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 2pmz_1_Q DATA FIRST_RESID 4 DATA SEQUENCE KNIKGIKFGI LSPDEIRKMS VTAIITPXXX XXXXXXXXXX XMDPRLGVIE DATA SEQUENCE PGQKcPTCGN TLGNcPGHFG HIELVRPVIH VGLVKHIYEF LKAXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX KLTPSDIRER LEKIPDSDVE ILGYDPTTSR DATA SEQUENCE PEWMILTVLP VPPITIRPSX XXXXXXXXED DLTHKLVDIV RINERLKESI DATA SEQUENCE DAGAPQLIIE DLWDLLQYHV ATYFDNEIPG LPPSKHRSGR PLRTLAQRLK DATA SEQUENCE GKEGRFRGNL SGKRVDFSSR TVISPDPNIS IDEVGVPEII AKTLTVPERI DATA SEQUENCE TPWNIEKLRQ FVINGPDKWP GANYVIRPDG RRIDLRYVKD RKELASTLAP DATA SEQUENCE GYIIERHLID GDIVLFNRQP SLHRISMMAH RVRVLKGLTF RLNLLVCPPY DATA SEQUENCE NADFDGDEMN LHVPQSEEAI AEAKEIMLVH KNIITPRYGG PIIGAAQDYI DATA SEQUENCE SGAYLLTVKT TLLTKEEAQQ ILGVADVKID LGEPAILAPR EYYTGKQVIS DATA SEQUENCE AFLPKDFNFH GQANVSSGPR LCKNEDCPHD SYVVIKNGIL LEGVFDKKAI DATA SEQUENCE GNQQPESILH WLIKEYSDEY GKWLMDNLFR VFIRFVELQG FTMRLEDVSL DATA SEQUENCE GDDVKKEIYN EIDRAKVEVD NLIQKYKNGE LEPIPGRTLE ESLENYILDT DATA SEQUENCE LDKLRSTAGD IASKYLDPFN FAYVMARTGA RGSVLNITQM AAMLGQQSVR DATA SEQUENCE GERIKRGYMT RTLPHFKPYD ISPEARGFIY SSFRTGLKPT ELFFHAAGGR DATA SEQUENCE EGLVDTAVRT SQSGYMQRRL INALSDLRAE YDGTVRSLYG EVVQVAYGDD DATA SEQUENCE GVFPMYSAHG KTVDVNRIFE RVVGWK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.592 176.600 -0.014 0.000 0.988 4 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 4 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 5 N N 1.741 120.431 118.700 -0.016 0.000 3.127 5 N HA 0.290 5.030 4.740 -0.001 0.000 0.239 5 N C -1.375 174.123 175.510 -0.020 0.000 1.200 5 N CA -0.418 52.622 53.050 -0.016 0.000 0.924 5 N CB 0.840 39.319 38.487 -0.013 0.000 1.583 5 N HN 0.500 nan 8.380 nan 0.000 0.645 6 I N 1.716 122.272 120.570 -0.023 0.000 2.775 6 I HA 0.015 4.185 4.170 -0.001 0.000 0.290 6 I C 0.704 176.805 176.117 -0.026 0.000 1.203 6 I CA 0.756 62.038 61.300 -0.029 0.000 1.433 6 I CB 0.504 38.484 38.000 -0.033 0.000 1.354 6 I HN 0.443 nan 8.210 nan 0.000 0.579 7 K N 4.562 124.945 120.400 -0.030 0.000 3.009 7 K HA 0.406 4.725 4.320 -0.001 0.000 0.228 7 K C -0.862 175.721 176.600 -0.029 0.000 1.307 7 K CA -0.266 56.007 56.287 -0.023 0.000 0.882 7 K CB 0.575 33.066 32.500 -0.015 0.000 1.275 7 K HN 0.953 nan 8.250 nan 0.000 0.551 8 G N 3.452 112.227 108.800 -0.043 0.000 2.400 8 G HA2 0.092 4.051 3.960 -0.001 0.000 0.199 8 G HA3 0.092 4.051 3.960 -0.001 0.000 0.199 8 G C -1.022 173.808 174.900 -0.117 0.000 1.383 8 G CA -0.946 44.119 45.100 -0.057 0.000 1.117 8 G HN 0.287 nan 8.290 nan 0.000 0.621 9 I N 2.295 122.761 120.570 -0.174 0.000 2.287 9 I HA 0.247 4.417 4.170 -0.001 0.000 0.290 9 I C 0.831 176.656 176.117 -0.488 0.000 1.069 9 I CA -0.460 60.605 61.300 -0.392 0.000 1.237 9 I CB 1.263 38.924 38.000 -0.564 0.000 1.418 9 I HN 0.347 nan 8.210 nan 0.000 0.481 10 K N 6.913 127.115 120.400 -0.331 0.000 2.220 10 K HA 0.261 4.580 4.320 -0.001 0.000 0.283 10 K C -0.331 176.135 176.600 -0.223 0.000 1.098 10 K CA -0.309 55.860 56.287 -0.197 0.000 0.928 10 K CB 0.299 32.733 32.500 -0.109 0.000 1.214 10 K HN 0.214 nan 8.250 nan 0.000 0.442 11 F N 1.591 121.530 119.950 -0.019 0.000 2.239 11 F HA 0.464 4.990 4.527 -0.001 0.000 0.288 11 F C 1.663 177.446 175.800 -0.029 0.000 1.225 11 F CA 1.058 59.045 58.000 -0.022 0.000 1.162 11 F CB 0.568 39.560 39.000 -0.013 0.000 1.484 11 F HN 0.724 nan 8.300 nan 0.000 0.512 12 G N -0.589 108.364 108.800 0.255 0.000 2.334 12 G HA2 0.151 4.110 3.960 -0.001 0.000 0.249 12 G HA3 0.151 4.110 3.960 -0.001 0.000 0.249 12 G C -1.896 173.029 174.900 0.042 0.000 1.327 12 G CA -0.984 44.176 45.100 0.100 0.000 0.979 12 G HN 0.516 nan 8.290 nan 0.000 0.471 13 I N 0.967 121.518 120.570 -0.032 0.000 2.439 13 I HA 0.328 4.498 4.170 -0.001 0.000 0.283 13 I C -0.015 175.903 176.117 -0.330 0.000 1.023 13 I CA -0.763 60.457 61.300 -0.133 0.000 1.100 13 I CB 1.580 39.542 38.000 -0.063 0.000 1.238 13 I HN 0.519 nan 8.210 nan 0.000 0.445 14 L N 6.821 127.815 121.223 -0.382 0.000 2.653 14 L HA -0.101 4.239 4.340 -0.001 0.000 0.288 14 L C 0.604 176.966 176.870 -0.845 0.000 1.243 14 L CA 0.787 55.351 54.840 -0.460 0.000 0.906 14 L CB 0.325 42.179 42.059 -0.342 0.000 1.154 14 L HN 0.691 nan 8.230 nan 0.000 0.498 15 S N 6.179 121.570 115.700 -0.516 0.000 2.646 15 S HA 0.529 4.999 4.470 -0.001 0.000 0.276 15 S C -1.745 172.775 174.600 -0.133 0.000 1.222 15 S CA -0.866 57.077 58.200 -0.428 0.000 1.014 15 S CB 1.108 64.223 63.200 -0.142 0.000 0.991 15 S HN 0.621 nan 8.310 nan 0.000 0.533 16 P HA -0.212 nan 4.420 nan 0.000 0.210 16 P C 1.179 178.567 177.300 0.146 0.000 1.189 16 P CA 1.795 65.109 63.100 0.357 0.000 0.920 16 P CB -0.276 31.678 31.700 0.424 0.000 0.782 17 D N 0.240 120.699 120.400 0.099 0.000 2.158 17 D HA -0.240 4.400 4.640 -0.001 0.000 0.197 17 D C 1.944 178.245 176.300 0.001 0.000 0.995 17 D CA 1.310 55.333 54.000 0.038 0.000 0.846 17 D CB -0.887 39.931 40.800 0.031 0.000 0.941 17 D HN 0.326 nan 8.370 nan 0.000 0.456 18 E N 0.471 120.667 120.200 -0.008 0.000 2.077 18 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 18 E C 2.517 179.092 176.600 -0.042 0.000 0.989 18 E CA 0.607 56.981 56.400 -0.042 0.000 0.800 18 E CB -0.094 29.562 29.700 -0.073 0.000 0.746 18 E HN 0.336 nan 8.360 nan 0.000 0.452 19 I N 0.440 121.003 120.570 -0.012 0.000 2.264 19 I HA -0.296 3.873 4.170 -0.001 0.000 0.248 19 I C 2.490 178.606 176.117 -0.002 0.000 1.111 19 I CA 1.157 62.475 61.300 0.031 0.000 1.382 19 I CB -0.148 37.927 38.000 0.125 0.000 1.060 19 I HN 0.106 nan 8.210 nan 0.000 0.418 20 R N 0.771 121.230 120.500 -0.068 0.000 2.052 20 R HA -0.070 4.270 4.340 -0.001 0.000 0.226 20 R C 2.291 178.493 176.300 -0.165 0.000 1.145 20 R CA 1.006 56.960 56.100 -0.244 0.000 0.952 20 R CB -0.313 29.853 30.300 -0.224 0.000 0.847 20 R HN 0.204 nan 8.270 nan 0.000 0.431 21 K N 0.970 121.316 120.400 -0.090 0.000 2.077 21 K HA -0.259 4.061 4.320 -0.001 0.000 0.213 21 K C 2.189 178.760 176.600 -0.049 0.000 1.051 21 K CA 2.169 58.420 56.287 -0.060 0.000 0.929 21 K CB -0.331 32.142 32.500 -0.044 0.000 0.715 21 K HN 0.251 nan 8.250 nan 0.000 0.451 22 M N 1.064 120.635 119.600 -0.049 0.000 2.279 22 M HA -0.115 4.365 4.480 -0.001 0.000 0.264 22 M C 1.368 177.679 176.300 0.018 0.000 1.062 22 M CA 1.171 56.447 55.300 -0.040 0.000 1.099 22 M CB -0.037 32.517 32.600 -0.077 0.000 1.394 22 M HN 0.043 nan 8.290 nan 0.000 0.426 23 S N -0.438 115.281 115.700 0.032 0.000 2.695 23 S HA 0.120 4.590 4.470 -0.001 0.000 0.250 23 S C 0.791 175.461 174.600 0.117 0.000 1.355 23 S CA 0.653 58.926 58.200 0.122 0.000 0.965 23 S CB 0.702 63.963 63.200 0.102 0.000 0.987 23 S HN 0.728 nan 8.310 nan 0.000 0.576 24 V N -3.293 116.720 119.914 0.165 0.000 4.200 24 V HA 0.393 4.512 4.120 -0.001 0.000 0.332 24 V C -0.145 176.038 176.094 0.147 0.000 1.744 24 V CA 0.062 62.441 62.300 0.132 0.000 1.469 24 V CB -0.147 31.757 31.823 0.136 0.000 1.024 24 V HN 0.657 nan 8.190 nan 0.000 0.397 25 T N 0.519 115.193 114.554 0.200 0.000 2.853 25 T HA 0.785 5.135 4.350 -0.001 0.000 0.311 25 T C 0.514 175.314 174.700 0.167 0.000 1.307 25 T CA 0.303 62.496 62.100 0.156 0.000 1.019 25 T CB 1.983 70.910 68.868 0.099 0.000 1.264 25 T HN 0.453 nan 8.240 nan 0.000 0.497 26 A N 0.951 123.784 122.820 0.022 0.000 2.252 26 A HA 0.533 4.852 4.320 -0.001 0.000 0.213 26 A C 0.402 177.811 177.584 -0.292 0.000 1.188 26 A CA -0.041 51.832 52.037 -0.273 0.000 0.863 26 A CB -0.661 18.287 19.000 -0.087 0.000 0.893 26 A HN 0.854 nan 8.150 nan 0.000 0.495 27 I N -0.686 119.808 120.570 -0.126 0.000 6.340 27 I HA -0.263 3.907 4.170 -0.001 0.000 0.126 27 I C 0.584 176.641 176.117 -0.101 0.000 1.427 27 I CA 0.647 61.890 61.300 -0.094 0.000 2.506 27 I CB -1.028 36.917 38.000 -0.090 0.000 2.696 27 I HN 0.413 nan 8.210 nan 0.000 0.291 28 I N 1.623 122.152 120.570 -0.067 0.000 4.471 28 I HA 0.053 4.223 4.170 -0.001 0.000 0.326 28 I C 0.916 177.003 176.117 -0.050 0.000 1.300 28 I CA 0.247 61.511 61.300 -0.060 0.000 1.237 28 I CB 0.339 38.311 38.000 -0.046 0.000 1.195 28 I HN 0.533 nan 8.210 nan 0.000 0.427 29 T N 5.329 119.858 114.554 -0.042 0.000 2.814 29 T HA 0.217 4.567 4.350 -0.001 0.000 0.297 29 T C -2.050 172.625 174.700 -0.042 0.000 0.956 29 T CA -0.646 61.431 62.100 -0.037 0.000 1.123 29 T CB 0.912 69.764 68.868 -0.026 0.000 0.902 29 T HN 0.142 nan 8.240 nan 0.000 0.528 46 D N 0.504 120.909 120.400 0.008 0.000 3.449 46 D HA 0.352 4.992 4.640 -0.001 0.000 0.262 46 D C -1.936 174.375 176.300 0.019 0.000 1.343 46 D CA -0.608 53.399 54.000 0.012 0.000 0.787 46 D CB 0.097 40.897 40.800 0.001 0.000 1.412 46 D HN 0.216 nan 8.370 nan 0.000 0.652 47 P HA 0.031 nan 4.420 nan 0.000 0.212 47 P C 0.624 177.960 177.300 0.061 0.000 1.146 47 P CA 0.392 63.515 63.100 0.038 0.000 0.891 47 P CB 0.297 32.019 31.700 0.036 0.000 0.773 48 R N 0.905 121.456 120.500 0.086 0.000 3.081 48 R HA 0.331 4.671 4.340 -0.001 0.000 0.280 48 R C 0.223 176.657 176.300 0.224 0.000 1.372 48 R CA -0.106 56.081 56.100 0.146 0.000 1.242 48 R CB -0.968 29.406 30.300 0.124 0.000 1.316 48 R HN 0.302 nan 8.270 nan 0.000 0.585 49 L N 1.066 122.357 121.223 0.114 0.000 2.935 49 L HA 0.345 4.684 4.340 -0.001 0.000 0.243 49 L C 0.101 176.870 176.870 -0.169 0.000 1.313 49 L CA -0.405 54.451 54.840 0.027 0.000 0.969 49 L CB 0.649 42.715 42.059 0.011 0.000 1.320 49 L HN 0.561 nan 8.230 nan 0.000 0.511 50 G N 0.472 109.073 108.800 -0.331 0.000 2.892 50 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.686 50 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.686 50 G C -0.885 173.955 174.900 -0.099 0.000 1.244 50 G CA -0.896 43.982 45.100 -0.369 0.000 0.947 50 G HN 0.079 nan 8.290 nan 0.000 0.584 51 V N 4.735 124.632 119.914 -0.029 0.000 2.495 51 V HA 0.697 4.816 4.120 -0.001 0.000 0.298 51 V C 0.857 176.947 176.094 -0.006 0.000 1.031 51 V CA -0.737 61.560 62.300 -0.004 0.000 0.871 51 V CB 1.570 33.408 31.823 0.024 0.000 0.988 51 V HN 1.099 nan 8.190 nan 0.000 0.432 52 I N 1.719 122.283 120.570 -0.010 0.000 2.707 52 I HA 0.803 4.972 4.170 -0.001 0.000 0.309 52 I C -0.276 175.842 176.117 0.000 0.000 1.001 52 I CA -0.728 60.568 61.300 -0.007 0.000 1.129 52 I CB 1.311 39.301 38.000 -0.015 0.000 1.308 52 I HN 0.932 nan 8.210 nan 0.000 0.466 53 E N 1.765 121.967 120.200 0.003 0.000 8.269 53 E HA -0.078 4.271 4.350 -0.001 0.000 0.479 53 E C -2.549 174.057 176.600 0.011 0.000 1.009 53 E CA -0.366 56.037 56.400 0.006 0.000 1.890 53 E CB -1.016 28.686 29.700 0.005 0.000 0.983 53 E HN 0.587 nan 8.360 nan 0.000 0.262 54 P HA 0.065 nan 4.420 nan 0.000 0.272 54 P C -0.338 176.971 177.300 0.015 0.000 1.542 54 P CA 0.801 63.909 63.100 0.014 0.000 0.846 54 P CB -0.225 31.484 31.700 0.014 0.000 1.782 55 G N 0.796 109.606 108.800 0.016 0.000 2.356 55 G HA2 0.120 4.079 3.960 -0.001 0.000 0.312 55 G HA3 0.120 4.079 3.960 -0.001 0.000 0.312 55 G C 0.820 175.733 174.900 0.022 0.000 1.096 55 G CA -0.231 44.880 45.100 0.018 0.000 0.950 55 G HN 0.052 nan 8.290 nan 0.000 0.428 56 Q N 1.245 121.057 119.800 0.020 0.000 2.342 56 Q HA -0.292 4.047 4.340 -0.001 0.000 0.219 56 Q C 1.133 177.149 176.000 0.025 0.000 1.030 56 Q CA 2.651 58.466 55.803 0.021 0.000 0.982 56 Q CB -0.270 28.478 28.738 0.018 0.000 1.014 56 Q HN 0.842 nan 8.270 nan 0.000 0.420 57 K N -5.059 115.359 120.400 0.031 0.000 3.073 57 K HA 0.348 4.667 4.320 -0.001 0.000 0.300 57 K C -0.332 176.299 176.600 0.052 0.000 1.082 57 K CA -0.435 55.877 56.287 0.040 0.000 0.803 57 K CB -0.053 32.468 32.500 0.034 0.000 1.488 57 K HN 0.064 nan 8.250 nan 0.000 0.372 58 c N -2.597 116.048 118.600 0.075 0.000 3.077 58 c HA 0.543 5.113 4.570 -0.001 0.000 0.090 58 c C -1.716 172.434 174.090 0.100 0.000 2.474 58 c CA -0.128 56.262 56.329 0.102 0.000 1.174 58 c CB -0.726 41.880 42.510 0.160 0.000 2.044 58 c HN 0.784 nan 8.230 nan 0.000 0.523 59 P HA 0.174 nan 4.420 nan 0.000 0.226 59 P C 0.296 177.609 177.300 0.022 0.000 1.783 59 P CA 1.370 64.505 63.100 0.058 0.000 0.980 59 P CB -0.234 31.474 31.700 0.014 0.000 1.967 60 T N -0.075 114.498 114.554 0.031 0.000 7.714 60 T HA -0.248 4.101 4.350 -0.001 0.000 0.312 60 T C 0.944 175.652 174.700 0.014 0.000 1.937 60 T CA 1.443 63.555 62.100 0.019 0.000 2.886 60 T CB -1.975 66.899 68.868 0.011 0.000 2.426 60 T HN 0.401 nan 8.240 nan 0.000 1.226 61 C N 1.415 120.724 119.300 0.015 0.000 2.511 61 C HA 0.417 4.876 4.460 -0.001 0.000 0.277 61 C C 2.246 177.249 174.990 0.020 0.000 1.451 61 C CA 0.228 59.252 59.018 0.009 0.000 1.735 61 C CB -1.729 26.013 27.740 0.003 0.000 1.704 61 C HN 1.251 nan 8.230 nan 0.000 0.571 62 G N 2.077 110.893 108.800 0.025 0.000 2.356 62 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.296 62 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.296 62 G C -0.190 174.728 174.900 0.030 0.000 1.022 62 G CA 0.069 45.183 45.100 0.024 0.000 0.961 62 G HN 0.817 nan 8.290 nan 0.000 0.510 63 N N 1.272 119.997 118.700 0.042 0.000 2.739 63 N HA 0.228 4.968 4.740 -0.001 0.000 0.266 63 N C 1.590 177.123 175.510 0.040 0.000 1.168 63 N CA 0.118 53.197 53.050 0.048 0.000 1.055 63 N CB 0.394 38.927 38.487 0.075 0.000 1.393 63 N HN 0.400 nan 8.380 nan 0.000 0.514 64 T N 1.452 116.025 114.554 0.031 0.000 6.302 64 T HA -0.215 4.135 4.350 -0.001 0.000 0.354 64 T C 1.124 175.840 174.700 0.026 0.000 0.886 64 T CA 0.408 62.524 62.100 0.026 0.000 0.829 64 T CB -0.232 68.651 68.868 0.024 0.000 0.763 64 T HN 0.369 nan 8.240 nan 0.000 0.258 65 L N 2.331 123.568 121.223 0.024 0.000 3.036 65 L HA 0.125 4.465 4.340 -0.001 0.000 0.304 65 L C 1.759 178.642 176.870 0.022 0.000 1.203 65 L CA 0.155 55.009 54.840 0.023 0.000 1.194 65 L CB -1.824 40.249 42.059 0.024 0.000 1.517 65 L HN 0.906 nan 8.230 nan 0.000 0.423 66 G N 2.368 111.181 108.800 0.021 0.000 2.453 66 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.313 66 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.313 66 G C 0.854 175.768 174.900 0.023 0.000 0.948 66 G CA 1.006 46.117 45.100 0.019 0.000 0.846 66 G HN 0.815 nan 8.290 nan 0.000 0.512 67 N N -0.921 117.798 118.700 0.031 0.000 2.617 67 N HA 0.034 4.773 4.740 -0.001 0.000 0.198 67 N C 0.849 176.392 175.510 0.056 0.000 1.317 67 N CA 0.403 53.475 53.050 0.037 0.000 0.892 67 N CB -0.252 38.257 38.487 0.036 0.000 1.041 67 N HN 0.363 nan 8.380 nan 0.000 0.450 68 c N 1.892 120.527 118.600 0.058 0.000 2.416 68 c HA 0.234 4.804 4.570 -0.001 0.000 0.355 68 c C -0.585 173.530 174.090 0.042 0.000 1.211 68 c CA -2.055 54.331 56.329 0.095 0.000 1.699 68 c CB 0.111 42.664 42.510 0.073 0.000 2.310 68 c HN 0.469 nan 8.230 nan 0.000 0.539 69 P HA 0.005 nan 4.420 nan 0.000 0.215 69 P C 0.443 177.742 177.300 -0.002 0.000 1.163 69 P CA 1.987 65.127 63.100 0.066 0.000 0.894 69 P CB 0.063 31.838 31.700 0.126 0.000 0.791 70 G N 0.029 108.746 108.800 -0.140 0.000 2.897 70 G HA2 0.037 3.997 3.960 -0.001 0.000 0.392 70 G HA3 0.037 3.997 3.960 -0.001 0.000 0.392 70 G C -1.051 173.843 174.900 -0.010 0.000 1.263 70 G CA -0.827 44.140 45.100 -0.223 0.000 1.185 70 G HN 0.301 nan 8.290 nan 0.000 0.573 71 H N 2.380 121.574 119.070 0.207 0.000 2.488 71 H HA 0.552 5.108 4.556 -0.001 0.000 0.322 71 H C 0.674 176.221 175.328 0.364 0.000 1.078 71 H CA -0.922 55.288 56.048 0.269 0.000 1.260 71 H CB 0.765 30.614 29.762 0.145 0.000 1.425 71 H HN 0.386 nan 8.280 nan 0.000 0.471 72 F N 0.646 120.676 119.950 0.134 0.000 2.408 72 F HA 0.415 4.942 4.527 -0.000 0.000 0.303 72 F C 1.503 177.385 175.800 0.137 0.000 1.268 72 F CA 0.026 58.092 58.000 0.111 0.000 1.218 72 F CB 0.765 39.822 39.000 0.095 0.000 1.283 72 F HN 0.598 nan 8.300 nan 0.000 0.545 73 G N -1.384 107.624 108.800 0.348 0.000 3.085 73 G HA2 0.582 4.541 3.960 -0.001 0.000 0.264 73 G HA3 0.582 4.541 3.960 -0.001 0.000 0.264 73 G C -1.675 173.468 174.900 0.404 0.000 1.206 73 G CA -0.486 44.813 45.100 0.332 0.000 0.809 73 G HN 0.798 nan 8.290 nan 0.000 0.592 74 H N -2.435 116.700 119.070 0.109 0.000 2.932 74 H HA 0.570 5.125 4.556 -0.000 0.000 0.307 74 H C -1.299 174.070 175.328 0.068 0.000 1.391 74 H CA -0.787 55.324 56.048 0.106 0.000 1.130 74 H CB 1.314 31.146 29.762 0.117 0.000 1.836 74 H HN 0.430 nan 8.280 nan 0.000 0.522 75 I N -0.388 120.179 120.570 -0.006 0.000 4.557 75 I HA 0.084 4.253 4.170 -0.001 0.000 0.333 75 I C -0.172 175.933 176.117 -0.020 0.000 1.332 75 I CA 0.223 61.470 61.300 -0.088 0.000 1.240 75 I CB 0.090 38.059 38.000 -0.051 0.000 1.312 75 I HN 0.705 nan 8.210 nan 0.000 0.457 76 E N 1.527 121.783 120.200 0.093 0.000 2.966 76 E HA -0.192 4.158 4.350 -0.001 0.000 0.153 76 E C -0.452 176.188 176.600 0.066 0.000 1.949 76 E CA 0.429 56.898 56.400 0.115 0.000 0.672 76 E CB -0.852 28.917 29.700 0.115 0.000 1.072 76 E HN 0.316 nan 8.360 nan 0.000 0.344 77 L N 1.759 123.022 121.223 0.066 0.000 2.483 77 L HA 0.043 4.383 4.340 -0.001 0.000 0.275 77 L C 2.011 178.925 176.870 0.074 0.000 1.220 77 L CA 0.237 55.108 54.840 0.052 0.000 0.833 77 L CB 0.339 42.416 42.059 0.030 0.000 1.102 77 L HN 0.454 nan 8.230 nan 0.000 0.490 78 V N -0.919 119.075 119.914 0.134 0.000 3.307 78 V HA 0.234 4.353 4.120 -0.001 0.000 0.253 78 V C 0.672 176.914 176.094 0.247 0.000 1.149 78 V CA 0.172 62.612 62.300 0.234 0.000 1.112 78 V CB -0.114 31.915 31.823 0.344 0.000 0.777 78 V HN 0.782 nan 8.190 nan 0.000 0.464 79 R N 1.231 121.856 120.500 0.209 0.000 2.521 79 R HA 0.542 4.882 4.340 -0.001 0.000 0.295 79 R C -3.157 173.122 176.300 -0.034 0.000 1.183 79 R CA -2.097 53.994 56.100 -0.015 0.000 0.957 79 R CB 1.309 31.642 30.300 0.054 0.000 1.171 79 R HN 0.114 nan 8.270 nan 0.000 0.494 80 P HA -0.141 nan 4.420 nan 0.000 0.245 80 P C -0.388 176.842 177.300 -0.118 0.000 1.123 80 P CA 0.369 63.391 63.100 -0.130 0.000 0.853 80 P CB 0.057 31.660 31.700 -0.161 0.000 0.786 81 V N 2.324 122.176 119.914 -0.102 0.000 2.785 81 V HA 0.366 4.486 4.120 -0.001 0.000 0.300 81 V C 0.369 176.413 176.094 -0.084 0.000 1.062 81 V CA -0.983 61.263 62.300 -0.090 0.000 1.029 81 V CB 1.349 33.120 31.823 -0.087 0.000 1.024 81 V HN 0.224 nan 8.190 nan 0.000 0.477 82 I