.228 366 F CB 0.205 39.443 39.000 0.396 0.000 0.984 366 F HN 0.361 nan 8.300 nan 0.000 0.477 367 S N 0.361 116.270 115.700 0.348 0.000 2.631 367 S HA 0.380 4.850 4.470 -0.000 0.000 0.217 367 S C 0.536 175.072 174.600 -0.107 0.000 0.958 367 S CA 0.142 58.339 58.200 -0.005 0.000 0.920 367 S CB -0.593 62.621 63.200 0.024 0.000 0.776 367 S HN 0.457 nan 8.310 nan 0.000 0.517 368 A N 1.385 124.256 122.820 0.085 0.000 2.301 368 A HA 0.775 5.095 4.320 -0.000 0.000 0.298 368 A C -0.680 177.129 177.584 0.374 0.000 1.185 368 A CA -0.329 51.790 52.037 0.138 0.000 0.830 368 A CB 0.487 19.558 19.000 0.118 0.000 1.112 368 A HN 0.458 nan 8.150 nan 0.000 0.508 369 Y N 0.670 121.117 120.300 0.244 0.000 2.774 369 Y HA 0.404 4.954 4.550 -0.000 0.000 0.346 369 Y C 0.353 176.522 175.900 0.448 0.000 1.222 369 Y CA 0.017 58.331 58.100 0.357 0.000 1.088 369 Y CB 0.971 39.733 38.460 0.503 0.000 1.354 369 Y HN 1.903 nan 8.280 nan 0.000 0.455 370 A N 1.037 123.806 122.820 -0.086 0.000 2.687 370 A HA 0.007 4.327 4.320 -0.000 0.000 0.299 370 A C 0.052 177.727 177.584 0.152 0.000 1.497 370 A CA 0.826 52.855 52.037 -0.014 0.000 0.751 370 A CB -2.128 16.965 19.000 0.154 0.000 1.048 370 A HN 1.826 nan 8.150 nan 0.000 0.464 371 A N -0.254 122.641 122.820 0.125 0.000 2.545 371 A HA 0.563 4.883 4.320 -0.000 0.000 0.253 371 A C 0.798 178.519 177.584 0.228 0.000 1.074 371 A CA 0.869 53.031 52.037 0.209 0.000 0.760 371 A CB -0.077 19.028 19.000 0.175 0.000 1.005 371 A HN 2.327 nan 8.150 nan 0.000 0.506 372 A N 3.096 126.129 122.820 0.356 0.000 2.311 372 A HA 0.748 5.068 4.320 -0.000 0.000 0.306 372 A C 0.413 178.395 177.584 0.665 0.000 1.189 372 A CA 0.170 52.464 52.037 0.427 0.000 0.791 372 A CB 0.846 20.030 19.000 0.307 0.000 1.172 372 A HN 1.665 nan 8.150 nan 0.000 0.481 373 G N 0.634 109.806 108.800 0.620 0.000 3.013 373 G HA2 0.714 4.674 3.960 -0.000 0.000 0.278 373 G HA3 0.714 4.674 3.960 -0.000 0.000 0.278 373 G C -1.002 174.160 174.900 0.436 0.000 1.353 373 G CA -0.729 44.632 45.100 0.435 0.000 1.043 373 G HN 0.772 nan 8.290 nan 0.000 0.523 374 K N -1.349 118.971 120.400 -0.133 0.000 2.625 374 K HA 0.462 4.782 4.320 -0.000 0.000 0.284 374 K C -0.967 175.529 176.600 -0.173 0.000 0.984 374 K CA -0.568 55.796 56.287 0.128 0.000 0.865 374 K CB 1.768 34.561 32.500 0.489 0.000 1.468 374 K HN 0.419 nan 8.250 nan 0.000 0.407 375 V N 3.024 122.987 119.914 0.082 0.000 2.637 375 V HA 0.263 4.383 4.120 -0.000 0.000 0.296 375 V C -0.216 175.910 176.094 0.053 0.000 1.046 375 V CA -0.402 61.894 62.300 -0.008 0.000 1.066 375 V CB 0.816 32.625 31.823 -0.023 0.000 0.968 375 V HN 0.576 nan 8.190 nan 0.000 0.483 376 L N 8.971 130.169 121.223 -0.041 0.000 2.337 376 L HA 0.579 4.919 4.340 -0.000 0.000 0.269 376 L C -2.465 174.405 176.870 0.000 0.000 1.018 376 L CA -1.967 52.822 54.840 -0.085 0.000 0.876 376 L CB 1.258 43.132 42.059 -0.308 0.000 1.236 376 L HN 0.403 nan 8.230 nan 0.000 0.436 377 P HA 0.079 nan 4.420 nan 0.000 0.267 377 P C 0.225 177.556 177.300 0.052 0.000 1.200 377 P CA 0.151 63.303 63.100 0.087 0.000 0.772 377 P CB 0.826 32.597 31.700 0.118 0.000 0.855 378 A N 2.431 125.284 122.820 0.055 0.000 2.121 378 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 378 A C 1.843 179.448 177.584 0.034 0.000 1.154 378 A CA 1.825 53.883 52.037 0.034 0.000 0.679 378 A CB -1.323 17.701 19.000 0.039 0.000 0.795 378 A HN 0.587 nan 8.150 nan 0.000 0.458 379 S N 0.270 116.001 115.700 0.051 0.000 2.603 379 S HA 0.092 4.562 4.470 -0.000 0.000 0.220 379 S C 0.943 175.575 174.600 0.054 0.000 0.967 379 S CA 0.307 58.538 58.200 0.051 0.000 0.920 379 S CB -0.843 62.394 63.200 0.062 0.000 0.773 379 S HN 0.717 nan 8.310 nan 0.000 0.529 380 S N 0.901 116.633 115.700 0.053 0.000 2.585 380 S HA 0.650 5.120 4.470 -0.000 0.000 0.273 380 S C 1.380 176.001 174.600 0.035 0.000 1.339 380 S CA -0.317 57.920 58.200 0.061 0.000 1.028 380 S CB 1.047 64.281 63.200 0.055 0.000 0.906 380 S HN 0.465 nan 8.310 nan 0.000 0.528 381 A N 2.251 125.096 122.820 0.042 0.000 1.933 381 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 381 A C 2.107 179.687 177.584 -0.007 0.000 1.175 381 A CA 1.575 53.623 52.037 0.018 0.000 0.628 381 A CB -1.228 17.785 19.000 0.022 0.000 0.814 381 A HN 0.793 nan 8.150 nan 0.000 0.444 382 V N -0.165 119.742 119.914 -0.012 0.000 2.237 382 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 382 V C 2.786 178.846 176.094 -0.056 0.000 1.046 382 V CA 2.476 64.746 62.300 -0.051 0.000 1.007 382 V CB -0.901 30.874 31.823 -0.081 0.000 0.638 382 V HN 0.568 nan 8.190 nan 0.000 0.445 383 S N -0.805 114.867 115.700 -0.047 0.000 2.399 383 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 383 S C 1.935 176.519 174.600 -0.027 0.000 1.022 383 S CA 1.332 59.508 58.200 -0.041 0.000 0.983 383 S CB -0.255 62.928 63.200 -0.028 0.000 0.803 383 S HN 0.572 nan 8.310 nan 0.000 0.480 384 K N 0.728 121.118 120.400 -0.017 0.000 2.025 384 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 384 K C 2.343 178.930 176.600 -0.022 0.000 1.049 384 K CA 1.579 57.858 56.287 -0.012 0.000 0.933 384 K CB -0.452 32.046 32.500 -0.003 0.000 0.714 384 K HN 0.241 nan 8.250 nan 0.000 0.438 385 T N 0.818 115.354 114.554 -0.031 0.000 2.708 385 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 385 T C 2.052 176.724 174.700 -0.047 0.000 1.037 385 T CA 1.853 63.929 62.100 -0.040 0.000 1.146 385 T CB -0.239 68.598 68.868 -0.052 0.000 0.865 385 T HN 0.365 nan 8.240 nan 0.000 0.435 386 S N 0.426 116.094 115.700 -0.054 0.000 2.522 386 S HA 0.281 4.751 4.470 -0.000 0.000 0.227 386 S C 1.720 176.293 174.600 -0.045 0.000 0.986 386 S CA 0.680 58.845 58.200 -0.059 0.000 0.929 386 S CB -0.395 62.762 63.200 -0.072 0.000 0.769 386 S HN 0.802 nan 8.310 nan 0.000 0.529 387 G N 0.520 109.299 108.800 -0.035 0.000 2.182 387 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 387 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 387 G C -0.114 174.772 174.900 -0.022 0.000 1.042 387 G CA 0.004 45.089 45.100 -0.025 0.000 0.775 387 G HN 0.715 nan 8.290 nan 0.000 0.501 388 V N 0.738 120.637 119.914 -0.025 0.000 2.455 388 V HA 0.292 4.412 4.120 -0.000 0.000 0.273 388 V C 1.179 177.269 176.094 -0.006 0.000 1.045 388 V CA -0.207 62.081 62.300 -0.020 0.000 0.976 388 V CB 1.526 33.331 31.823 -0.031 0.000 0.993 388 V HN 0.341 nan 8.190 nan 0.000 0.475 389 E N 2.886 123.086 120.200 0.001 0.000 2.479 389 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 389 E C 0.299 176.913 176.600 0.024 0.000 1.049 389 E CA 0.326 56.733 56.400 0.012 0.000 0.870 389 E CB 0.784 30.491 29.700 0.010 0.000 0.944 389 E HN 0.675 nan 8.360 nan 0.000 0.492 390 V N -1.937 117.992 119.914 0.025 0.000 3.113 390 V HA 0.507 4.627 4.120 -0.000 0.000 0.316 390 V C -0.360 175.767 176.094 0.056 0.000 1.125 390 V CA -1.222 61.105 62.300 0.045 0.000 1.026 390 V CB 2.182 34.031 31.823 0.043 0.000 1.080 390 V HN -0.304 nan 8.190 nan 0.000 0.444 391 D N 1.571 122.027 120.400 0.093 0.000 2.304 391 D HA 0.528 5.168 4.640 -0.000 0.000 0.250 391 D C 0.024 176.404 176.300 0.133 0.000 1.107 391 D CA 0.147 54.219 54.000 0.120 0.000 0.885 391 D CB 1.121 42.034 40.800 0.188 0.000 1.192 391 D HN 0.572 nan 8.370 nan 0.000 0.436 392 R N 1.112 121.666 120.500 0.091 0.000 2.902 392 R HA 0.477 4.817 4.340 -0.000 0.000 0.258 392 R C -0.993 175.378 176.300 0.118 0.000 1.071 392 R CA -0.996 55.155 56.100 0.086 0.000 1.024 392 R CB 1.614 31.904 30.300 -0.017 0.000 1.184 392 R HN 0.423 nan 8.270 nan 0.000 0.492 393 Y N 0.868 121.182 120.300 0.022 0.000 2.363 393 Y HA 0.335 4.885 4.550 -0.000 0.000 0.325 393 Y C -1.218 174.664 175.900 -0.030 0.000 0.984 393 Y CA -0.682 57.433 58.100 0.025 0.000 1.248 393 Y CB 1.205 39.742 38.460 0.128 0.000 1.116 393 Y HN 0.196 nan 8.280 nan 0.000 0.470 394 V N 5.367 124.997 119.914 -0.472 0.000 2.407 394 V HA 0.403 4.523 4.120 -0.000 0.000 0.278 394 V C -0.119 175.707 176.094 -0.447 0.000 1.037 394 V CA -0.401 61.646 62.300 -0.422 0.000 0.900 394 V CB 1.383 32.910 31.823 -0.493 0.000 0.983 394 V HN 0.768 nan 8.190 nan 0.000 0.459 395 S N 4.995 120.527 115.700 -0.280 0.000 2.472 395 S HA 0.756 5.226 4.470 -0.000 0.000 0.303 395 S C -1.081 173.419 174.600 -0.166 0.000 1.099 395 S CA -0.452 57.721 58.200 -0.046 0.000 1.077 395 S CB 0.584 63.884 63.200 0.166 0.000 1.031 395 S HN 0.401 nan 8.310 nan 0.000 0.487 396 F N 3.706 123.741 119.950 0.142 0.000 2.427 396 F HA 0.480 5.007 4.527 -0.000 0.000 0.348 396 F C 0.028 175.957 175.800 0.215 0.000 1.125 396 F CA -0.822 57.273 58.000 0.158 0.000 0.989 396 F CB 1.662 40.757 39.000 0.159 0.000 1.165 396 F HN 0.212 nan 8.300 nan 0.000 0.442 397 V N 2.643 122.762 119.914 0.341 0.000 2.539 397 V HA 0.157 4.277 4.120 -0.000 0.000 0.292 397 V C -0.609 175.711 176.094 0.376 0.000 1.045 397 V CA -0.860 61.629 62.300 0.315 0.000 0.945 397 V CB 1.391 33.344 31.823 0.215 0.000 0.993 397 V HN 0.729 nan 8.190 nan 0.000 0.464 398 W N 5.888 127.301 121.300 0.189 0.000 2.272 398 W HA 0.572 5.232 4.660 -0.000 0.000 0.318 398 W C -0.756 175.846 176.519 0.138 0.000 1.255 398 W CA -1.106 56.340 57.345 0.169 0.000 1.200 398 W CB 1.106 30.687 29.460 0.201 0.000 1.170 398 W HN 0.400 nan 8.180 nan 0.000 0.549 399 L N 7.392 128.537 121.223 -0.130 0.000 2.384 399 L HA 0.253 4.593 4.340 -0.000 0.000 0.261 399 L C 0.437 176.950 176.870 -0.595 0.000 1.024 399 L CA -0.223 54.408 54.840 -0.349 0.000 0.899 399 L CB 0.673 42.549 42.059 -0.305 0.000 1.243 399 L HN 0.470 nan 8.230 nan 0.000 0.449 400 T N 2.261 116.049 114.554 -1.276 0.000 2.933 400 T HA 0.165 4.515 4.350 -0.000 0.000 0.306 400 T C 1.395 175.862 174.700 -0.388 0.000 1.045 400 T CA 0.817 62.164 62.100 -1.254 0.000 1.143 400 T CB 0.791 68.587 68.868 -1.786 0.000 1.003 400 T HN 0.813 nan 8.240 nan 0.000 0.540 401 G N 2.643 111.274 108.800 -0.281 0.000 2.551 401 G HA2 0.018 3.978 3.960 -0.000 0.000 0.216 401 G HA3 0.018 3.978 3.960 -0.000 0.000 0.216 401 G C 0.507 174.903 174.900 -0.839 0.000 1.137 401 G CA 0.555 45.338 45.100 -0.528 0.000 0.798 401 G HN 0.851 nan 8.290 nan 0.000 0.536 402 D N -1.372 118.695 120.400 -0.555 0.000 2.819 402 D HA 0.153 4.793 4.640 -0.000 0.000 0.326 402 D C 0.290 176.429 176.300 -0.267 0.000 1.408 402 D CA -0.705 53.004 54.000 -0.485 0.000 0.811 402 D CB -0.775 39.815 40.800 -0.350 0.000 1.148 402 D HN 0.265 nan 8.370 nan 0.000 0.457 403 Q N 0.068 119.690 119.800 -0.296 0.000 2.460 403 Q HA -0.257 4.083 4.340 -0.000 0.000 0.311 403 Q C -0.735 175.212 176.000 -0.088 0.000 1.396 403 Q CA 0.304 56.046 55.803 -0.102 0.000 0.838 403 Q CB -2.444 26.421 28.738 0.212 0.000 1.140 403 Q HN 0.499 nan 8.270 nan 0.000 0.415 404 Y N -2.030 118.172 120.300 -0.163 0.000 3.491 404 Y HA -0.347 4.203 4.550 -0.000 0.000 0.215 404 Y C 0.658 176.571 175.900 0.022 0.000 1.219 404 Y CA 1.395 59.428 58.100 -0.112 0.000 1.485 404 Y CB -2.340 35.899 38.460 -0.369 0.000 1.450 404 Y HN 0.630 nan 8.280 nan 0.000 0.603 405 E N -2.122 118.123 120.200 0.075 0.000 2.957 405 E HA -0.306 4.044 4.350 -0.000 0.000 0.287 405 E C 0.770 177.426 176.600 0.093 0.000 0.976 405 E CA 0.644 57.093 56.400 0.082 0.000 0.907 405 E CB -0.621 29.149 29.700 0.117 0.000 1.456 405 E HN 0.586 nan 8.360 nan 0.000 0.421 406 Q N -1.549 118.316 119.800 0.108 0.000 2.217 406 Q HA 0.306 4.646 4.340 -0.000 0.000 0.217 406 Q C 0.370 176.422 176.000 0.087 0.000 0.844 406 Q CA 0.670 56.542 55.803 0.114 0.000 0.957 406 Q CB 1.102 29.944 28.738 0.174 0.000 1.127 406 Q HN 0.359 nan 8.270 nan 0.000 0.503 407 A N 1.415 124.270 122.820 0.058 0.000 2.520 407 A HA 0.003 4.323 4.320 -0.000 0.000 0.235 407 A C 0.087 177.702 177.584 0.052 0.000 1.065 407 A CA 0.032 52.096 52.037 0.045 0.000 0.764 407 A CB 0.103 19.111 19.000 0.014 0.000 1.002 407 A HN 0.068 nan 8.150 nan 0.000 0.502 408 D N 1.192 121.619 120.400 0.046 0.000 2.619 408 D HA 0.404 5.044 4.640 -0.000 0.000 0.224 408 D C 0.993 177.307 176.300 0.024 0.000 1.133 408 D CA 1.164 55.181 54.000 0.030 0.000 1.017 408 D CB -0.893 39.918 40.800 0.017 0.000 1.077 408 D HN 1.174 nan 8.370 nan 0.000 0.503 409 G N 3.013 111.834 108.800 0.035 0.000 2.289 409 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.280 409 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.280 409 G C 0.119 175.028 174.900 0.015 0.000 1.089 409 G CA -0.238 44.874 45.100 0.019 0.000 0.939 409 G HN 0.489 nan 8.290 nan 0.000 0.499 410 F N 1.748 121.648 119.950 -0.083 0.000 2.563 410 F HA 0.462 4.989 4.527 -0.000 0.000 0.363 410 F C -0.814 174.932 175.800 -0.089 0.000 1.123 410 F CA -1.405 56.525 58.000 -0.115 0.000 1.307 410 F CB 0.784 39.676 39.000 -0.180 0.000 1.115 410 F HN 0.079 nan 8.300 nan 0.000 0.592 411 P HA 0.018 nan 4.420 nan 0.000 0.231 411 P C 0.392 177.554 177.300 -0.230 0.000 1.756 411 P CA 0.240 63.080 63.100 -0.434 0.000 0.990 411 P CB -0.156 31.274 31.700 -0.449 0.000 1.973 412 T N 0.971 115.556 114.554 0.052 0.000 2.708 412 T HA -0.163 4.186 4.350 -0.000 0.000 0.266 412 T C 1.966 176.688 174.700 0.038 0.000 1.037 412 T CA 1.960 64.137 62.100 0.128 0.000 1.146 412 T CB -0.325 68.619 68.868 0.127 0.000 0.865 412 T HN 0.291 nan 8.240 nan 0.000 0.435 413 A N 1.121 123.956 122.820 0.026 0.000 1.933 413 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 413 A C 2.282 179.886 177.584 0.033 0.000 1.175 413 A CA 1.490 53.548 52.037 0.035 0.000 0.628 413 A CB -0.575 18.441 19.000 0.027 0.000 0.814 413 A HN 0.397 nan 8.150 nan 0.000 0.444 414 Q N -0.793 119.004 119.800 -0.004 0.000 2.167 414 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 414 Q C 2.108 178.110 176.000 0.002 0.000 0.970 414 Q CA 1.786 57.586 55.803 -0.005 0.000 0.855 414 Q CB -0.289 28.420 28.738 -0.048 0.000 0.911 414 Q HN 0.855 nan 8.270 nan 0.000 0.438 415 Q N -0.923 118.848 119.800 -0.048 0.000 2.163 415 Q HA 0.001 4.341 4.340 -0.000 0.000 0.198 415 Q C 0.627 176.617 176.000 -0.016 0.000 0.954 415 Q CA 0.951 56.672 55.803 -0.136 0.000 0.851 415 Q CB 0.126 28.661 28.738 -0.338 0.000 0.928 415 Q HN 0.463 nan 8.270 nan 0.000 0.459 416 G N 0.158 109.008 108.800 0.083 0.000 2.148 416 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 416 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 416 G C -0.378 174.737 174.900 0.360 0.000 0.981 416 G CA 0.545 45.825 45.100 0.300 0.000 0.670 416 G HN 0.421 nan 8.290 nan 0.000 0.528 417 W N -2.035 119.267 121.300 0.003 0.000 2.982 417 W HA 0.663 5.323 4.660 -0.000 0.000 0.344 417 W C -1.076 175.421 176.519 -0.035 0.000 1.215 417 W CA -0.411 56.915 57.345 -0.031 0.000 1.182 417 W CB 0.479 29.829 29.460 -0.184 0.000 1.437 417 W HN 0.536 nan 8.180 nan 0.000 0.570 418 T N 1.588 116.287 114.554 0.241 0.000 3.172 418 T HA 0.599 4.949 4.350 -0.000 0.000 0.320 418 T C -0.036 174.819 174.700 0.257 0.000 1.085 418 T CA 0.490 62.585 62.100 -0.008 0.000 1.052 418 T CB 1.128 69.974 68.868 -0.037 0.000 1.107 418 T HN 1.616 nan 8.240 nan 0.000 0.458 419 G N 1.845 110.782 108.800 0.228 0.000 2.781 419 G HA2 0.264 4.224 3.960 -0.000 0.000 0.683 419 G HA3 0.264 4.224 3.960 -0.000 0.000 0.683 419 G C -0.418 174.811 174.900 0.548 0.000 1.390 419 G CA -0.135 45.225 45.100 0.434 0.000 0.850 419 G HN 1.396 nan 8.290 nan 0.000 0.557 420 S N -1.271 114.678 115.700 0.416 0.000 2.595 420 S HA 0.666 5.136 4.470 -0.000 0.000 0.270 420 S C -0.506 174.226 174.600 0.221 0.000 1.145 420 S CA -0.450 57.890 58.200 0.233 0.000 0.825 420 S CB 1.060 64.354 63.200 0.157 0.000 1.107 420 S HN 1.119 nan 8.310 nan 0.000 0.461 421 L N 2.917 124.249 121.223 0.181 0.000 2.399 421 L HA 0.557 4.897 4.340 -0.000 0.000 0.265 421 L C -0.030 177.008 176.870 0.281 0.000 1.089 421 L CA -0.894 54.099 54.840 0.254 0.000 0.802 421 L CB 0.860 43.055 42.059 0.227 0.000 1.180 421 L HN 0.610 nan 8.230 nan 0.000 0.454 422 L N 1.171 122.557 121.223 0.272 0.000 2.469 422 L HA 0.364 4.704 4.340 -0.000 0.000 0.253 422 L C 0.024 177.029 176.870 0.225 0.000 1.143 422 L CA -0.900 54.105 54.840 0.275 0.000 0.804 422 L CB 0.705 42.858 42.059 0.156 0.000 1.214 422 L HN 0.374 nan 8.230 nan 0.000 0.476 423 L N 1.427 122.720 121.223 0.117 0.000 2.525 423 L HA 0.081 4.421 4.340 -0.000 0.000 0.278 423 L C -2.052 174.807 176.870 -0.019 0.000 1.218 423 L CA -1.562 53.263 54.840 -0.025 0.000 0.878 423 L CB -0.148 41.902 42.059 -0.014 0.000 1.127 423 L HN 0.255 nan 8.230 nan 0.000 0.492 424 P HA 0.073 nan 4.420 nan 0.000 0.262 424 P C -0.998 176.134 177.300 -0.280 0.000 1.182 424 P CA 0.373 63.194 63.100 -0.465 0.000 0.761 424 P CB 0.442 31.861 31.700 -0.469 0.000 0.795 425 R N 2.283 122.617 120.500 -0.277 0.000 2.599 425 R HA 0.345 4.685 4.340 -0.000 0.000 0.295 425 R C -0.198 176.024 176.300 -0.129 0.000 0.963 425 R CA -0.765 55.263 56.100 -0.120 0.000 0.883 425 R CB 1.917 32.228 30.300 0.019 0.000 1.171 425 R HN 0.462 nan 8.270 nan 0.000 0.450 426 E N 2.223 122.364 120.200 -0.098 0.000 2.313 426 E HA 0.203 4.553 4.350 -0.000 0.000 0.276 426 E C -0.840 175.739 176.600 -0.035 0.000 1.031 426 E CA -0.473 55.884 56.400 -0.071 0.000 0.857 426 E CB 0.926 30.580 29.700 -0.076 0.000 1.040 426 E HN 0.003 nan 8.360 nan 0.000 0.408 427 L N 4.063 125.288 121.223 0.004 0.000 2.356 427 L HA 0.441 4.781 4.340 -0.000 0.000 0.277 427 L C -0.196 176.590 176.870 -0.141 0.000 0.996 427 L CA -0.233 54.562 54.840 -0.073 0.000 0.822 427 L CB 1.206 43.246 42.059 -0.031 0.000 1.256 427 L HN 0.564 nan 8.230 nan 0.000 0.413 428 K N 1.388 121.639 120.400 -0.249 0.000 2.428 428 K HA 0.717 5.037 4.320 -0.000 0.000 0.279 428 K C -1.583 174.801 176.600 -0.360 0.000 1.041 428 K CA -0.946 55.183 56.287 -0.264 0.000 0.887 428 K CB 1.400 33.826 32.500 -0.124 0.000 1.535 428 K HN 0.015 nan 8.250 nan 0.000 0.417 429 V N 1.799 121.560 119.914 -0.255 0.000 2.432 429 V HA 0.185 4.305 4.120 -0.000 0.000 0.271 429 V C -0.479 175.574 176.094 -0.067 0.000 1.046 429 V CA -0.133 62.076 62.300 -0.153 0.000 0.945 429 V CB 0.790 32.602 31.823 -0.018 0.000 0.992 429 V HN 0.674 nan 8.190 nan 0.000 0.471 430 Q N 3.987 123.765 119.800 -0.036 0.000 2.282 430 Q HA 0.572 4.912 4.340 -0.000 0.000 0.260 430 Q C -0.178 175.843 176.000 0.035 0.000 0.964 430 Q CA -0.378 55.425 55.803 0.001 0.000 0.880 430 Q CB 1.813 30.559 28.738 0.014 0.000 1.286 430 Q HN 0.927 nan 8.270 nan 0.000 0.445 431 T N -0.264 114.304 114.554 0.023 0.000 2.925 431 T HA 0.764 5.114 4.350 -0.000 0.000 0.285 431 T C -0.676 174.026 174.700 0.003 0.000 1.021 431 T CA -0.796 61.315 62.100 0.018 0.000 1.042 431 T CB 1.261 70.134 68.868 0.009 0.000 1.037 431 T HN 0.304 nan 8.240 nan 0.000 0.481 432 V N 2.639 122.534 119.914 -0.031 0.000 2.349 432 V HA 0.380 4.500 4.120 -0.000 0.000 0.284 432 V C 0.004 176.047 176.094 -0.086 0.000 1.014 432 V CA -0.770 61.494 62.300 -0.060 0.000 0.826 432 V CB 0.805 32.552 31.823 -0.127 0.000 1.009 432 V HN 0.959 nan 8.190 nan 0.000 0.431 433 E N 2.714 122.884 120.200 -0.050 0.000 2.280 433 E HA 0.414 4.764 4.350 -0.000 0.000 0.264 433 E C 0.189 176.760 176.600 -0.049 0.000 1.064 433 E CA -0.557 55.815 56.400 -0.047 0.000 0.900 433 E CB 0.515 30.201 29.700 -0.024 0.000 1.123 433 E HN 0.753 nan 8.360 nan 0.000 0.418 434 N N -0.835 117.839 118.700 -0.043 0.000 2.740 434 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 434 N C -1.211 174.274 175.510 -0.042 0.000 1.062 434 N CA -0.245 52.785 53.050 -0.033 0.000 0.704 434 N CB -1.057 37.420 38.487 -0.017 0.000 0.968 434 N HN 0.025 nan 8.380 nan 0.000 0.547 435 V N 1.075 120.941 119.914 -0.081 0.000 2.432 435 V HA 0.213 4.333 4.120 -0.000 0.000 0.275 435 V C 0.969 177.025 176.094 -0.063 0.000 1.043 435 V CA -0.709 61.528 62.300 -0.106 0.000 0.925 435 V CB 1.725 33.379 31.823 -0.281 0.000 0.985 435 V HN 0.025 nan 8.190 nan 0.000 0.466 436 V N 4.466 124.372 119.914 -0.015 0.000 2.458 436 V HA -0.011 4.109 4.120 -0.000 0.000 0.287 436 V C 0.957 177.056 176.094 0.008 0.000 1.009 436 V CA 0.115 62.419 62.300 0.006 0.000 1.091 436 V CB 0.530 32.371 31.823 0.030 0.000 0.960 436 V HN 0.916 nan 8.190 nan 0.000 0.476 437 D N 5.383 125.784 120.400 0.002 0.000 2.482 437 D HA 0.031 4.671 4.640 -0.000 0.000 0.244 437 D C 0.233 176.558 176.300 0.042 0.000 1.242 437 D CA 0.087 54.095 54.000 0.014 0.000 1.097 437 D CB -0.118 40.688 40.800 0.009 0.000 1.109 437 D HN 0.846 nan 8.370 nan 0.000 0.510 438 N N 0.270 119.011 118.700 0.069 0.000 3.091 438 N HA 0.196 4.936 4.740 -0.000 0.000 0.329 438 N C 0.850 176.431 175.510 0.118 0.000 1.430 438 N CA -0.640 52.459 53.050 0.082 0.000 0.755 438 N CB 0.388 38.921 38.487 0.078 0.000 1.626 438 N HN -0.272 nan 8.380 nan 0.000 0.614 439 E N -0.055 120.212 120.200 0.112 0.000 2.169 439 E HA -0.167 4.183 4.350 -0.000 0.000 0.202 439 E C 1.442 178.163 176.600 0.202 0.000 1.016 439 E CA 1.468 57.949 56.400 0.134 0.000 0.817 439 E CB -0.582 29.185 29.700 0.111 0.000 0.736 439 E HN 0.534 nan 8.360 nan 0.000 0.462 440 L N -0.360 120.998 121.223 0.225 0.000 2.265 440 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 440 L C 1.907 179.071 176.870 0.490 0.000 1.117 440 L CA 0.615 55.644 54.840 0.315 0.000 0.782 440 L CB -0.159 42.063 42.059 0.271 0.000 0.914 440 L HN 0.083 nan 8.230 nan 0.000 0.441 441 V N -1.373 118.769 119.914 0.380 0.000 3.125 441 V HA 0.021 4.141 4.120 -0.000 0.000 0.249 441 V C 2.067 178.405 176.094 0.406 0.000 1.113 441 V CA 0.675 63.210 62.300 0.391 0.000 1.106 441 V CB -0.172 31.709 31.823 0.096 0.000 0.768 441 V HN 0.327 nan 8.190 nan 0.000 0.468 442 R N 0.563 121.213 120.500 0.249 0.000 2.317 442 R HA 0.195 4.535 4.340 -0.000 0.000 0.208 442 R C 0.857 177.225 176.300 0.115 0.000 0.914 442 R CA -0.161 56.032 56.100 0.155 0.000 1.060 442 R CB -0.237 30.123 30.300 0.101 0.000 1.015 442 R HN 0.610 nan 8.270 nan 0.000 0.498 443 E N 1.753 122.051 120.200 0.162 0.000 2.459 443 E HA -0.083 4.267 4.350 -0.000 0.000 0.264 443 E C -0.515 176.069 176.600 -0.028 0.000 1.055 443 E CA 0.332 56.794 56.400 0.102 0.000 0.957 443 E CB 0.649 30.465 29.700 0.194 0.000 0.952 443 E HN 0.087 nan 8.360 nan 0.000 0.448 444 E N 1.046 121.221 120.200 -0.042 0.000 2.313 444 E HA 0.245 4.595 4.350 -0.000 0.000 0.272 444 E C 0.048 176.520 176.600 -0.213 0.000 1.038 444 E CA 0.250 56.569 56.400 -0.136 0.000 0.863 444 E CB 1.207 30.833 29.700 -0.124 0.000 1.060 444 E HN 0.819 nan 8.360 nan 0.000 0.402 445 G N 1.405 109.977 108.800 -0.380 0.000 2.359 445 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.298 445 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.298 445 G C 0.192 174.954 174.900 -0.230 0.000 1.030 445 G CA 0.505 45.244 45.100 -0.602 0.000 1.149 445 G HN 0.367 nan 8.290 nan 0.000 0.512 446 V N -3.236 116.458 119.914 -0.366 0.000 3.345 446 V HA 0.897 5.017 4.120 -0.000 0.000 0.308 446 V C 1.095 176.871 176.094 -0.529 0.000 1.168 446 V CA 0.129 61.836 62.300 -0.988 0.000 1.024 446 V CB 1.732 32.222 31.823 -2.221 0.000 1.211 446 V HN 0.437 nan 8.190 nan 0.000 0.461 447 S N 0.659 115.953 115.700 -0.676 0.000 2.622 447 S HA 0.343 4.813 4.470 -0.000 0.000 0.236 447 S C -0.494 174.333 174.600 0.378 0.000 0.956 447 S CA -0.232 57.977 58.200 0.015 0.000 0.971 447 S CB -0.880 62.610 63.200 0.483 0.000 0.782 447 S HN 0.893 nan 8.310 nan 0.000 0.468 448 W N -0.121 121.284 121.300 0.176 0.000 3.137 448 W HA 0.701 5.361 4.660 -0.000 0.000 0.324 448 W C -1.393 175.179 176.519 0.089 0.000 1.253 448 W CA -1.475 55.972 57.345 0.169 0.000 1.183 448 W CB 0.431 29.976 29.460 0.142 0.000 1.424 448 W HN -0.092 nan 8.180 nan 0.000 0.566 449 V N -0.105 119.992 119.914 0.305 0.000 2.914 449 V HA 0.825 4.945 4.120 -0.000 0.000 0.314 449 V C -0.864 175.342 176.094 0.187 0.000 1.084 449 V CA -1.410 60.995 62.300 0.175 0.000 0.963 449 V CB 1.220 33.097 31.823 0.090 0.000 1.025 449 V HN 0.644 nan 8.190 nan 0.000 0.432 450 V N 3.304 123.294 119.914 0.126 0.000 2.461 450 V HA 0.452 4.572 4.120 -0.000 0.000 0.275 450 V C 1.514 177.634 176.094 0.044 0.000 1.047 450 V CA 0.994 63.338 62.300 0.073 0.000 0.955 450 V CB 0.770 32.625 31.823 0.053 0.000 0.988 450 V HN 1.205 nan 8.190 nan 0.000 0.471 451 G N 4.386 113.204 108.800 0.029 0.000 2.494 451 G HA2 0.148 4.108 3.960 -0.000 0.000 0.216 451 G HA3 0.148 4.108 3.960 -0.000 0.000 0.216 451 G C 0.311 175.218 174.900 0.012 0.000 1.140 451 G CA 0.669 45.782 45.100 0.023 0.000 0.801 451 G HN 0.825 nan 8.290 nan 0.000 0.536 452 E N -2.350 117.853 120.200 0.004 0.000 2.392 452 E HA 0.570 4.920 4.350 -0.000 0.000 0.281 452 E C -1.483 175.114 176.600 -0.005 0.000 1.088 452 E CA -0.920 55.480 56.400 0.001 0.000 0.850 452 E CB 1.155 30.854 29.700 -0.001 0.000 1.267 452 E HN 0.053 nan 8.360 nan 0.000 0.438 453 S N -0.106 115.592 115.700 -0.003 0.000 2.622 453 S HA 0.294 4.764 4.470 -0.000 0.000 0.275 453 S C -1.700 172.900 174.600 -0.001 0.000 1.112 453 S CA -0.528 57.669 58.200 -0.005 0.000 0.837 453 S CB 1.252 64.450 63.200 -0.002 0.000 1.082 453 S HN 0.587 nan 8.310 nan 0.000 0.456 454 D N 2.046 122.445 120.400 -0.002 0.000 2.571 454 D HA 0.308 4.948 4.640 -0.000 0.000 0.239 454 D C 0.252 176.553 176.300 0.003 0.000 1.267 454 D CA -0.287 53.713 54.000 0.001 0.000 0.823 454 D CB 0.091 40.891 40.800 -0.000 0.000 1.056 454 D HN 0.572 nan 8.370 nan 0.000 0.494 455 N N 0.477 119.180 118.700 0.004 0.000 2.955 455 N HA -0.230 4.510 4.740 -0.000 0.000 0.230 455 N C 1.306 176.821 175.510 0.008 0.000 0.891 455 N CA 1.773 54.828 53.050 0.008 0.000 1.002 455 N CB -0.614 37.878 38.487 0.009 0.000 1.063 455 N HN 0.398 nan 8.380 nan 0.000 0.601 456 Q N -0.094 119.708 119.800 0.003 0.000 2.388 456 Q HA 0.214 4.554 4.340 -0.000 0.000 0.204 456 Q C 0.961 176.960 176.000 -0.001 0.000 0.946 456 Q CA 1.385 57.190 55.803 0.003 0.000 0.880 456 Q CB -0.018 28.721 28.738 0.002 0.000 0.997 456 Q HN 0.437 nan 8.270 nan 0.000 0.552 457 T N -2.102 112.447 114.554 -0.008 0.000 2.933 457 T HA 0.877 5.227 4.350 -0.000 0.000 0.305 457 T C -1.073 173.611 174.700 -0.026 0.000 1.092 457 T CA -0.425 61.664 62.100 -0.018 0.000 1.008 457 T CB 2.004 70.862 68.868 -0.016 0.000 1.102 457 T HN 0.467 nan 8.240 nan 0.000 0.469 458 A N 1.586 124.378 122.820 -0.047 0.000 2.566 458 A HA 0.851 5.171 4.320 -0.000 0.000 0.292 458 A C -0.258 177.281 177.584 -0.076 0.000 1.112 458 A CA -0.976 51.031 52.037 -0.051 0.000 0.707 458 A CB 1.622 20.594 19.000 -0.047 0.000 1.302 458 A HN 0.889 nan 8.150 nan 0.000 0.409 459 T N 1.585 116.105 114.554 -0.057 0.000 2.767 459 T HA 0.542 4.892 4.350 -0.000 0.000 0.284 459 T C -0.502 174.159 174.700 -0.064 0.000 0.973 459 T CA -0.076 61.988 62.100 -0.060 0.000 0.996 459 T CB 0.391 69.242 68.868 -0.028 0.000 0.927 459 T HN 0.354 nan 8.240 nan 0.000 0.456 460 L N 3.311 124.471 121.223 -0.105 0.000 2.352 460 L HA 0.610 4.950 4.340 -0.000 0.000 0.269 460 L C 0.520 177.402 176.870 0.020 0.000 1.034 460 L CA -0.380 54.415 54.840 -0.075 0.000 0.806 460 L CB 0.986 42.879 42.059 -0.276 0.000 1.244 460 L HN 0.501 nan 8.230 nan 0.000 0.447 461 R N 0.160 120.729 120.500 0.114 0.000 2.532 461 R HA 0.717 5.057 4.340 -0.000 0.000 0.297 461 R C -0.832 175.622 176.300 0.256 0.000 0.984 461 R CA -0.528 55.661 56.100 0.149 0.000 0.884 461 R CB 2.191 32.569 30.300 0.131 0.000 1.182 461 R HN 0.673 nan 8.270 nan 0.000 0.442 462 T N 1.352 116.052 114.554 0.243 0.000 2.731 462 T HA 0.349 4.699 4.350 -0.000 0.000 0.300 462 T C -1.694 173.064 174.700 0.096 0.000 1.283 462 T CA -0.696 61.596 62.100 0.319 0.000 1.005 462 T CB 1.209 70.331 68.868 0.424 0.000 1.420 462 T HN 0.325 nan 8.240 nan 0.000 0.503 463 L N 2.417 123.518 121.223 -0.203 0.000 2.360 463 L HA 0.671 5.011 4.340 -0.000 0.000 0.276 463 L C 0.616 177.315 176.870 -0.286 0.000 1.121 463 L CA 0.325 54.823 54.840 -0.570 0.000 0.845 463 L CB 0.174 41.345 42.059 -1.480 0.000 1.143 463 L HN 0.703 nan 8.230 nan 0.000 0.452 464 G N 6.502 115.152 108.800 -0.250 0.000 2.353 464 G HA2 0.562 4.522 3.960 -0.000 0.000 0.284 464 G HA3 0.562 4.522 3.960 -0.000 0.000 0.284 464 G C -0.713 174.126 174.900 -0.102 0.000 1.172 464 G CA -0.463 44.571 45.100 -0.110 0.000 0.854 464 G HN 0.653 nan 8.290 nan 0.000 0.485 465 I N 2.292 122.864 120.570 0.003 0.000 2.468 465 I HA 0.377 4.547 4.170 -0.000 0.000 0.284 465 I C -0.046 176.135 176.117 0.107 0.000 1.038 465 I CA -0.588 60.743 61.300 0.053 0.000 1.083 465 I CB 2.232 40.303 38.000 0.117 0.000 1.223 465 I HN 0.602 nan 8.210 nan 0.000 0.443 466 T N 2.895 117.470 114.554 0.035 0.000 2.896 466 T HA 0.645 4.995 4.350 -0.000 0.000 0.297 466 T C -0.252 174.375 174.700 -0.121 0.000 1.108 466 T CA -0.817 61.255 62.100 -0.047 0.000 1.004 466 T CB 1.684 70.513 68.868 -0.065 0.000 1.159 466 T HN 0.245 nan 8.240 nan 0.000 0.499 467 I N 2.071 122.460 120.570 -0.302 0.000 2.710 467 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 467 I C 1.402 177.416 176.117 -0.173 0.000 1.181 467 I CA -0.440 60.697 61.300 -0.272 0.000 1.430 467 I CB 0.357 38.131 38.000 -0.376 0.000 1.367 467 I HN 0.967 nan 8.210 nan 0.000 0.577 468 A N 7.134 129.862 122.820 -0.153 0.000 2.566 468 A HA -0.021 4.299 4.320 -0.000 0.000 0.245 468 A C 1.717 179.223 177.584 -0.131 0.000 1.056 468 A CA -0.038 51.909 52.037 -0.150 0.000 0.757 468 A CB 0.015 18.909 19.000 -0.175 0.000 0.979 468 A HN 0.980 nan 8.150 nan 0.000 0.508 469 R N 1.876 122.305 120.500 -0.119 0.000 2.117 469 R HA -0.237 4.103 4.340 -0.000 0.000 0.243 469 R C 0.891 177.124 176.300 -0.112 0.000 1.143 469 R CA 2.178 58.214 56.100 -0.107 0.000 0.968 469 R CB -0.366 29.880 30.300 -0.090 0.000 0.863 469 R HN 0.730 nan 8.270 nan 0.000 0.444 470 E N 0.492 120.620 120.200 -0.120 0.000 2.152 470 E HA -0.052 4.298 4.350 -0.000 0.000 0.192 470 E C 1.949 178.457 176.600 -0.153 0.000 0.983 470 E CA 1.809 58.128 56.400 -0.136 0.000 0.818 470 E CB -0.072 29.544 29.700 -0.140 0.000 0.758 470 E HN 0.382 nan 8.360 nan 0.000 0.467 471 T N 0.641 115.125 114.554 -0.116 0.000 2.737 471 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 471 T C 1.788 176.440 174.700 -0.080 0.000 1.038 471 T CA 1.325 63.383 62.100 -0.071 0.000 1.144 471 T CB -0.124 68.734 68.868 -0.018 0.000 0.866 471 T HN 0.079 nan 8.240 nan 0.000 0.434 472 K N 1.045 121.388 120.400 -0.096 0.000 2.097 472 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 472 K C 2.466 179.010 176.600 -0.094 0.000 1.049 472 K CA 1.185 57.418 56.287 -0.090 0.000 0.933 472 K CB -0.298 32.134 32.500 -0.112 0.000 0.717 472 K HN 0.273 nan 8.250 nan 0.000 0.442 473 A N 1.012 123.759 122.820 -0.121 0.000 1.877 473 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 473 A C 2.324 179.797 177.584 -0.185 0.000 1.186 473 A CA 1.896 53.855 52.037 -0.130 0.000 0.620 473 A CB -0.840 18.081 19.000 -0.131 0.000 0.822 473 A HN 0.475 