N 2.703 123.243 120.570 -0.050 0.000 2.304 82 I HA 0.312 4.482 4.170 -0.001 0.000 0.291 82 I C 0.367 176.547 176.117 0.105 0.000 1.018 82 I CA -0.252 61.059 61.300 0.018 0.000 1.260 82 I CB 0.319 38.331 38.000 0.021 0.000 1.390 82 I HN 0.878 nan 8.210 nan 0.000 0.475 83 H N 7.641 126.775 119.070 0.107 0.000 3.248 83 H HA -0.007 4.549 4.556 -0.000 0.000 0.258 83 H C 1.163 176.615 175.328 0.207 0.000 0.923 83 H CA 0.699 56.897 56.048 0.250 0.000 1.416 83 H CB 0.757 30.752 29.762 0.387 0.000 1.523 83 H HN 0.630 nan 8.280 nan 0.000 0.528 84 V N 4.005 124.109 119.914 0.316 0.000 2.370 84 V HA -0.254 3.866 4.120 -0.001 0.000 0.252 84 V C 2.398 178.713 176.094 0.368 0.000 1.068 84 V CA 2.015 64.478 62.300 0.273 0.000 1.061 84 V CB -1.133 30.784 31.823 0.157 0.000 0.656 84 V HN 0.718 nan 8.190 nan 0.000 0.455 85 G N -0.028 109.173 108.800 0.668 0.000 2.453 85 G HA2 0.035 3.995 3.960 -0.001 0.000 0.215 85 G HA3 0.035 3.995 3.960 -0.001 0.000 0.215 85 G C 1.412 176.399 174.900 0.144 0.000 1.147 85 G CA 0.463 45.775 45.100 0.353 0.000 0.802 85 G HN 0.540 nan 8.290 nan 0.000 0.535 86 L N 0.868 122.155 121.223 0.107 0.000 2.591 86 L HA 0.166 4.506 4.340 -0.001 0.000 0.228 86 L C 2.548 179.512 176.870 0.157 0.000 1.133 86 L CA -0.319 54.577 54.840 0.094 0.000 0.880 86 L CB 0.072 42.150 42.059 0.031 0.000 1.033 86 L HN 0.104 nan 8.230 nan 0.000 0.450 87 V N 1.036 121.049 119.914 0.166 0.000 2.233 87 V HA -0.370 3.750 4.120 -0.001 0.000 0.252 87 V C 2.588 178.774 176.094 0.152 0.000 1.063 87 V CA 2.081 64.487 62.300 0.176 0.000 1.032 87 V CB -0.209 31.710 31.823 0.160 0.000 0.645 87 V HN 0.512 nan 8.190 nan 0.000 0.446 88 K N -0.665 119.733 120.400 -0.002 0.000 2.173 88 K HA -0.223 4.097 4.320 -0.001 0.000 0.207 88 K C 1.939 178.531 176.600 -0.015 0.000 1.046 88 K CA 2.206 58.426 56.287 -0.112 0.000 0.929 88 K CB -0.944 31.397 32.500 -0.265 0.000 0.720 88 K HN 0.710 nan 8.250 nan 0.000 0.453 89 H N 0.187 119.398 119.070 0.234 0.000 2.388 89 H HA 0.196 4.752 4.556 -0.001 0.000 0.304 89 H C 2.267 177.844 175.328 0.415 0.000 1.049 89 H CA 0.649 56.907 56.048 0.350 0.000 1.371 89 H CB -0.137 29.867 29.762 0.404 0.000 1.436 89 H HN 0.075 nan 8.280 nan 0.000 0.544 90 I N 0.334 121.111 120.570 0.346 0.000 2.850 90 I HA -0.251 3.918 4.170 -0.001 0.000 0.266 90 I C 1.813 178.076 176.117 0.245 0.000 1.257 90 I CA 0.967 62.375 61.300 0.180 0.000 1.465 90 I CB -0.242 37.799 38.000 0.069 0.000 1.091 90 I HN 0.093 nan 8.210 nan 0.000 0.467 91 Y N 1.108 121.497 120.300 0.148 0.000 2.510 91 Y HA 0.031 4.581 4.550 -0.001 0.000 0.273 91 Y C 2.108 178.074 175.900 0.110 0.000 1.119 91 Y CA 0.824 58.984 58.100 0.100 0.000 1.286 91 Y CB 0.299 38.799 38.460 0.067 0.000 1.061 91 Y HN 0.160 nan 8.280 nan 0.000 0.542 92 E N -1.779 118.630 120.200 0.349 0.000 2.389 92 E HA -0.016 4.333 4.350 -0.001 0.000 0.199 92 E C 1.435 178.111 176.600 0.127 0.000 0.978 92 E CA 0.100 56.631 56.400 0.219 0.000 0.912 92 E CB -0.089 29.724 29.700 0.188 0.000 0.907 92 E HN 0.316 nan 8.360 nan 0.000 0.494 93 F N 1.572 121.539 119.950 0.028 0.000 2.134 93 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 93 F C 2.061 177.848 175.800 -0.022 0.000 1.097 93 F CA 1.198 59.173 58.000 -0.041 0.000 1.264 93 F CB -0.148 38.804 39.000 -0.081 0.000 1.001 93 F HN -0.026 nan 8.300 nan 0.000 0.479 94 L N -0.469 120.858 121.223 0.173 0.000 2.201 94 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 94 L C 1.638 178.533 176.870 0.041 0.000 1.105 94 L CA 1.118 56.001 54.840 0.071 0.000 0.775 94 L CB -0.801 41.264 42.059 0.009 0.000 0.913 94 L HN 0.044 nan 8.230 nan 0.000 0.440 95 K N 0.641 121.073 120.400 0.053 0.000 2.665 95 K HA 0.217 4.537 4.320 -0.001 0.000 0.196 95 K C 0.267 176.874 176.600 0.011 0.000 1.021 95 K CA 0.193 56.502 56.287 0.038 0.000 1.066 95 K CB -0.083 32.455 32.500 0.062 0.000 0.849 95 K HN 0.348 nan 8.250 nan 0.000 0.500 175 L N 0.590 121.773 121.223 -0.066 0.000 2.671 175 L HA 0.442 4.782 4.340 -0.001 0.000 0.188 175 L C 0.333 177.160 176.870 -0.071 0.000 1.165 175 L CA 0.396 55.193 54.840 -0.071 0.000 0.926 175 L CB 0.919 42.924 42.059 -0.089 0.000 1.664 175 L HN 0.767 nan 8.230 nan 0.000 0.512 176 T N -2.193 112.312 114.554 -0.082 0.000 2.906 176 T HA 0.465 4.815 4.350 -0.001 0.000 0.295 176 T C -2.261 172.378 174.700 -0.102 0.000 1.061 176 T CA -1.862 60.182 62.100 -0.092 0.000 1.000 176 T CB 1.747 70.553 68.868 -0.103 0.000 1.103 176 T HN 0.249 nan 8.240 nan 0.000 0.486 177 P HA -0.098 nan 4.420 nan 0.000 0.210 177 P C 1.684 178.908 177.300 -0.128 0.000 1.189 177 P CA 1.857 64.890 63.100 -0.112 0.000 0.920 177 P CB -0.091 31.540 31.700 -0.114 0.000 0.782 178 S N -1.641 113.966 115.700 -0.156 0.000 2.537 178 S HA -0.151 4.318 4.470 -0.001 0.000 0.240 178 S C 1.347 175.864 174.600 -0.137 0.000 0.981 178 S CA 1.592 59.694 58.200 -0.163 0.000 0.948 178 S CB -1.206 61.865 63.200 -0.214 0.000 0.759 178 S HN 0.094 nan 8.310 nan 0.000 0.531 179 D N 1.004 121.331 120.400 -0.123 0.000 2.324 179 D HA 0.295 4.935 4.640 -0.001 0.000 0.212 179 D C 1.714 177.961 176.300 -0.089 0.000 0.984 179 D CA 0.385 54.325 54.000 -0.101 0.000 0.885 179 D CB -0.052 40.692 40.800 -0.094 0.000 0.996 179 D HN 0.389 nan 8.370 nan 0.000 0.505 180 I N 0.383 120.897 120.570 -0.094 0.000 2.226 180 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 180 I C 2.417 178.482 176.117 -0.087 0.000 1.100 180 I CA 0.845 62.094 61.300 -0.085 0.000 1.374 180 I CB -0.216 37.732 38.000 -0.086 0.000 1.057 180 I HN -0.044 nan 8.210 nan 0.000 0.413 181 R N 1.196 121.634 120.500 -0.105 0.000 2.120 181 R HA -0.211 4.129 4.340 -0.001 0.000 0.234 181 R C 2.148 178.393 176.300 -0.092 0.000 1.123 181 R CA 1.532 57.563 56.100 -0.115 0.000 0.975 181 R CB -0.108 30.105 30.300 -0.145 0.000 0.866 181 R HN 0.376 nan 8.270 nan 0.000 0.446 182 E N -0.168 119.983 120.200 -0.083 0.000 2.427 182 E HA -0.104 4.246 4.350 -0.001 0.000 0.196 182 E C 1.624 178.194 176.600 -0.050 0.000 1.028 182 E CA 0.287 56.648 56.400 -0.064 0.000 0.864 182 E CB 0.246 29.906 29.700 -0.066 0.000 0.813 182 E HN 0.200 nan 8.360 nan 0.000 0.514 183 R N -0.308 120.161 120.500 -0.052 0.000 2.200 183 R HA 0.061 4.400 4.340 -0.001 0.000 0.208 183 R C 1.880 178.168 176.300 -0.020 0.000 1.033 183 R CA 0.473 56.553 56.100 -0.034 0.000 1.000 183 R CB 0.252 30.531 30.300 -0.035 0.000 0.906 183 R HN 0.283 nan 8.270 nan 0.000 0.462 184 L N -0.638 120.560 121.223 -0.041 0.000 2.500 184 L HA 0.107 4.447 4.340 -0.001 0.000 0.219 184 L C 1.783 178.632 176.870 -0.033 0.000 1.057 184 L CA 0.203 55.017 54.840 -0.043 0.000 0.854 184 L CB -0.159 41.825 42.059 -0.125 0.000 1.078 184 L HN -0.004 nan 8.230 nan 0.000 0.480 185 E N 1.344 121.520 120.200 -0.040 0.000 2.208 185 E HA -0.299 4.051 4.350 -0.001 0.000 0.202 185 E C 1.672 178.270 176.600 -0.004 0.000 1.014 185 E CA 1.529 57.916 56.400 -0.023 0.000 0.819 185 E CB -0.123 29.560 29.700 -0.028 0.000 0.735 185 E HN 0.487 nan 8.360 nan 0.000 0.469 186 K N 0.249 120.648 120.400 -0.001 0.000 2.305 186 K HA 0.100 4.420 4.320 -0.001 0.000 0.199 186 K C 0.695 177.309 176.600 0.023 0.000 1.047 186 K CA 0.134 56.427 56.287 0.009 0.000 0.976 186 K CB 0.271 32.774 32.500 0.005 0.000 0.765 186 K HN 0.073 nan 8.250 nan 0.000 0.474 187 I N 4.046 124.636 120.570 0.034 0.000 2.664 187 I HA 0.002 4.172 4.170 -0.001 0.000 0.284 187 I C -2.189 173.963 176.117 0.058 0.000 1.154 187 I CA -1.923 59.413 61.300 0.059 0.000 1.402 187 I CB 0.027 38.094 38.000 0.111 0.000 1.395 187 I HN -0.161 nan 8.210 nan 0.000 0.545 188 P HA -0.033 nan 4.420 nan 0.000 0.266 188 P C 0.033 177.368 177.300 0.059 0.000 1.193 188 P CA 0.018 63.145 63.100 0.045 0.000 0.770 188 P CB 0.557 32.279 31.700 0.037 0.000 0.836 189 D N 0.431 120.863 120.400 0.053 0.000 2.178 189 D HA -0.135 4.505 4.640 -0.001 0.000 0.201 189 D C 1.828 178.165 176.300 0.062 0.000 0.980 189 D CA 1.698 55.735 54.000 0.062 0.000 0.842 189 D CB -0.567 40.263 40.800 0.050 0.000 0.948 189 D HN 0.400 nan 8.370 nan 0.000 0.472 190 S N 0.166 115.895 115.700 0.048 0.000 2.402 190 S HA -0.149 4.321 4.470 -0.001 0.000 0.229 190 S C 1.542 176.169 174.600 0.045 0.000 1.021 190 S CA 1.088 59.313 58.200 0.042 0.000 0.974 190 S CB -0.249 62.969 63.200 0.031 0.000 0.800 190 S HN 0.061 nan 8.310 nan 0.000 0.484 191 D N 1.429 121.858 120.400 0.049 0.000 2.123 191 D HA 0.012 4.652 4.640 -0.001 0.000 0.200 191 D C 2.020 178.354 176.300 0.057 0.000 0.976 191 D CA 0.980 55.007 54.000 0.044 0.000 0.831 191 D CB -0.359 40.467 40.800 0.044 0.000 0.974 191 D HN 0.229 nan 8.370 nan 0.000 0.469 192 V N 1.317 121.288 119.914 0.096 0.000 2.222 192 V HA -0.363 3.756 4.120 -0.001 0.000 0.252 192 V C 2.166 178.349 176.094 0.150 0.000 1.060 192 V CA 2.034 64.422 62.300 0.146 0.000 1.027 192 V CB -0.682 31.252 31.823 0.185 0.000 0.644 192 V HN 0.275 nan 8.190 nan 0.000 0.448 193 E N 0.022 120.295 120.200 0.122 0.000 2.055 193 E HA -0.278 4.072 4.350 -0.001 0.000 0.209 193 E C 2.076 178.723 176.600 0.077 0.000 1.036 193 E CA 1.969 58.428 56.400 0.098 0.000 0.849 193 E CB -0.421 29.316 29.700 0.062 0.000 0.767 193 E HN 0.486 nan 8.360 nan 0.000 0.461 194 I N 0.459 121.060 120.570 0.052 0.000 2.545 194 I HA -0.296 3.874 4.170 -0.001 0.000 0.266 194 I C 1.871 178.005 176.117 0.028 0.000 1.139 194 I CA 1.447 62.766 61.300 0.031 0.000 1.434 194 I CB -1.270 36.741 38.000 0.019 0.000 1.115 194 I HN 0.123 nan 8.210 nan 0.000 0.459 195 L N -0.543 120.716 121.223 0.061 0.000 2.670 195 L HA 0.456 4.795 4.340 -0.001 0.000 0.177 195 L C 1.428 178.315 176.870 0.028 0.000 1.181 195 L CA 1.207 56.088 54.840 0.068 0.000 0.856 195 L CB -0.726 41.398 42.059 0.109 0.000 1.205 195 L HN 0.174 nan 8.230 nan 0.000 0.506 196 G N -1.416 107.406 108.800 0.036 0.000 4.340 196 G HA2 0.279 4.238 3.960 -0.001 0.000 0.232 196 G HA3 0.279 4.238 3.960 -0.001 0.000 0.232 196 G C -1.442 173.075 174.900 -0.639 0.000 3.572 196 G CA -0.304 44.627 45.100 -0.282 0.000 0.648 196 G HN -0.016 nan 8.290 nan 0.000 0.221 197 Y N -0.182 120.110 120.300 -0.014 0.000 2.482 197 Y HA 0.536 5.085 4.550 -0.001 0.000 0.334 197 Y C -1.087 174.834 175.900 0.036 0.000 1.091 197 Y CA -1.584 56.527 58.100 0.019 0.000 1.027 197 Y CB 2.285 40.810 38.460 0.108 0.000 1.306 197 Y HN 0.106 nan 8.280 nan 0.000 0.446 198 D N 5.207 125.703 120.400 0.159 0.000 2.467 198 D HA 0.292 4.931 4.640 -0.001 0.000 0.220 198 D C -2.566 173.799 176.300 0.109 0.000 1.103 198 D CA -2.240 51.824 54.000 0.107 0.000 0.886 198 D CB 1.110 41.947 40.800 0.062 0.000 1.025 198 D HN 0.106 nan 8.370 nan 0.000 0.514 199 P HA 0.015 nan 4.420 nan 0.000 0.280 199 P C 0.453 177.788 177.300 0.059 0.000 1.278 199 P CA 0.822 63.975 63.100 0.088 0.000 0.787 199 P CB 0.176 31.928 31.700 0.087 0.000 1.163 200 T N -5.498 109.084 114.554 0.046 0.000 7.578 200 T HA -0.226 4.123 4.350 -0.001 0.000 0.299 200 T C 0.603 175.314 174.700 0.018 0.000 2.097 200 T CA 2.089 64.206 62.100 0.028 0.000 3.248 200 T CB -3.270 65.613 68.868 0.025 0.000 2.014 200 T HN 0.827 nan 8.240 nan 0.000 1.198 201 T N -4.136 110.434 114.554 0.027 0.000 3.231 201 T HA 0.495 4.845 4.350 -0.001 0.000 0.269 201 T C 0.158 174.876 174.700 0.029 0.000 0.849 201 T CA 0.710 62.821 62.100 0.018 0.000 0.837 201 T CB 0.687 69.574 68.868 0.032 0.000 1.254 201 T HN 1.267 nan 8.240 nan 0.000 0.640 202 S N 1.893 117.625 115.700 0.053 0.000 2.614 202 S HA 0.578 5.047 4.470 -0.001 0.000 0.259 202 S C -1.472 173.178 174.600 0.083 0.000 1.118 202 S CA -0.814 57.429 58.200 0.072 0.000 1.065 202 S CB 0.702 63.964 63.200 0.103 0.000 1.121 202 S HN 0.697 nan 8.310 nan 0.000 0.458 203 R N 4.658 125.196 120.500 0.064 0.000 2.621 203 R HA 0.545 4.885 4.340 -0.001 0.000 0.292 203 R C -2.749 173.514 176.300 -0.061 0.000 0.969 203 R CA -1.863 54.256 56.100 0.032 0.000 0.887 203 R CB 0.940 31.278 30.300 0.064 0.000 1.180 203 R HN 0.318 nan 8.270 nan 0.000 0.450 204 P HA -0.076 nan 4.420 nan 0.000 0.230 204 P C 0.211 177.371 177.300 -0.234 0.000 1.158 204 P CA 0.899 63.669 63.100 -0.549 0.000 0.769 204 P CB 0.419 31.567 31.700 -0.920 0.000 0.807 205 E N -1.683 118.468 120.200 -0.083 0.000 2.274 205 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 205 E C 1.648 178.257 176.600 0.016 0.000 0.996 205 E CA 0.861 57.247 56.400 -0.023 0.000 0.840 205 E CB -0.331 29.385 29.700 0.028 0.000 0.772 205 E HN 0.359 nan 8.360 nan 0.000 0.491 206 W N 0.011 121.273 121.300 -0.063 0.000 2.777 206 W HA 0.190 4.849 4.660 -0.001 0.000 0.260 206 W C 1.528 178.049 176.519 0.004 0.000 1.194 206 W CA 0.037 57.373 57.345 -0.015 0.000 1.447 206 W CB 0.277 29.743 29.460 0.010 0.000 1.009 206 W HN -0.137 nan 8.180 nan 0.000 0.613 207 M N 0.733 120.511 119.600 0.295 0.000 2.494 207 M HA -0.231 4.249 4.480 -0.001 0.000 0.253 207 M C -0.263 176.073 176.300 0.059 0.000 1.103 207 M CA 1.216 56.664 55.300 0.247 0.000 1.021 207 M CB -0.851 31.783 32.600 0.055 0.000 1.374 207 M HN -0.152 nan 8.290 nan 0.000 0.444 208 I N 1.065 121.514 120.570 -0.201 0.000 2.313 208 I HA 0.168 4.338 4.170 -0.001 0.000 0.286 208 I C -0.137 175.659 176.117 -0.535 0.000 1.091 208 I CA -0.412 60.740 61.300 -0.247 0.000 1.216 208 I CB 0.324 38.200 38.000 -0.207 0.000 1.434 208 I HN 0.060 nan 8.210 nan 0.000 0.487 209 L N 6.061 127.009 121.223 -0.459 0.000 2.877 209 L HA -0.166 4.173 4.340 -0.001 0.000 0.287 209 L C 1.128 177.747 176.870 -0.419 0.000 1.112 209 L CA 0.564 55.089 54.840 -0.524 0.000 0.986 209 L CB -0.634 41.402 42.059 -0.039 0.000 1.384 209 L HN 0.668 nan 8.230 nan 0.000 0.460 210 T N 1.379 115.610 114.554 -0.538 0.000 3.034 210 T HA 0.138 4.488 4.350 -0.001 0.000 0.248 210 T C 0.482 175.176 174.700 -0.011 0.000 1.040 210 T CA 0.223 62.182 62.100 -0.235 0.000 1.107 210 T CB 0.558 69.275 68.868 -0.251 0.000 0.932 210 T HN 0.279 nan 8.240 nan 0.000 0.474 211 V N 3.005 123.003 119.914 0.142 0.000 2.398 211 V HA 0.456 4.575 4.120 -0.001 0.000 0.282 211 V C -1.006 175.302 176.094 0.357 0.000 1.014 211 V CA -1.095 61.362 62.300 0.262 0.000 0.838 211 V CB 1.633 33.646 31.823 0.318 0.000 1.018 211 V HN 0.217 nan 8.190 nan 0.000 0.432 212 L N 9.244 130.618 121.223 0.250 0.000 2.313 212 L HA 0.583 4.923 4.340 -0.001 0.000 0.282 212 L C -2.076 174.932 176.870 0.230 0.000 1.092 212 L CA -1.223 53.774 54.840 0.262 0.000 0.831 212 L CB 0.922 43.053 42.059 0.118 0.000 1.159 212 L HN 0.376 nan 8.230 nan 0.000 0.442 213 P HA 0.099 nan 4.420 nan 0.000 0.282 213 P C -1.048 176.351 177.300 0.165 0.000 1.249 213 P CA -0.334 62.928 63.100 0.270 0.000 0.806 213 P CB 1.523 33.435 31.700 0.353 0.000 0.984 214 V N 5.172 125.154 119.914 0.114 0.000 2.259 214 V HA 0.186 4.306 4.120 -0.001 0.000 0.267 214 V C -1.755 174.248 176.094 -0.151 0.000 1.051 214 V CA -1.913 60.390 62.300 0.004 0.000 0.830 214 V CB 0.575 32.398 31.823 0.000 0.000 1.080 214 V HN 0.576 nan 8.190 nan 0.000 0.467 215 P HA 0.113 nan 4.420 nan 0.000 0.265 215 P C -2.282 174.757 177.300 -0.435 0.000 1.187 215 P CA -0.811 61.811 63.100 -0.797 0.000 0.766 215 P CB 0.105 31.488 31.700 -0.528 0.000 0.820 216 P HA -0.084 nan 4.420 nan 0.000 0.276 216 P C 1.009 178.225 177.300 -0.140 0.000 1.286 216 P CA 0.324 63.297 63.100 -0.212 0.000 0.883 216 P CB 0.440 32.028 31.700 -0.186 0.000 1.125 217 I N -1.443 119.065 120.570 -0.103 0.000 3.265 217 I HA -0.052 4.118 4.170 -0.001 0.000 0.282 217 I C 2.130 178.207 176.117 -0.067 0.000 1.207 217 I CA 1.075 62.334 61.300 -0.069 0.000 1.449 217 I CB -2.044 35.926 38.000 -0.049 0.000 1.121 217 I HN 0.229 nan 8.210 nan 0.000 0.442 218 T N 3.263 117.769 114.554 -0.079 0.000 3.026 218 T HA -0.075 4.275 4.350 -0.001 0.000 0.271 218 T C 1.433 176.102 174.700 -0.052 0.000 1.149 218 T CA 0.927 62.991 62.100 -0.061 0.000 1.088 218 T CB -0.247 68.583 68.868 -0.063 0.000 0.857 218 T HN 0.325 nan 8.240 nan 0.000 0.551 219 I N -0.776 119.755 120.570 -0.065 0.000 3.658 219 I HA 0.424 4.594 4.170 -0.001 0.000 0.328 219 I C 0.257 176.339 176.117 -0.058 0.000 1.567 219 I CA -0.489 60.776 61.300 -0.059 0.000 1.078 219 I CB -0.478 37.483 38.000 -0.067 0.000 1.267 219 I HN 0.241 nan 8.210 nan 0.000 0.495 220 R N 0.836 121.304 120.500 -0.054 0.000 2.455 220 R HA 0.339 4.679 4.340 -0.001 0.000 0.256 220 R C -3.132 173.139 176.300 -0.047 0.000 0.804 220 R CA -0.495 55.574 56.100 -0.051 0.000 0.986 220 R CB -0.613 29.663 30.300 -0.040 0.000 1.350 220 R HN 0.104 nan 8.270 nan 0.000 0.632 221 P HA 0.217 nan 4.420 nan 0.000 0.279 221 P C -0.410 176.868 177.300 -0.037 0.000 1.282 221 P CA -0.124 62.956 63.100 -0.034 0.000 0.788 221 P CB 1.632 33.315 31.700 -0.029 0.000 1.139 233 D N 0.250 120.501 120.400 -0.249 0.000 2.312 233 D HA 0.149 4.789 4.640 -0.001 0.000 0.252 233 D C 0.371 176.422 176.300 -0.414 0.000 1.150 233 D CA 0.251 54.091 54.000 -0.267 0.000 0.870 233 D CB 0.754 41.474 40.800 -0.133 0.000 1.153 233 D HN 0.360 nan 8.370 nan 0.000 0.457 234 D N 3.266 123.430 120.400 -0.394 0.000 2.123 234 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 234 D C 1.816 178.065 176.300 -0.085 0.000 0.992 234 D CA 0.899 54.724 54.000 -0.293 0.000 0.833 234 D CB 0.117 40.832 40.800 -0.142 0.000 0.954 234 D HN 0.518 nan 8.370 nan 0.000 0.455 235 L N 0.687 121.869 121.223 -0.068 0.000 2.651 235 L HA -0.123 4.217 4.340 -0.001 0.000 0.236 235 L C 1.889 178.811 176.870 0.086 0.000 1.173 235 L CA 0.677 55.512 54.840 -0.009 0.000 0.843 235 L CB -0.410 41.622 42.059 -0.046 0.000 0.964 235 L HN 0.013 nan 8.230 nan 0.000 0.454 236 T N -3.720 110.866 114.554 0.052 0.000 3.028 236 T HA 0.048 4.398 4.350 -0.001 0.000 0.250 236 T C 1.597 176.410 174.700 0.189 0.000 0.979 236 T CA -0.152 62.012 62.100 0.107 0.000 1.004 236 T CB 0.073 68.973 68.868 0.053 0.000 1.120 236 T HN 0.324 nan 8.240 nan 0.000 0.482 237 H N 2.435 121.527 119.070 0.036 0.000 2.257 237 H HA -0.174 4.381 4.556 -0.001 0.000 0.292 237 H C 2.252 177.645 175.328 0.108 0.000 1.075 237 H CA 1.807 57.878 56.048 0.038 0.000 1.212 237 H CB 0.066 29.799 29.762 -0.047 0.000 1.354 237 H