nan 8.150 nan 0.000 0.443 474 A N -0.523 122.113 122.820 -0.306 0.000 1.969 474 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 474 A C 2.096 179.414 177.584 -0.444 0.000 1.169 474 A CA 1.329 53.010 52.037 -0.594 0.000 0.635 474 A CB -0.537 17.770 19.000 -1.156 0.000 0.810 474 A HN 0.472 nan 8.150 nan 0.000 0.445 475 L N -1.203 119.946 121.223 -0.123 0.000 2.201 475 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 475 L C 0.556 177.474 176.870 0.079 0.000 1.105 475 L CA 0.776 55.699 54.840 0.139 0.000 0.775 475 L CB -0.167 41.972 42.059 0.132 0.000 0.913 475 L HN 0.386 nan 8.230 nan 0.000 0.440 476 L N -2.342 118.880 121.223 -0.001 0.000 3.186 476 L HA 0.409 4.749 4.340 -0.000 0.000 0.292 476 L C 1.115 177.972 176.870 -0.021 0.000 1.303 476 L CA -0.127 54.717 54.840 0.008 0.000 0.940 476 L CB 0.249 42.316 42.059 0.012 0.000 1.358 476 L HN -0.116 nan 8.230 nan 0.000 0.581 477 A N 0.076 122.868 122.820 -0.045 0.000 1.942 477 A HA 0.211 4.531 4.320 -0.000 0.000 0.209 477 A C 1.472 179.041 177.584 -0.026 0.000 1.214 477 A CA 0.495 52.497 52.037 -0.058 0.000 0.686 477 A CB 0.129 19.062 19.000 -0.111 0.000 0.871 477 A HN 0.430 nan 8.150 nan 0.000 0.460 478 N N 0.251 118.949 118.700 -0.004 0.000 2.291 478 N HA 0.154 4.894 4.740 -0.000 0.000 0.244 478 N C 0.363 175.895 175.510 0.037 0.000 1.216 478 N CA 0.362 53.420 53.050 0.014 0.000 0.879 478 N CB 0.947 39.444 38.487 0.016 0.000 1.167 478 N HN 0.344 nan 8.380 nan 0.000 0.515 479 G N 0.244 109.072 108.800 0.047 0.000 2.444 479 G HA2 0.171 4.131 3.960 -0.000 0.000 0.268 479 G HA3 0.171 4.131 3.960 -0.000 0.000 0.268 479 G C -0.113 174.821 174.900 0.057 0.000 1.203 479 G CA -0.092 45.049 45.100 0.069 0.000 0.835 479 G HN 0.050 nan 8.290 nan 0.000 0.543 480 S N -0.039 115.700 115.700 0.065 0.000 2.523 480 S HA 0.359 4.829 4.470 -0.000 0.000 0.275 480 S C 0.115 174.746 174.600 0.053 0.000 1.281 480 S CA -0.614 57.617 58.200 0.051 0.000 1.050 480 S CB 0.530 63.760 63.200 0.051 0.000 0.937 480 S HN 0.428 nan 8.310 nan 0.000 0.492 481 V N 5.569 125.507 119.914 0.040 0.000 2.370 481 V HA 0.463 4.583 4.120 -0.000 0.000 0.283 481 V C 0.027 176.139 176.094 0.031 0.000 1.023 481 V CA -0.543 61.780 62.300 0.038 0.000 0.857 481 V CB 1.495 33.337 31.823 0.031 0.000 0.985 481 V HN 0.942 nan 8.190 nan 0.000 0.443 482 T N 4.556 119.130 114.554 0.033 0.000 2.906 482 T HA 0.666 5.016 4.350 -0.000 0.000 0.302 482 T C 0.088 174.797 174.700 0.014 0.000 1.002 482 T CA -0.211 61.904 62.100 0.024 0.000 0.988 482 T CB 1.455 70.341 68.868 0.031 0.000 0.972 482 T HN 0.887 nan 8.240 nan 0.000 0.447 483 A N 3.182 126.000 122.820 -0.002 0.000 2.264 483 A HA 0.800 5.120 4.320 -0.000 0.000 0.304 483 A C -0.108 177.435 177.584 -0.069 0.000 1.100 483 A CA -0.643 51.379 52.037 -0.024 0.000 0.839 483 A CB 0.600 19.596 19.000 -0.008 0.000 1.121 483 A HN 0.634 nan 8.150 nan 0.000 0.496 484 E N 0.967 121.102 120.200 -0.109 0.000 2.248 484 E HA 0.267 4.617 4.350 -0.000 0.000 0.267 484 E C -0.905 175.672 176.600 -0.039 0.000 0.877 484 E CA -0.755 55.559 56.400 -0.144 0.000 0.759 484 E CB 1.512 30.974 29.700 -0.397 0.000 1.182 484 E HN 0.622 nan 8.360 nan 0.000 0.418 485 E N 1.705 121.886 120.200 -0.031 0.000 2.442 485 E HA -0.003 4.347 4.350 -0.000 0.000 0.262 485 E C -0.314 176.273 176.600 -0.020 0.000 1.004 485 E CA 0.207 56.592 56.400 -0.026 0.000 0.928 485 E CB 0.533 30.208 29.700 -0.042 0.000 0.937 485 E HN 0.282 nan 8.360 nan 0.000 0.446 486 D N 1.797 122.194 120.400 -0.005 0.000 2.443 486 D HA 0.013 4.652 4.640 -0.000 0.000 0.234 486 D C 0.572 176.835 176.300 -0.061 0.000 1.172 486 D CA 0.808 54.815 54.000 0.011 0.000 0.878 486 D CB 0.655 41.460 40.800 0.008 0.000 1.204 486 D HN 0.265 nan 8.370 nan 0.000 0.453 487 R N -0.299 120.165 120.500 -0.060 0.000 2.707 487 R HA 0.448 4.788 4.340 -0.000 0.000 0.272 487 R C -1.558 174.715 176.300 -0.045 0.000 1.011 487 R CA -0.581 55.418 56.100 -0.169 0.000 0.893 487 R CB 1.633 31.594 30.300 -0.565 0.000 1.233 487 R HN 0.341 nan 8.270 nan 0.000 0.464 488 T N 3.986 118.485 114.554 -0.090 0.000 2.841 488 T HA 0.473 4.822 4.350 -0.000 0.000 0.285 488 T C -0.869 173.764 174.700 -0.113 0.000 0.991 488 T CA -0.535 61.511 62.100 -0.090 0.000 0.966 488 T CB 0.989 69.799 68.868 -0.096 0.000 0.962 488 T HN 0.297 nan 8.240 nan 0.000 0.438 489 L N 3.266 124.391 121.223 -0.164 0.000 2.362 489 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 489 L C 0.817 177.469 176.870 -0.364 0.000 0.998 489 L CA -0.570 54.140 54.840 -0.217 0.000 0.820 489 L CB 2.100 44.055 42.059 -0.173 0.000 1.270 489 L HN 0.700 nan 8.230 nan 0.000 0.415 490 Q N 0.415 120.142 119.800 -0.122 0.000 2.644 490 Q HA 0.121 4.461 4.340 -0.000 0.000 0.220 490 Q C 0.502 176.609 176.000 0.178 0.000 0.866 490 Q CA 0.166 55.968 55.803 -0.002 0.000 0.915 490 Q CB 0.497 29.233 28.738 -0.003 0.000 1.191 490 Q HN 0.788 nan 8.270 nan 0.000 0.641 491 T N -0.383 114.242 114.554 0.119 0.000 2.828 491 T HA 0.579 4.929 4.350 -0.000 0.000 0.290 491 T C 0.282 175.077 174.700 0.158 0.000 1.019 491 T CA -0.463 61.702 62.100 0.108 0.000 1.031 491 T CB 1.084 69.984 68.868 0.053 0.000 1.001 491 T HN 0.257 nan 8.240 nan 0.000 0.531 492 A N 0.955 123.809 122.820 0.056 0.000 2.511 492 A HA 0.603 4.923 4.320 -0.000 0.000 0.242 492 A C 0.536 178.159 177.584 0.064 0.000 1.069 492 A CA -0.044 51.998 52.037 0.007 0.000 0.763 492 A CB -1.024 17.958 19.000 -0.031 0.000 1.001 492 A HN 1.770 nan 8.150 nan 0.000 0.498 493 A N 1.508 124.380 122.820 0.086 0.000 2.597 493 A HA 0.599 4.919 4.320 -0.000 0.000 0.292 493 A C -1.308 176.390 177.584 0.191 0.000 1.057 493 A CA -0.374 51.735 52.037 0.121 0.000 0.674 493 A CB 1.027 20.087 19.000 0.100 0.000 1.278 493 A HN 1.454 nan 8.150 nan 0.000 0.416 494 V N 1.594 121.627 119.914 0.198 0.000 2.357 494 V HA 0.456 4.576 4.120 -0.000 0.000 0.281 494 V C -0.698 175.519 176.094 0.206 0.000 1.015 494 V CA -0.473 61.976 62.300 0.249 0.000 0.827 494 V CB 1.210 33.162 31.823 0.215 0.000 1.018 494 V HN 0.732 nan 8.190 nan 0.000 0.432 495 V N 7.656 127.727 119.914 0.260 0.000 2.347 495 V HA 0.418 4.538 4.120 -0.000 0.000 0.280 495 V C -2.007 174.308 176.094 0.369 0.000 1.021 495 V CA -1.922 60.539 62.300 0.267 0.000 0.847 495 V CB 2.004 33.958 31.823 0.219 0.000 0.990 495 V HN 0.637 nan 8.190 nan 0.000 0.444 496 P HA 0.146 nan 4.420 nan 0.000 0.271 496 P C -0.325 177.204 177.300 0.383 0.000 1.216 496 P CA -0.246 62.998 63.100 0.240 0.000 0.776 496 P CB 0.647 32.429 31.700 0.137 0.000 0.881 497 F N 1.446 121.423 119.950 0.044 0.000 2.535 497 F HA 0.081 4.608 4.527 0.000 0.000 0.332 497 F C 2.108 177.938 175.800 0.051 0.000 1.208 497 F CA -0.208 57.815 58.000 0.038 0.000 1.330 497 F CB -0.767 38.178 39.000 -0.092 0.000 1.167 497 F HN 0.433 nan 8.300 nan 0.000 0.597 498 A N 0.948 123.878 122.820 0.184 0.000 1.933 498 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 498 A C 0.698 178.341 177.584 0.097 0.000 1.175 498 A CA 1.302 53.401 52.037 0.104 0.000 0.628 498 A CB -0.368 18.660 19.000 0.048 0.000 0.814 498 A HN 0.681 nan 8.150 nan 0.000 0.444 499 Q N -0.337 119.535 119.800 0.119 0.000 2.263 499 Q HA 0.475 4.815 4.340 -0.000 0.000 0.262 499 Q C -1.523 174.529 176.000 0.087 0.000 0.984 499 Q CA -0.352 55.499 55.803 0.079 0.000 0.813 499 Q CB 1.703 30.471 28.738 0.050 0.000 1.299 499 Q HN 0.326 nan 8.270 nan 0.000 0.428 500 S N 3.540 119.251 115.700 0.019 0.000 2.687 500 S HA 0.647 5.117 4.470 -0.000 0.000 0.283 500 S C -2.350 172.186 174.600 -0.108 0.000 1.170 500 S CA -0.944 57.205 58.200 -0.085 0.000 1.008 500 S CB 1.178 64.297 63.200 -0.135 0.000 1.026 500 S HN 0.565 nan 8.310 nan 0.000 0.541 501 P HA 0.191 nan 4.420 nan 0.000 0.274 501 P C -0.140 177.116 177.300 -0.074 0.000 1.246 501 P CA -0.340 62.671 63.100 -0.148 0.000 0.795 501 P CB 0.640 32.166 31.700 -0.290 0.000 1.006 502 S N -1.551 114.150 115.700 0.002 0.000 2.568 502 S HA 0.234 4.704 4.470 -0.000 0.000 0.232 502 S C 0.529 175.175 174.600 0.077 0.000 0.975 502 S CA -0.250 57.968 58.200 0.030 0.000 0.949 502 S CB -0.624 62.598 63.200 0.036 0.000 0.829 502 S HN 0.614 nan 8.310 nan 0.000 0.479 503 S N 0.611 116.381 115.700 0.118 0.000 2.697 503 S HA 0.565 5.035 4.470 -0.000 0.000 0.289 503 S C -0.612 174.116 174.600 0.214 0.000 1.149 503 S CA -1.045 57.277 58.200 0.203 0.000 0.850 503 S CB 1.206 64.610 63.200 0.340 0.000 1.151 503 S HN 0.162 nan 8.310 nan 0.000 0.491 504 K N 0.191 120.650 120.400 0.098 0.000 2.675 504 K HA 0.315 4.635 4.320 -0.000 0.000 0.213 504 K C -1.389 174.976 176.600 -0.391 0.000 1.074 504 K CA 0.076 56.331 56.287 -0.052 0.000 1.172 504 K CB -0.256 32.114 32.500 -0.217 0.000 0.927 504 K HN 0.479 nan 8.250 nan 0.000 0.471 505 F N 1.883 121.983 119.950 0.250 0.000 2.552 505 F HA 0.345 4.872 4.527 -0.000 0.000 0.369 505 F C -0.394 175.544 175.800 0.230 0.000 1.112 505 F CA -1.294 56.782 58.000 0.126 0.000 1.129 505 F CB 0.545 39.610 39.000 0.109 0.000 1.360 505 F HN -0.034 nan 8.300 nan 0.000 0.473 506 F N -0.207 119.827 119.950 0.140 0.000 2.741 506 F HA 0.866 5.392 4.527 -0.000 0.000 0.313 506 F C -2.033 173.815 175.800 0.081 0.000 1.153 506 F CA -1.661 56.402 58.000 0.104 0.000 0.931 506 F CB 1.155 40.188 39.000 0.055 0.000 1.335 506 F HN -0.154 nan 8.300 nan 0.000 0.460 507 V N 2.582 122.672 119.914 0.293 0.000 2.407 507 V HA 0.556 4.676 4.120 -0.000 0.000 0.291 507 V C -1.128 175.117 176.094 0.250 0.000 1.018 507 V CA -0.538 61.870 62.300 0.179 0.000 0.842 507 V CB 1.384 33.280 31.823 0.122 0.000 0.996 507 V HN 0.808 nan 8.190 nan 0.000 0.426 508 L N 6.024 127.379 121.223 0.221 0.000 2.296 508 L HA 0.890 5.230 4.340 -0.000 0.000 0.286 508 L C 0.224 177.138 176.870 0.073 0.000 1.023 508 L CA 0.441 55.362 54.840 0.135 0.000 0.812 508 L CB 1.876 43.982 42.059 0.079 0.000 1.223 508 L HN 0.836 nan 8.230 nan 0.000 0.421 509 T N 2.485 117.075 114.554 0.059 0.000 2.887 509 T HA 0.998 5.348 4.350 -0.000 0.000 0.288 509 T C -0.490 174.270 174.700 0.100 0.000 1.021 509 T CA -0.218 61.931 62.100 0.082 0.000 1.000 509 T CB 1.801 70.716 68.868 0.078 0.000 1.034 509 T HN 1.190 nan 8.240 nan 0.000 0.467 510 A N 1.780 124.701 122.820 0.169 0.000 2.597 510 A HA 0.678 4.998 4.320 -0.000 0.000 0.292 510 A C -1.731 176.000 177.584 0.245 0.000 1.057 510 A CA -1.074 51.128 52.037 0.274 0.000 0.674 510 A CB 1.445 20.756 19.000 0.519 0.000 1.278 510 A HN 0.807 nan 8.150 nan 0.000 0.416 511 Q N 0.460 120.391 119.800 0.218 0.000 2.310 511 Q HA 0.602 4.942 4.340 -0.000 0.000 0.270 511 Q C -1.742 174.254 176.000 -0.006 0.000 1.025 511 Q CA -0.744 55.113 55.803 0.090 0.000 0.772 511 Q CB 2.319 31.084 28.738 0.045 0.000 1.253 511 Q HN 0.497 nan 8.270 nan 0.000 0.450 512 L N 2.480 123.600 121.223 -0.173 0.000 2.313 512 L HA 0.356 4.696 4.340 -0.000 0.000 0.283 512 L C -0.277 176.169 176.870 -0.707 0.000 1.013 512 L CA -0.017 54.481 54.840 -0.568 0.000 0.816 512 L CB 1.560 43.205 42.059 -0.690 0.000 1.236 512 L HN 0.518 nan 8.230 nan 0.000 0.419 513 E N 3.512 123.285 120.200 -0.711 0.000 2.158 513 E HA 0.535 4.885 4.350 -0.000 0.000 0.271 513 E C -1.319 174.935 176.600 -0.577 0.000 0.911 513 E CA -0.466 55.639 56.400 -0.491 0.000 0.767 513 E CB 1.593 31.144 29.700 -0.248 0.000 1.120 513 E HN 0.198 nan 8.360 nan 0.000 0.405 514 F N 2.875 122.802 119.950 -0.037 0.000 2.507 514 F HA 0.425 4.952 4.527 -0.000 0.000 0.327 514 F C -1.943 173.839 175.800 -0.031 0.000 1.068 514 F CA -2.518 55.487 58.000 0.008 0.000 0.965 514 F CB 1.073 40.197 39.000 0.206 0.000 1.192 514 F HN 0.265 nan 8.300 nan 0.000 0.476 515 P HA 0.238 nan 4.420 nan 0.000 0.282 515 P C -0.103 177.179 177.300 -0.031 0.000 1.249 515 P CA -0.293 62.825 63.100 0.031 0.000 0.806 515 P CB 1.620 33.324 31.700 0.007 0.000 0.984 516 A N 2.800 125.596 122.820 -0.039 0.000 2.032 516 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 516 A C 2.056 179.557 177.584 -0.137 0.000 1.165 516 A CA 2.317 54.309 52.037 -0.076 0.000 0.645 516 A CB -1.587 17.390 19.000 -0.038 0.000 0.807 516 A HN 0.678 nan 8.150 nan 0.000 0.453 517 S N -0.529 115.103 115.700 -0.114 0.000 2.481 517 S HA 0.229 4.699 4.470 -0.000 0.000 0.231 517 S C 1.780 176.263 174.600 -0.195 0.000 0.996 517 S CA 0.856 58.983 58.200 -0.121 0.000 0.942 517 S CB -0.356 62.802 63.200 -0.070 0.000 0.768 517 S HN 0.843 nan 8.310 nan 0.000 0.520 518 A N 2.024 124.663 122.820 -0.301 0.000 2.119 518 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 518 A C 2.268 179.340 177.584 -0.855 0.000 1.152 518 A CA 0.375 52.133 52.037 -0.465 0.000 0.708 518 A CB -0.431 18.320 19.000 -0.416 0.000 0.805 518 A HN 0.493 nan 8.150 nan 0.000 0.460 519 R N 0.504 120.487 120.500 -0.861 0.000 2.096 519 R HA -0.149 4.191 4.340 -0.000 0.000 0.240 519 R C 2.347 178.485 176.300 -0.268 0.000 1.139 519 R CA 1.914 57.604 56.100 -0.683 0.000 0.952 519 R CB -0.396 29.712 30.300 -0.321 0.000 0.854 519 R HN 0.683 nan 8.270 nan 0.000 0.436 520 S N 0.195 115.780 115.700 -0.191 0.000 2.527 520 S HA -0.010 4.460 4.470 -0.000 0.000 0.222 520 S C 1.014 175.571 174.600 -0.072 0.000 0.985 520 S CA 0.007 58.153 58.200 -0.090 0.000 0.921 520 S CB -0.032 63.127 63.200 -0.069 0.000 0.772 520 S HN 0.262 nan 8.310 nan 0.000 0.529 521 S N 1.912 117.550 115.700 -0.103 0.000 2.614 521 S HA 0.422 4.892 4.470 -0.000 0.000 0.265 521 S C -2.637 171.953 174.600 -0.016 0.000 1.303 521 S CA -1.114 57.051 58.200 -0.058 0.000 1.000 521 S CB 0.251 63.413 63.200 -0.063 0.000 0.935 521 S HN 0.048 nan 8.310 nan 0.000 0.551 522 P HA 0.284 nan 4.420 nan 0.000 0.249 522 P C -0.049 177.242 177.300 -0.015 0.000 1.544 522 P CA -0.344 62.750 63.100 -0.011 0.000 0.932 522 P CB -0.179 31.505 31.700 -0.027 0.000 1.524 523 L N 0.545 121.782 121.223 0.024 0.000 2.525 523 L HA 0.011 4.351 4.340 -0.000 0.000 0.278 523 L C -0.130 176.751 176.870 0.018 0.000 1.218 523 L CA 0.818 55.677 54.840 0.032 0.000 0.878 523 L CB 0.211 42.365 42.059 0.157 0.000 1.127 523 L HN 0.082 nan 8.230 nan 0.000 0.492 524 Q N 4.126 123.884 119.800 -0.069 0.000 2.269 524 Q HA 0.426 4.766 4.340 -0.000 0.000 0.263 524 Q C -1.514 174.435 176.000 -0.084 0.000 0.983 524 Q CA -0.540 55.237 55.803 -0.044 0.000 0.777 524 Q CB 2.154 30.758 28.738 -0.223 0.000 1.273 524 Q HN 0.656 nan 8.270 nan 0.000 0.440 525 S N 0.587 116.424 115.700 0.229 0.000 2.547 525 S HA 0.937 5.407 4.470 -0.000 0.000 0.281 525 S C -0.318 174.566 174.600 0.473 0.000 1.118 525 S CA -0.357 58.018 58.200 0.291 0.000 0.947 525 S CB 1.953 65.420 63.200 0.445 0.000 1.053 525 S HN 0.856 nan 8.310 nan 0.000 0.482 526 G N 1.434 110.524 108.800 0.484 0.000 2.637 526 G HA2 0.603 4.563 3.960 -0.000 0.000 0.112 526 G HA3 0.603 4.563 3.960 -0.000 0.000 0.112 526 G C -2.038 172.856 174.900 -0.010 0.000 1.181 526 G CA -0.413 44.914 45.100 0.378 0.000 1.150 526 G HN 0.496 nan 8.290 nan 0.000 0.561 527 F N 0.308 120.536 119.950 0.463 0.000 2.685 527 F HA 0.647 5.174 4.527 -0.000 0.000 0.315 527 F C -0.482 175.405 175.800 0.144 0.000 1.126 527 F CA -0.785 57.361 58.000 0.244 0.000 0.950 527 F CB 2.314 41.364 39.000 0.083 0.000 1.360 527 F HN 0.240 nan 8.300 nan 0.000 0.469 528 E N 2.436 122.778 120.200 0.238 0.000 2.187 528 E HA 0.659 5.009 4.350 -0.000 0.000 0.268 528 E C -1.082 175.531 176.600 0.022 0.000 0.896 528 E CA -0.648 55.803 56.400 0.085 0.000 0.766 528 E CB 2.820 32.537 29.700 0.028 0.000 1.142 528 E HN 0.580 nan 8.360 nan 0.000 0.408 529 I N -1.438 119.151 120.570 0.032 0.000 3.206 529 I HA 0.436 4.606 4.170 -0.000 0.000 0.313 529 I C 0.041 176.186 176.117 0.048 0.000 1.103 529 I CA -1.289 60.023 61.300 0.020 0.000 0.985 529 I CB 1.258 39.332 38.000 0.123 0.000 1.240 529 I HN 0.548 nan 8.210 nan 0.000 0.464 530 L N 0.501 121.774 121.223 0.084 0.000 3.739 530 L HA -0.230 4.110 4.340 -0.000 0.000 0.442 530 L C 0.078 176.986 176.870 0.064 0.000 1.241 530 L CA 0.566 55.462 54.840 0.094 0.000 0.819 530 L CB -1.640 40.481 42.059 0.102 0.000 1.679 530 L HN 0.853 nan 8.230 nan 0.000 0.889 531 A N -0.011 122.823 122.820 0.023 0.000 2.337 531 A HA 0.904 5.224 4.320 -0.000 0.000 0.329 531 A C 0.232 177.826 177.584 0.017 0.000 1.146 531 A CA 0.396 52.446 52.037 0.021 0.000 0.800 531 A CB 1.724 20.723 19.000 -0.002 0.000 1.220 531 A HN 0.434 nan 8.150 nan 0.000 0.472 532 S N 0.269 115.984 115.700 0.025 0.000 2.819 532 S HA 0.434 4.904 4.470 -0.000 0.000 0.299 532 S C 0.731 175.325 174.600 -0.010 0.000 1.192 532 S CA 0.163 58.363 58.200 0.001 0.000 0.847 532 S CB 0.778 63.975 63.200 -0.006 0.000 1.224 532 S HN 0.749 nan 8.310 nan 0.000 0.537 533 E N -0.084 120.093 120.200 -0.038 0.000 2.085 533 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 533 E C 1.285 177.873 176.600 -0.020 0.000 0.994 533 E CA 1.489 57.869 56.400 -0.033 0.000 0.801 533 E CB -0.343 29.324 29.700 -0.054 0.000 0.743 533 E HN 0.636 nan 8.360 nan 0.000 0.453 534 L N 0.102 121.306 121.223 -0.032 0.000 2.592 534 L HA 0.225 4.565 4.340 -0.000 0.000 0.227 534 L C 0.238 177.168 176.870 0.099 0.000 1.127 534 L CA 0.167 55.026 54.840 0.031 0.000 0.884 534 L CB 0.063 42.146 42.059 0.040 0.000 1.065 534 L HN 0.006 nan 8.230 nan 0.000 0.457 535 E N 0.454 120.712 120.200 0.096 0.000 2.390 535 E HA 0.650 5.000 4.350 -0.000 0.000 0.277 535 E C -0.949 175.693 176.600 0.069 0.000 0.939 535 E CA -0.876 55.592 56.400 0.113 0.000 0.769 535 E CB 2.704 32.522 29.700 0.198 0.000 1.251 535 E HN 0.081 nan 8.360 nan 0.000 0.450 536 R N -0.588 119.943 120.500 0.052 0.000 2.739 536 R HA 0.529 4.869 4.340 -0.000 0.000 0.266 536 R C -1.781 174.529 176.300 0.018 0.000 1.044 536 R CA -0.745 55.372 56.100 0.028 0.000 0.885 536 R CB 1.501 31.803 30.300 0.004 0.000 1.260 536 R HN 0.358 nan 8.270 nan 0.000 0.477 537 T N 1.219 115.783 114.554 0.017 0.000 2.881 537 T HA 0.703 5.053 4.350 -0.000 0.000 0.291 537 T C -0.962 173.753 174.700 0.024 0.000 0.990 537 T CA -0.449 61.658 62.100 0.013 0.000 0.976 537 T CB 1.588 70.466 68.868 0.017 0.000 0.970 537 T HN 0.736 nan 8.240 nan 0.000 0.438 538 A N 3.928 126.761 122.820 0.021 0.000 2.305 538 A HA 0.862 5.182 4.320 -0.000 0.000 0.322 538 A C -0.445 177.210 177.584 0.118 0.000 1.187 538 A CA -0.672 51.404 52.037 0.066 0.000 0.825 538 A CB 0.292 19.292 19.000 -0.000 0.000 1.164 538 A HN 0.871 nan 8.150 nan 0.000 0.498 539 I N 3.321 124.020 120.570 0.215 0.000 2.439 539 I HA 0.479 4.649 4.170 -0.000 0.000 0.285 539 I C -1.097 175.229 176.117 0.348 0.000 1.021 539 I CA -0.515 60.886 61.300 0.168 0.000 1.091 539 I CB 1.273 39.396 38.000 0.206 0.000 1.242 539 I HN 0.798 nan 8.210 nan 0.000 0.439 540 Y N 4.451 124.877 120.300 0.209 0.000 2.597 540 Y HA 0.570 5.120 4.550 -0.000 0.000 0.340 540 Y C -1.594 174.401 175.900 0.158 0.000 1.097 540 Y CA -1.553 56.709 58.100 0.269 0.000 1.037 540 Y CB 0.895 39.593 38.460 0.397 0.000 1.305 540 Y HN 0.417 nan 8.280 nan 0.000 0.463 541 Y N 2.256 122.699 120.300 0.238 0.000 2.310 541 Y HA 0.500 5.050 4.550 0.000 0.000 0.326 541 Y C -0.450 175.426 175.900 -0.041 0.000 1.151 541 Y CA -0.444 57.630 58.100 -0.043 0.000 1.195 541 Y CB 1.536 39.913 38.460 -0.139 0.000 1.210 541 Y HN 0.811 nan 8.280 nan 0.000 0.483 542 Q N 4.957 124.190 119.800 -0.943 0.000 2.290 542 Q HA 0.271 4.611 4.340 -0.000 0.000 0.269 542 Q C -0.890 174.621 176.000 -0.815 0.000 1.016 542 Q CA -0.512 54.967 55.803 -0.542 0.000 0.754 542 Q CB 0.824 29.428 28.738 -0.224 0.000 1.247 542 Q HN 0.872 nan 8.270 nan 0.000 0.451 543 F N 0.831 120.568 119.950 -0.354 0.000 2.293 543 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 543 F C 2.491 178.192 175.800 -0.166 0.000 1.089 543 F CA 1.388 59.261 58.000 -0.211 0.000 1.377 543 F CB 0.028 38.960 39.000 -0.114 0.000 1.051 543 F HN 0.698 nan 8.300 nan 0.000 0.511 544 S N 1.094 116.810 115.700 0.026 0.000 2.389 544 S HA -0.284 4.186 4.470 -0.000 0.000 0.231 544 S C 1.340 175.912 174.600 -0.048 0.000 1.052 544 S CA 1.814 60.010 58.200 -0.007 0.000 1.053 544 S CB -0.866 62.321 63.200 -0.022 0.000 0.886 544 S HN 0.586 nan 8.310 nan 0.000 0.456 545 N N 0.550 119.169 118.700 -0.135 0.000 2.365 545 N HA 0.089 4.829 4.740 -0.000 0.000 0.257 545 N C -0.968 174.381 175.510 -0.268 0.000 1.287 545 N CA 0.064 53.009 53.050 -0.176 0.000 0.882 545 N CB -0.771 37.606 38.487 -0.183 0.000 1.250 545 N HN 0.585 nan 8.380 nan 0.000 0.507 546 E N 0.375 120.404 120.200 -0.285 0.000 2.106 546 E HA -0.192 4.158 4.350 -0.000 0.000 0.175 546 E C -1.001 175.309 176.600 -0.483 0.000 1.448 546 E CA 0.607 56.794 56.400 -0.354 0.000 0.672 546 E CB -1.461 28.235 29.700 -0.007 0.000 1.057 546 E HN 0.398 nan 8.360 nan 0.000 0.321 547 S N 0.762 116.009 115.700 -0.755 0.000 2.541 547 S HA 0.497 4.967 4.470 -0.000 0.000 0.280 547 S C -0.204 173.998 174.600 -0.664 0.000 1.112 547 S CA -0.820 57.003 58.200 -0.628 0.000 0.925 547 S CB 1.530 64.448 63.200 -0.471 0.000 1.067 547 S HN 0.255 nan 8.310 nan 0.000 0.479 548 L N 2.844 123.774 121.223 -0.489 0.000 2.276 548 L HA 0.589 4.929 4.340 -0.000 0.000 0.286 548 L C -0.874 175.821 176.870 -0.291 0.000 1.061 548 L CA -0.471 54.180 54.840 -0.315 0.000 0.807 548 L CB 1.098 42.977 42.059 -0.300 0.000 1.177 548 L HN 0.352 nan 8.230 nan 0.000 0.429 549 V N 4.283 123.949 119.914 -0.414 0.000 2.680 549 V HA 0.424 4.544 4.120 -0.000 0.000 0.309 549 V C -0.309 175.523 176.094 -0.437 0.000 1.052 549 V CA -0.690 61.327 62.300 -0.471 0.000 0.908 549 V CB 2.441 33.830 31.823 -0.724 0.000 1.001 549 V HN 0.356 nan 8.190 nan 0.000 0.431 550 V N 3.038 122.811 119.914 -0.235 0.000 2.326 550 V HA 0.349 4.469 4.120 -0.000 0.000 0.281 550 V C -0.460 175.566 176.094 -0.113 0.000 1.015 550 V CA -0.485 61.730 62.300 -0.141 0.000 0.823 550 V CB 1.507 33.287 31.823 -0.072 0.000 1.009 550 V HN 0.909 nan 8.190 nan 0.000 0.436 551 D N 4.745 125.099 120.400 -0.076 0.000 2.339 551 D HA 0.258 4.898 4.640 -0.000 0.000 0.241 551 D C 0.760 177.043 176.300 -0.028 0.000 1.183 551 D CA -0.312 53.683 54.000 -0.009 0.000 0.859 551 D CB 0.956 41.817 40.800 0.102 0.000 1.067 551 D HN 0.458 nan 8.370 nan 0.000 0.484 552 R N 1.906 122.370 120.500 -0.059 0.000 2.507 552 R HA 0.054 4.394 4.340 -0.000 0.000 0.298 552 R C 1.809 178.067 176.300 -0.069 0.000 0.999 552 R CA 0.011 56.062 56.100 -0.083 0.000 1.082 552 R CB 0.324 30.527 30.300 -0.161 0.000 1.246 552 R HN 0.398 nan 8.270 nan 0.000 0.553 553 S N 0.574 116.251 115.700 -0.039 0.000 2.419 553 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 553 S C 1.534 176.122 174.600 -0.021 0.000 1.016 553 S CA 0.997 59.181 58.200 -0.026 0.000 0.974 553 S CB 0.049 63.244 63.200 -0.008 0.000 0.786 553 S HN 0.359 nan 8.310 nan 0.000 0.492 554 Q N -0.123 119.668 119.800 -0.015 0.000 2.155 554 Q HA 0.266 4.606 4.340 -0.000 0.000 0.220 554 Q C 1.035 177.045 176.000 0.016 0.000 0.819 554 Q CA 0.021 55.825 55.803 0.002 0.000 1.032 554 Q CB 0.522 29.262 28.738 0.003 0.000 1.151 554 Q HN 0.481 nan 8.270 nan 0.000 0.487 555 T N 0.119 114.672 114.554 -0.002 0.000 2.652 555 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 555 T C 0.912 175.644 174.700 0.053 0.000 1.039 555 T CA 1.213 63.319 62.100 0.011 0.000 1.153 555 T CB 0.032 68.879 68.868 -0.035 0.000 0.863 555 T HN 0.076 nan 8.240 nan 0.000 0.428 556 S N -0.187 115.535 115.700 0.036 0.000 2.498 556 S HA 0.606 5.076 4.470 -0.000 0.000 0.317 556 S C 0.927 175.571 174.600 0.072 0.000 1.090 556 S CA -0.460 57.793 58.200 0.089 0.000 1.089 556 S CB 1.192 64.424 63.200 0.052 0.000 0.997 556 S HN 0.344 nan 8.310 nan 0.000 0.470 557 A N 4.030 126.922 122.820 0.120 0.000 2.172 557 A HA 0.230 4.550 4.320 -0.000 0.000 0.216 557 A C 1.844 179.378 177.584 -0.083 0.000 1.154 557 A CA 1.399 53.471 52.037 0.059 0.000 0.701 557 A CB -0.473 18.631 19.000 0.173 0.000 0.789 557 A HN 1.077 nan 8.150 nan 0.000 0.465 558 A N -1.109 121.659 122.820 -0.087 0.000 2.220 558 A HA 0.552 4.872 4.320 -0.000 0.000 0.211 558 A C 2.155 179.677 177.584 -0.103 0.000 1.176 558 A CA 1.010 52.940 52.037 -0.180 0.000 0.834 558 A CB -0.438 18.453 19.000 -0.181 0.000 0.868 558 A HN 0.781 nan 8.150 nan 0.000 0.488 559 A N 1.230 124.015 122.820 -0.058 0.000 1.933 559 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 559 A C 0.135 177.679 177.584 -0.067 0.000 1.175 559 A CA 1.712 53.709 52.037 -0.066 0.000 0.628 559 A CB -1.500 17.462 19.000 -0.064 0.000 0.814 559 A HN 0.406 nan 8.150 nan 0.000 0.444 560 P HA -0.149 nan 4.420 nan 0.000 0.216 560 P C 1.455 178.716 177.300 -0.065 0.000 1.153 560 P CA 2.197 65.263 63.100 -0.056 0.000 0.858 560 P CB -0.150 31.520 31.700 -0.050 0.000 0.789 561 T N -6.530 107.972 114.554 -0.087 0.000 3.069 561 T HA 0.175 4.525 4.350 -0.000 0.000 0.252 561 T C 0.410 175.053 174.700 -0.096 0.000 1.053 561 T CA -0.197 61.848 62.100 -0.091 0.000 0.964 561 T CB -0.694 68.107 68.868 -0.111 0.000 1.005 561 T HN -0.024 nan 8.240 nan 0.000 0.532 562 N N 2.729 121.371 118.700 -0.097 0.000 2.804 562 N HA 0.316 5.056 4.740 -0.000 0.000 0.251 562 N C -2.227 173.236 175.510 -0.078 0.000 1.250 562 N CA -1.676 51.314 53.050 -0.099 0.000 0.820 562 N CB 1.955 40.369 38.487 -0.123 0.000 1.156 562 N HN 0.078 nan 8.380 nan 0.000 0.512 563 P HA -0.143 nan 4.420 nan 0.000 0.223 563 P C 1.328 178.615 177.300 -0.021 0.000 1.144 563 P CA 0.868 63.946 63.100 -0.035 0.000 0.783 563 P CB 0.291 31.977 31.700 -0.024 0.000 0.771 564 G N 0.282 109.068 108.800 -0.023 0.000 2.432 564 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 564 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 564 G C 0.640 175.587 174.900 0.079 0.000 1.135 564 G CA 0.251 45.377 45.100 0.043 0.000 0.767 564 G HN 0.207 nan 8.290 nan 0.000 0.550 565 L N 3.275 124.486 121.223 -0.019 0.000 2.401 565 L HA 0.208 4.548 4.340 -0.000 0.000 0.283 565 L C -0.028 176.764 176.870 -0.131 0.000 1.151 565 L CA -1.091 53.696 54.840 -0.090 0.000 0.942 565 L CB 0.193 42.160 42.059 -0.154 0.000 1.283 565 L HN 0.248 nan 8.230 nan 0.000 0.442 566 D N 0.837 121.139 120.400 -0.164 0.000 2.472 566 D HA -0.032 4.608 4.640 -0.000 0.000 0.237 566 D C 0.636 176.715 176.300 -0.369 0.000 1.141 566 D CA 0.176 54.035 54.000 -0.234 0.000 0.875 566 D CB 0.920 41.532 40.800 -0.313 0.000 1.192 566 D HN 0.471 nan 8.370 nan 0.000 0.450 567 S N 0.081 115.597 115.700 -0.307 0.000 2.900 567 S HA 0.158 4.628 4.470 -0.000 0.000 0.253 567 S C 0.369 174.832 174.600 -0.228 0.000 1.029 567 S CA -0.960 57.082 58.200 -0.264 0.000 1.096 567 S CB -0.731 62.395 63.200 -0.124 0.000 1.067 567 S HN 0.437 nan 8.310 nan 0.000 0.610 568 F N 2.201 122.083 119.950 -0.115 0.000 2.496 568 F HA 0.630 5.157 4.527 -0.000 0.000 0.344 568 F C 0.380 176.127 175.800 -0.089 0.000 1.155 568 F CA -0.797 57.138 58.000 -0.109 0.000 1.302 568 F CB -0.764 38.140 39.000 -0.159 0.000 1.159 568 F HN -0.155 nan 8.300 nan 0.000 0.595 569 T N 2.812 117.472 114.554 0.177 0.000 2.916 569 T HA 0.121 4.471 4.350 -0.000 0.000 0.303 569 T C -0.150 174.648 174.700 0.164 0.000 1.025 569 T CA -0.322 61.832 62.100 0.090 0.000 1.142 569 T CB 0.164 69.068 68.868 0.059 0.000 0.947 569 T HN 0.535 nan 8.240 nan 0.000 0.544 570 E N 1.728 121.966 120.200 0.063 0.000 2.207 570 E HA 0.602 4.952 4.350 -0.000 0.000 0.270 570 E C -0.487 176.121 176.600 0.013 0.000 0.927 570 E CA -0.678 55.783 56.400 0.101 0.000 0.799 570 E CB 2.003 31.744 29.700 0.068 0.000 1.172 570 E HN 0.743 nan 8.360 nan 0.000 0.404 571 S N 0.011 115.726 115.700 0.025 0.000 2.567 571 S HA 0.783 5.253 4.470 -0.000 0.000 0.270 571 S C -0.553 173.968 174.600 -0.132 0.000 1.152 571 S CA -0.861 57.291 58.200 -0.081 0.000 0.835 571 S CB 1.866 64.977 63.200 -0.149 0.000 1.115 571 S HN 0.569 nan 8.310 nan 0.000 0.459 572 G N 0.828 109.424 108.800 -0.340 0.000 2.659 572 G HA2 0.625 4.585 3.960 -0.000 0.000 0.296 572 G HA3 0.625 4.585 3.960 -0.000 0.000 0.296 572 G C -1.564 172.653 174.900 -1.140 0.000 1.369 572 G CA -0.929 43.496 45.100 -1.125 0.000 0.937 572 G HN 0.574 nan 8.290 nan 0.000 0.485 573 K N 0.581 119.886 120.400 -1.825 0.000 2.297 573 K HA 0.398 4.718 4.320 -0.000 0.000 0.286 573 K C -1.145 175.354 176.600 -0.168 0.000 1.053 573 K CA -0.567 55.283 56.287 -0.728 0.000 0.940 573 K CB 1.947 34.133 32.500 -0.523 0.000 1.019 573 K HN 0.291 nan 8.250 nan 0.000 0.475 574 L N 3.299 124.457 121.223 -0.109 0.000 2.518 574 L HA 0.276 4.616 4.340 -0.000 0.000 0.262 574 L C -0.545 176.398 176.870 0.121 0.000 0.982 574 L CA -0.388 54.464 54.840 0.020 0.000 0.873 574 L CB 1.254 43.085 42.059 -0.380 0.000 1.198 574 L HN 0.544 nan 8.230 nan 0.000 0.427 575 R N 4.739 125.336 120.500 0.161 0.000 2.298 575 R HA 0.548 4.888 4.340 -0.000 0.000 0.310 575 R C -1.296 174.737 176.300 -0.444 0.000 1.068 575 R CA -0.387 55.656 56.100 -0.096 0.000 0.957 575 R CB 0.590 30.761 30.300 -0.216 0.000 1.003 575 R HN 0.744 nan 8.270 nan 0.000 0.454 576 L N 6.557 127.611 121.223 -0.282 0.000 2.272 576 L HA 0.331 4.671 4.340 -0.000 0.000 0.284 576 L C -0.454 176.296 176.870 -0.200 0.000 1.045 576 L CA -0.653 54.050 54.840 -0.229 0.000 0.842 576 L CB 0.401 42.384 42.059 -0.126 0.000 1.224 576 L HN 0.580 nan 8.230 nan 0.000 0.430 577 F N 1.030 120.954 119.950 -0.044 0.000 2.480 577 F HA 0.062 4.589 4.527 -0.000 0.000 0.319 577 F C 1.075 176.868 175.800 -0.012 0.000 1.230 577 F CA -0.085 57.881 58.000 -0.056 0.000 1.285 577 F CB 0.287 39.200 39.000 -0.144 0.000 1.208 577 F HN 0.403 nan 8.300 nan 0.000 0.579 578 D N 1.027 121.555 120.400 0.213 0.000 2.225 578 D HA 0.437 5.077 4.640 -0.000 0.000 0.248 578 D C -0.364 175.991 176.300 0.093 0.000 1.096 578 D CA 0.109 54.178 54.000 0.117 0.000 0.863 578 D CB 1.495 42.348 40.800 0.088 0.000 1.156 578 D HN 0.321 nan 8.370 nan 0.000 0.450 579 V N -1.063 118.889 119.914 0.063 0.000 3.160 579 V HA 0.563 4.683 4.120 -0.000 0.000 0.310 579 V C -0.786 175.320 176.094 0.021 0.000 1.181 579 V CA -0.997 61.324 62.300 0.035 0.000 1.047 579 V CB 2.434 34.278 31.823 0.035 0.000 1.068 579 V HN 0.229 nan 8.190 nan 0.000 0.441 580 I N 1.778 122.353 120.570 0.009 0.000 2.412 580 I HA 0.444 4.614 4.170 -0.000 0.000 0.279 580 I C 0.992 177.111 176.117 0.003 0.000 1.063 580 I CA 0.126 61.430 61.300 0.006 0.000 1.193 580 I CB 0.376 38.377 38.000 0.002 0.000 1.370 580 I HN 1.057 nan 8.210 nan 0.000 0.479 581 E N 4.739 124.942 120.200 0.005 0.000 2.033 581 E HA -0.006 4.344 4.350 -0.000 0.000 0.189 581 E C 0.246 176.846 176.600 -0.000 0.000 0.979 581 E CA 0.960 57.362 56.400 0.002 0.000 0.802 581 E CB 0.464 30.166 29.700 0.002 0.000 0.763 581 E HN 0.486 nan 8.360 nan 0.000 0.449 582 N N -0.218 118.482 118.700 -0.001 0.000 2.813 582 N HA 0.155 4.895 4.740 -0.000 0.000 0.282 582 N C -0.358 175.151 175.510 -0.002 0.000 1.748 582 N CA 