HN 0.299 nan 8.280 nan 0.000 0.497 238 K N 0.994 121.581 120.400 0.312 0.000 2.360 238 K HA -0.089 4.231 4.320 -0.001 0.000 0.201 238 K C 2.013 178.725 176.600 0.187 0.000 1.046 238 K CA 1.060 57.509 56.287 0.269 0.000 0.945 238 K CB -0.229 32.460 32.500 0.314 0.000 0.750 238 K HN 0.231 nan 8.250 nan 0.000 0.464 239 L N 0.672 122.006 121.223 0.186 0.000 2.093 239 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 239 L C 2.036 178.896 176.870 -0.017 0.000 1.085 239 L CA 0.876 55.732 54.840 0.027 0.000 0.755 239 L CB 0.017 42.126 42.059 0.083 0.000 0.904 239 L HN 0.068 nan 8.230 nan 0.000 0.435 240 V N -0.439 119.495 119.914 0.033 0.000 2.453 240 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 240 V C 1.962 178.026 176.094 -0.049 0.000 1.048 240 V CA 1.746 64.043 62.300 -0.006 0.000 1.049 240 V CB -0.606 31.226 31.823 0.015 0.000 0.672 240 V HN 0.470 nan 8.190 nan 0.000 0.457 241 D N 0.135 120.510 120.400 -0.041 0.000 2.178 241 D HA -0.100 4.539 4.640 -0.001 0.000 0.202 241 D C 2.069 178.212 176.300 -0.261 0.000 0.974 241 D CA 1.136 55.035 54.000 -0.167 0.000 0.841 241 D CB -0.107 40.607 40.800 -0.143 0.000 0.953 241 D HN 0.390 nan 8.370 nan 0.000 0.478 242 I N 0.537 121.020 120.570 -0.145 0.000 2.179 242 I HA -0.225 3.945 4.170 -0.001 0.000 0.242 242 I C 2.381 178.417 176.117 -0.136 0.000 1.088 242 I CA 0.733 61.952 61.300 -0.134 0.000 1.357 242 I CB -0.197 37.728 38.000 -0.125 0.000 1.051 242 I HN -0.104 nan 8.210 nan 0.000 0.409 243 V N 0.585 120.428 119.914 -0.117 0.000 2.427 243 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 243 V C 2.569 178.596 176.094 -0.112 0.000 1.051 243 V CA 1.661 63.900 62.300 -0.103 0.000 1.048 243 V CB -0.792 30.980 31.823 -0.084 0.000 0.666 243 V HN 0.358 nan 8.190 nan 0.000 0.456 244 R N -0.320 120.105 120.500 -0.125 0.000 2.091 244 R HA -0.105 4.235 4.340 -0.001 0.000 0.238 244 R C 2.100 178.309 176.300 -0.151 0.000 1.136 244 R CA 1.669 57.692 56.100 -0.128 0.000 0.959 244 R CB -0.221 29.999 30.300 -0.135 0.000 0.856 244 R HN 0.476 nan 8.270 nan 0.000 0.437 245 I N 0.398 120.855 120.570 -0.188 0.000 3.226 245 I HA -0.125 4.045 4.170 -0.001 0.000 0.277 245 I C 1.508 177.511 176.117 -0.190 0.000 1.243 245 I CA 0.305 61.489 61.300 -0.194 0.000 1.459 245 I CB -0.195 37.676 38.000 -0.215 0.000 1.093 245 I HN 0.170 nan 8.210 nan 0.000 0.453 246 N N 1.108 119.717 118.700 -0.151 0.000 2.207 246 N HA -0.167 4.572 4.740 -0.001 0.000 0.182 246 N C 1.733 177.163 175.510 -0.132 0.000 1.020 246 N CA 1.026 53.999 53.050 -0.128 0.000 0.858 246 N CB 0.021 38.461 38.487 -0.080 0.000 0.991 246 N HN 0.401 nan 8.380 nan 0.000 0.427 247 E N 1.034 121.165 120.200 -0.116 0.000 2.409 247 E HA -0.054 4.296 4.350 -0.001 0.000 0.198 247 E C 1.315 177.844 176.600 -0.120 0.000 1.024 247 E CA 0.414 56.755 56.400 -0.098 0.000 0.861 247 E CB 0.208 29.860 29.700 -0.081 0.000 0.788 247 E HN 0.242 nan 8.360 nan 0.000 0.521 248 R N -0.467 119.936 120.500 -0.162 0.000 2.276 248 R HA 0.110 4.449 4.340 -0.001 0.000 0.196 248 R C 1.944 178.092 176.300 -0.253 0.000 0.961 248 R CA 0.188 56.180 56.100 -0.180 0.000 1.024 248 R CB 0.260 30.450 30.300 -0.184 0.000 0.940 248 R HN 0.222 nan 8.270 nan 0.000 0.480 249 L N 0.025 121.048 121.223 -0.334 0.000 2.375 249 L HA 0.035 4.375 4.340 -0.001 0.000 0.215 249 L C 1.833 178.574 176.870 -0.216 0.000 1.108 249 L CA 0.801 55.335 54.840 -0.511 0.000 0.830 249 L CB -0.004 41.478 42.059 -0.962 0.000 0.959 249 L HN 0.028 nan 8.230 nan 0.000 0.457 250 K N 0.259 120.586 120.400 -0.122 0.000 2.167 250 K HA -0.080 4.240 4.320 -0.001 0.000 0.203 250 K C 1.694 178.271 176.600 -0.038 0.000 1.052 250 K CA 0.913 57.178 56.287 -0.037 0.000 0.956 250 K CB 0.140 32.623 32.500 -0.028 0.000 0.735 250 K HN 0.346 nan 8.250 nan 0.000 0.451 251 E N 0.316 120.474 120.200 -0.069 0.000 2.230 251 E HA -0.083 4.267 4.350 -0.001 0.000 0.192 251 E C 1.917 178.486 176.600 -0.052 0.000 0.987 251 E CA 1.156 57.523 56.400 -0.055 0.000 0.841 251 E CB 0.239 29.901 29.700 -0.064 0.000 0.783 251 E HN 0.247 nan 8.360 nan 0.000 0.481 252 S N 0.296 115.949 115.700 -0.079 0.000 2.458 252 S HA 0.079 4.549 4.470 -0.001 0.000 0.223 252 S C 1.936 176.539 174.600 0.006 0.000 1.019 252 S CA 0.054 58.219 58.200 -0.058 0.000 0.937 252 S CB 0.004 63.133 63.200 -0.118 0.000 0.788 252 S HN 0.119 nan 8.310 nan 0.000 0.511 253 I N 1.635 122.228 120.570 0.038 0.000 3.030 253 I HA 0.052 4.222 4.170 -0.001 0.000 0.270 253 I C 0.571 176.727 176.117 0.065 0.000 1.211 253 I CA 0.708 62.071 61.300 0.106 0.000 1.479 253 I CB 0.013 38.144 38.000 0.218 0.000 1.105 253 I HN 0.241 nan 8.210 nan 0.000 0.447 254 D N 1.509 121.931 120.400 0.038 0.000 2.538 254 D HA 0.327 4.966 4.640 -0.001 0.000 0.234 254 D C 0.535 176.845 176.300 0.016 0.000 1.191 254 D CA 0.276 54.292 54.000 0.026 0.000 0.828 254 D CB 0.741 41.553 40.800 0.019 0.000 0.981 254 D HN 0.331 nan 8.370 nan 0.000 0.490 255 A N -0.488 122.343 122.820 0.017 0.000 3.289 255 A HA 0.469 4.788 4.320 -0.001 0.000 0.115 255 A C 0.489 178.082 177.584 0.013 0.000 1.427 255 A CA -0.021 52.023 52.037 0.011 0.000 2.606 255 A CB -0.345 18.656 19.000 0.002 0.000 2.953 255 A HN 0.062 nan 8.150 nan 0.000 1.262 256 G N 1.088 109.893 108.800 0.008 0.000 2.916 256 G HA2 0.570 4.529 3.960 -0.001 0.000 0.280 256 G HA3 0.570 4.529 3.960 -0.001 0.000 0.280 256 G C 0.183 175.092 174.900 0.014 0.000 0.758 256 G CA 0.829 45.934 45.100 0.009 0.000 1.993 256 G HN 1.526 nan 8.290 nan 0.000 0.564 257 A N 3.594 126.431 122.820 0.027 0.000 2.506 257 A HA 0.586 4.906 4.320 -0.001 0.000 0.320 257 A C -2.081 175.532 177.584 0.049 0.000 1.424 257 A CA -1.316 50.748 52.037 0.045 0.000 1.044 257 A CB 0.509 19.553 19.000 0.073 0.000 1.140 257 A HN 0.338 nan 8.150 nan 0.000 0.538 258 P HA 0.086 nan 4.420 nan 0.000 0.244 258 P C 0.667 178.005 177.300 0.063 0.000 1.769 258 P CA -0.162 62.963 63.100 0.040 0.000 1.102 258 P CB 0.184 31.900 31.700 0.027 0.000 1.937 259 Q N 1.223 121.068 119.800 0.075 0.000 2.658 259 Q HA -0.087 4.253 4.340 -0.001 0.000 0.219 259 Q C 0.380 176.427 176.000 0.079 0.000 0.966 259 Q CA 0.999 56.861 55.803 0.099 0.000 0.988 259 Q CB -0.468 28.313 28.738 0.071 0.000 0.999 259 Q HN 0.452 nan 8.270 nan 0.000 0.591 260 L N -0.813 120.449 121.223 0.064 0.000 2.817 260 L HA 0.264 4.604 4.340 -0.001 0.000 0.248 260 L C 0.937 177.840 176.870 0.056 0.000 1.133 260 L CA -0.001 54.869 54.840 0.051 0.000 0.935 260 L CB 0.632 42.711 42.059 0.033 0.000 1.266 260 L HN 0.237 nan 8.230 nan 0.000 0.535 261 I N -1.372 119.236 120.570 0.063 0.000 4.338 261 I HA 0.057 4.227 4.170 -0.001 0.000 0.329 261 I C 1.644 177.799 176.117 0.063 0.000 1.378 261 I CA 0.321 61.652 61.300 0.052 0.000 1.170 261 I CB 1.039 39.056 38.000 0.028 0.000 1.206 261 I HN 0.015 nan 8.210 nan 0.000 0.432 262 I N 1.131 121.770 120.570 0.114 0.000 2.500 262 I HA -0.142 4.027 4.170 -0.001 0.000 0.252 262 I C 1.998 178.296 176.117 0.302 0.000 1.142 262 I CA 1.235 62.632 61.300 0.162 0.000 1.451 262 I CB 0.230 38.439 38.000 0.347 0.000 1.093 262 I HN 0.236 nan 8.210 nan 0.000 0.430 263 E N 0.641 121.029 120.200 0.312 0.000 2.267 263 E HA -0.257 4.093 4.350 -0.001 0.000 0.197 263 E C 1.279 178.007 176.600 0.213 0.000 0.998 263 E CA 1.427 58.014 56.400 0.310 0.000 0.830 263 E CB -0.108 29.684 29.700 0.153 0.000 0.751 263 E HN 0.615 nan 8.360 nan 0.000 0.491 264 D N 0.786 121.264 120.400 0.130 0.000 2.084 264 D HA -0.109 4.531 4.640 -0.001 0.000 0.196 264 D C 1.965 178.306 176.300 0.069 0.000 0.985 264 D CA 0.818 54.877 54.000 0.097 0.000 0.826 264 D CB -0.118 40.716 40.800 0.057 0.000 0.978 264 D HN 0.074 nan 8.370 nan 0.000 0.456 265 L N -0.639 120.557 121.223 -0.045 0.000 2.017 265 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 265 L C 2.242 179.034 176.870 -0.131 0.000 1.073 265 L CA 1.125 55.872 54.840 -0.154 0.000 0.745 265 L CB -0.576 41.266 42.059 -0.363 0.000 0.894 265 L HN 0.232 nan 8.230 nan 0.000 0.432 266 W N 0.745 122.037 121.300 -0.015 0.000 2.321 266 W HA -0.240 4.420 4.660 -0.000 0.000 0.306 266 W C 2.266 178.738 176.519 -0.079 0.000 1.217 266 W CA 0.784 58.102 57.345 -0.045 0.000 1.257 266 W CB -0.414 29.016 29.460 -0.051 0.000 1.145 266 W HN 0.196 nan 8.180 nan 0.000 0.509 267 D N -0.166 120.315 120.400 0.135 0.000 2.269 267 D HA -0.095 4.544 4.640 -0.001 0.000 0.208 267 D C 2.220 178.435 176.300 -0.142 0.000 0.963 267 D CA 0.931 54.863 54.000 -0.114 0.000 0.864 267 D CB -0.617 40.130 40.800 -0.089 0.000 0.936 267 D HN 0.189 nan 8.370 nan 0.000 0.505 268 L N 0.262 121.565 121.223 0.132 0.000 2.046 268 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 268 L C 2.360 179.408 176.870 0.296 0.000 1.077 268 L CA 0.714 55.749 54.840 0.326 0.000 0.747 268 L CB -0.297 41.924 42.059 0.270 0.000 0.896 268 L HN 0.070 nan 8.230 nan 0.000 0.432 269 L N -0.868 120.422 121.223 0.112 0.000 2.187 269 L HA -0.249 4.091 4.340 -0.001 0.000 0.213 269 L C 2.452 179.327 176.870 0.009 0.000 1.100 269 L CA 1.205 56.084 54.840 0.065 0.000 0.765 269 L CB -0.453 41.627 42.059 0.035 0.000 0.904 269 L HN 0.399 nan 8.230 nan 0.000 0.437 270 Q N -1.338 118.405 119.800 -0.094 0.000 2.269 270 Q HA -0.096 4.244 4.340 -0.001 0.000 0.201 270 Q C 1.784 177.680 176.000 -0.172 0.000 0.946 270 Q CA 1.039 56.722 55.803 -0.200 0.000 0.877 270 Q CB 0.147 28.679 28.738 -0.344 0.000 0.963 270 Q HN 0.574 nan 8.270 nan 0.000 0.472 271 Y N -1.648 118.645 120.300 -0.012 0.000 2.517 271 Y HA 0.001 4.551 4.550 -0.001 0.000 0.281 271 Y C 1.984 177.758 175.900 -0.209 0.000 1.125 271 Y CA 0.174 58.210 58.100 -0.107 0.000 1.283 271 Y CB 0.490 38.865 38.460 -0.143 0.000 1.042 271 Y HN 0.221 nan 8.280 nan 0.000 0.547 272 H N -1.911 117.218 119.070 0.099 0.000 2.422 272 H HA 0.021 4.576 4.556 -0.001 0.000 0.303 272 H C 2.308 177.641 175.328 0.008 0.000 1.033 272 H CA 1.005 57.088 56.048 0.059 0.000 1.335 272 H CB -0.054 29.732 29.762 0.040 0.000 1.458 272 H HN 0.097 nan 8.280 nan 0.000 0.556 273 V N 1.657 121.595 119.914 0.040 0.000 2.392 273 V HA -0.223 3.897 4.120 -0.001 0.000 0.249 273 V C 2.699 178.581 176.094 -0.353 0.000 1.059 273 V CA 1.662 63.864 62.300 -0.162 0.000 1.051 273 V CB -0.868 30.806 31.823 -0.249 0.000 0.658 273 V HN 0.422 nan 8.190 nan 0.000 0.455 274 A N -1.024 121.662 122.820 -0.223 0.000 2.066 274 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 274 A C 2.362 179.915 177.584 -0.051 0.000 1.157 274 A CA 1.981 53.901 52.037 -0.195 0.000 0.670 274 A CB -0.602 18.361 19.000 -0.062 0.000 0.804 274 A HN 0.474 nan 8.150 nan 0.000 0.453 275 T N -1.800 112.763 114.554 0.015 0.000 2.812 275 T HA -0.101 4.248 4.350 -0.001 0.000 0.264 275 T C 1.723 176.506 174.700 0.139 0.000 1.042 275 T CA 1.423 63.567 62.100 0.073 0.000 1.140 275 T CB -0.392 68.520 68.868 0.075 0.000 0.870 275 T HN 0.566 nan 8.240 nan 0.000 0.445 276 Y N 0.913 121.234 120.300 0.036 0.000 2.241 276 Y HA -0.192 4.357 4.550 -0.001 0.000 0.286 276 Y C 1.510 177.639 175.900 0.381 0.000 1.166 276 Y CA 1.261 59.452 58.100 0.151 0.000 1.203 276 Y CB -0.259 38.275 38.460 0.122 0.000 0.977 276 Y HN 0.186 nan 8.280 nan 0.000 0.529 277 F N -0.990 118.953 119.950 -0.011 0.000 2.315 277 F HA 0.181 4.707 4.527 -0.001 0.000 0.284 277 F C 0.784 176.562 175.800 -0.036 0.000 1.049 277 F CA 0.236 58.186 58.000 -0.083 0.000 1.323 277 F CB -0.645 38.324 39.000 -0.051 0.000 1.113 277 F HN -0.180 nan 8.300 nan 0.000 0.544 278 D N -0.703 119.820 120.400 0.205 0.000 2.575 278 D HA 0.191 4.831 4.640 -0.001 0.000 0.236 278 D C -0.256 176.094 176.300 0.084 0.000 1.075 278 D CA -0.055 54.020 54.000 0.125 0.000 0.860 278 D CB 2.194 43.072 40.800 0.129 0.000 1.475 278 D HN -0.101 nan 8.370 nan 0.000 0.474 279 N N 0.314 119.052 118.700 0.063 0.000 2.166 279 N HA -0.018 4.721 4.740 -0.001 0.000 0.213 279 N C 0.020 175.553 175.510 0.039 0.000 1.222 279 N CA 0.120 53.200 53.050 0.050 0.000 0.900 279 N CB 0.640 39.156 38.487 0.048 0.000 1.055 279 N HN 0.208 nan 8.380 nan 0.000 0.515 280 E N 0.697 120.922 120.200 0.043 0.000 2.419 280 E HA 0.114 4.464 4.350 -0.001 0.000 0.190 280 E C -0.026 176.595 176.600 0.034 0.000 1.040 280 E CA -0.250 56.170 56.400 0.034 0.000 0.900 280 E CB 0.237 29.957 29.700 0.034 0.000 1.054 280 E HN 0.317 nan 8.360 nan 0.000 0.462 281 I N 3.238 123.832 120.570 0.041 0.000 3.197 281 I HA -0.130 4.040 4.170 -0.001 0.000 0.293 281 I C -1.168 174.967 176.117 0.029 0.000 1.227 281 I CA -0.433 60.893 61.300 0.043 0.000 1.369 281 I CB -0.776 37.252 38.000 0.047 0.000 1.441 281 I HN -0.154 nan 8.210 nan 0.000 0.539 282 P HA -0.240 nan 4.420 nan 0.000 0.214 282 P C 1.060 178.367 177.300 0.011 0.000 0.989 282 P CA 1.751 64.860 63.100 0.016 0.000 1.008 282 P CB -0.065 31.643 31.700 0.014 0.000 0.747 283 G N -1.079 107.730 108.800 0.016 0.000 2.939 283 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.257 283 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.257 283 G C 1.034 175.934 174.900 -0.000 0.000 1.259 283 G CA -0.308 44.799 45.100 0.011 0.000 0.928 283 G HN 0.274 nan 8.290 nan 0.000 0.615 284 L N 1.076 122.292 121.223 -0.011 0.000 2.447 284 L HA -0.010 4.329 4.340 -0.001 0.000 0.225 284 L C -0.783 176.060 176.870 -0.045 0.000 1.148 284 L CA 0.119 54.943 54.840 -0.027 0.000 0.808 284 L CB -1.150 40.889 42.059 -0.033 0.000 0.928 284 L HN 0.342 nan 8.230 nan 0.000 0.448 285 P HA 0.010 nan 4.420 nan 0.000 0.253 285 P C -2.420 174.845 177.300 -0.059 0.000 1.170 285 P CA -0.345 62.709 63.100 -0.077 0.000 0.806 285 P CB -0.090 31.593 31.700 -0.029 0.000 0.775 286 P HA 0.453 nan 4.420 nan 0.000 0.307 286 P C -0.835 176.430 177.300 -0.058 0.000 1.307 286 P CA -0.810 62.258 63.100 -0.053 0.000 0.814 286 P CB 0.950 32.618 31.700 -0.053 0.000 1.311 287 S N -3.047 112.637 115.700 -0.028 0.000 3.033 287 S HA 0.210 4.680 4.470 -0.001 0.000 0.138 287 S C -0.574 174.048 174.600 0.038 0.000 0.720 287 S CA -0.977 57.217 58.200 -0.011 0.000 0.812 287 S CB -1.015 62.178 63.200 -0.012 0.000 1.509 287 S HN 0.284 nan 8.310 nan 0.000 0.561 288 K N 1.129 121.547 120.400 0.028 0.000 2.526 288 K HA 0.614 4.934 4.320 -0.001 0.000 0.256 288 K C -0.467 176.187 176.600 0.091 0.000 1.035 288 K CA -0.918 55.409 56.287 0.067 0.000 1.011 288 K CB 0.586 33.110 32.500 0.039 0.000 1.343 288 K HN 0.584 nan 8.250 nan 0.000 0.510 289 H N -0.278 118.824 119.070 0.054 0.000 2.980 289 H HA 0.101 4.656 4.556 -0.001 0.000 0.367 289 H C 0.378 175.734 175.328 0.047 0.000 1.206 289 H CA -0.472 55.615 56.048 0.066 0.000 1.126 289 H CB 1.708 31.549 29.762 0.131 0.000 1.838 289 H HN 0.517 nan 8.280 nan 0.000 0.552 290 R N 0.262 120.856 120.500 0.157 0.000 2.227 290 R HA -0.242 4.098 4.340 -0.001 0.000 0.246 290 R C 1.850 178.214 176.300 0.107 0.000 1.119 290 R CA 2.373 58.543 56.100 0.117 0.000 0.930 290 R CB -1.513 28.875 30.300 0.147 0.000 0.912 290 R HN 0.353 nan 8.270 nan 0.000 0.435 291 S N -0.495 115.286 115.700 0.136 0.000 2.488 291 S HA -0.055 4.415 4.470 -0.001 0.000 0.246 291 S C 1.512 176.152 174.600 0.066 0.000 0.992 291 S CA 1.778 60.029 58.200 0.085 0.000 0.963 291 S CB -0.854 62.393 63.200 0.078 0.000 0.754 291 S HN 0.916 nan 8.310 nan 0.000 0.519 292 G N 0.244 109.090 108.800 0.076 0.000 2.345 292 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 292 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 292 G C 0.041 174.974 174.900 0.056 0.000 1.058 292 G CA -0.052 45.079 45.100 0.053 0.000 0.632 292 G HN 0.554 nan 8.290 nan 0.000 0.508 293 R N 1.934 122.470 120.500 0.060 0.000 2.538 293 R HA 0.417 4.757 4.340 -0.001 0.000 0.282 293 R C -2.479 173.862 176.300 0.069 0.000 1.009 293 R CA -0.725 55.406 56.100 0.051 0.000 1.063 293 R CB 0.103 30.427 30.300 0.039 0.000 0.945 293 R HN 0.197 nan 8.270 nan 0.000 0.414 294 P HA 0.048 nan 4.420 nan 0.000 0.263 294 P C -0.487 176.850 177.300 0.061 0.000 1.601 294 P CA -0.171 62.962 63.100 0.056 0.000 1.161 294 P CB 0.243 31.964 31.700 0.035 0.000 1.730 295 L N 2.059 123.337 121.223 0.091 0.000 4.393 295 L HA -0.261 4.079 4.340 -0.001 0.000 0.539 295 L C 0.621 177.515 176.870 0.040 0.000 1.009 295 L CA 0.473 55.361 54.840 0.080 0.000 0.545 295 L CB -0.400 41.736 42.059 0.129 0.000 0.724 295 L HN 0.328 nan 8.230 nan 0.000 1.058 296 R N 2.190 122.695 120.500 0.009 0.000 2.309 296 R HA 0.230 4.569 4.340 -0.001 0.000 0.331 296 R C 0.451 176.746 176.300 -0.008 0.000 1.116 296 R CA -0.072 56.027 56.100 -0.002 0.000 0.970 296 R CB 0.335 30.624 30.300 -0.019 0.000 1.024 296 R HN 0.593 nan 8.270 nan 0.000 0.472 297 T N -0.448 114.109 114.554 0.005 0.000 2.895 297 T HA 0.297 4.647 4.350 -0.001 0.000 0.283 297 T C 1.346 176.023 174.700 -0.038 0.000 1.014 297 T CA -0.986 61.106 62.100 -0.012 0.000 1.037 297 T CB 1.083 69.964 68.868 0.022 0.000 1.006 297 T HN 0.510 nan 8.240 nan 0.000 0.468 298 L N 2.174 123.329 121.223 -0.112 0.000 2.386 298 L HA -0.389 3.951 4.340 -0.001 0.000 0.248 298 L C 2.824 179.674 176.870 -0.034 0.000 1.129 298 L CA 2.761 57.527 54.840 -0.124 0.000 0.812 298 L CB -1.305 40.609 42.059 -0.242 0.000 0.995 298 L HN 1.031 nan 8.230 nan 0.000 0.419 299 A N -1.369 121.455 122.820 0.006 0.000 1.903 299 A HA -0.372 3.948 4.320 -0.001 0.000 0.219 299 A C 1.958 179.568 177.584 0.044 0.000 1.191 299 A CA 2.426 54.491 52.037 0.046 0.000 0.638 299 A CB -0.841 18.208 19.000 0.081 0.000 0.823 299 A HN 0.763 nan 8.150 nan 0.000 0.451 300 Q N -0.357 119.463 119.800 0.034 0.000 2.181 300 Q HA -0.129 4.210 4.340 -0.001 0.000 0.205 300 Q C 1.122 177.140 176.000 0.029 0.000 0.980 300 Q CA 1.064 56.886 55.803 0.031 0.000 0.862 300 Q CB -0.179 28.574 28.738 0.024 0.000 0.905 300 Q HN 0.432 nan 8.270 nan 0.000 0.429 301 R N 0.044 120.555 120.500 0.019 0.000 2.459 301 R HA 0.235 4.574 4.340 -0.001 0.000 0.281 301 R C 0.649 176.980 176.300 0.051 0.000 1.050 301 R CA 0.317 56.428 56.100 0.018 0.000 1.055 301 R CB 0.402 30.695 30.300 -0.011 0.000 1.045 301 R HN 0.538 nan 8.270 nan 0.000 0.495 302 L N 0.050 121.317 121.223 0.072 0.000 5.044 302 L HA -0.272 4.068 4.340 -0.001 0.000 0.412 302 L C 0.481 177.486 176.870 0.226 0.000 0.971 302 L CA 1.559 56.496 54.840 0.162 0.000 1.411 302 L CB -1.318 40.858 42.059 0.195 0.000 1.884 302 L HN 0.543 nan 8.230 nan 0.000 0.631 303 K N 1.094 121.568 120.400 0.123 0.000 1.983 303 K HA 0.236 4.555 4.320 -0.001 0.000 0.225 303 K C 1.255 177.903 176.600 0.080 0.000 1.030 303 K CA 1.799 58.138 56.287 0.086 0.000 1.027 303 K CB -0.814 31.719 32.500 0.055 0.000 0.757 303 K HN 0.640 nan 8.250 nan 0.000 0.444 304 G N -0.566 108.274 108.800 0.067 0.000 3.286 304 G HA2 0.132 4.092 3.960 -0.001 0.000 0.166 304 G HA3 0.132 4.092 3.960 -0.001 0.000 0.166 304 G C 0.782 175.720 174.900 0.065 0.000 1.155 304 G CA -0.056 45.080 45.100 0.060 0.000 0.871 304 G HN 0.241 nan 8.290 nan 0.000 0.637 305 K N -0.390 120.041 120.400 0.052 0.000 2.117 305 K HA -0.221 4.099 4.320 -0.001 0.000 0.215 305 K C 1.837 178.463 176.600 0.043 0.000 1.053 305 K CA 2.312 58.626 56.287 0.046 0.000 0.935 305 K CB -0.055 32.468 32.500 0.038 0.000 0.719 305 K HN 0.459 nan 8.250 nan 0.000 0.460 306 E N -0.937 119.287 120.200 0.039 0.000 2.501 306 E HA 0.101 4.451 4.350 -0.001 0.000 0.200 306 E C 0.587 177.209 176.600 0.036 0.000 1.016 306 E CA -0.166 56.253 56.400 0.032 0.000 0.921 306 E CB 0.675 30.388 29.700 0.022 0.000 1.034 306 E HN 0.419 nan 8.360 nan 0.000 0.468 307 G N 0.432 109.267 108.800 0.058 0.000 2.421 307 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.238 307 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.238 307 G C 0.775 175.708 174.900 0.055 0.000 1.544 307 G CA -0.131 45.014 45.100 0.075 0.000 1.044 307 G HN 0.213 nan 8.290 nan 0.000 0.537 308 R N -1.930 118.608 120.500 0.064 0.000 2.419 308 R HA 0.274 4.614 4.340 -0.001 0.000 0.235 308 R C 1.807 178.017 176.300 -0.150 0.000 0.899 308 R CA -0.102 55.959 56.100 -0.065 0.000 1.048 308 R CB 0.221 30.434 30.300 -0.145 0.000 1.182 308 R HN 0.443 nan 8.270 nan 0.000 0.544 309 F N 0.656 120.611 119.950 0.009 0.000 2.138 309 F HA 0.156 4.683 4.527 -0.000 0.000 0.283 309 F C 2.157 177.961 175.800 0.007 0.000 1.100 309 F CA 0.941 58.947 58.000 0.010 0.000 1.189 309 F CB -0.100 38.905 39.000 0.009 0.000 1.060 309 F HN -0.194 nan 8.300 nan 0.000 0.492 310 R N 0.144 120.774 120.500 0.216 0.000 2.237 310 R HA 0.002 4.342 4.340 -0.001 0.000 0.219 310 R C 2.111 178.452 176.300 0.068 0.000 1.080 310 R CA 0.948 57.116 56.100 0.113 0.000 0.995 310 R CB -0.795 29.559 30.300 0.090 0.000 0.875 310 R HN 0.417 nan 8.270 nan 0.000 0.462 311 G N 1.060 109.895 108.800 0.058 0.000 2.486 311 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.210 311 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.210 311 G C 0.924 175.826 174.900 0.004 0.000 1.168 311 G CA 0.024 45.140 45.100 0.026 0.000 0.820 311 G HN 0.261 nan 8.290 nan 0.000 0.544 312 N N -0.475 118.213 118.700 -0.021 0.000 2.217 312 N HA 0.175 4.914 4.740 -0.001 0.000 0.239 312 N C 0.399 175.873 175.510 -0.059 0.000 1.330 312 N CA -0.141 52.887 53.050 -0.036 0.000 0.838 312 N CB 1.245 39.704 38.487 -0.046 0.000 1.287 312 N HN 0.115 nan 8.380 nan 0.000 0.498 313 L N -0.147 121.040 121.223 -0.060 0.000 2.586 313 L HA 0.327 4.667 4.340 -0.001 0.000 0.204 313 L C 1.653 178.519 176.870 -0.005 0.000 1.053 313 L CA 1.247 56.043 54.840 -0.073 0.000 0.856 313 L CB -0.276 41.674 42.059 -0.181 0.000 1.192 313 L HN -0.053 nan 8.230 nan 0.000 0.484 314 S N -0.930 114.789 115.700 0.032 0.000 2.554 314 S HA 0.566 5.036 4.470 -0.001 0.000 0.226 314 S C 0.395 175.011 174.600 0.027 0.000 0.980 314 S CA 0.281 58.506 58.200 0.042 0.000 0.939 314 S CB -0.020 63.223 63.200 0.072 0.000 0.832 314 S HN 0.404 nan 8.310 nan 0.000 0.486 315 G N 0.841 109.653 108.800 0.020 0.000 2.759 315 G HA2 0.607 4.567 3.960 -0.001 0.000 0.297 315 G HA3 0.607 4.567 3.960 -0.001 0.000 0.297 315 G C -1.873 173.035 174.900 0.013 0.000 1.434 315 G CA -0.642 44.469 45.100 0.018 0.000 0.980 315 G HN 0.182 nan 8.290 nan 0.000 0.531 316 K N 1.268 121.679 120.400 0.019 0.000 2.557 316 K HA 0.342 4.661 4.320 -0.001 0.000 0.261 316 K C -0.303 176.317 176.600 0.032 0.000 0.932 316 K CA -1.011 55.287 56.287 0.018 0.000 0.829 316 K CB 2.874 35.382 32.500 0.014 0.000 1.358 316 K HN 0.577 nan 8.250 nan 0.000 0.430 317 R N 0.782 121.298 120.500 0.026 0.000 2.738 317 R HA 0.318 4.657 4.340 -0.001 0.000 0.268 317 R C 0.161 176.488 176.300 0.045 0.000 1.062 317 R CA -0.552 55.567 56.100 0.032 0.000 1.158 317 R CB 0.268 30.578 30.300 0.016 0.000 1.046 317 R HN 0.434 nan 8.270 nan 0.000 0.493 318 V N -2.013 117.934 119.914 0.057 0.000 2.841 318 V HA 0.320 4.440 4.120 -0.001 0.000 0.310 318 V C -0.568 175.574 176.094 0.080 0.000 1.090 318 V CA -1.369 60.980 62.300 0.083 0.000 0.930 318 V CB 2.243 34.150 31.823 0.141 0.000 1.014 318 V HN 0.548 nan 8.190 nan 0.000 0.425 319 D N 2.129 122.606 120.400 0.129 0.000 2.400 319 D HA 0.360 5.000 4.640 -0.001 0.000 0.238 319 D C 0.426 176.931 176.300 0.342 0.000 1.157 319 D CA 0.835 54.937 54.000 0.169 0.000 0.889 319 D CB 0.545 41.502 40.800 0.261 0.000 1.199 319 D HN 0.812 nan 8.370 nan 0.000 0.436 320 F N -1.295 118.626 119.950 -0.048 0.000 2.502 320 F HA -0.299 4.228 4.527 -0.000 0.000 0.480 320 F C 1.336 177.077 175.800 -0.097 0.000 0.543 320 F CA 0.736 58.707 58.000 -0.048 0.000 1.350 320 F CB -1.678 37.312 39.000 -0.018 0.000 1.999 320 F HN 0.303 nan 8.300 nan 0.000 0.267 321 S N 0.211 115.884 115.700 -0.044 0.000 2.553 321 S HA 0.403 4.873 4.470 -0.001 0.000 0.271 321 S C 0.359 174.894 174.600 -0.108 0.000 1.362 321 S CA 0.908 58.962 58.200 -0.243 0.000 1.010 321 S CB 1.056 64.131 63.200 -0.208 0.000 0.865 321 S HN 0.646 nan 8.310 nan 0.000 0.543 322 S N 1.463 117.112 115.700 -0.085 0.000 2.546 322 S HA 0.335 4.805 4.470 -0.001 0.000 0.303 322 S C -1.278 173.461 174.600 0.231 0.000 1.067 322 S CA -0.671 57.586 58.200 0.094 0.000 0.944 322 S CB 0.680 64.014 63.200 0.223 0.000 1.155 322 S HN 0.845 nan 8.310 nan 0.000 0.449 323 R N 2.869 123.480 120.500 0.185 0.000 2.494 323 R HA 0.813 5.153 4.340 -0.001 0.000 0.305 323 R C -1.007 175.377 176.300 0.139 0.000 0.959 323 R CA -0.195 56.028 56.100 0.205 0.000 0.864 323 R CB 1.677 32.010 30.300 0.056 0.000 1.159 323 R HN 0.684 nan 8.270 nan 0.000 0.446 324 T N 1.421 116.086 114.554 0.186 0.000 2.731 324 T HA 0.216 4.565 4.350 -0.001 0.000 0.300 324 T C -0.550 174.188 174.700 0.062 0.000 1.283 324 T CA -0.672 61.403 62.100 -0.042 0.000 1.005 324 T CB 1.213 69.822 68.868 -0.432 0.000 1.420 324 T HN 0.448 nan 8.240 nan 0.000 0.503 325 V N 0.587 120.502 119.914 0.003 0.000 2.924 325 V HA 0.689 4.809 4.120 -0.001 0.000 0.305 325 V C 0.166 176.337 176.094 0.128 0.000 1.073 325 V CA -0.723 61.608 62.300 0.052 0.000 1.098 325 V CB -0.061 31.779 31.823 0.028 0.000 1.000 325 V HN 0.861 nan 8.190 nan 0.000 0.484 326 I N 1.362 122.040 120.570 0.179 0.000 2.392 326 I HA 0.762 4.932 4.170 -0.001 0.000 0.295 326 I C 0.013 176.380 176.117 0.416 0.000 0.985 326 I CA -0.108 61.374 61.300 0.303 0.000 1.221 326 I CB 1.722 39.868 38.000 0.244 0.000 1.366 326 I HN 0.602 nan 8.210 nan 0.000 0.467 327 S N 5.653 121.524 115.700 0.285 0.000 2.537 327 S HA 0.617 5.086 4.470 -0.001 0.000 0.301 327 S C -2.568 171.762 174.600 -0.449 0.000 1.092 327 S CA -1.208 56.982 58.200 -0.017 0.000 1.048 327 S CB 1.766 64.936 63.200 -0.049 0.000 1.053 327 S HN 0.554 nan 8.310 nan 0.000 0.501 328 P HA 0.430 nan 4.420 nan 0.000 0.279 328 P C -1.239 175.814 177.300 -0.413 0.000 1.239 328 P CA -0.284 62.102 63.100 -1.190 0.000 0.789 328 P CB 0.477 31.436 31.700 -1.235 0.000 0.933 329 D N 3.205 123.485 120.400 -0.201 0.000 2.386 329 D HA 0.220 4.860 4.640 -0.001 0.000 0.247 329 D C -2.051 174.247 176.300 -0.004 0.000 1.336 329 D CA -1.961 51.990 54.000 -0.082 0.000 0.976 329 D CB 1.466 42.239 40.800 -0.045 0.000 1.257 329 D HN -0.010 nan 8.370 nan 0.000 0.570 330 P HA -0.091 nan 4.420 nan 0.000 0.215 330 P C 0.219 177.574 177.300 0.092 0.000 1.157 330 P CA 0.947 64.109 63.100 0.103 0.000 0.868 330 P CB 0.396 32.135 31.700 0.065 0.000 0.788 331 N N -0.035 118.693 118.700 0.046 0.000 2.366 331 N HA 0.274 5.013 4.740 -0.001 0.000 0.277 331 N C 0.017 175.542 175.510 0.025 0.000 1.275 331 N CA -0.257 52.813 53.050 0.035 0.000 0.964 331 N CB -0.109 38.391 38.487 0.022 0.000 1.167 331 N HN -0.208 nan 8.380 nan 0.000 0.568 332 I N -0.751 119.831 120.570 0.020 0.000 7.320 332 I HA -0.224 3.946 4.170 -0.001 0.000 0.126 332 I C 0.585 176.717 176.117 0.024 0.000 1.838 332 I CA -0.048 61.262 61.300 0.018 0.000 2.037 332 I CB -1.743 36.262 38.000 0.010 0.000 3.632 332 I HN 0.618 nan 8.210 nan 0.000 0.169 333 S N 5.227 120.942 115.700 0.024 0.000 2.540 333 S HA 0.135 4.605 4.470 -0.001 0.000 0.272 333 S C 1.762 176.379 174.600 0.029 0.000 1.357 333 S CA 0.599 58.813 58.200 0.024 0.000 1.011 333 S CB 0.420 63.641 63.200 0.036 0.000 0.852 333 S HN 0.464 nan 8.310 nan 0.000 0.535 334 I N 1.506 122.088 120.570 0.020 0.000 2.151 334 I HA -0.193 3.976 4.170 -0.001 0.000 0.243 334 I C 2.061 178.172 176.117 -0.010 0.000 1.080 334 I CA 1.801 63.110 61.300 0.015 0.000 1.339 334 I CB -0.536 37.468 38.000 0.007 0.000 1.039 334 I HN 0.655 nan 8.210 nan 0.000 0.409 335 D N 0.609 121.004 120.400 -0.009 0.000 2.117 335 D HA -0.070 4.569 4.640 -0.001 0.000 0.198 335 D C 0.982 177.269 176.300 -0.022 0.000 0.982 335 D CA 0.783 54.736 54.000 -0.079 0.000 0.828 335 D CB -0.112 40.686 40.800 -0.004 0.000 0.967 335 D HN 0.401 nan 8.370 nan 0.000 0.464 336 E N -0.260 119.959 120.200 0.032 0.000 2.416 336 E HA 0.287 4.637 4.350 -0.001 0.000 0.254 336 E C -0.537 176.072 176.600 0.016 0.000 1.241 336 E CA -0.101 56.318 56.400 0.032 0.000 0.969 336 E CB 1.412 31.124 29.700 0.020 0.000 0.999 336 E HN -0.199 nan 8.360 nan 0.000 0.481 337 V N 0.361 120.217 119.914 -0.096 0.000 2.733 337 V HA 0.345 4.465 4.120 -0.001 0.000 0.306 337 V C -0.092 175.920 176.094 -0.137 0.000 1.084 337 V CA -0.831 61.292 62.300 -0.296 0.000 0.905 337 V CB 2.108 33.547 31.823 -0.640 0.000 1.010 337 V HN 0.777 nan 8.190 nan 0.000 0.424 338 G N 3.419 112.172 108.800 -0.079 0.000 2.360 338 G HA2 0.501 4.460 3.960 -0.001 0.000 0.279 338 G HA3 0.501 4.460 3.960 -0.001 0.000 0.279 338 G C -0.678 174.278 174.900 0.094 0.000 1.189 338 G CA -0.061 45.042 45.100 0.004 0.000 0.941 338 G HN 0.578 nan 8.290 nan 0.000 0.445 339 V N 5.348 125.295 119.914 0.055 0.000 2.487 339 V HA 0.308 4.428 4.120 -0.001 0.000 0.298 339 V C -2.137 173.937 176.094 -0.033 0.000 1.028 339 V CA -1.899 60.466 62.300 0.108 0.000 0.860 339 V CB 2.439 34.340 31.823 0.130 0.000 0.991 339 V HN 0.531 nan 8.190 nan 0.000 0.427 340 P HA 0.063 nan 4.420 nan 0.000 0.266 340 P C 0.871 178.091 177.300 -0.133 0.000 1.195 340 P CA 0.185 63.201 63.100 -0.140 0.000 0.768 340 P CB 0.733 32.320 31.700 -0.190 0.000 0.838 341 E N 2.774 122.866 120.200 -0.180 0.000 2.219 341 E HA -0.207 4.142 4.350 -0.001 0.000 0.198 341 E C 1.223 177.790 176.600 -0.056 0.000 0.998 341 E CA 1.176 57.447 56.400 -0.215 0.000 0.818 341 E CB -0.061 29.495 29.700 -0.239 0.000 0.741 341 E HN 0.268 nan 8.360 nan 0.000 0.477 342 I N 1.205 121.744 120.570 -0.052 0.000 2.141 342 I HA -0.259 3.910 4.170 -0.001 0.000 0.236 342 I C 2.397 178.509 176.117 -0.008 0.000 1.071 342 I CA 0.864 62.154 61.300 -0.017 0.000 1.345 342 I CB -1.460 36.510 38.000 -0.049 0.000 1.066 342 I HN 0.181 nan 8.210 nan 0.000 0.406 343 I N 1.660 122.205 120.570 -0.041 0.000 2.399 343 I HA -0.260 3.910 4.170 -0.001 0.000 0.254 343 I C 2.650 178.796 176.117 0.048 0.000 1.146 343 I CA 1.604 62.897 61.300 -0.012 0.000 1.412 343 I CB -1.523 36.457 38.000 -0.032 0.000 1.076 343 I HN 0.186 nan 8.210 nan 0.000 0.432 344 A N 0.426 123.284 122.820 0.063 0.000 2.014 344 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 344 A C 2.359 180.064 177.584 0.202 0.000 1.163 344 A CA 1.006 53.130 52.037 0.146 0.000 0.652 344 A CB -0.166 18.910 19.000 0.126 0.000 0.808 344 A HN 0.375 nan 8.150 nan 0.000 0.449 345 K N -0.751 119.746 120.400 0.161 0.000 2.056 345 K HA -0.022 4.297 4.320 -0.001 0.000 0.205 345 K C 2.127 178.606 176.600 -0.201 0.000 1.035 345 K CA 1.437 57.760 56.287 0.060 0.000 0.955 345 K CB -0.571 32.098 32.500 0.281 0.000 0.769 345 K HN 0.467 nan 8.250 nan 0.000 0.447 346 T N 2.221 116.720 114.554 -0.092 0.000 2.680 346 T HA -0.166 4.183 4.350 -0.001 0.000 0.268 346 T C 1.186 175.780 174.700 -0.177 0.000 1.033 346 T CA 1.065 63.086 62.100 -0.132 0.000 1.152 346 T CB -0.494 68.317 68.868 -0.096 0.000 0.859 346 T HN 0.005 nan 8.240 nan 0.000 0.452 347 L N 2.011 123.174 121.223 -0.100 0.000 2.436 347 L HA 0.465 4.805 4.340 -0.001 0.000 0.265 347 L C 0.616 177.499 176.870 0.021 0.000 1.168 347 L CA -0.477 54.336 54.840 -0.045 0.000 0.815 347 L CB 0.839 42.952 42.059 0.090 0.000 1.109 347 L HN 0.381 nan 8.230 nan 0.000 0.462 348 T N -1.241 113.454 114.554 0.235 0.000 2.868 348 T HA 0.641 4.991 4.350 -0.001 0.000 0.306 348 T C -0.841 174.019 174.700 0.268 0.000 1.224 348 T CA -0.811 61.424 62.100 0.226 0.000 1.012 348 T CB 1.767 70.717 68.868 0.136 0.000 1.221 348 T HN 0.246 nan 8.240 nan 0.000 0.499 349 V N 0.273 120.257 119.914 0.116 0.000 2.407 349 V HA 0.592 4.712 4.120 -0.001 0.000 0.291 349 V C -2.629 173.493 176.094 0.047 0.000 1.018 349 V CA -2.394 59.934 62.300 0.047 0.000 0.842 349 V CB 1.332 33.180 31.823 0.041 0.000 0.996 349 V HN 0.863 nan 8.190 nan 0.000 0.426 350 P HA 0.208 nan 4.420 nan 0.000 0.260 350 P C -0.323 177.002 177.300 0.042 0.000 1.651 350 P CA 0.220 63.339 63.100 0.033 0.000 1.139 350 P CB 0.510 32.207 31.700 -0.004 0.000 1.756 351 E N 4.276 124.519 120.200 0.072 0.000 2.167 351 E HA 0.167 4.516 4.350 -0.001 0.000 0.284 351 E C -0.009 176.647 176.600 0.094 0.000 1.016 351 E CA -0.875 55.576 56.400 0.084 0.000 0.817 351 E CB 0.687 30.452 29.700 0.109 0.000 1.080 351 E HN 0.227 nan 8.360 nan 0.000 0.397 352 R N 3.210 123.760 120.500 0.084 0.000 2.707 352 R HA 0.252 4.591 4.340 -0.001 0.000 0.270 352 R C -0.208 176.151 176.300 0.098 0.000 1.083 352 R CA -0.560 55.592 56.100 0.087 0.000 1.182 352 R CB 0.250 30.592 30.300 0.070 0.000 1.084 352 R HN 0.483 nan 8.270 nan 0.000 0.528 353 I N 0.794 121.420 120.570 0.095 0.000 2.359 353 I HA 0.186 4.356 4.170 -0.001 0.000 0.294 353 I C 0.670 176.805 176.117 0.030 0.000 0.987 353 I CA 0.265 61.607 61.300 0.070 0.000 1.225 353 I CB 1.691 39.728 38.000 0.062 0.000 1.366 353 I HN 0.759 nan 8.210 nan 0.000 0.466 354 T N 3.982 118.529 114.554 -0.011 0.000 2.693 354 T HA 0.673 5.022 4.350 -0.001 0.000 0.278 354 T C -2.687 171.800 174.700 -0.355 0.000 0.994 354 T CA -1.838 60.183 62.100 -0.133 0.000 1.033 354 T CB 1.574 70.426 68.868 -0.026 0.000 1.342 354 T HN 0.215 nan 8.240 nan 0.000 0.538 355 P HA -0.020 nan 4.420 nan 0.000 0.302 355 P C 0.643 177.446 177.300 -0.829 0.000 1.301 355 P CA 0.639 63.191 63.100 -0.913 0.000 0.770 355 P CB -0.230 30.685 31.700 -1.307 0.000 1.458 356 W N -1.116 120.178 121.300 -0.010 0.000 2.023 356 W HA -0.438 4.221 4.660 -0.001 0.000 0.320 356 W C 1.683 178.187 176.519 -0.025 0.000 1.838 356 W CA 2.392 59.728 57.345 -0.015 0.000 2.097 356 W CB -2.996 26.459 29.460 -0.007 0.000 0.931 356 W HN 0.494 nan 8.180 nan 0.000 0.456 357 N N 2.525 121.457 118.700 0.387 0.000 2.096 357 N HA -0.299 4.440 4.740 -0.001 0.000 0.195 357 N C 1.729 177.270 175.510 0.052 0.000 1.017 357 N CA 2.896 56.062 53.050 0.194 0.000 0.870 357 N CB -1.089 37.539 38.487 0.235 0.000 1.024 357 N HN 0.754 nan 8.380 nan 0.000 0.434 358 I N 1.017 121.596 120.570 0.014 0.000 2.450 358 I HA -0.344 3.825 4.170 -0.001 0.000 0.260 358 I C 1.804 177.877 176.117 -0.074 0.000 1.145 358 I CA 1.523 62.797 61.300 -0.043 0.000 1.413 358 I CB 0.047 38.000 38.000 -0.077 0.000 1.090 358 I HN 0.269 nan 8.210 nan 0.000 0.445 359 E N 0.536 120.696 120.200 -0.067 0.000 2.012 359 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 359 E C 2.070 178.562 176.600 -0.179 0.000 0.977 359 E CA 0.940 57.281 56.400 -0.099 0.000 0.832 359 E CB -0.331 29.329 29.700 -0.066 0.000 0.790 359 E HN 0.291 nan 8.360 nan 0.000 0.466 360 K N 0.673 120.951 120.400 -0.203 0.000 2.173 360 K HA -0.236 4.083 4.320 -0.001 0.000 0.207 360 K C 2.096 178.260 176.600 -0.727 0.000 1.046 360 K CA 0.989 57.027 56.287 -0.415 0.000 0.929 360 K CB -0.116 32.211 32.500 -0.289 0.000 0.720 360 K HN 0.002 nan 8.250 nan 0.000 0.453 361 L N 1.197 122.206 121.223 -0.356 0.000 2.093 361 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 361 L C 2.195 178.953 176.870 -0.186 0.000 1.085 361 L CA 1.519 56.244 54.840 -0.191 0.000 0.755 361 L CB -0.291 41.780 42.059 0.020 0.000 0.904 361 L HN 0.123 nan 8.230 nan 0.000 0.435 362 R N -1.440 118.945 120.500 -0.191 0.000 2.073 362 R HA -0.209 4.130 4.340 -0.001 0.000 0.234 362 R C 2.238 178.444 176.300 -0.158 0.000 1.134 362 R CA 1.312 57.330 56.100 -0.136 0.000 0.952 362 R CB -0.376 29.847 30.300 -0.128 0.000 0.850 362 R HN 0.276 nan 8.270 nan 0.000 0.433 363 Q N 0.077 119.702 119.800 -0.290 0.000 2.156 363 Q HA -0.180 4.159 4.340 -0.001 0.000 0.211 363 Q C 1.655 177.584 176.000 -0.118 0.000 0.995 363 Q CA 1.923 57.564 55.803 -0.271 0.000 0.877 363 Q CB -0.295 28.176 28.738 -0.444 0.000 0.920 363 Q HN 0.398 nan 8.270 nan 0.000 0.416 364 F N -1.855 118.046 119.950 -0.082 0.000 2.084 364 F HA -0.147 4.380 4.527 -0.001 0.000 0.296 364 F C 2.298 178.064 175.800 -0.056 0.000 1.111 364 F CA 0.615 58.558 58.000 -0.096 0.000 1.224 364 F CB -0.532 38.424 39.000 -0.074 0.000 0.991 364 F HN -0.004 nan 8.300 nan 0.000 0.471 365 V N 0.664 120.673 119.914 0.159 0.000 3.026 365 V HA -0.202 3.917 4.120 -0.001 0.000 0.265 365 V C 1.711 177.828 176.094 0.038 0.000 1.121 365 V CA 1.391 63.743 62.300 0.088 0.000 1.142 365 V CB -0.447 31.410 31.823 0.058 0.000 0.730 365 V HN 0.365 nan 8.190 nan 0.000 0.503 366 I N 0.369 120.950 120.570 0.018 0.000 2.429 366 I HA 0.034 4.204 4.170 -0.001 0.000 0.247 366 I C 1.906 178.029 176.117 0.010 0.000 1.099 366 I CA 1.649 62.949 61.300 -0.001 0.000 1.422 366 I CB -0.591 37.394 38.000 -0.024 0.000 1.112 366 I HN 0.281 nan 8.210 nan 0.000 0.430 367 N N 1.482 120.192 118.700 0.016 0.000 2.258 367 N HA 0.044 4.784 4.740 -0.001 0.000 0.187 367 N C 1.175 176.685 175.510 -0.001 0.000 1.012 367 N CA 1.457 54.510 53.050 0.005 0.000 0.870 367 N CB -0.415 38.075 38.487 0.004 0.000 0.977 367 N HN 0.716 nan 8.380 nan 0.000 0.434 368 G N -0.398 108.415 108.800 0.022 0.000 2.509 368 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.259 368 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.259 368 G C -1.987 172.948 174.900 0.059 0.000 1.169 368 G CA 0.177 45.300 45.100 0.038 0.000 0.953 368 G HN 0.246 nan 8.290 nan 0.000 0.563 369 P HA 0.253 nan 4.420 nan 0.000 0.286 369 P C 0.380 177.779 177.300 0.164 0.000 1.269 369 P CA 0.927 64.175 63.100 0.247 0.000 0.908 369 P CB 0.778 32.578 31.700 0.166 0.000 1.395 370 D N -0.069 120.368 120.400 0.062 0.000 2.201 370 D HA -0.014 4.626 4.640 -0.001 0.000 0.209 370 D C 0.951 177.269 176.300 0.031 0.000 0.961 370 D CA 1.018 55.053 54.000 0.057 0.000 0.861 370 D CB 0.161 40.989 40.800 0.046 0.000 0.997 370 D HN 0.032 nan 8.370 nan 0.000 0.486 371 K N 1.052 121.440 120.400 -0.020 0.000 2.234 371 K HA -0.013 4.307 4.320 -0.001 0.000 0.282 371 K C 0.662 177.203 176.600 -0.098 0.000 1.039 371 K CA -0.601 55.680 56.287 -0.010 0.000 0.928 371 K CB 1.112 33.607 32.500 -0.007 0.000 1.039 371 K HN -0.046 nan 8.250 nan 0.000 0.470 372 W N 7.234 128.441 121.300 -0.156 0.000 2.288 372 W HA -0.255 4.404 4.660 -0.001 0.000 0.346 372 W C -1.328 174.972 176.519 -0.366 0.000 1.402 372 W CA 1.657 58.880 57.345 -0.202 0.000 1.311 372 W CB -1.689 27.728 29.460 -0.071 0.000 1.100 372 W HN 0.503 nan 8.180 nan 0.000 0.468 373 P HA 0.271 nan 4.420 nan 0.000 0.252 373 P C 0.041 176.996 177.300 -0.576 0.000 1.727 373 P CA 0.687 63.136 63.100 -1.085 0.000 1.134 373 P CB 0.327 31.574 31.700 -0.754 0.000 1.876 374 G N 1.156 109.485 108.800 -0.785 0.000 3.217 374 G HA2 0.679 4.638 3.960 -0.001 0.000 0.213 374 G HA3 0.679 4.638 3.960 -0.001 0.000 0.213 374 G C -1.021 173.962 174.900 0.138 0.000 1.294 374 G CA -0.792 44.121 45.100 -0.311 0.000 0.987 374 G HN 0.200 nan 8.290 nan 0.000 0.584 375 A N 0.175 123.207 122.820 0.354 0.000 3.241 375 A HA 0.296 4.616 4.320 -0.001 0.000 0.198 375 A C 0.121 177.836 177.584 0.217 0.000 1.003 375 A CA -0.475 51.737 52.037 0.291 0.000 1.134 375 A CB -1.064 18.063 19.000 0.213 0.000 1.289 375 A HN 0.727 nan 8.150 nan 0.000 0.623 376 N N 0.975 119.812 118.700 0.228 0.000 2.292 376 N HA 0.085 4.824 4.740 -0.001 0.000 0.284 376 N C -0.663 174.966 175.510 0.198 0.000 1.387 376 N CA 0.641 53.773 53.050 0.137 0.000 0.961 376 N CB -0.164 38.379 38.487 0.093 0.000 1.356 376 N HN 0.477 nan 8.380 nan 0.000 0.491 377 Y N -0.829 119.466 120.300 -0.008 0.000 2.717 377 Y HA -0.131 4.419 4.550 -0.001 0.000 0.066 377 Y C -1.478 174.442 175.900 0.035 0.000 2.044 377 Y CA -0.562 57.533 58.100 -0.009 0.000 1.294 377 Y CB -0.777 37.672 38.460 -0.018 0.000 1.959 377 Y HN 0.477 nan 8.280 nan 0.000 0.271 378 V N 7.583 127.661 119.914 0.273 0.000 2.569 378 V HA 0.746 4.866 4.120 -0.001 0.000 0.301 378 V C -0.727 175.509 176.094 0.237 0.000 1.044 378 V CA -0.699 61.739 62.300 0.230 0.000 0.874 378 V CB 1.534 33.454 31.823 0.163 0.000 1.002 378 V HN 0.607 nan 8.190 nan 0.000 0.424 379 I N 7.154 127.855 120.570 0.218 0.000 2.395 379 I HA 0.500 4.670 4.170 -0.001 0.000 0.289 379 I C 0.801 176.991 176.117 0.123 0.000 1.023 379 I CA -0.384 61.013 61.300 0.161 0.000 1.350 379 I CB 1.035 39.103 38.000 0.114 0.000 1.409 379 I HN 0.579 nan 8.210 nan 0.000 0.507 380 R N 7.094 127.611 120.500 0.028 0.000 2.546 380 R HA 0.283 4.623 4.340 -0.001 0.000 0.266 380 R C -1.592 174.540 176.300 -0.280 0.000 1.086 380 R CA -1.487 54.480 56.100 -0.222 0.000 1.160 380 R CB 0.489 30.665 30.300 -0.206 0.000 1.138 380 R HN 0.390 nan 8.270 nan 0.000 0.567 381 P HA -0.045 nan 4.420 nan 0.000 0.242 381 P C -0.461 176.734 177.300 -0.176 0.000 1.197 381 P CA 0.992 63.926 63.100 -0.276 0.000 0.765 381 P CB 0.301 31.810 31.700 -0.318 0.000 0.936 382 D N -0.373 119.924 120.400 -0.171 0.000 2.363 382 D HA 0.122 4.762 4.640 -0.001 0.000 0.214 382 D C 1.420 177.690 176.300 -0.051 0.000 1.093 382 D CA 0.347 54.290 54.000 -0.095 0.000 0.837 382 D CB 0.119 40.867 40.800 -0.087 0.000 0.948 382 D HN 0.158 nan 8.370 nan 0.000 0.507 383 G N 2.185 110.959 108.800 -0.044 0.000 2.153 383 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.252 383 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.252 383 G C 0.424 175.333 174.900 0.014 0.000 0.994 383 G CA -0.131 44.964 45.100 -0.008 0.000 0.698 383 G HN 0.237 nan 8.290 nan 0.000 0.521 384 R N 0.279 120.785 120.500 0.009 0.000 2.196 384 R HA 0.504 4.844 4.340 -0.001 0.000 0.340 384 R C 1.042 177.387 176.300 0.076 0.000 1.043 384 R CA -0.534 55.586 56.100 0.034 0.000 0.883 384 R CB 0.233 30.543 30.300 0.017 0.000 1.078 384 R HN 0.207 nan 8.270 nan 0.000 0.462 385 R N 4.843 125.413 120.500 0.118 0.000 4.792 385 R HA 0.159 4.499 4.340 -0.001 0.000 0.205 385 R C -0.231 176.143 176.300 0.123 0.000 1.875 385 R CA -0.095 56.147 56.100 0.237 0.000 1.588 385 R CB -0.233 30.276 30.300 0.348 0.000 1.401 385 R HN 0.596 nan 8.270 nan 0.000 0.834 386 I N 1.827 122.430 120.570 0.054 0.000 2.664 386 I HA -0.134 4.036 4.170 -0.001 0.000 0.284 386 I C 1.139 177.139 176.117 -0.194 0.000 1.154 386 I CA 0.249 61.529 61.300 -0.035 0.000 1.402 386 I CB 0.291 38.305 38.000 0.025 0.000 1.395 386 I HN 0.392 nan 8.210 nan 0.000 0.545 387 D N 4.667 124.839 120.400 -0.380 0.000 1.944 387 D HA -0.103 4.537 4.640 -0.001 0.000 0.232 387 D C 0.781 176.852 176.300 -0.383 0.000 1.304 387 D CA 1.044 54.650 54.000 -0.656 0.000 0.937 387 D CB 0.546 40.956 40.800 -0.651 0.000 1.543 387 D HN 0.483 nan 8.370 nan 0.000 0.553 388 L N -2.029 118.962 121.223 -0.387 0.000 3.094 388 L HA 0.183 4.523 4.340 -0.001 0.000 0.338 388 L C 1.919 178.679 176.870 -0.183 0.000 1.018 388 L CA -0.300 54.433 54.840 -0.179 0.000 1.520 388 L CB -0.325 41.695 42.059 -0.065 0.000 2.533 388 L HN 0.249 nan 8.230 nan 0.000 0.576 389 R N 0.365 120.678 120.500 -0.311 0.000 2.133 389 R HA -0.157 4.183 4.340 -0.001 0.000 0.245 389 R C -0.022 176.197 176.300 -0.136 0.000 1.137 389 R CA 2.586 58.546 56.100 -0.234 0.000 0.947 389 R CB -0.534 29.558 30.300 -0.345 0.000 0.865 389 R HN 0.456 nan 8.270 nan 0.000 0.437 390 Y N -3.354 116.931 120.300 -0.026 0.000 2.686 390 Y HA 0.557 5.107 4.550 -0.000 0.000 0.330 390 Y C -0.270 175.616 175.900 -0.025 0.000 1.082 390 Y CA -2.496 55.593 58.100 -0.019 0.000 1.158 390 Y CB 0.986 39.434 38.460 -0.019 0.000 1.333 390 Y HN -0.210 nan 8.280 nan 0.000 0.519 391 V N 0.600 120.682 119.914 0.280 0.000 3.148 391 V HA -0.205 3.915 4.120 -0.001 0.000 0.443 391 V C 0.356 176.501 176.094 0.085 0.000 0.681 391 V CA -0.500 61.894 62.300 0.156 0.000 1.967 391 V CB -1.784 30.132 31.823 0.156 0.000 2.445 391 V HN 0.915 nan 8.190 nan 0.000 0.490 392 K N 2.335 122.771 120.400 0.061 0.000 2.202 392 K HA -0.085 4.235 4.320 -0.001 0.000 0.227 392 K C 1.440 178.057 176.600 0.028 0.000 0.856 392 K CA 1.780 58.091 56.287 0.039 0.000 1.034 392 K CB -0.307 32.209 32.500 0.028 0.000 0.610 392 K HN 0.868 nan 8.250 nan 0.000 0.718 393 D N -1.432 118.980 120.400 0.020 0.000 4.435 393 D HA -0.355 4.285 4.640 -0.001 0.000 0.235 393 D C 1.125 177.429 176.300 0.007 0.000 0.580 393 D CA 2.355 56.362 54.000 0.012 0.000 1.063 393 D CB -0.571 40.238 40.800 0.015 0.000 0.562 393 D HN 0.451 nan 8.370 nan 0.000 0.392 394 R N -0.412 120.091 120.500 0.006 0.000 2.632 394 R HA -0.349 3.991 4.340 -0.001 0.000 0.149 394 R C 1.779 178.072 176.300 -0.011 0.000 0.895 394 R CA 2.764 58.864 56.100 0.001 0.000 1.623 394 R CB -1.429 28.876 30.300 0.008 0.000 0.572 394 R HN 0.391 nan 8.270 nan 0.000 0.671 395 K N 0.480 120.874 120.400 -0.011 0.000 2.144 395 K HA -0.259 4.060 4.320 -0.001 0.000 0.209 395 K C 1.687 178.271 176.600 -0.026 0.000 1.047 395 K CA 2.402 58.677 56.287 -0.019 0.000 0.927 395 K CB -0.147 32.344 32.500 -0.014 0.000 0.716 395 K HN 0.450 nan 8.250 nan 0.000 0.454 396 E N 0.157 120.345 120.200 -0.020 0.000 2.022 396 E HA -0.063 4.287 4.350 -0.001 0.000 0.190 396 E C 1.822 178.401 176.600 -0.035 0.000 0.973 396 E CA 0.575 56.961 56.400 -0.023 0.000 0.816 396 E CB -0.072 29.621 29.700 -0.012 0.000 0.781 396 E HN 0.145 nan 8.360 nan 0.000 0.456 397 L N 1.140 122.348 121.223 -0.026 0.000 2.642 397 L HA -0.111 4.228 4.340 -0.001 0.000 0.236 397 L C 2.057 178.880 176.870 -0.078 0.000 1.169 397 L CA 0.087 54.904 54.840 -0.038 0.000 0.851 397 L CB -0.349 41.707 42.059 -0.005 0.000 0.968 397 L HN 0.200 nan 8.230 nan 0.000 0.453 398 A N -0.249 122.529 122.820 -0.070 0.000 1.935 398 A HA -0.115 4.204 4.320 -0.001 0.000 0.214 398 A C 2.402 179.912 177.584 -0.123 0.000 1.178 398 A CA 1.331 53.317 52.037 -0.085 0.000 0.640 398 A CB -0.285 18.679 19.000 -0.059 0.000 0.825 398 A HN 0.463 nan 8.150 nan 0.000 0.447 399 S N -1.423 114.214 115.700 -0.105 0.000 2.593 399 S HA -0.014 4.456 4.470 -0.001 0.000 0.217 399 S C 1.468 175.985 174.600 -0.138 0.000 0.966 399 S CA 1.109 59.245 58.200 -0.108 0.000 0.914 399 S CB -0.520 62.636 63.200 -0.073 0.000 0.776 399 S HN 0.389 nan 8.310 nan 0.000 0.523 400 T N 2.897 117.349 114.554 -0.170 0.000 2.777 400 T HA 0.168 4.518 4.350 -0.001 0.000 0.266 400 T C 0.689 175.118 174.700 -0.451 0.000 1.040 400 T CA 0.424 62.401 62.100 -0.206 0.000 1.141 400 T CB -0.582 68.188 68.868 -0.162 0.000 0.868 400 T HN 0.395 nan 8.240 nan 0.000 0.444 401 L N 1.743 122.617 121.223 -0.581 0.000 2.678 401 L HA 0.175 4.514 4.340 -0.001 0.000 0.285 401 L C 0.183 176.808 176.870 -0.409 0.000 1.233 401 L CA -0.364 54.036 54.840 -0.733 0.000 0.920 401 L CB -0.291 41.547 42.059 -0.368 0.000 1.176 401 L HN 0.223 nan 8.230 nan 0.000 0.495 402 A N 5.719 128.362 122.820 -0.296 0.000 2.513 402 A HA 0.576 4.895 4.320 -0.001 0.000 0.296 402 A C -2.506 175.140 177.584 0.104 0.000 1.052 402 A CA -1.298 50.716 52.037 -0.038 0.000 0.714 402 A CB 1.358 20.369 19.000 0.019 0.000 1.279 402 A HN 0.478 nan 8.150 nan 0.000 0.397 403 P HA -0.063 nan 4.420 nan 0.000 0.148 403 P C 0.924 178.274 177.300 0.083 0.000 0.756 403 P CA 2.016 65.133 63.100 0.029 0.000 1.236 403 P CB -0.467 31.200 31.700 -0.055 0.000 1.438 404 G N 1.019 109.916 108.800 0.162 0.000 4.187 404 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.174 404 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.174 404 G C -0.543 174.407 174.900 0.083 0.000 0.947 404 G CA -0.256 44.905 45.100 0.101 0.000 0.940 404 G HN 0.234 nan 8.290 nan 0.000 0.410 405 Y N 1.377 121.682 120.300 0.009 0.000 2.301 405 Y HA 0.600 5.149 4.550 -0.001 0.000 0.328 405 Y C 0.728 176.646 175.900 0.031 0.000 1.242 405 Y CA -0.838 57.275 58.100 0.023 0.000 1.323 405 Y CB 0.903 39.377 38.460 0.025 0.000 1.266 405 Y HN -0.067 nan 8.280 nan 0.000 0.527 406 I N 5.299 125.976 120.570 0.178 0.000 2.621 406 I HA 0.166 4.336 4.170 -0.001 0.000 0.276 406 I C -0.405 175.797 176.117 0.143 0.000 1.118 406 I CA -0.857 60.518 61.300 0.126 0.000 1.159 406 I CB -0.387 37.659 38.000 0.077 0.000 1.357 406 I HN 0.475 nan 8.210 nan 0.000 0.513 407 I N 1.455 122.119 120.570 0.157 0.000 2.692 407 I HA 0.183 4.353 4.170 -0.001 0.000 0.284 407 I C 0.444 176.645 176.117 0.139 0.000 1.159 407 I CA 0.355 61.750 61.300 0.157 0.000 1.423 407 I CB 0.319 38.408 38.000 0.149 0.000 1.380 407 I HN 0.320 nan 8.210 nan 0.000 0.580 408 E N 5.946 126.235 120.200 0.148 0.000 1.924 408 E HA 0.193 4.542 4.350 -0.001 0.000 0.261 408 E C -0.289 176.383 176.600 0.120 0.000 1.088 408 E CA -0.473 55.999 56.400 0.120 0.000 0.909 408 E CB 0.436 30.198 29.700 0.103 0.000 1.112 408 E HN 0.524 nan 8.360 nan 0.000 0.425 409 R N 1.827 122.393 120.500 0.109 0.000 2.694 409 R HA 0.045 4.385 4.340 -0.001 0.000 0.268 409 R C 0.065 176.379 176.300 0.023 0.000 1.061 409 R CA -0.301 55.847 56.100 0.080 0.000 1.133 409 R CB 0.475 30.819 30.300 0.074 0.000 1.020 409 R HN 0.447 nan 8.270 nan 0.000 0.475 410 H N 0.782 119.750 119.070 -0.170 0.000 2.703 410 H HA 0.062 4.618 4.556 -0.001 0.000 0.377 410 H C -0.317 174.940 175.328 -0.119 0.000 1.392 410 H CA 0.198 56.163 56.048 -0.138 0.000 1.458 410 H CB 0.450 30.060 29.762 -0.253 0.000 1.529 410 H HN 0.274 nan 8.280 nan 0.000 0.619 411 L N 1.814 123.114 121.223 0.128 0.000 2.397 411 L HA 0.231 4.571 4.340 -0.001 0.000 0.271 411 L C -0.730 176.254 176.870 0.191 0.000 1.148 411 L CA 0.050 54.982 54.840 0.153 0.000 0.825 411 L CB 0.037 42.217 42.059 0.203 0.000 1.117 411 L HN 0.489 nan 8.230 nan 0.000 0.456 412 I N -0.451 120.195 120.570 0.127 0.000 3.042 412 I HA 0.566 4.735 4.170 -0.001 0.000 0.310 412 I C -0.582 175.663 176.117 0.214 0.000 1.117 412 I CA -0.971 60.416 61.300 0.145 0.000 1.003 412 I CB 1.085 39.060 38.000 -0.042 0.000 1.228 412 I HN 0.307 nan 8.210 nan 0.000 0.443 413 D N 2.457 123.025 120.400 0.281 0.000 2.423 413 D HA 0.426 5.066 4.640 -0.001 0.000 0.238 413 D C 1.227 177.607 176.300 0.133 0.000 1.142 413 D CA 1.640 55.764 54.000 0.207 0.000 0.884 413 D CB 0.623 41.562 40.800 0.231 0.000 1.199 413 D HN 1.162 nan 8.370 nan 0.000 0.438 414 G N 1.425 110.286 108.800 0.100 0.000 2.143 414 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.248 414 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.248 414 G C -0.119 174.821 174.900 0.066 0.000 0.991 414 G CA -0.031 45.114 45.100 0.075 0.000 0.689 414 G HN 0.581 nan 8.290 nan 0.000 0.522 415 D N 0.161 120.606 120.400 0.074 0.000 2.232 415 D HA 0.482 5.122 4.640 -0.001 0.000 0.242 415 D C 0.539 176.871 176.300 0.053 0.000 1.093 415 D CA -0.560 53.479 54.000 0.064 0.000 0.845 415 D CB 0.787 41.633 40.800 0.078 0.000 1.124 415 D HN 0.015 nan 8.370 nan 0.000 0.467 416 I N 3.294 123.888 120.570 0.039 0.000 2.598 416 I HA 0.021 4.190 4.170 -0.001 0.000 0.284 416 I C 0.149 176.293 176.117 0.044 0.000 1.140 416 I CA 0.220 61.539 61.300 0.032 0.000 1.420 416 I CB 0.788 38.796 38.000 0.014 0.000 1.387 416 I HN 0.063 nan 8.210 nan 0.000 0.553 417 V N 7.304 127.254 119.914 0.059 0.000 2.841 417 V HA 0.384 4.504 4.120 -0.001 0.000 0.310 417 V C -0.518 175.645 176.094 0.114 0.000 1.090 417 V CA -0.935 61.412 62.300 0.079 0.000 0.930 417 V CB 2.125 33.989 31.823 0.069 0.000 1.014 417 V HN 0.273 nan 8.190 nan 0.000 0.425 418 L N 4.177 125.479 121.223 0.131 0.000 2.290 418 L HA 0.461 4.800 4.340 -0.001 0.000 0.284 418 L C -0.498 176.510 176.870 0.231 0.000 1.078 418 L CA 0.542 55.474 54.840 0.153 0.000 0.815 418 L CB 0.431 42.520 42.059 0.050 0.000 1.162 418 L HN 0.500 nan 8.230 nan 0.000 0.435 419 F N 3.915 123.878 119.950 0.021 0.000 2.458 419 F HA 0.530 5.057 4.527 -0.001 0.000 0.330 419 F C 0.187 176.005 175.800 0.030 0.000 1.082 419 F CA -0.860 57.047 58.000 -0.155 0.000 0.995 419 F CB 1.343 40.022 39.000 -0.535 0.000 1.170 419 F HN 0.581 nan 8.300 nan 0.000 0.478 420 N N 3.110 121.627 118.700 -0.306 0.000 2.367 420 N HA 0.356 5.096 4.740 -0.001 0.000 0.278 420 N C -1.878 173.447 175.510 -0.308 0.000 1.117 420 N CA -0.648 52.340 53.050 -0.103 0.000 0.867 420 N CB 1.738 40.214 38.487 -0.019 0.000 1.649 420 N HN 0.691 nan 8.380 nan 0.000 0.479 421 R N 3.255 123.711 120.500 -0.074 0.000 2.576 421 R HA 0.142 4.481 4.340 -0.001 0.000 0.283 421 R C -0.657 175.638 176.300 -0.008 0.000 1.493 421 R CA -0.388 55.642 56.100 -0.117 0.000 1.170 421 R CB 0.897 31.135 30.300 -0.103 0.000 1.189 421 R HN 0.698 nan 8.270 nan 0.000 0.542 422 Q N 3.803 123.583 119.800 -0.033 0.000 2.317 422 Q HA 0.404 4.744 4.340 -0.001 0.000 0.229 422 Q C -1.959 174.030 176.000 -0.017 0.000 0.984 422 Q CA -1.856 53.940 55.803 -0.010 0.000 0.911 422 Q CB 0.601 29.334 28.738 -0.009 0.000 1.217 422 Q HN 0.290 nan 8.270 nan 0.000 0.501 423 P HA -0.084 nan 4.420 nan 0.000 0.254 423 P C -0.363 176.940 177.300 0.005 0.000 1.186 423 P CA 0.382 63.479 63.100 -0.004 0.000 0.868 423 P CB 0.350 32.045 31.700 -0.008 0.000 0.856 424 S N 3.918 119.623 115.700 0.007 0.000 4.053 424 S HA 0.080 4.550 4.470 -0.001 0.000 0.184 424 S C 0.774 175.382 174.600 0.013 0.000 1.324 424 S CA -0.705 57.503 58.200 0.013 0.000 0.956 424 S CB -1.392 61.809 63.200 0.001 0.000 1.503 424 S HN 0.299 nan 8.310 nan 0.000 0.440 425 L N 2.219 123.455 121.223 0.021 0.000 2.865 425 L HA 0.588 4.927 4.340 -0.001 0.000 0.233 425 L C -0.028 176.885 176.870 0.073 0.000 1.320 425 L CA -0.163 54.686 54.840 0.016 0.000 1.225 425 L CB -1.175 40.875 42.059 -0.014 0.000 1.542 425 L HN 0.542 nan 8.230 nan 0.000 0.432 426 H N 0.097 119.117 119.070 -0.084 0.000 3.130 426 H HA 0.063 4.619 4.556 -0.001 0.000 0.318 426 H C 0.577 175.835 175.328 -0.117 0.000 1.411 426 H CA -0.193 55.786 56.048 -0.115 0.000 1.677 426 H CB 1.152 30.833 29.762 -0.135 0.000 2.441 426 H HN 0.441 nan 8.280 nan 0.000 0.409 427 R N 3.991 124.386 120.500 -0.174 0.000 2.211 427 R HA -0.087 4.252 4.340 -0.001 0.000 0.240 427 R C 0.615 176.721 176.300 -0.323 0.000 1.144 427 R CA 1.583 57.558 56.100 -0.208 0.000 0.992 427 R CB -0.050 30.150 30.300 -0.166 0.000 0.869 427 R HN 0.453 nan 8.270 nan 0.000 0.462 428 I N 1.467 121.668 120.570 -0.616 0.000 3.334 428 I HA -0.042 4.127 4.170 -0.001 0.000 0.282 428 I C 1.018 176.838 176.117 -0.495 0.000 1.313 428 I CA 0.842 61.758 61.300 -0.640 0.000 1.396 428 I CB -0.376 37.030 38.000 -0.990 0.000 1.054 428 I HN 0.220 nan 8.210 nan 0.000 0.495 429 S N -0.249 115.282 115.700 -0.282 0.000 2.528 429 S HA 0.231 4.701 4.470 -0.001 0.000 0.219 429 S C 0.974 175.558 174.600 -0.026 0.000 0.985 429 S CA 0.292 58.417 58.200 -0.125 0.000 0.914 429 S CB 0.245 63.444 63.200 -0.001 0.000 0.776 429 S HN 0.257 nan 8.310 nan 0.000 0.526 430 M N 1.424 120.977 119.600 -0.079 0.000 2.253 430 M HA 0.520 4.999 4.480 -0.001 0.000 0.314 430 M C -1.240 175.062 176.300 0.003 0.000 1.019 430 M CA 0.146 55.454 55.300 0.012 0.000 0.932 430 M CB 1.898 34.470 32.600 -0.047 0.000 1.606 430 M HN 0.101 