0.541 53.589 53.050 -0.002 0.000 0.860 582 N CB 1.272 39.757 38.487 -0.003 0.000 1.204 582 N HN 0.318 nan 8.380 nan 0.000 0.490 583 G N 1.013 109.812 108.800 -0.001 0.000 2.225 583 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.272 583 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.272 583 G C 0.195 175.095 174.900 -0.000 0.000 0.996 583 G CA 0.862 45.961 45.100 -0.001 0.000 0.710 583 G HN 0.547 nan 8.290 nan 0.000 0.522 584 Q N -0.546 119.254 119.800 0.000 0.000 2.375 584 Q HA 0.539 4.879 4.340 -0.000 0.000 0.271 584 Q C -0.268 175.734 176.000 0.004 0.000 1.074 584 Q CA -0.835 54.969 55.803 0.001 0.000 0.808 584 Q CB 1.358 30.095 28.738 -0.001 0.000 1.327 584 Q HN 0.405 nan 8.270 nan 0.000 0.441 585 E N 2.185 122.389 120.200 0.006 0.000 2.366 585 E HA 0.166 4.516 4.350 -0.000 0.000 0.266 585 E C -1.247 175.360 176.600 0.012 0.000 1.051 585 E CA 0.022 56.428 56.400 0.011 0.000 0.884 585 E CB 0.802 30.509 29.700 0.012 0.000 1.006 585 E HN 0.603 nan 8.360 nan 0.000 0.417 586 Q N 0.540 120.352 119.800 0.020 0.000 2.578 586 Q HA 0.354 4.694 4.340 -0.000 0.000 0.284 586 Q C -1.681 174.344 176.000 0.042 0.000 0.960 586 Q CA -0.982 54.835 55.803 0.023 0.000 0.809 586 Q CB 1.109 29.856 28.738 0.014 0.000 1.462 586 Q HN 0.291 nan 8.270 nan 0.000 0.392 587 V N 2.115 122.062 119.914 0.056 0.000 2.470 587 V HA 0.067 4.187 4.120 -0.000 0.000 0.276 587 V C 0.433 176.578 176.094 0.085 0.000 1.040 587 V CA 0.035 62.389 62.300 0.091 0.000 1.008 587 V CB 0.743 32.652 31.823 0.143 0.000 0.990 587 V HN 0.843 nan 8.190 nan 0.000 0.477 588 E N 3.718 123.966 120.200 0.081 0.000 2.604 588 E HA -0.085 4.265 4.350 -0.000 0.000 0.267 588 E C -0.114 176.504 176.600 0.030 0.000 0.970 588 E CA -0.042 56.393 56.400 0.059 0.000 0.956 588 E CB 0.471 30.220 29.700 0.082 0.000 0.939 588 E HN 0.737 nan 8.360 nan 0.000 0.465 589 T N 4.786 119.342 114.554 0.004 0.000 2.901 589 T HA 0.119 4.469 4.350 -0.000 0.000 0.301 589 T C -0.043 174.632 174.700 -0.042 0.000 1.012 589 T CA -0.514 61.565 62.100 -0.034 0.000 1.135 589 T CB 0.442 69.291 68.868 -0.030 0.000 0.936 589 T HN 0.371 nan 8.240 nan 0.000 0.539 590 L N 3.870 125.042 121.223 -0.086 0.000 2.363 590 L HA 0.333 4.673 4.340 -0.000 0.000 0.286 590 L C -0.195 176.670 176.870 -0.008 0.000 1.106 590 L CA -0.397 54.396 54.840 -0.080 0.000 0.859 590 L CB -0.080 41.913 42.059 -0.110 0.000 1.223 590 L HN 0.510 nan 8.230 nan 0.000 0.446 591 D N 4.729 125.147 120.400 0.029 0.000 2.441 591 D HA 0.273 4.913 4.640 -0.000 0.000 0.221 591 D C -0.496 175.875 176.300 0.118 0.000 1.156 591 D CA -0.041 54.002 54.000 0.071 0.000 0.896 591 D CB 0.284 41.123 40.800 0.065 0.000 1.028 591 D HN 0.515 nan 8.370 nan 0.000 0.509 592 L N 2.686 124.000 121.223 0.153 0.000 2.357 592 L HA 0.516 4.856 4.340 -0.000 0.000 0.273 592 L C 0.071 177.053 176.870 0.188 0.000 1.080 592 L CA -0.356 54.604 54.840 0.199 0.000 0.803 592 L CB 1.717 43.934 42.059 0.263 0.000 1.174 592 L HN 0.293 nan 8.230 nan 0.000 0.443 593 T N 1.892 116.578 114.554 0.220 0.000 3.170 593 T HA 0.361 4.711 4.350 -0.000 0.000 0.315 593 T C -0.729 174.122 174.700 0.252 0.000 0.967 593 T CA -0.377 61.841 62.100 0.196 0.000 1.024 593 T CB 1.567 70.528 68.868 0.155 0.000 1.018 593 T HN 0.143 nan 8.240 nan 0.000 0.449 594 V N 3.860 123.879 119.914 0.175 0.000 2.409 594 V HA 0.510 4.629 4.120 -0.000 0.000 0.291 594 V C -0.104 176.034 176.094 0.075 0.000 1.020 594 V CA -0.784 61.602 62.300 0.144 0.000 0.848 594 V CB 1.766 33.650 31.823 0.102 0.000 0.990 594 V HN 0.697 nan 8.190 nan 0.000 0.430 595 V N 5.913 125.876 119.914 0.082 0.000 2.370 595 V HA 0.422 4.542 4.120 -0.000 0.000 0.283 595 V C -0.121 175.889 176.094 -0.141 0.000 1.023 595 V CA -0.501 61.801 62.300 0.003 0.000 0.857 595 V CB 1.797 33.699 31.823 0.131 0.000 0.985 595 V HN 0.616 nan 8.190 nan 0.000 0.443 596 V N 3.958 123.626 119.914 -0.410 0.000 2.334 596 V HA 0.404 4.524 4.120 -0.000 0.000 0.281 596 V C -0.324 175.550 176.094 -0.368 0.000 1.016 596 V CA -0.358 61.624 62.300 -0.530 0.000 0.832 596 V CB 1.578 32.739 31.823 -1.103 0.000 0.999 596 V HN 0.860 nan 8.190 nan 0.000 0.439 597 D N 5.402 125.699 120.400 -0.172 0.000 2.483 597 D HA 0.267 4.907 4.640 -0.000 0.000 0.281 597 D C 0.799 177.024 176.300 -0.125 0.000 1.174 597 D CA 0.029 54.030 54.000 0.002 0.000 0.938 597 D CB 0.122 41.051 40.800 0.216 0.000 1.002 597 D HN 0.518 nan 8.370 nan 0.000 0.501 598 N N 1.508 119.943 118.700 -0.442 0.000 1.241 598 N HA -0.358 4.382 4.740 -0.000 0.000 0.135 598 N C 0.979 176.427 175.510 -0.104 0.000 0.723 598 N CA 2.375 55.208 53.050 -0.362 0.000 0.950 598 N CB -1.102 37.341 38.487 -0.075 0.000 1.215 598 N HN 0.380 nan 8.380 nan 0.000 0.520 599 A N 0.578 123.477 122.820 0.132 0.000 2.168 599 A HA 0.233 4.553 4.320 -0.000 0.000 0.215 599 A C 0.767 178.347 177.584 -0.005 0.000 1.152 599 A CA 0.972 53.109 52.037 0.168 0.000 0.716 599 A CB -0.036 19.187 19.000 0.372 0.000 0.794 599 A HN 0.294 nan 8.150 nan 0.000 0.465 600 V N 1.398 121.198 119.914 -0.189 0.000 2.427 600 V HA 0.245 4.365 4.120 -0.000 0.000 0.268 600 V C -0.336 175.554 176.094 -0.339 0.000 1.046 600 V CA -0.090 61.900 62.300 -0.516 0.000 0.970 600 V CB 0.937 32.301 31.823 -0.765 0.000 1.001 600 V HN 0.124 nan 8.190 nan 0.000 0.476 601 V N 5.416 125.145 119.914 -0.308 0.000 2.409 601 V HA 0.440 4.560 4.120 -0.000 0.000 0.291 601 V C -0.084 175.912 176.094 -0.164 0.000 1.020 601 V CA -0.629 61.553 62.300 -0.196 0.000 0.848 601 V CB 1.731 33.465 31.823 -0.149 0.000 0.990 601 V HN 0.897 nan 8.190 nan 0.000 0.430 602 E N 3.464 123.613 120.200 -0.086 0.000 2.185 602 E HA 0.519 4.869 4.350 -0.000 0.000 0.261 602 E C -1.326 175.237 176.600 -0.061 0.000 0.879 602 E CA -0.544 55.793 56.400 -0.105 0.000 0.756 602 E CB 2.504 32.200 29.700 -0.007 0.000 1.152 602 E HN 0.453 nan 8.360 nan 0.000 0.416 603 V N 4.450 124.297 119.914 -0.111 0.000 2.350 603 V HA 0.294 4.414 4.120 -0.000 0.000 0.276 603 V C -0.857 175.249 176.094 0.021 0.000 1.028 603 V CA -0.554 61.780 62.300 0.056 0.000 0.860 603 V CB -0.022 31.889 31.823 0.147 0.000 0.990 603 V HN 0.578 nan 8.190 nan 0.000 0.453 604 Y N 2.512 122.945 120.300 0.221 0.000 2.446 604 Y HA 0.816 5.366 4.550 -0.000 0.000 0.338 604 Y C 0.321 176.397 175.900 0.293 0.000 1.055 604 Y CA -0.632 57.622 58.100 0.256 0.000 1.101 604 Y CB 2.251 40.803 38.460 0.154 0.000 1.221 604 Y HN 0.706 nan 8.280 nan 0.000 0.460 605 A N 1.657 124.783 122.820 0.510 0.000 2.517 605 A HA 0.391 4.711 4.320 -0.000 0.000 0.297 605 A C -0.362 177.386 177.584 0.272 0.000 1.050 605 A CA -0.938 51.287 52.037 0.314 0.000 0.694 605 A CB 0.588 19.680 19.000 0.153 0.000 1.277 605 A HN 1.002 nan 8.150 nan 0.000 0.400 606 N N 1.080 119.885 118.700 0.175 0.000 2.686 606 N HA -0.305 4.435 4.740 -0.000 0.000 0.249 606 N C 1.143 176.752 175.510 0.164 0.000 1.082 606 N CA 1.211 54.346 53.050 0.143 0.000 0.725 606 N CB -0.662 37.896 38.487 0.118 0.000 1.009 606 N HN 2.126 nan 8.380 nan 0.000 0.545 607 G N 0.801 109.712 108.800 0.184 0.000 2.230 607 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.270 607 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.270 607 G C 0.607 175.625 174.900 0.198 0.000 0.987 607 G CA 1.295 46.494 45.100 0.165 0.000 0.664 607 G HN 0.779 nan 8.290 nan 0.000 0.539 608 R N -1.691 118.968 120.500 0.265 0.000 2.700 608 R HA 0.669 5.009 4.340 -0.000 0.000 0.399 608 R C -0.189 176.402 176.300 0.485 0.000 1.115 608 R CA -0.488 55.795 56.100 0.305 0.000 1.058 608 R CB 0.182 30.659 30.300 0.295 0.000 1.389 608 R HN 0.589 nan 8.270 nan 0.000 0.582 609 F N 0.596 120.715 119.950 0.282 0.000 2.654 609 F HA 0.631 5.158 4.527 -0.000 0.000 0.314 609 F C -2.091 173.851 175.800 0.237 0.000 1.116 609 F CA -0.555 57.638 58.000 0.321 0.000 1.017 609 F CB 1.927 41.087 39.000 0.267 0.000 1.285 609 F HN 0.127 nan 8.300 nan 0.000 0.448 610 A N 5.287 127.805 122.820 -0.503 0.000 2.455 610 A HA 0.813 5.133 4.320 -0.000 0.000 0.300 610 A C -2.608 174.622 177.584 -0.590 0.000 1.040 610 A CA -0.589 51.152 52.037 -0.492 0.000 0.697 610 A CB 1.770 20.586 19.000 -0.307 0.000 1.265 610 A HN 1.145 nan 8.150 nan 0.000 0.407 611 L N 1.765 122.745 121.223 -0.405 0.000 2.482 611 L HA 0.754 5.094 4.340 -0.000 0.000 0.269 611 L C -0.868 175.918 176.870 -0.140 0.000 0.967 611 L CA 0.209 54.938 54.840 -0.185 0.000 0.851 611 L CB 2.024 44.056 42.059 -0.045 0.000 1.242 611 L HN 0.581 nan 8.230 nan 0.000 0.404 612 S N 2.509 118.139 115.700 -0.116 0.000 2.536 612 S HA 0.937 5.407 4.470 -0.000 0.000 0.298 612 S C -0.574 173.936 174.600 -0.151 0.000 1.083 612 S CA -0.572 57.533 58.200 -0.158 0.000 0.995 612 S CB 2.040 65.132 63.200 -0.181 0.000 1.058 612 S HN 0.806 nan 8.310 nan 0.000 0.488 613 T N 0.209 114.622 114.554 -0.236 0.000 2.693 613 T HA 0.523 4.873 4.350 -0.000 0.000 0.304 613 T C -2.147 172.338 174.700 -0.359 0.000 1.471 613 T CA -0.637 61.324 62.100 -0.232 0.000 0.993 613 T CB 0.395 69.195 68.868 -0.113 0.000 1.554 613 T HN 0.566 nan 8.240 nan 0.000 0.496 614 W N 1.511 122.684 121.300 -0.211 0.000 2.390 614 W HA 0.696 5.356 4.660 0.000 0.000 0.312 614 W C 0.063 176.425 176.519 -0.261 0.000 1.123 614 W CA -0.648 56.547 57.345 -0.250 0.000 1.202 614 W CB 1.407 30.676 29.460 -0.319 0.000 1.251 614 W HN 0.754 nan 8.180 nan 0.000 0.511 615 A N 4.194 127.020 122.820 0.010 0.000 2.802 615 A HA 0.453 4.773 4.320 -0.000 0.000 0.344 615 A C -0.207 177.332 177.584 -0.076 0.000 1.215 615 A CA -0.867 51.138 52.037 -0.052 0.000 0.821 615 A CB 0.075 19.050 19.000 -0.042 0.000 1.099 615 A HN 0.719 nan 8.150 nan 0.000 0.479 616 R N 2.082 122.435 120.500 -0.246 0.000 3.710 616 R HA 0.170 4.510 4.340 -0.000 0.000 0.201 616 R C 0.367 176.671 176.300 0.007 0.000 1.641 616 R CA 0.128 55.900 56.100 -0.547 0.000 1.390 616 R CB 0.011 29.516 30.300 -1.325 0.000 1.341 616 R HN 0.732 nan 8.270 nan 0.000 0.728 617 S N 0.237 116.060 115.700 0.203 0.000 2.592 617 S HA 0.070 4.540 4.470 -0.000 0.000 0.271 617 S C 0.596 175.484 174.600 0.480 0.000 1.326 617 S CA -0.906 57.471 58.200 0.295 0.000 1.024 617 S CB 1.304 64.631 63.200 0.211 0.000 0.921 617 S HN 0.707 nan 8.310 nan 0.000 0.527 618 W N 1.779 123.192 121.300 