nan 8.290 nan 0.000 0.430 431 M N 1.720 121.420 119.600 0.168 0.000 2.520 431 M HA 0.572 5.052 4.480 -0.001 0.000 0.283 431 M C -0.832 175.624 176.300 0.260 0.000 1.237 431 M CA -0.724 54.662 55.300 0.143 0.000 0.885 431 M CB 2.594 35.261 32.600 0.111 0.000 1.727 431 M HN 0.690 nan 8.290 nan 0.000 0.468 432 A N 2.178 125.043 122.820 0.075 0.000 2.310 432 A HA 0.501 4.821 4.320 -0.001 0.000 0.300 432 A C -0.912 176.683 177.584 0.019 0.000 1.269 432 A CA -0.185 51.893 52.037 0.068 0.000 0.909 432 A CB -0.167 18.821 19.000 -0.019 0.000 1.144 432 A HN 0.828 nan 8.150 nan 0.000 0.540 433 H N 1.650 120.699 119.070 -0.035 0.000 2.573 433 H HA 0.359 4.915 4.556 -0.000 0.000 0.351 433 H C -0.232 175.051 175.328 -0.073 0.000 1.163 433 H CA -0.797 55.201 56.048 -0.083 0.000 1.205 433 H CB 1.552 31.199 29.762 -0.191 0.000 1.605 433 H HN 0.627 nan 8.280 nan 0.000 0.525 434 R N 1.299 121.830 120.500 0.051 0.000 2.297 434 R HA 0.184 4.524 4.340 -0.001 0.000 0.308 434 R C -0.469 175.848 176.300 0.028 0.000 1.029 434 R CA -0.564 55.557 56.100 0.034 0.000 0.929 434 R CB 1.783 32.099 30.300 0.027 0.000 1.046 434 R HN 0.267 nan 8.270 nan 0.000 0.461 435 V N 3.589 123.525 119.914 0.036 0.000 2.583 435 V HA 0.214 4.334 4.120 -0.001 0.000 0.287 435 V C -0.063 176.059 176.094 0.047 0.000 1.051 435 V CA -0.030 62.290 62.300 0.032 0.000 1.010 435 V CB 1.105 32.969 31.823 0.068 0.000 0.988 435 V HN 0.699 nan 8.190 nan 0.000 0.478 436 R N 4.997 125.509 120.500 0.020 0.000 2.738 436 R HA 0.412 4.751 4.340 -0.001 0.000 0.280 436 R C -1.101 175.178 176.300 -0.036 0.000 1.456 436 R CA -0.379 55.729 56.100 0.013 0.000 1.612 436 R CB 0.422 30.722 30.300 0.000 0.000 1.286 436 R HN 0.629 nan 8.270 nan 0.000 0.660 437 V N 4.995 124.883 119.914 -0.044 0.000 2.703 437 V HA -0.056 4.064 4.120 -0.001 0.000 0.300 437 V C 0.497 176.404 176.094 -0.311 0.000 1.063 437 V CA 0.968 63.153 62.300 -0.193 0.000 1.240 437 V CB -0.803 30.820 31.823 -0.333 0.000 0.845 437 V HN 0.542 nan 8.190 nan 0.000 0.476 438 L N 2.471 123.550 121.223 -0.239 0.000 2.469 438 L HA 0.691 5.031 4.340 -0.001 0.000 0.256 438 L C -0.369 176.388 176.870 -0.188 0.000 1.006 438 L CA -1.463 53.245 54.840 -0.220 0.000 0.832 438 L CB 2.299 44.279 42.059 -0.130 0.000 1.421 438 L HN 0.465 nan 8.230 nan 0.000 0.410 439 K N 1.444 121.743 120.400 -0.168 0.000 2.530 439 K HA 0.492 4.811 4.320 -0.001 0.000 0.280 439 K C 0.270 176.807 176.600 -0.105 0.000 1.004 439 K CA 0.730 56.939 56.287 -0.130 0.000 1.071 439 K CB -0.106 32.334 32.500 -0.099 0.000 0.876 439 K HN 1.015 nan 8.250 nan 0.000 0.487 440 G N 1.298 110.037 108.800 -0.102 0.000 2.312 440 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.347 440 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.347 440 G C -0.317 174.516 174.900 -0.111 0.000 1.564 440 G CA -1.031 44.014 45.100 -0.092 0.000 0.981 440 G HN 0.466 nan 8.290 nan 0.000 0.678 441 L N 0.518 121.676 121.223 -0.108 0.000 2.567 441 L HA 0.262 4.602 4.340 -0.001 0.000 0.225 441 L C 1.962 178.716 176.870 -0.194 0.000 1.119 441 L CA 1.118 55.875 54.840 -0.138 0.000 0.871 441 L CB 0.132 42.128 42.059 -0.106 0.000 1.036 441 L HN 0.877 nan 8.230 nan 0.000 0.459 442 T N -3.087 111.372 114.554 -0.159 0.000 2.889 442 T HA 0.397 4.746 4.350 -0.001 0.000 0.278 442 T C -0.402 174.219 174.700 -0.132 0.000 0.995 442 T CA -0.497 61.511 62.100 -0.153 0.000 0.966 442 T CB 1.185 70.042 68.868 -0.018 0.000 1.237 442 T HN -0.119 nan 8.240 nan 0.000 0.591 443 F N 1.493 121.485 119.950 0.070 0.000 2.411 443 F HA 0.516 5.043 4.527 -0.001 0.000 0.352 443 F C 0.773 176.664 175.800 0.152 0.000 1.123 443 F CA -1.412 56.672 58.000 0.140 0.000 1.044 443 F CB 1.351 40.507 39.000 0.261 0.000 1.135 443 F HN 0.254 nan 8.300 nan 0.000 0.461 444 R N 3.853 124.509 120.500 0.260 0.000 2.349 444 R HA 0.566 4.905 4.340 -0.001 0.000 0.299 444 R C -1.024 175.338 176.300 0.103 0.000 1.027 444 R CA -0.967 55.218 56.100 0.143 0.000 0.958 444 R CB 1.388 31.711 30.300 0.038 0.000 1.047 444 R HN 0.578 nan 8.270 nan 0.000 0.468 445 L N 1.102 122.443 121.223 0.197 0.000 2.354 445 L HA 0.450 4.789 4.340 -0.001 0.000 0.269 445 L C -0.446 176.545 176.870 0.201 0.000 1.005 445 L CA -0.454 54.515 54.840 0.215 0.000 0.819 445 L CB 2.065 44.335 42.059 0.353 0.000 1.311 445 L HN 0.716 nan 8.230 nan 0.000 0.423 446 N N 3.954 122.758 118.700 0.173 0.000 2.462 446 N HA 0.210 4.950 4.740 -0.001 0.000 0.242 446 N C 0.968 176.582 175.510 0.173 0.000 1.010 446 N CA -0.452 52.680 53.050 0.136 0.000 0.939 446 N CB 0.607 39.144 38.487 0.082 0.000 1.127 446 N HN 0.853 nan 8.380 nan 0.000 0.509 447 L N 3.158 124.513 121.223 0.219 0.000 2.285 447 L HA -0.394 3.946 4.340 -0.001 0.000 0.224 447 L C 1.976 178.937 176.870 0.152 0.000 1.096 447 L CA 1.639 56.639 54.840 0.266 0.000 0.820 447 L CB -0.582 41.678 42.059 0.335 0.000 0.899 447 L HN 0.723 nan 8.230 nan 0.000 0.448 448 L N -1.179 120.052 121.223 0.013 0.000 2.046 448 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 448 L C 2.227 179.073 176.870 -0.041 0.000 1.077 448 L CA 1.026 55.781 54.840 -0.142 0.000 0.747 448 L CB -0.468 41.424 42.059 -0.278 0.000 0.896 448 L HN 0.099 nan 8.230 nan 0.000 0.432 449 V N -1.709 118.241 119.914 0.060 0.000 3.510 449 V HA -0.166 3.953 4.120 -0.001 0.000 0.270 449 V C 2.371 178.603 176.094 0.231 0.000 1.201 449 V CA 0.590 62.977 62.300 0.146 0.000 1.166 449 V CB -0.657 31.327 31.823 0.269 0.000 0.825 449 V HN 0.533 nan 8.190 nan 0.000 0.484 450 C N 0.427 119.830 119.300 0.172 0.000 2.388 450 C HA -0.119 4.340 4.460 -0.001 0.000 0.277 450 C C 0.785 175.841 174.990 0.111 0.000 1.210 450 C CA 1.476 60.578 59.018 0.140 0.000 1.743 450 C CB -1.807 25.983 27.740 0.083 0.000 2.047 450 C HN 0.454 nan 8.230 nan 0.000 0.458 451 P HA -0.181 nan 4.420 nan 0.000 0.216 451 P C -1.226 176.088 177.300 0.024 0.000 1.167 451 P CA 2.994 66.105 63.100 0.017 0.000 0.933 451 P CB -1.313 30.375 31.700 -0.020 0.000 0.793 452 P HA -0.233 nan 4.420 nan 0.000 0.215 452 P C 1.299 178.581 177.300 -0.030 0.000 1.163 452 P CA 1.982 65.052 63.100 -0.050 0.000 0.894 452 P CB -0.686 30.897 31.700 -0.195 0.000 0.791 453 Y N -0.662 119.657 120.300 0.033 0.000 2.089 453 Y HA -0.117 4.433 4.550 -0.001 0.000 0.282 453 Y C 1.215 177.104 175.900 -0.018 0.000 1.139 453 Y CA 1.748 59.855 58.100 0.012 0.000 1.123 453 Y CB -0.695 37.760 38.460 -0.008 0.000 0.980 453 Y HN 0.038 nan 8.280 nan 0.000 0.493 454 N N -0.839 117.938 118.700 0.129 0.000 3.251 454 N HA -0.114 4.626 4.740 -0.001 0.000 0.258 454 N C -1.607 173.883 175.510 -0.034 0.000 1.076 454 N CA 0.567 53.629 53.050 0.020 0.000 0.671 454 N CB -1.300 37.186 38.487 -0.001 0.000 1.089 454 N HN 0.356 nan 8.380 nan 0.000 0.583 455 A N 1.604 124.369 122.820 -0.093 0.000 2.363 455 A HA 0.558 4.877 4.320 -0.001 0.000 0.296 455 A C -0.380 176.901 177.584 -0.505 0.000 1.237 455 A CA -0.443 51.440 52.037 -0.257 0.000 0.773 455 A CB 0.578 19.411 19.000 -0.278 0.000 1.153 455 A HN 0.431 nan 8.150 nan 0.000 0.473 456 D N 0.347 120.493 120.400 -0.423 0.000 2.340 456 D HA 0.461 5.100 4.640 -0.001 0.000 0.251 456 D C -0.520 175.431 176.300 -0.582 0.000 1.080 456 D CA -0.863 52.865 54.000 -0.453 0.000 0.971 456 D CB 0.407 41.111 40.800 -0.160 0.000 1.137 456 D HN 0.260 nan 8.370 nan 0.000 0.475 457 F N -0.146 119.806 119.950 0.002 0.000 2.987 457 F HA 0.146 4.673 4.527 -0.001 0.000 0.302 457 F C 1.064 176.861 175.800 -0.005 0.000 1.221 457 F CA -0.676 57.324 58.000 -0.000 0.000 1.307 457 F CB 0.017 39.019 39.000 0.004 0.000 1.108 457 F HN 0.261 nan 8.300 nan 0.000 0.521 458 D N -0.566 119.875 120.400 0.069 0.000 2.328 458 D HA 0.156 4.795 4.640 -0.001 0.000 0.226 458 D C 1.470 177.789 176.300 0.031 0.000 1.066 458 D CA 0.609 54.637 54.000 0.045 0.000 0.861 458 D CB 0.553 41.360 40.800 0.010 0.000 0.912 458 D HN 0.449 nan 8.370 nan 0.000 0.521 459 G N 0.619 109.442 108.800 0.039 0.000 2.148 459 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.120 459 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.120 459 G C -0.666 174.236 174.900 0.003 0.000 1.034 459 G CA -0.577 44.537 45.100 0.024 0.000 0.710 459 G HN 0.206 nan 8.290 nan 0.000 0.495 460 D N 0.721 121.113 120.400 -0.012 0.000 2.344 460 D HA 0.570 5.209 4.640 -0.001 0.000 0.244 460 D C 0.498 176.784 176.300 -0.024 0.000 1.134 460 D CA 0.384 54.356 54.000 -0.047 0.000 0.930 460 D CB 0.963 41.694 40.800 -0.115 0.000 1.175 460 D HN 0.403 nan 8.370 nan 0.000 0.437 461 E N 0.490 120.665 120.200 -0.041 0.000 2.266 461 E HA 0.492 4.842 4.350 -0.001 0.000 0.268 461 E C -0.579 175.967 176.600 -0.089 0.000 0.879 461 E CA -0.613 55.775 56.400 -0.020 0.000 0.762 461 E CB 2.134 31.831 29.700 -0.005 0.000 1.199 461 E HN 0.269 nan 8.360 nan 0.000 0.422 462 M N 1.696 121.224 119.600 -0.120 0.000 2.644 462 M HA 0.435 4.914 4.480 -0.001 0.000 0.304 462 M C -0.734 175.342 176.300 -0.372 0.000 1.215 462 M CA -1.098 53.976 55.300 -0.377 0.000 0.871 462 M CB 1.818 33.932 32.600 -0.811 0.000 1.740 462 M HN 0.355 nan 8.290 nan 0.000 0.464 463 N N 1.434 119.883 118.700 -0.418 0.000 2.476 463 N HA 0.622 5.362 4.740 -0.001 0.000 0.275 463 N C -1.526 173.725 175.510 -0.431 0.000 1.190 463 N CA -0.512 52.372 53.050 -0.276 0.000 0.977 463 N CB 1.215 39.657 38.487 -0.075 0.000 1.200 463 N HN 0.385 nan 8.380 nan 0.000 0.515 464 L N 1.276 122.350 121.223 -0.248 0.000 2.401 464 L HA 0.474 4.813 4.340 -0.001 0.000 0.266 464 L C -1.391 175.476 176.870 -0.004 0.000 0.991 464 L CA -0.564 54.205 54.840 -0.118 0.000 0.818 464 L CB 1.084 43.027 42.059 -0.193 0.000 1.321 464 L HN 0.636 nan 8.230 nan 0.000 0.413 465 H N 2.655 121.751 119.070 0.043 0.000 2.782 465 H HA 0.565 5.121 4.556 -0.000 0.000 0.347 465 H C -0.838 174.536 175.328 0.075 0.000 1.038 465 H CA -0.383 55.708 56.048 0.072 0.000 1.255 465 H CB 2.309 32.095 29.762 0.040 0.000 1.623 465 H HN 0.280 nan 8.280 nan 0.000 0.525 466 V N 6.222 126.265 119.914 0.215 0.000 2.318 466 V HA 0.257 4.377 4.120 -0.001 0.000 0.271 466 V C -2.053 174.000 176.094 -0.067 0.000 1.030 466 V CA -1.589 60.781 62.300 0.116 0.000 0.844 466 V CB 0.945 32.914 31.823 0.243 0.000 1.015 466 V HN 0.656 nan 8.190 nan 0.000 0.460 467 P HA 0.194 nan 4.420 nan 0.000 0.276 467 P C -0.043 177.135 177.300 -0.204 0.000 1.235 467 P CA -0.244 62.784 63.100 -0.120 0.000 0.772 467 P CB 1.577 33.244 31.700 -0.055 0.000 0.871 468 Q N 0.893 120.526 119.800 -0.278 0.000 2.163 468 Q HA 0.044 4.384 4.340 -0.001 0.000 0.198 468 Q C 0.692 176.606 176.000 -0.143 0.000 0.954 468 Q CA 1.004 56.639 55.803 -0.281 0.000 0.851 468 Q CB -0.463 28.064 28.738 -0.352 0.000 0.928 468 Q HN 0.485 nan 8.270 nan 0.000 0.459 469 S N 1.544 117.181 115.700 -0.104 0.000 2.593 469 S HA 0.060 4.529 4.470 -0.001 0.000 0.269 469 S C 1.029 175.605 174.600 -0.040 0.000 1.334 469 S CA -0.353 57.811 58.200 -0.061 0.000 1.015 469 S CB 0.875 64.045 63.200 -0.051 0.000 0.912 469 S HN 0.099 nan 8.310 nan 0.000 0.541 470 E N 1.441 121.628 120.200 -0.021 0.000 2.072 470 E HA -0.113 4.237 4.350 -0.001 0.000 0.191 470 E C 1.803 178.396 176.600 -0.012 0.000 0.985 470 E CA 1.339 57.735 56.400 -0.007 0.000 0.801 470 E CB -0.102 29.601 29.700 0.006 0.000 0.750 470 E HN 0.701 nan 8.360 nan 0.000 0.452 471 E N 0.081 120.271 120.200 -0.017 0.000 2.015 471 E HA -0.102 4.247 4.350 -0.001 0.000 0.191 471 E C 1.995 178.579 176.600 -0.026 0.000 0.991 471 E CA 1.071 57.459 56.400 -0.019 0.000 0.802 471 E CB -0.260 29.428 29.700 -0.019 0.000 0.759 471 E HN 0.253 nan 8.360 nan 0.000 0.447 472 A N 1.434 124.233 122.820 -0.034 0.000 1.869 472 A HA -0.288 4.032 4.320 -0.001 0.000 0.218 472 A C 2.353 179.916 177.584 -0.035 0.000 1.203 472 A CA 2.437 54.450 52.037 -0.040 0.000 0.638 472 A CB -1.232 17.736 19.000 -0.053 0.000 0.831 472 A HN 0.388 nan 8.150 nan 0.000 0.450 473 I N -1.165 119.385 120.570 -0.033 0.000 2.236 473 I HA -0.187 3.983 4.170 -0.001 0.000 0.249 473 I C 2.376 178.482 176.117 -0.019 0.000 1.102 473 I CA 1.817 63.104 61.300 -0.023 0.000 1.365 473 I CB -1.211 36.779 38.000 -0.017 0.000 1.051 473 I HN 0.238 nan 8.210 nan 0.000 0.420 474 A N 0.516 123.325 122.820 -0.019 0.000 1.840 474 A HA -0.167 4.153 4.320 -0.001 0.000 0.214 474 A C 2.359 179.928 177.584 -0.024 0.000 1.198 474 A CA 1.569 53.595 52.037 -0.018 0.000 0.608 474 A CB -1.050 17.942 19.000 -0.014 0.000 0.839 474 A HN 0.533 nan 8.150 nan 0.000 0.443 475 E N -0.593 119.591 120.200 -0.027 0.000 2.393 475 E HA -0.142 4.208 4.350 -0.001 0.000 0.201 475 E C 1.784 178.361 176.600 -0.039 0.000 1.025 475 E CA 0.813 57.194 56.400 -0.033 0.000 0.856 475 E CB -0.143 29.536 29.700 -0.035 0.000 0.771 475 E HN 0.625 nan 8.360 nan 0.000 0.526 476 A N 0.443 123.242 122.820 -0.036 0.000 1.909 476 A HA -0.010 4.310 4.320 -0.001 0.000 0.210 476 A C 1.916 179.473 177.584 -0.044 0.000 1.273 476 A CA 0.657 52.671 52.037 -0.038 0.000 0.654 476 A CB -0.219 18.766 19.000 -0.026 0.000 0.945 476 A HN 0.052 nan 8.150 nan 0.000 0.471 477 K N -0.185 120.193 120.400 -0.036 0.000 2.089 477 K HA -0.287 4.033 4.320 -0.001 0.000 0.210 477 K C 1.972 178.536 176.600 -0.059 0.000 1.048 477 K CA 2.190 58.450 56.287 -0.044 0.000 0.926 477 K CB -0.080 32.405 32.500 -0.026 0.000 0.714 477 K HN 0.477 nan 8.250 nan 0.000 0.448 478 E N 0.404 120.577 120.200 -0.045 0.000 2.033 478 E HA -0.042 4.308 4.350 -0.001 0.000 0.189 478 E C 1.916 178.487 176.600 -0.049 0.000 0.979 478 E CA 1.131 57.507 56.400 -0.040 0.000 0.802 478 E CB -0.006 29.679 29.700 -0.025 0.000 0.763 478 E HN 0.344 nan 8.360 nan 0.000 0.449 479 I N -0.263 120.276 120.570 -0.052 0.000 2.339 479 I HA -0.090 4.080 4.170 -0.001 0.000 0.245 479 I C 1.782 177.851 176.117 -0.080 0.000 1.096 479 I CA 0.889 62.154 61.300 -0.059 0.000 1.408 479 I CB -0.032 37.933 38.000 -0.058 0.000 1.092 479 I HN 0.159 nan 8.210 nan 0.000 0.423 480 M N 0.567 120.117 119.600 -0.084 0.000 2.475 480 M HA 0.202 4.682 4.480 -0.001 0.000 0.261 480 M C 0.404 176.627 176.300 -0.127 0.000 1.177 480 M CA -0.093 55.148 55.300 -0.099 0.000 0.979 480 M CB 0.477 33.034 32.600 -0.072 0.000 1.482 480 M HN 0.143 nan 8.290 nan 0.000 0.484 481 L N 0.219 121.348 121.223 -0.156 0.000 2.482 481 L HA 0.011 4.351 4.340 -0.001 0.000 0.273 481 L C 1.338 178.026 176.870 -0.304 0.000 1.228 481 L CA -0.196 54.506 54.840 -0.229 0.000 0.827 481 L CB 0.963 42.854 42.059 -0.279 0.000 1.099 481 L HN 0.024 nan 8.230 nan 0.000 0.494 482 V N 1.706 121.390 119.914 -0.383 0.000 2.244 482 V HA -0.336 3.784 4.120 -0.001 0.000 0.235 482 V C 2.215 178.143 176.094 -0.277 0.000 1.026 482 V CA 2.161 64.240 62.300 -0.368 0.000 0.990 482 V CB -1.242 30.320 31.823 -0.436 0.000 0.640 482 V HN 1.113 nan 8.190 nan 0.000 0.463 483 H N 0.687 119.676 119.070 -0.134 0.000 2.538 483 H HA -0.208 4.348 4.556 -0.001 0.000 0.295 483 H C 1.764 177.044 175.328 -0.079 0.000 1.095 483 H CA 2.039 58.028 56.048 -0.098 0.000 1.216 483 H CB -0.653 29.068 29.762 -0.069 0.000 1.355 483 H HN 0.440 nan 8.280 nan 0.000 0.567 484 K N -0.276 120.066 120.400 -0.096 0.000 2.400 484 K HA 0.045 4.365 4.320 -0.001 0.000 0.194 484 K C 0.184 176.750 176.600 -0.056 0.000 1.033 484 K CA 0.421 56.709 56.287 0.002 0.000 1.021 484 K CB 0.315 32.773 32.500 -0.069 0.000 0.808 484 K HN 0.291 nan 8.250 nan 0.000 0.505 485 N N 0.594 119.228 118.700 -0.111 0.000 2.467 485 N HA 0.138 4.877 4.740 -0.001 0.000 0.278 485 N C 0.260 175.680 175.510 -0.150 0.000 1.306 485 N CA -0.056 52.909 53.050 -0.141 0.000 0.905 485 N CB 0.461 38.843 38.487 -0.174 0.000 1.236 485 N HN 0.083 nan 8.380 nan 0.000 0.509 486 I N 0.338 120.842 120.570 -0.110 0.000 3.334 486 I HA 0.016 4.186 4.170 -0.001 0.000 0.282 486 I C -0.840 175.179 176.117 -0.164 0.000 1.313 486 I CA 0.722 61.952 61.300 -0.117 0.000 1.396 486 I CB 0.223 38.183 38.000 -0.067 0.000 1.054 486 I HN -0.000 nan 8.210 nan 0.000 0.495 487 I N -0.910 119.550 120.570 -0.184 0.000 2.439 487 I HA 0.259 4.429 4.170 -0.001 0.000 0.283 487 I C 0.206 176.191 176.117 -0.221 0.000 1.023 487 I CA -0.690 60.470 61.300 -0.233 0.000 1.100 487 I CB 0.662 38.505 38.000 -0.262 0.000 1.238 487 I HN -0.291 nan 8.210 nan 0.000 0.445 488 T N 8.731 123.161 114.554 -0.206 0.000 2.849 488 T HA 0.045 4.394 4.350 -0.001 0.000 0.289 488 T C -1.234 173.330 174.700 -0.226 0.000 1.010 488 T CA 0.068 62.047 62.100 -0.203 0.000 1.161 488 T CB 0.420 69.180 68.868 -0.179 0.000 0.989 488 T HN 0.543 nan 8.240 nan 0.000 0.523 489 P HA -0.030 nan 4.420 nan 0.000 0.237 489 P C 1.119 178.211 177.300 -0.347 0.000 1.178 489 P CA 0.562 63.480 63.100 -0.303 0.000 0.766 489 P CB 0.367 31.977 31.700 -0.151 0.000 0.876 490 R N -0.179 120.152 120.500 -0.282 0.000 2.048 490 R HA 0.002 4.342 4.340 -0.001 0.000 0.221 490 R C 2.191 178.414 176.300 -0.127 0.000 1.174 490 R CA 0.769 56.703 56.100 -0.275 0.000 0.971 490 R CB -0.670 29.348 30.300 -0.471 0.000 0.863 490 R HN 0.101 nan 8.270 nan 0.000 0.439 491 Y N -0.197 120.020 120.300 -0.140 0.000 2.519 491 Y HA 0.198 4.747 4.550 -0.001 0.000 0.287 491 Y C 1.139 176.888 175.900 -0.253 0.000 1.128 491 Y CA -0.116 57.888 58.100 -0.159 0.000 1.282 491 Y CB 0.586 38.961 38.460 -0.142 0.000 1.027 491 Y HN 0.563 nan 8.280 nan 0.000 0.551 492 G N 1.040 109.765 108.800 -0.124 0.000 2.225 492 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.264 492 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.264 492 G C 0.132 174.868 174.900 -0.273 0.000 1.060 492 G CA 0.088 45.066 45.100 -0.203 0.000 0.833 492 G HN 0.699 nan 8.290 nan 0.000 0.498 493 G N -0.923 107.718 108.800 -0.264 0.000 2.684 493 G HA2 0.831 4.791 3.960 -0.001 0.000 0.290 493 G HA3 0.831 4.791 3.960 -0.001 0.000 0.290 493 G C -3.030 171.651 174.900 -0.364 0.000 1.425 493 G CA -0.618 44.259 45.100 -0.371 0.000 0.822 493 G HN 0.262 nan 8.290 nan 0.000 0.482 494 P HA 0.065 nan 4.420 nan 0.000 0.263 494 P C 0.752 177.933 177.300 -0.198 0.000 1.247 494 P CA 0.045 62.950 63.100 -0.326 0.000 0.876 494 P CB 0.969 32.468 31.700 -0.336 0.000 0.928 495 I N 3.420 123.892 120.570 -0.163 0.000 3.226 495 I HA 0.080 4.250 4.170 -0.001 0.000 0.277 495 I C 0.563 176.615 176.117 -0.108 0.000 1.243 495 I CA 0.219 61.456 61.300 -0.105 0.000 1.459 495 I CB 0.335 38.282 38.000 -0.089 0.000 1.093 495 I HN 0.152 nan 8.210 nan 0.000 0.453 496 I N 1.984 122.471 120.570 -0.138 0.000 2.377 496 I HA 0.316 4.486 4.170 -0.001 0.000 0.282 496 I C 0.638 176.641 176.117 -0.190 0.000 1.091 496 I CA -0.453 60.764 61.300 -0.138 0.000 1.207 496 I CB 0.571 38.496 38.000 -0.126 0.000 1.429 496 I HN 0.056 nan 8.210 nan 0.000 0.491 497 G N 3.305 111.983 108.800 -0.203 0.000 2.990 497 G HA2 0.790 4.750 3.960 -0.001 0.000 0.208 497 G HA3 0.790 4.750 3.960 -0.001 0.000 0.208 497 G C -0.218 174.437 174.900 -0.408 0.000 1.334 497 G CA -0.303 44.629 45.100 -0.279 0.000 1.024 497 G HN 0.558 nan 8.290 nan 0.000 0.574 498 A N -1.677 120.868 122.820 -0.458 0.000 2.388 498 A HA 0.822 5.142 4.320 -0.001 0.000 0.280 498 A C 0.990 178.476 177.584 -0.163 0.000 1.377 498 A CA 0.842 52.572 52.037 -0.512 0.000 0.863 498 A CB 0.504 19.191 19.000 -0.520 0.000 1.416 498 A HN 1.686 nan 8.150 nan 0.000 0.517 499 A N -2.624 120.221 122.820 0.043 0.000 1.936 499 A HA 0.414 4.734 4.320 -0.001 0.000 0.197 499 A C 1.396 178.997 177.584 0.029 0.000 2.189 499 A CA 0.857 52.930 52.037 0.061 0.000 1.491 499 A CB -0.269 18.810 19.000 0.131 0.000 1.021 499 A HN 0.820 nan 8.150 nan 0.000 0.537 500 Q N -1.531 118.276 119.800 0.011 0.000 1.915 500 Q HA 0.135 4.474 4.340 -0.001 0.000 0.153 500 Q C 0.809 176.754 176.000 -0.091 0.000 0.480 500 Q CA 0.452 56.241 55.803 -0.024 0.000 0.723 500 Q CB -0.469 28.260 28.738 -0.015 0.000 0.940 500 Q HN 0.224 nan 8.270 nan 0.000 0.357 501 D N 1.150 121.433 120.400 -0.194 0.000 2.242 501 D HA -0.209 4.431 4.640 -0.001 0.000 0.190 501 D C 1.868 178.039 176.300 -0.214 0.000 1.012 501 D CA 2.063 55.895 54.000 -0.281 0.000 0.875 501 D CB -0.493 40.077 40.800 -0.383 0.000 0.922 501 D HN 0.271 nan 8.370 nan 0.000 0.448 502 Y N 0.677 120.910 120.300 -0.113 0.000 2.030 502 Y HA -0.140 4.409 4.550 -0.001 0.000 0.274 502 Y C 2.411 178.147 175.900 -0.275 0.000 1.153 502 Y CA 1.102 59.069 58.100 -0.222 0.000 1.115 502 Y CB -1.050 37.222 38.460 -0.313 0.000 0.969 502 Y HN 0.113 nan 8.280 nan 0.000 0.488 503 I N -1.975 118.594 120.570 -0.002 0.000 3.241 503 I HA -0.087 4.082 4.170 -0.001 0.000 0.280 503 I C 1.768 177.946 176.117 0.101 0.000 1.320 503 I CA 1.759 63.063 61.300 0.006 0.000 1.413 503 I CB -0.157 37.836 38.000 -0.012 0.000 1.060 503 I HN 0.158 nan 8.210 nan 0.000 0.500 504 S N 0.175 115.924 115.700 0.082 0.000 2.520 504 S HA 0.297 4.767 4.470 -0.001 0.000 0.219 504 S C 1.755 176.441 174.600 0.143 0.000 1.028 504 S CA 0.440 58.706 58.200 0.110 0.000 0.921 504 S CB 0.100 63.186 63.200 -0.190 0.000 0.844 504 S HN 0.620 nan 8.310 nan 0.000 0.495 505 G N 1.276 110.206 108.800 0.216 0.000 2.411 505 G HA2 0.230 4.190 3.960 -0.001 0.000 0.213 505 G HA3 0.230 4.190 3.960 -0.001 0.000 0.213 505 G C 1.504 176.775 174.900 0.619 0.000 1.166 505 G CA 0.704 46.056 45.100 0.419 0.000 0.802 505 G HN 0.597 nan 8.290 nan 0.000 0.533 506 A N 1.053 124.332 122.820 0.765 0.000 2.428 506 A HA -0.150 4.170 4.320 -0.001 0.000 0.232 506 A C 1.359 179.263 177.584 0.533 0.000 1.624 506 A CA 1.550 54.060 52.037 0.788 0.000 0.985 506 A CB -1.680 17.657 19.000 0.561 0.000 0.733 506 A HN 0.910 nan 8.150 nan 0.000 0.525 507 Y N -2.312 118.136 120.300 0.246 0.000 2.411 507 Y HA 0.509 5.059 4.550 -0.001 0.000 0.333 507 Y C 0.760 176.770 175.900 0.182 0.000 1.186 507 Y CA -0.455 57.743 58.100 0.164 0.000 1.381 507 Y CB 0.485 39.038 38.460 0.156 0.000 1.273 507 Y HN 0.487 nan 8.280 nan 0.000 0.546 508 L N 1.474 122.763 121.223 0.109 0.000 1.591 508 L HA -0.228 4.112 4.340 -0.001 0.000 0.501 508 L C 0.913 177.773 176.870 -0.016 0.000 0.751 508 L CA 0.370 55.321 54.840 0.185 0.000 2.754 508 L CB -0.956 41.325 42.059 0.370 0.000 0.988 508 L HN 0.719 nan 8.230 nan 0.000 0.641 509 L N -0.081 120.924 121.223 -0.363 0.000 2.515 509 L HA 0.160 4.500 4.340 -0.001 0.000 0.223 509 L C 2.002 178.640 176.870 -0.387 0.000 1.079 509 L CA 1.800 56.116 54.840 -0.873 0.000 0.857 509 L CB 0.469 41.995 42.059 -0.888 0.000 1.050 509 L HN 0.419 nan 8.230 nan 0.000 0.476 510 T N -3.263 111.208 114.554 -0.139 0.000 3.000 510 T HA 0.169 4.519 4.350 -0.001 0.000 0.248 510 T C 0.767 175.501 174.700 0.058 0.000 1.034 510 T CA 0.485 62.548 62.100 -0.061 0.000 1.060 510 T CB -0.753 68.091 68.868 -0.040 0.000 0.983 510 T HN 0.071 nan 8.240 nan 0.000 0.482 511 V N 1.447 121.442 119.914 0.135 0.000 3.332 511 V HA 0.268 4.388 4.120 -0.001 0.000 0.305 511 V C 1.441 177.605 176.094 0.117 0.000 1.114 511 V CA -0.481 61.923 62.300 0.174 0.000 1.194 511 V CB 0.232 32.186 31.823 0.219 0.000 1.027 511 V HN 0.335 nan 8.190 nan 0.000 0.492 512 K N 1.152 121.628 120.400 0.128 0.000 2.032 512 K HA -0.118 4.202 4.320 -0.001 0.000 0.209 512 K C 2.104 178.748 176.600 0.072 0.000 1.048 512 K CA 1.956 58.298 56.287 0.091 0.000 0.927 512 K CB -0.741 31.817 32.500 0.096 0.000 0.712 512 K HN 0.890 nan 8.250 nan 0.000 0.441 513 T N 1.385 115.996 114.554 0.095 0.000 2.802 513 T HA -0.181 4.169 4.350 -0.001 0.000 0.269 513 T C 1.552 176.296 174.700 0.073 0.000 1.062 513 T CA 1.771 63.916 62.100 0.076 0.000 1.133 513 T CB -0.576 68.357 68.868 0.108 0.000 0.852 513 T HN 0.383 nan 8.240 nan 0.000 0.485 514 T N 1.300 115.908 114.554 0.090 0.000 2.275 514 T HA -0.134 4.216 4.350 -0.001 0.000 0.215 514 T C 0.719 175.484 174.700 0.108 0.000 1.557 514 T CA 0.976 63.142 62.100 0.110 0.000 1.287 514 T CB -0.620 68.268 68.868 0.032 0.000 0.868 514 T HN 0.357 nan 8.240 nan 0.000 0.385 515 L N 0.257 121.535 121.223 0.092 0.000 2.719 515 L HA -0.070 4.269 4.340 -0.001 0.000 0.708 515 L C -1.047 176.012 176.870 0.315 0.000 1.102 515 L CA -0.269 54.645 54.840 0.123 0.000 1.378 515 L CB -1.091 40.917 42.059 -0.086 0.000 2.051 515 L HN 0.248 nan 8.230 nan 0.000 0.945 516 L N 2.986 124.402 121.223 0.322 0.000 2.416 516 L HA 0.372 4.711 4.340 -0.001 0.000 0.272 516 L C 1.381 178.491 176.870 0.399 0.000 1.161 516 L CA 0.692 55.741 54.840 0.347 0.000 0.845 516 L CB 0.809 43.014 42.059 0.245 0.000 1.119 516 L HN 0.529 nan 8.230 nan 0.000 0.464 517 T N 2.799 117.504 114.554 0.252 0.000 2.788 517 T HA 0.156 4.505 4.350 -0.001 0.000 0.287 517 T C 1.386 176.155 174.700 0.116 0.000 1.007 517 T CA -0.597 61.505 62.100 0.003 0.000 1.005 517 T CB 0.722 69.587 68.868 -0.005 0.000 1.012 517 T HN 0.573 nan 8.240 nan 0.000 0.530 518 K N 1.044 121.455 120.400 0.018 0.000 2.057 518 K HA -0.069 4.250 4.320 -0.001 0.000 0.206 518 K C 1.962 178.629 176.600 0.111 0.000 1.050 518 K CA 1.240 57.631 56.287 0.174 0.000 0.935 518 K CB -0.019 32.500 32.500 0.032 0.000 0.715 518 K HN 0.574 nan 8.250 nan 0.000 0.439 519 E N 1.598 121.825 120.200 0.046 0.000 2.015 519 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 519 E C 2.132 178.763 176.600 0.052 0.000 0.991 519 E CA 1.022 57.445 56.400 0.038 0.000 0.802 519 E CB -0.025 29.688 29.700 0.021 0.000 0.759 519 E HN 0.321 nan 8.360 nan 0.000 0.447 520 E N 0.879 121.118 120.200 0.066 0.000 2.086 520 E HA -0.315 4.035 4.350 -0.001 0.000 0.205 520 E C 2.059 178.712 176.600 0.087 0.000 1.027 520 E CA 1.286 57.740 56.400 0.089 0.000 0.830 520 E CB -0.272 29.507 29.700 0.132 0.000 0.751 520 E HN 0.243 nan 8.360 nan 0.000 0.456 521 A N 1.262 124.132 122.820 0.082 0.000 1.852 521 A HA -0.340 3.980 4.320 -0.001 0.000 0.217 521 A C 2.095 179.659 177.584 -0.032 0.000 1.215 521 A CA 2.100 54.136 52.037 -0.002 0.000 0.641 521 A CB -0.897 18.037 19.000 -0.110 0.000 0.838 521 A HN 0.259 nan 8.150 nan 0.000 0.450 522 Q N -1.305 118.476 119.800 -0.031 0.000 2.234 522 Q HA -0.261 4.078 4.340 -0.001 0.000 0.206 522 Q C 2.304 178.308 176.000 0.008 0.000 0.980 522 Q CA 1.654 57.443 55.803 -0.023 0.000 0.869 522 Q CB -0.130 28.603 28.738 -0.008 0.000 0.912 522 Q HN 0.827 nan 8.270 nan 0.000 0.436 523 Q N 0.465 120.280 119.800 0.025 0.000 2.079 523 Q HA -0.075 4.264 4.340 -0.001 0.000 0.200 523 Q C 0.344 176.372 176.000 0.046 0.000 0.974 523 Q CA 0.542 56.367 55.803 0.036 0.000 0.840 523 Q CB 0.148 28.912 28.738 0.042 0.000 0.898 523 Q HN 0.349 nan 8.270 nan 0.000 0.430 524 I N 2.475 123.078 120.570 0.055 0.000 2.800 524 I HA -0.116 4.054 4.170 -0.001 0.000 0.309 524 I C -0.197 175.955 176.117 0.058 0.000 1.182 524 I CA 0.384 61.726 61.300 0.070 0.000 1.794 524 I CB 0.031 38.077 38.000 0.077 0.000 1.548 524 I HN 0.310 nan 8.210 nan 0.000 0.850 525 L N 4.839 126.100 121.223 0.063 0.000 3.088 525 L HA 0.227 4.567 4.340 -0.001 0.000 0.337 525 L C 1.343 178.254 176.870 0.070 0.000 1.293 525 L CA 0.258 55.142 54.840 0.073 0.000 0.784 525 L CB 0.843 42.936 42.059 0.056 0.000 1.215 525 L HN 0.475 nan 8.230 nan 0.000 0.581 526 G N 0.230 109.067 108.800 0.062 0.000 3.094 526 G HA2 0.125 4.084 3.960 -0.001 0.000 0.208 526 G HA3 0.125 4.084 3.960 -0.001 0.000 0.208 526 G C 0.473 175.399 174.900 0.043 0.000 1.189 526 G CA 0.162 45.293 45.100 0.051 0.000 0.856 526 G HN 0.139 nan 8.290 nan 0.000 0.510 527 V N 0.765 120.717 119.914 0.064 0.000 2.498 527 V HA 0.542 4.662 4.120 -0.001 0.000 0.279 527 V C 1.129 177.300 176.094 0.128 0.000 1.048 527 V CA -0.385 61.956 62.300 0.069 0.000 0.967 527 V CB 0.709 32.629 31.823 0.163 0.000 0.988 527 V HN 0.345 nan 8.190 nan 0.000 0.473 528 A N 3.487 126.387 122.820 0.134 0.000 3.707 528 A HA -0.013 4.307 4.320 -0.001 0.000 0.150 528 A C 1.808 179.556 177.584 0.274 0.000 1.404 528 A CA 1.086 53.230 52.037 0.179 0.000 0.977 528 A CB -0.771 18.330 19.000 0.168 0.000 1.174 528 A HN 0.871 nan 8.150 nan 0.000 0.547 529 D N -0.617 119.985 120.400 0.337 0.000 2.407 529 D HA -0.153 4.487 4.640 -0.001 0.000 0.197 529 D C 0.857 177.306 176.300 0.248 0.000 1.024 529 D CA 1.124 55.265 54.000 0.235 0.000 0.924 529 D CB -0.855 39.970 40.800 0.041 0.000 0.888 529 D HN 0.299 nan 8.370 nan 0.000 0.456 530 V N 1.454 121.687 119.914 0.532 0.000 2.864 530 V HA -0.231 3.889 4.120 -0.001 0.000 0.275 530 V C 1.427 177.632 176.094 0.183 0.000 0.972 530 V CA 0.732 63.326 62.300 0.490 0.000 1.176 530 V CB -0.419 31.698 31.823 0.489 0.000 0.838 530 V HN 0.248 nan 8.190 nan 0.000 0.454 531 K N 5.003 125.445 120.400 0.071 0.000 2.207 531 K HA -0.236 4.083 4.320 -0.001 0.000 0.208 531 K C 1.477 178.082 176.600 0.009 0.000 1.046 531 K CA 2.123 58.410 56.287 0.001 0.000 0.929 531 K CB -0.201 32.270 32.500 -0.049 0.000 0.720 531 K HN 0.859 nan 8.250 nan 0.000 0.463 532 I N -0.893 119.684 120.570 0.013 0.000 5.442 532 I HA -0.306 3.864 4.170 -0.001 0.000 0.157 532 I C -0.697 175.396 176.117 -0.040 0.000 1.809 532 I CA 0.220 61.513 61.300 -0.011 0.000 1.642 532 I CB -1.080 36.925 38.000 0.009 0.000 3.315 532 I HN 0.235 nan 8.210 nan 0.000 0.201 533 D N 4.087 124.463 120.400 -0.040 0.000 3.167 533 D HA -0.023 4.617 4.640 -0.001 0.000 0.232 533 D C 0.648 176.916 176.300 -0.053 0.000 1.231 533 D CA 0.627 54.602 54.000 -0.042 0.000 0.845 533 D CB 0.293 41.067 40.800 -0.043 0.000 1.157 533 D HN 0.166 nan 8.370 nan 0.000 0.576 534 L N 2.082 123.282 121.223 -0.038 0.000 3.088 534 L HA -0.134 4.206 4.340 -0.001 0.000 0.376 534 L C 0.539 177.386 176.870 -0.039 0.000 1.239 534 L CA 1.273 56.094 54.840 -0.032 0.000 0.807 534 L CB -0.108 41.949 42.059 -0.004 0.000 1.047 534 L HN 0.478 nan 8.230 nan 0.000 0.635 535 G N 4.470 113.246 108.800 -0.040 0.000 2.513 535 G HA2 0.483 4.442 3.960 -0.001 0.000 0.317 535 G HA3 0.483 4.442 3.960 -0.001 0.000 0.317 535 G C -0.893 174.104 174.900 0.161 0.000 1.277 535 G CA -0.559 44.533 45.100 -0.014 0.000 0.955 535 G HN 0.747 nan 8.290 nan 0.000 0.484 536 E N 2.694 122.985 120.200 0.152 0.000 2.044 536 E HA 0.224 4.573 4.350 -0.001 0.000 0.282 536 E C -2.071 174.637 176.600 0.180 0.000 1.031 536 E CA -1.393 55.099 56.400 0.153 0.000 0.824 536 E CB 1.173 30.919 29.700 0.075 0.000 1.076 536 E HN 0.254 nan 8.360 nan 0.000 0.395 537 P HA -0.245 nan 4.420 nan 0.000 0.265 537 P C -0.106 177.180 177.300 -0.022 0.000 1.132 537 P CA 0.498 63.491 63.100 -0.179 0.000 0.752 537 P CB 0.577 32.105 31.700 -0.288 0.000 0.728 538 A N 4.666 127.492 122.820 0.009 0.000 1.943 538 A HA 0.045 4.365 4.320 -0.001 0.000 0.213 538 A C 0.940 178.534 177.584 0.017 0.000 1.181 538 A CA 0.841 52.909 52.037 0.052 0.000 0.653 538 A CB 0.021 19.081 19.000 0.100 0.000 0.833 538 A HN 0.481 nan 8.150 nan 0.000 0.451 539 I N 1.765 122.332 120.570 -0.004 0.000 2.287 539 I HA 0.231 4.401 4.170 -0.001 0.000 0.290 539 I C 0.507 176.622 176.117 -0.004 0.000 1.069 539 I CA 0.093 61.406 61.300 0.021 0.000 1.237 539 I CB 0.749 38.805 38.000 0.094 0.000 1.418 539 I HN 0.263 nan 8.210 nan 0.000 0.481 540 L N 4.435 125.656 121.223 -0.003 0.000 2.470 540 L HA 0.193 4.532 4.340 -0.001 0.000 0.219 540 L C 1.990 178.863 176.870 0.005 0.000 1.071 540 L CA 0.222 55.056 54.840 -0.011 0.000 0.850 540 L CB -0.000 42.052 42.059 -0.011 0.000 1.040 540 L HN 0.637 nan 8.230 nan 0.000 0.475 541 A N 1.271 124.098 122.820 0.013 0.000 3.281 541 A HA 0.028 4.348 4.320 -0.001 0.000 0.207 541 A C -1.740 175.860 177.584 0.026 0.000 0.770 541 A CA 0.056 52.102 52.037 0.014 0.000 1.301 541 A CB -1.844 17.162 19.000 0.009 0.000 0.990 541 A HN 0.071 nan 8.150 nan 0.000 0.528 542 P HA 0.250 nan 4.420 nan 0.000 0.265 542 P C 0.524 177.880 177.300 0.094 0.000 1.187 542 P CA 0.489 63.616 63.100 0.045 0.000 0.766 542 P CB 0.284 32.004 31.700 0.033 0.000 0.820 543 R N 1.073 121.626 120.500 0.087 0.000 3.465 543 R HA -0.200 4.140 4.340 -0.001 0.000 0.615 543 R C -0.534 175.804 176.300 0.063 0.000 0.241 543 R CA 1.272 57.428 56.100 0.095 0.000 1.893 543 R CB -0.505 29.931 30.300 0.227 0.000 0.874 543 R HN 0.485 nan 8.270 nan 0.000 0.619 544 E N 0.311 120.461 120.200 -0.083 0.000 2.199 544 E HA 0.422 4.772 4.350 -0.001 0.000 0.265 544 E C -1.266 175.071 176.600 -0.439 0.000 0.882 544 E CA -0.317 55.961 56.400 -0.204 0.000 0.759 544 E CB 1.605 31.151 29.700 -0.257 0.000 1.148 544 E HN 0.365 nan 8.360 nan 0.000 0.412 545 Y N 0.669 120.786 120.300 -0.305 0.000 2.689 545 Y HA 0.409 4.958 4.550 -0.001 0.000 0.333 545 Y C -1.165 174.490 175.900 -0.409 0.000 1.208 545 Y CA -0.947 56.974 58.100 -0.298 0.000 1.055 545 Y CB 1.566 39.974 38.460 -0.086 0.000 1.304 545 Y HN 0.328 nan 8.280 nan 0.000 0.455 546 Y N -0.831 119.582 120.300 0.189 0.000 2.433 546 Y HA 0.530 5.080 4.550 -0.001 0.000 0.337 546 Y C -0.143 175.804 175.900 0.080 0.000 1.026 546 Y CA -1.684 56.469 58.100 0.088 0.000 1.037 546 Y CB 1.374 39.852 38.460 0.030 0.000 1.245 546 Y HN 0.529 nan 8.280 nan 0.000 0.443 547 T N -1.793 112.874 114.554 0.189 0.000 2.868 547 T HA 0.336 4.686 4.350 -0.001 0.000 0.292 547 T C 1.362 176.082 174.700 0.033 0.000 1.028 547 T CA -0.118 62.040 62.100 0.098 0.000 1.059 547 T CB 1.503 70.403 68.868 0.054 0.000 0.991 547 T HN 0.935 nan 8.240 nan 0.000 0.531 548 G N 0.591 109.363 108.800 -0.047 0.000 2.442 548 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.219 548 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.219 548 G C 1.342 176.138 174.900 -0.173 0.000 1.141 548 G CA 0.333 45.331 45.100 -0.170 0.000 0.763 548 G HN 0.803 nan 8.290 nan 0.000 0.554 549 K N -0.167 120.165 120.400 -0.113 0.000 2.366 549 K HA -0.180 4.140 4.320 -0.001 0.000 0.202 549 K C 2.379 178.925 176.600 -0.090 0.000 1.045 549 K CA 1.366 57.590 56.287 -0.105 0.000 0.934 549 K CB -0.043 32.444 32.500 -0.020 0.000 0.746 549 K HN 0.427 nan 8.250 nan 0.000 0.470 550 Q N 0.589 120.348 119.800 -0.069 0.000 1.961 550 Q HA -0.095 4.245 4.340 -0.001 0.000 0.197 550 Q C 1.993 177.907 176.000 -0.143 0.000 0.977 550 Q CA 1.267 57.033 55.803 -0.061 0.000 0.830 550 Q CB -0.311 28.428 28.738 0.001 0.000 0.896 550 Q HN 0.122 nan 8.270 nan 0.000 0.437 551 V N 1.256 121.057 119.914 -0.188 0.000 2.233 551 V HA -0.368 3.752 4.120 -0.001 0.000 0.256 551 V C 2.224 178.128 176.094 -0.316 0.000 1.069 551 V CA 2.677 64.815 62.300 -0.270 0.000 1.054 551 V CB -0.790 30.885 31.823 -0.247 0.000 0.664 551 V HN 0.668 nan 8.190 nan 0.000 0.453 552 I N -0.353 120.069 120.570 -0.246 0.000 2.361 552 I HA -0.105 4.064 4.170 -0.001 0.000 0.251 552 I C 2.421 178.478 176.117 -0.099 0.000 1.133 552 I CA 2.305 63.524 61.300 -0.135 0.000 1.413 552 I CB -1.299 36.525 38.000 -0.294 0.000 1.073 552 I HN 0.283 nan 8.210 nan 0.000 0.424 553 S N 0.449 116.079 115.700 -0.116 0.000 2.571 553 S HA 0.050 4.520 4.470 -0.001 0.000 0.245 553 S C 1.965 176.531 174.600 -0.058 0.000 0.976 553 S CA 0.917 59.100 58.200 -0.029 0.000 0.954 553 S CB -0.637 62.553 63.200 -0.017 0.000 0.756 553 S HN 0.729 nan 8.310 nan 0.000 0.535 554 A N -0.376 122.327 122.820 -0.196 0.000 2.095 554 A HA 0.343 4.663 4.320 -0.001 0.000 0.212 554 A C 1.246 178.712 177.584 -0.197 0.000 1.162 554 A CA 0.193 52.069 52.037 -0.268 0.000 0.753 554 A CB -0.377 18.345 19.000 -0.463 0.000 0.840 554 A HN 0.566 nan 8.150 nan 0.000 0.468 555 F N 0.135 120.128 119.950 0.072 0.000 2.797 555 F HA 0.344 4.871 4.527 -0.001 0.000 0.302 555 F C 0.514 176.450 175.800 0.227 0.000 1.130 555 F CA -0.081 58.021 58.000 0.170 0.000 1.387 555 F CB -0.191 38.743 39.000 -0.108 0.000 1.107 555 F HN -0.005 nan 8.300 nan 0.000 0.577 556 L N 1.436 122.804 121.223 0.241 0.000 2.307 556 L HA 0.373 4.713 4.340 -0.001 0.000 0.282 556 L C -2.193 174.688 176.870 0.017 0.000 1.051 556 L CA -2.106 52.816 54.840 0.137 0.000 0.804 556 L CB 1.144 43.309 42.059 0.177 0.000 1.197 556 L HN -0.272 nan 8.230 nan 0.000 0.431 557 P HA -0.010 nan 4.420 nan 0.000 0.266 557 P C -0.028 177.274 177.300 0.004 0.000 1.215 557 P CA -0.341 62.621 63.100 -0.230 0.000 0.763 557 P CB 0.280 31.661 31.700 -0.532 0.000 0.806 558 K N 2.342 122.738 120.400 -0.006 0.000 2.640 558 K HA -0.153 4.166 4.320 -0.001 0.000 0.193 558 K C 0.340 176.965 176.600 0.042 0.000 1.036 558 K CA 1.162 57.464 56.287 0.026 0.000 0.962 558 K CB -0.426 32.075 32.500 0.001 0.000 0.791 558 K HN 0.468 nan 8.250 nan 0.000 0.491 559 