0.188 0.000 2.644 618 W HA 0.196 4.856 4.660 -0.000 0.000 0.279 618 W C -0.658 175.821 176.519 -0.067 0.000 1.164 618 W CA -0.147 57.216 57.345 0.031 0.000 1.457 618 W CB -0.179 29.174 29.460 -0.177 0.000 1.087 618 W HN 0.708 nan 8.180 nan 0.000 0.573 619 Y N 3.272 123.705 120.300 0.221 0.000 2.425 619 Y HA -0.007 4.543 4.550 -0.000 0.000 0.331 619 Y C 1.695 177.593 175.900 -0.003 0.000 1.157 619 Y CA 0.428 58.585 58.100 0.095 0.000 1.372 619 Y CB 0.372 38.944 38.460 0.186 0.000 1.253 619 Y HN -0.080 nan 8.280 nan 0.000 0.536 620 D N 0.829 121.301 120.400 0.119 0.000 2.218 620 D HA -0.177 4.463 4.640 -0.000 0.000 0.204 620 D C 0.968 177.325 176.300 0.094 0.000 0.976 620 D CA 1.164 55.201 54.000 0.062 0.000 0.853 620 D CB 0.018 40.840 40.800 0.036 0.000 0.939 620 D HN 0.593 nan 8.370 nan 0.000 0.481 621 N N 0.316 119.091 118.700 0.125 0.000 2.467 621 N HA -0.027 4.713 4.740 -0.000 0.000 0.184 621 N C 0.060 175.612 175.510 0.070 0.000 1.106 621 N CA 0.168 53.264 53.050 0.075 0.000 0.892 621 N CB 0.228 38.738 38.487 0.039 0.000 0.969 621 N HN -0.104 nan 8.380 nan 0.000 0.454 622 S N 0.661 116.433 115.700 0.120 0.000 4.139 622 S HA 0.085 4.555 4.470 -0.000 0.000 0.215 622 S C 1.209 175.854 174.600 0.074 0.000 1.390 622 S CA -0.161 58.102 58.200 0.106 0.000 0.885 622 S CB -0.237 63.068 63.200 0.175 0.000 1.560 622 S HN 0.406 nan 8.310 nan 0.000 0.449 623 T N -2.214 112.356 114.554 0.026 0.000 3.144 623 T HA 0.196 4.546 4.350 -0.000 0.000 0.290 623 T C 0.315 174.946 174.700 -0.115 0.000 0.966 623 T CA -0.460 61.631 62.100 -0.016 0.000 0.907 623 T CB 0.176 69.039 68.868 -0.008 0.000 1.152 623 T HN 0.210 nan 8.240 nan 0.000 0.532 624 Q N 1.105 120.852 119.800 -0.088 0.000 2.421 624 Q HA 0.460 4.800 4.340 -0.000 0.000 0.255 624 Q C -0.331 175.531 176.000 -0.231 0.000 1.013 624 Q CA 0.302 56.025 55.803 -0.134 0.000 0.895 624 Q CB 1.128 29.825 28.738 -0.068 0.000 1.271 624 Q HN 0.573 nan 8.270 nan 0.000 0.460 625 I N 2.194 122.538 120.570 -0.377 0.000 2.533 625 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 625 I C -0.477 175.270 176.117 -0.616 0.000 1.056 625 I CA -0.649 60.265 61.300 -0.642 0.000 1.057 625 I CB 1.997 39.269 38.000 -1.213 0.000 1.240 625 I HN 0.369 nan 8.210 nan 0.000 0.423 626 R N 4.337 124.644 120.500 -0.322 0.000 2.744 626 R HA 0.587 4.927 4.340 -0.000 0.000 0.279 626 R C -1.361 175.057 176.300 0.197 0.000 0.977 626 R CA -0.764 55.347 56.100 0.019 0.000 0.906 626 R CB 2.060 32.426 30.300 0.110 0.000 1.197 626 R HN 0.245 nan 8.270 nan 0.000 0.463 627 F N 1.647 121.779 119.950 0.304 0.000 2.418 627 F HA 0.322 4.849 4.527 -0.000 0.000 0.341 627 F C 0.120 175.994 175.800 0.123 0.000 1.120 627 F CA 0.284 58.286 58.000 0.003 0.000 1.232 627 F CB 0.586 39.412 39.000 -0.290 0.000 1.175 627 F HN 0.324 nan 8.300 nan 0.000 0.569 628 F N 2.686 122.720 119.950 0.140 0.000 2.569 628 F HA 0.542 5.069 4.527 -0.000 0.000 0.312 628 F C -1.520 174.462 175.800 0.303 0.000 1.109 628 F CA -0.853 57.259 58.000 0.187 0.000 0.919 628 F CB 1.256 40.338 39.000 0.136 0.000 1.211 628 F HN 0.503 nan 8.300 nan 0.000 0.446 629 H N 4.356 122.927 119.070 -0.832 0.000 3.026 629 H HA 0.278 4.834 4.556 -0.000 0.000 0.352 629 H C -0.499 174.386 175.328 -0.738 0.000 1.090 629 H CA -0.805 54.801 56.048 -0.737 0.000 1.268 629 H CB 1.183 30.834 29.762 -0.184 0.000 1.816 629 H HN 0.550 nan 8.280 nan 0.000 0.518 630 N N 3.089 121.123 118.700 -1.110 0.000 2.383 630 N HA 0.129 4.869 4.740 -0.000 0.000 0.192 630 N C 1.251 176.452 175.510 -0.515 0.000 1.141 630 N CA 0.665 53.350 53.050 -0.608 0.000 0.851 630 N CB 0.278 38.540 38.487 -0.374 0.000 0.976 630 N HN 0.967 nan 8.380 nan 0.000 0.465 631 G N -0.171 108.136 108.800 -0.821 0.000 2.234 631 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 631 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 631 G C -0.350 174.433 174.900 -0.194 0.000 0.987 631 G CA 0.191 45.105 45.100 -0.310 0.000 0.625 631 G HN 0.413 nan 8.290 nan 0.000 0.532 632 E N 1.630 121.651 120.200 -0.299 0.000 2.052 632 E HA 0.508 4.858 4.350 -0.000 0.000 0.283 632 E C 1.035 177.635 176.600 -0.000 0.000 1.071 632 E CA 0.965 57.298 56.400 -0.112 0.000 0.851 632 E CB 0.314 29.948 29.700 -0.109 0.000 1.066 632 E HN 1.609 nan 8.360 nan 0.000 0.396 633 G N 3.266 112.111 108.800 0.074 0.000 2.615 633 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 633 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 633 G C -0.567 174.476 174.900 0.239 0.000 1.339 633 G CA -0.190 44.985 45.100 0.124 0.000 0.884 633 G HN 0.521 nan 8.290 nan 0.000 0.559 634 E N -1.994 118.314 120.200 0.180 0.000 2.383 634 E HA 0.648 4.998 4.350 -0.000 0.000 0.275 634 E C -1.526 175.082 176.600 0.014 0.000 0.918 634 E CA -0.671 55.742 56.400 0.022 0.000 0.764 634 E CB 2.495 32.184 29.700 -0.019 0.000 1.252 634 E HN 1.435 nan 8.360 nan 0.000 0.449 635 V N 2.778 122.540 119.914 -0.252 0.000 2.888 635 V HA 0.425 4.545 4.120 -0.000 0.000 0.309 635 V C -1.791 174.028 176.094 -0.459 0.000 1.114 635 V CA -0.369 61.711 62.300 -0.367 0.000 0.940 635 V CB 2.124 33.670 31.823 -0.462 0.000 1.021 635 V HN 0.785 nan 8.190 nan 0.000 0.426 636 Q N 5.249 124.745 119.800 -0.507 0.000 2.357 636 Q HA 0.494 4.834 4.340 -0.000 0.000 0.266 636 Q C -1.594 174.175 176.000 -0.384 0.000 1.021 636 Q CA -0.265 55.338 55.803 -0.334 0.000 0.784 636 Q CB 2.170 30.781 28.738 -0.212 0.000 1.243 636 Q HN 0.690 nan 8.270 nan 0.000 0.465 637 F N 2.007 121.883 119.950 -0.125 0.000 2.410 637 F HA 0.444 4.971 4.527 -0.000 0.000 0.348 637 F C 0.658 176.469 175.800 0.019 0.000 1.106 637 F CA -0.216 57.787 58.000 0.004 0.000 1.163 637 F CB 0.879 39.979 39.000 0.167 0.000 1.129 637 F HN 0.230 nan 8.300 nan 0.000 0.516 638 R N 1.093 121.725 120.500 0.219 0.000 2.740 638 R HA 0.306 4.646 4.340 -0.000 0.000 0.273 638 R C -0.623 175.765 176.300 0.148 0.000 0.998 638 R CA -1.247 54.933 56.100 0.133 0.000 0.900 638 R CB 1.702 32.030 30.300 0.046 0.000 1.223 638 R HN 0.755 nan 8.270 nan 0.000 0.466 639 N N -0.052 118.709 118.700 0.102 0.000 2.705 639 N HA -0.174 4.566 4.740 -0.000 0.000 0.255 639 N C -0.798 174.779 175.510 0.112 0.000 1.008 639 N CA -0.017 53.084 53.050 0.085 0.000 0.742 639 N CB -0.743 37.784 38.487 0.067 0.000 0.906 639 N HN 0.117 nan 8.380 nan 0.000 0.541 640 V N 0.594 120.585 119.914 0.128 0.000 2.461 640 V HA 0.500 4.620 4.120 -0.000 0.000 0.275 640 V C 0.499 176.603 176.094 0.016 0.000 1.047 640 V CA 0.062 62.427 62.300 0.108 0.000 0.955 640 V CB 1.628 33.527 31.823 0.127 0.000 0.988 640 V HN 0.342 nan 8.190 nan 0.000 0.471 641 S N 3.769 119.486 115.700 0.028 0.000 2.550 641 S HA 0.790 5.260 4.470 -0.000 0.000 0.270 641 S C -1.448 173.191 174.600 0.064 0.000 1.145 641 S CA -0.477 57.742 58.200 0.031 0.000 0.852 641 S CB 2.064 65.286 63.200 0.037 0.000 1.119 641 S HN 0.422 nan 8.310 nan 0.000 0.465 642 V N 2.633 122.590 119.914 0.072 0.000 2.577 642 V HA 0.677 4.797 4.120 -0.000 0.000 0.303 642 V C -0.302 175.847 176.094 0.092 0.000 1.042 642 V CA -0.676 61.677 62.300 0.089 0.000 0.872 642 V CB 1.693 33.539 31.823 0.038 0.000 0.998 642 V HN 0.814 nan 8.190 nan 0.000 0.423 643 S N 3.891 119.672 115.700 0.135 0.000 2.474 643 S HA 0.492 4.962 4.470 -0.000 0.000 0.321 643 S C -0.597 174.117 174.600 0.190 0.000 1.080 643 S CA -0.525 57.752 58.200 0.127 0.000 1.106 643 S CB 0.827 64.092 63.200 0.109 0.000 0.984 643 S HN 0.877 nan 8.310 nan 0.000 0.464 644 E N 3.356 123.655 120.200 0.164 0.000 2.191 644 E HA 0.604 4.954 4.350 -0.000 0.000 0.274 644 E C 0.860 177.574 176.600 0.190 0.000 0.948 644 E CA 0.005 56.535 56.400 0.217 0.000 0.802 644 E CB 0.997 30.791 29.700 0.157 0.000 1.137 644 E HN 0.902 nan 8.360 nan 0.000 0.397 645 G N 3.870 112.815 108.800 0.242 0.000 2.612 645 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.200 645 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.200 645 G C 0.506 175.507 174.900 0.168 0.000 1.053 645 G CA -0.170 45.035 45.100 0.176 0.000 0.707 645 G HN 0.702 nan 8.290 nan 0.000 0.497 646 L N -1.855 119.489 121.223 0.202 0.000 6.963 646 L HA -0.178 4.162 4.340 -0.000 0.000 0.053 646 L C 0.607 177.643 176.870 0.276 0.000 1.740 646 L CA 2.088 57.072 54.840 0.240 0.000 1.613 646 L CB -1.358 40.832 42.059 0.217 0.000 2.780 646 L HN 1.671 nan 8.230 nan 0.000 1.092 647 Y N -1.931 118.379 120.300 0.016 0.000 2.741 647 Y HA 0.522 5.072 4.550 0.000 0.000 0.339 647 Y C -0.653 175.242 175.900 -0.009 0.000 1.226 647 Y CA -1.216 56.876 58.100 -0.015 0.000 1.072 647 Y CB 1.054 39.503 38.460 -0.018 0.000 1.331 647 Y HN 0.451 nan 8.280 nan 0.000 0.453 648 N N 1.186 119.840 118.700 -0.077 0.000 2.411 648 N HA 0.316 5.056 4.740 -0.000 0.000 0.259 648 N C 0.352 175.769 175.510 -0.155 0.000 1.103 648 N CA 0.689 53.666 53.050 -0.122 0.000 0.954 648 N CB 1.832 40.323 38.487 0.007 0.000 1.085 648 N HN 0.940 nan 8.380 nan 0.000 0.485 649 A N 3.644 126.293 122.820 -0.285 0.000 2.167 649 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 649 A C -0.045 177.335 177.584 -0.340 0.000 1.151 649 A CA 0.279 52.155 52.037 -0.269 0.000 0.735 649 A CB -0.147 18.685 19.000 -0.279 0.000 0.802 649 A HN 0.726 nan 8.150 nan 0.000 0.467 650 W N -0.650 120.684 121.300 0.056 0.000 2.148 650 W HA 0.425 5.085 4.660 0.000 0.000 0.288 650 W C -2.268 174.275 176.519 0.041 0.000 0.920 650 W CA -1.988 55.400 57.345 0.072 0.000 1.904 650 W CB 0.507 29.999 29.460 0.053 0.000 2.083 650 W HN 0.115 nan 8.180 nan 0.000 0.398 651 P HA -0.243 nan 4.420 nan 0.000 0.216 651 P C 1.382 178.750 177.300 0.113 0.000 1.153 651 P CA 1.843 65.007 63.100 0.106 0.000 0.858 651 P CB 0.529 32.262 31.700 0.056 0.000 0.789 652 E N -0.966 119.316 120.200 0.137 0.000 2.204 652 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 652 E C 0.998 177.667 176.600 0.115 0.000 0.989 652 E CA 0.658 57.127 56.400 0.116 0.000 0.824 652 E CB -0.343 29.428 29.700 0.120 0.000 0.756 652 E HN 0.259 nan 8.360 nan 0.000 0.477 653 R N 0.000 120.594 120.500 0.157 0.000 2.786 653 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 653 R CA 0.000 56.159 56.100 0.099 0.000 0.921 653 R CB 0.000 30.352 30.300 0.087 0.000 0.687 653 R HN 0.000 nan 8.270 nan 0.000 0.535