D N -0.498 119.956 120.400 0.090 0.000 2.556 559 D HA -0.003 4.637 4.640 -0.001 0.000 0.237 559 D C -0.812 175.586 176.300 0.162 0.000 1.296 559 D CA -0.696 53.351 54.000 0.078 0.000 0.807 559 D CB -0.279 40.568 40.800 0.077 0.000 1.084 559 D HN 0.060 nan 8.370 nan 0.000 0.510 560 F N 1.850 121.831 119.950 0.051 0.000 2.394 560 F HA 0.532 5.059 4.527 -0.001 0.000 0.340 560 F C -0.733 175.101 175.800 0.057 0.000 1.105 560 F CA -0.421 57.645 58.000 0.110 0.000 1.124 560 F CB 0.881 39.971 39.000 0.150 0.000 1.145 560 F HN -0.218 nan 8.300 nan 0.000 0.505 561 N N 5.431 123.768 118.700 -0.605 0.000 2.235 561 N HA 0.575 5.315 4.740 -0.001 0.000 0.293 561 N C -2.085 173.149 175.510 -0.460 0.000 1.083 561 N CA -0.604 52.155 53.050 -0.485 0.000 0.801 561 N CB 2.188 40.457 38.487 -0.363 0.000 1.559 561 N HN 0.467 nan 8.380 nan 0.000 0.472 562 F N 0.882 120.569 119.950 -0.438 0.000 2.623 562 F HA 0.345 4.872 4.527 -0.001 0.000 0.323 562 F C -1.470 174.324 175.800 -0.010 0.000 1.158 562 F CA -0.410 57.476 58.000 -0.190 0.000 1.030 562 F CB 1.269 40.146 39.000 -0.205 0.000 1.280 562 F HN 0.568 nan 8.300 nan 0.000 0.474 563 H N 3.918 122.673 119.070 -0.526 0.000 2.595 563 H HA 0.722 5.277 4.556 -0.001 0.000 0.313 563 H C 0.110 174.821 175.328 -1.028 0.000 1.023 563 H CA -0.696 55.051 56.048 -0.501 0.000 1.218 563 H CB 1.371 31.188 29.762 0.091 0.000 1.403 563 H HN 0.892 nan 8.280 nan 0.000 0.477 564 G N 2.280 110.499 108.800 -0.970 0.000 2.601 564 G HA2 0.176 4.136 3.960 -0.001 0.000 0.291 564 G HA3 0.176 4.136 3.960 -0.001 0.000 0.291 564 G C -1.821 172.890 174.900 -0.315 0.000 1.456 564 G CA -0.842 43.924 45.100 -0.557 0.000 0.804 564 G HN 0.527 nan 8.290 nan 0.000 0.499 565 Q N 0.224 120.095 119.800 0.118 0.000 2.257 565 Q HA 0.682 5.022 4.340 -0.001 0.000 0.255 565 Q C 0.466 176.550 176.000 0.140 0.000 0.920 565 Q CA -0.429 55.516 55.803 0.237 0.000 0.927 565 Q CB 1.447 30.349 28.738 0.274 0.000 1.229 565 Q HN 0.933 nan 8.270 nan 0.000 0.433 566 A N 3.120 126.009 122.820 0.116 0.000 2.262 566 A HA 0.078 4.398 4.320 -0.001 0.000 0.273 566 A C 0.521 178.124 177.584 0.032 0.000 1.202 566 A CA 0.138 52.214 52.037 0.065 0.000 0.811 566 A CB 0.149 19.182 19.000 0.055 0.000 1.159 566 A HN 1.031 nan 8.150 nan 0.000 0.505 567 N N -1.606 117.082 118.700 -0.019 0.000 2.422 567 N HA -0.041 4.698 4.740 -0.001 0.000 0.181 567 N C 0.894 176.364 175.510 -0.066 0.000 1.080 567 N CA 1.028 54.053 53.050 -0.041 0.000 0.893 567 N CB 0.004 38.453 38.487 -0.063 0.000 0.973 567 N HN 0.224 nan 8.380 nan 0.000 0.456 568 V N -0.584 119.277 119.914 -0.089 0.000 2.871 568 V HA 0.012 4.132 4.120 -0.001 0.000 0.256 568 V C 1.139 177.209 176.094 -0.041 0.000 1.082 568 V CA 0.755 62.993 62.300 -0.103 0.000 1.105 568 V CB -0.464 31.273 31.823 -0.143 0.000 0.713 568 V HN 0.288 nan 8.190 nan 0.000 0.473 569 S N 1.883 117.586 115.700 0.005 0.000 3.944 569 S HA 0.130 4.600 4.470 -0.001 0.000 0.215 569 S C 0.331 174.943 174.600 0.019 0.000 1.220 569 S CA 0.052 58.274 58.200 0.037 0.000 0.950 569 S CB -0.927 62.327 63.200 0.089 0.000 1.615 569 S HN 0.712 nan 8.310 nan 0.000 0.466 570 S N 1.919 117.617 115.700 -0.003 0.000 2.677 570 S HA 0.782 5.252 4.470 -0.001 0.000 0.283 570 S C 0.476 175.079 174.600 0.005 0.000 1.159 570 S CA -0.300 57.900 58.200 -0.001 0.000 1.001 570 S CB 1.212 64.401 63.200 -0.017 0.000 1.032 570 S HN 1.081 nan 8.310 nan 0.000 0.487 571 G N 4.247 113.058 108.800 0.018 0.000 2.552 571 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.267 571 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.267 571 G C -1.624 173.292 174.900 0.025 0.000 1.174 571 G CA 0.001 45.118 45.100 0.028 0.000 0.955 571 G HN 0.799 nan 8.290 nan 0.000 0.546 572 P HA 0.103 nan 4.420 nan 0.000 0.239 572 P C 1.181 178.444 177.300 -0.061 0.000 1.184 572 P CA 0.907 64.018 63.100 0.018 0.000 0.760 572 P CB 0.056 31.767 31.700 0.018 0.000 0.884 573 R N -1.051 119.374 120.500 -0.126 0.000 2.307 573 R HA 0.280 4.620 4.340 -0.001 0.000 0.200 573 R C 1.105 177.444 176.300 0.065 0.000 0.893 573 R CA -0.377 55.542 56.100 -0.301 0.000 1.042 573 R CB -0.694 29.437 30.300 -0.283 0.000 1.059 573 R HN 0.134 nan 8.270 nan 0.000 0.530 574 L N 0.150 121.419 121.223 0.077 0.000 2.742 574 L HA -0.329 4.010 4.340 -0.001 0.000 0.297 574 L C 0.239 177.197 176.870 0.146 0.000 1.238 574 L CA 0.676 55.573 54.840 0.095 0.000 0.895 574 L CB 0.454 42.550 42.059 0.063 0.000 1.166 574 L HN 0.416 nan 8.230 nan 0.000 0.494 575 C N 3.194 122.559 119.300 0.109 0.000 2.605 575 C HA 0.163 4.623 4.460 -0.001 0.000 0.364 575 C C 1.778 176.711 174.990 -0.095 0.000 1.656 575 C CA 0.218 59.279 59.018 0.071 0.000 2.400 575 C CB 0.012 27.850 27.740 0.163 0.000 2.132 575 C HN 1.131 nan 8.230 nan 0.000 0.668 576 K N -0.490 119.789 120.400 -0.202 0.000 10.883 576 K HA -0.199 4.121 4.320 -0.001 0.000 0.526 576 K C -0.154 175.837 176.600 -1.014 0.000 0.382 576 K CA 1.946 57.936 56.287 -0.494 0.000 1.943 576 K CB -1.552 30.802 32.500 -0.243 0.000 0.766 576 K HN 0.421 nan 8.250 nan 0.000 1.214 577 N N 2.025 120.394 118.700 -0.553 0.000 2.503 577 N HA -0.007 4.732 4.740 -0.001 0.000 0.267 577 N C 0.861 176.162 175.510 -0.349 0.000 1.214 577 N CA 0.414 53.187 53.050 -0.463 0.000 0.959 577 N CB 0.713 39.069 38.487 -0.218 0.000 1.142 577 N HN 0.286 nan 8.380 nan 0.000 0.455 578 E N -0.413 119.704 120.200 -0.139 0.000 2.331 578 E HA -0.204 4.146 4.350 -0.001 0.000 0.199 578 E C -0.258 176.384 176.600 0.070 0.000 1.008 578 E CA 0.794 57.274 56.400 0.132 0.000 0.843 578 E CB -0.191 29.588 29.700 0.133 0.000 0.761 578 E HN 0.448 nan 8.360 nan 0.000 0.507 579 D N 0.789 121.184 120.400 -0.009 0.000 2.393 579 D HA 0.147 4.787 4.640 -0.001 0.000 0.232 579 D C -1.459 174.830 176.300 -0.018 0.000 1.192 579 D CA -0.460 53.535 54.000 -0.007 0.000 0.882 579 D CB 0.160 40.945 40.800 -0.026 0.000 1.038 579 D HN -0.030 nan 8.370 nan 0.000 0.499 580 C N 6.732 126.037 119.300 0.008 0.000 2.817 580 C HA 0.269 4.728 4.460 -0.001 0.000 0.385 580 C C -1.214 173.756 174.990 -0.032 0.000 1.050 580 C CA -0.944 58.067 59.018 -0.012 0.000 1.245 580 C CB 2.227 29.997 27.740 0.050 0.000 1.706 580 C HN 0.528 nan 8.230 nan 0.000 0.488 581 P HA -0.130 nan 4.420 nan 0.000 0.226 581 P C 0.040 177.258 177.300 -0.137 0.000 1.146 581 P CA 1.359 64.347 63.100 -0.187 0.000 0.773 581 P CB 0.108 31.623 31.700 -0.308 0.000 0.772 582 H N -0.123 119.008 119.070 0.101 0.000 2.457 582 H HA 0.154 4.709 4.556 -0.001 0.000 0.335 582 H C 0.430 175.843 175.328 0.141 0.000 1.115 582 H CA -0.805 55.321 56.048 0.129 0.000 1.219 582 H CB 0.922 30.756 29.762 0.121 0.000 1.471 582 H HN -0.121 nan 8.280 nan 0.000 0.491 583 D N 1.574 122.146 120.400 0.287 0.000 2.355 583 D HA -0.077 4.563 4.640 -0.001 0.000 0.253 583 D C 1.249 177.682 176.300 0.222 0.000 1.187 583 D CA 0.305 54.443 54.000 0.230 0.000 0.900 583 D CB 0.210 41.146 40.800 0.226 0.000 0.915 583 D HN 0.451 nan 8.370 nan 0.000 0.516 584 S N -0.429 115.415 115.700 0.239 0.000 2.110 584 S HA -0.129 4.340 4.470 -0.001 0.000 0.152 584 S C 0.345 175.085 174.600 0.234 0.000 1.404 584 S CA -0.331 57.992 58.200 0.206 0.000 2.390 584 S CB -0.477 62.847 63.200 0.207 0.000 0.276 584 S HN 0.270 nan 8.310 nan 0.000 0.349 585 Y N 1.398 121.758 120.300 0.100 0.000 2.800 585 Y HA -0.083 4.466 4.550 -0.001 0.000 0.401 585 Y C -0.444 175.521 175.900 0.109 0.000 1.040 585 Y CA 0.282 58.431 58.100 0.082 0.000 1.529 585 Y CB -0.598 37.892 38.460 0.051 0.000 0.998 585 Y HN 0.265 nan 8.280 nan 0.000 0.517 586 V N 6.927 126.666 119.914 -0.291 0.000 2.644 586 V HA 0.549 4.669 4.120 -0.001 0.000 0.295 586 V C -0.284 175.619 176.094 -0.318 0.000 1.053 586 V CA -0.790 61.424 62.300 -0.144 0.000 0.987 586 V CB 1.677 33.549 31.823 0.082 0.000 1.006 586 V HN 0.513 nan 8.190 nan 0.000 0.472 587 V N 5.486 125.376 119.914 -0.040 0.000 2.623 587 V HA 0.543 4.663 4.120 -0.001 0.000 0.304 587 V C -0.592 175.568 176.094 0.111 0.000 1.054 587 V CA -0.320 62.003 62.300 0.039 0.000 0.882 587 V CB 1.880 33.775 31.823 0.120 0.000 1.002 587 V HN 0.688 nan 8.190 nan 0.000 0.424 588 I N 4.599 125.219 120.570 0.084 0.000 2.476 588 I HA 0.450 4.620 4.170 -0.001 0.000 0.281 588 I C -0.474 175.633 176.117 -0.015 0.000 1.040 588 I CA -0.500 60.872 61.300 0.121 0.000 1.094 588 I CB 1.847 40.019 38.000 0.286 0.000 1.219 588 I HN 0.514 nan 8.210 nan 0.000 0.450 589 K N 5.760 126.155 120.400 -0.008 0.000 2.244 589 K HA 0.406 4.726 4.320 -0.001 0.000 0.260 589 K C -0.243 176.336 176.600 -0.035 0.000 0.951 589 K CA -0.819 55.414 56.287 -0.090 0.000 0.826 589 K CB 1.192 33.636 32.500 -0.094 0.000 1.108 589 K HN 0.488 nan 8.250 nan 0.000 0.433 590 N N 1.428 120.087 118.700 -0.069 0.000 2.716 590 N HA -0.194 4.546 4.740 -0.001 0.000 0.250 590 N C 0.299 175.862 175.510 0.087 0.000 1.033 590 N CA 1.372 54.417 53.050 -0.008 0.000 0.727 590 N CB -1.560 36.899 38.487 -0.047 0.000 0.950 590 N HN 1.124 nan 8.380 nan 0.000 0.541 591 G N -0.621 108.300 108.800 0.202 0.000 2.333 591 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.296 591 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.296 591 G C -0.137 174.852 174.900 0.150 0.000 1.059 591 G CA 0.463 45.710 45.100 0.244 0.000 1.050 591 G HN 0.616 nan 8.290 nan 0.000 0.508 592 I N -0.484 120.173 120.570 0.145 0.000 2.569 592 I HA 0.335 4.505 4.170 -0.001 0.000 0.290 592 I C 0.376 176.569 176.117 0.127 0.000 1.088 592 I CA -0.899 60.460 61.300 0.098 0.000 1.047 592 I CB 2.191 40.228 38.000 0.063 0.000 1.237 592 I HN 0.029 nan 8.210 nan 0.000 0.421 593 L N 7.081 128.369 121.223 0.109 0.000 2.783 593 L HA 0.417 4.757 4.340 -0.001 0.000 0.235 593 L C -0.446 176.488 176.870 0.106 0.000 1.260 593 L CA -0.520 54.400 54.840 0.133 0.000 1.184 593 L CB -0.054 42.057 42.059 0.086 0.000 1.472 593 L HN 0.502 nan 8.230 nan 0.000 0.426 594 L N 3.111 124.396 121.223 0.104 0.000 2.462 594 L HA 0.093 4.432 4.340 -0.001 0.000 0.272 594 L C 0.603 177.538 176.870 0.110 0.000 1.166 594 L CA -0.149 54.748 54.840 0.094 0.000 0.880 594 L CB 0.021 42.135 42.059 0.091 0.000 1.142 594 L HN 0.587 nan 8.230 nan 0.000 0.473 595 E N 2.213 122.476 120.200 0.106 0.000 5.554 595 E HA -0.044 4.306 4.350 -0.001 0.000 0.416 595 E C -0.204 176.480 176.600 0.140 0.000 0.455 595 E CA 0.359 56.832 56.400 0.121 0.000 1.025 595 E CB -1.114 28.663 29.700 0.127 0.000 0.733 595 E HN 0.962 nan 8.360 nan 0.000 0.361 596 G N 0.453 109.350 108.800 0.161 0.000 2.358 596 G HA2 0.414 4.374 3.960 -0.001 0.000 0.301 596 G HA3 0.414 4.374 3.960 -0.001 0.000 0.301 596 G C -1.429 173.615 174.900 0.241 0.000 1.539 596 G CA -0.374 44.848 45.100 0.203 0.000 0.893 596 G HN 0.820 nan 8.290 nan 0.000 0.636 597 V N 1.286 121.368 119.914 0.279 0.000 2.525 597 V HA 0.533 4.653 4.120 -0.001 0.000 0.299 597 V C -0.273 176.053 176.094 0.386 0.000 1.034 597 V CA -0.650 61.828 62.300 0.296 0.000 0.863 597 V CB 1.301 33.245 31.823 0.202 0.000 0.999 597 V HN 0.659 nan 8.190 nan 0.000 0.423 598 F N 5.155 125.188 119.950 0.139 0.000 2.410 598 F HA 0.479 5.006 4.527 -0.001 0.000 0.334 598 F C 0.632 176.469 175.800 0.061 0.000 1.134 598 F CA 0.349 58.435 58.000 0.144 0.000 1.227 598 F CB 1.356 40.507 39.000 0.252 0.000 1.194 598 F HN 0.763 nan 8.300 nan 0.000 0.571 599 D N 0.092 120.572 120.400 0.133 0.000 3.522 599 D HA -0.000 4.639 4.640 -0.001 0.000 0.363 599 D C 0.261 176.543 176.300 -0.030 0.000 1.509 599 D CA -0.705 53.301 54.000 0.011 0.000 0.907 599 D CB 0.269 40.990 40.800 -0.132 0.000 1.485 599 D HN 0.348 nan 8.370 nan 0.000 0.560 600 K N -0.076 120.293 120.400 -0.051 0.000 2.089 600 K HA -0.195 4.125 4.320 -0.001 0.000 0.210 600 K C 1.372 177.935 176.600 -0.061 0.000 1.048 600 K CA 1.367 57.621 56.287 -0.054 0.000 0.926 600 K CB -0.058 32.412 32.500 -0.050 0.000 0.714 600 K HN 0.114 nan 8.250 nan 0.000 0.448 601 K N -0.349 120.019 120.400 -0.053 0.000 2.442 601 K HA -0.045 4.274 4.320 -0.001 0.000 0.198 601 K C 1.461 178.013 176.600 -0.081 0.000 1.042 601 K CA 1.036 57.297 56.287 -0.042 0.000 0.958 601 K CB 0.317 32.817 32.500 -0.001 0.000 0.766 601 K HN 0.372 nan 8.250 nan 0.000 0.474 602 A N 0.201 122.941 122.820 -0.134 0.000 2.074 602 A HA 0.182 4.501 4.320 -0.001 0.000 0.200 602 A C 1.442 178.906 177.584 -0.201 0.000 1.335 602 A CA 0.010 51.886 52.037 -0.269 0.000 0.922 602 A CB 0.377 19.028 19.000 -0.581 0.000 0.972 602 A HN 0.263 nan 8.150 nan 0.000 0.475 603 I N -3.427 117.086 120.570 -0.096 0.000 3.813 603 I HA 0.528 4.698 4.170 -0.001 0.000 0.323 603 I C 0.503 176.546 176.117 -0.123 0.000 1.536 603 I CA -0.289 60.996 61.300 -0.025 0.000 1.083 603 I CB 0.422 38.537 38.000 0.192 0.000 1.265 603 I HN 0.063 nan 8.210 nan 0.000 0.507 604 G N 0.895 109.624 108.800 -0.118 0.000 2.531 604 G HA2 0.215 4.175 3.960 -0.001 0.000 0.313 604 G HA3 0.215 4.175 3.960 -0.001 0.000 0.313 604 G C 0.247 175.067 174.900 -0.133 0.000 1.238 604 G CA -0.641 44.382 45.100 -0.127 0.000 0.994 604 G HN 0.251 nan 8.290 nan 0.000 0.493 605 N N -0.199 118.432 118.700 -0.116 0.000 2.680 605 N HA -0.071 4.669 4.740 -0.001 0.000 0.197 605 N C 0.754 176.212 175.510 -0.085 0.000 1.288 605 N CA 0.334 53.323 53.050 -0.101 0.000 0.924 605 N CB 0.104 38.549 38.487 -0.070 0.000 1.025 605 N HN 0.446 nan 8.380 nan 0.000 0.447 606 Q N 1.670 121.416 119.800 -0.090 0.000 2.257 606 Q HA 0.002 4.342 4.340 -0.001 0.000 0.273 606 Q C 0.980 176.930 176.000 -0.085 0.000 1.153 606 Q CA 0.323 56.080 55.803 -0.077 0.000 0.922 606 Q CB 0.337 29.029 28.738 -0.077 0.000 1.242 606 Q HN 0.274 nan 8.270 nan 0.000 0.409 607 Q N 4.558 124.319 119.800 -0.065 0.000 1.864 607 Q HA -0.024 4.315 4.340 -0.001 0.000 0.219 607 Q C -0.971 175.037 176.000 0.013 0.000 0.975 607 Q CA 0.773 56.539 55.803 -0.062 0.000 0.862 607 Q CB -0.852 27.849 28.738 -0.061 0.000 0.913 607 Q HN 0.519 nan 8.270 nan 0.000 0.431 608 P HA -0.281 nan 4.420 nan 0.000 0.251 608 P C -0.504 176.885 177.300 0.148 0.000 0.754 608 P CA 2.294 65.516 63.100 0.204 0.000 1.051 608 P CB -0.093 31.637 31.700 0.051 0.000 0.785 609 E N -3.658 116.457 120.200 -0.140 0.000 3.850 609 E HA 0.156 4.506 4.350 -0.001 0.000 0.168 609 E C -0.373 175.807 176.600 -0.701 0.000 1.035 609 E CA -0.202 55.774 56.400 -0.706 0.000 1.528 609 E CB 0.031 29.566 29.700 -0.276 0.000 1.154 609 E HN 0.104 nan 8.360 nan 0.000 0.383 610 S N 0.535 116.022 115.700 -0.356 0.000 2.525 610 S HA -0.046 4.424 4.470 -0.001 0.000 0.282 610 S C 1.563 175.911 174.600 -0.421 0.000 1.324 610 S CA 0.108 58.137 58.200 -0.285 0.000 1.025 610 S CB 0.376 63.471 63.200 -0.176 0.000 0.820 610 S HN 0.376 nan 8.310 nan 0.000 0.514 611 I N 3.223 123.569 120.570 -0.374 0.000 2.226 611 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 611 I C 2.354 178.405 176.117 -0.110 0.000 1.100 611 I CA 1.427 62.524 61.300 -0.338 0.000 1.374 611 I CB -0.412 37.397 38.000 -0.318 0.000 1.057 611 I HN 0.742 nan 8.210 nan 0.000 0.413 612 L N 0.168 121.320 121.223 -0.118 0.000 2.127 612 L HA -0.280 4.060 4.340 -0.001 0.000 0.211 612 L C 2.738 179.595 176.870 -0.022 0.000 1.089 612 L CA 1.655 56.470 54.840 -0.041 0.000 0.757 612 L CB -0.565 41.486 42.059 -0.014 0.000 0.899 612 L HN 0.323 nan 8.230 nan 0.000 0.434 613 H N 0.073 119.000 119.070 -0.239 0.000 2.269 613 H HA -0.224 4.332 4.556 -0.001 0.000 0.299 613 H C 1.834 177.070 175.328 -0.152 0.000 1.058 613 H CA 2.431 58.287 56.048 -0.319 0.000 1.246 613 H CB -1.153 28.220 29.762 -0.648 0.000 1.376 613 H HN 0.551 nan 8.280 nan 0.000 0.503 614 W N 0.843 122.236 121.300 0.155 0.000 2.361 614 W HA -0.168 4.492 4.660 -0.000 0.000 0.270 614 W C 2.673 179.380 176.519 0.314 0.000 1.210 614 W CA 0.241 57.672 57.345 0.144 0.000 1.174 614 W CB -0.187 29.297 29.460 0.041 0.000 1.131 614 W HN 0.191 nan 8.180 nan 0.000 0.575 615 L N -0.987 120.483 121.223 0.412 0.000 2.084 615 L HA -0.179 4.161 4.340 -0.001 0.000 0.202 615 L C 2.368 179.506 176.870 0.446 0.000 1.074 615 L CA 0.548 55.581 54.840 0.321 0.000 0.757 615 L CB -0.767 41.307 42.059 0.024 0.000 0.918 615 L HN -0.072 nan 8.230 nan 0.000 0.444 616 I N 0.171 120.895 120.570 0.256 0.000 2.252 616 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 616 I C 2.526 178.789 176.117 0.243 0.000 1.102 616 I CA 1.343 62.758 61.300 0.191 0.000 1.385 616 I CB -0.911 37.113 38.000 0.041 0.000 1.064 616 I HN 0.328 nan 8.210 nan 0.000 0.414 617 K N 1.267 121.844 120.400 0.295 0.000 1.965 617 K HA -0.179 4.140 4.320 -0.001 0.000 0.220 617 K C 1.012 177.751 176.600 0.232 0.000 1.046 617 K CA 1.388 57.854 56.287 0.300 0.000 0.974 617 K CB -0.222 32.555 32.500 0.461 0.000 0.738 617 K HN 0.215 nan 8.250 nan 0.000 0.444 618 E N 0.094 120.409 120.200 0.193 0.000 2.545 618 E HA 0.035 4.385 4.350 -0.001 0.000 0.271 618 E C -1.108 175.208 176.600 -0.472 0.000 1.508 618 E CA 0.070 56.417 56.400 -0.089 0.000 1.774 618 E CB -0.074 29.530 29.700 -0.159 0.000 1.460 618 E HN 0.208 nan 8.360 nan 0.000 0.449 619 Y N -1.533 118.865 120.300 0.164 0.000 2.656 619 Y HA 0.037 4.586 4.550 -0.001 0.000 0.334 619 Y C 0.320 176.310 175.900 0.149 0.000 1.179 619 Y CA -1.276 56.913 58.100 0.149 0.000 1.050 619 Y CB 1.107 39.693 38.460 0.210 0.000 1.308 619 Y HN -0.020 nan 8.280 nan 0.000 0.456 620 S N -0.100 115.812 115.700 0.353 0.000 2.563 620 S HA -0.023 4.447 4.470 -0.001 0.000 0.284 620 S C 0.140 174.843 174.600 0.171 0.000 1.331 620 S CA -0.345 57.987 58.200 0.221 0.000 1.047 620 S CB 0.507 63.815 63.200 0.180 0.000 0.859 620 S HN 0.621 nan 8.310 nan 0.000 0.514 621 D N 1.284 121.754 120.400 0.118 0.000 2.379 621 D HA 0.013 4.652 4.640 -0.001 0.000 0.243 621 D C 1.092 177.363 176.300 -0.049 0.000 1.088 621 D CA 0.487 54.533 54.000 0.078 0.000 0.925 621 D CB 0.051 40.939 40.800 0.148 0.000 0.888 621 D HN 0.712 nan 8.370 nan 0.000 0.529 622 E N -1.088 119.116 120.200 0.007 0.000 2.441 622 E HA -0.068 4.281 4.350 -0.001 0.000 0.207 622 E C 1.680 178.321 176.600 0.067 0.000 0.803 622 E CA -0.083 56.305 56.400 -0.020 0.000 1.240 622 E CB -0.625 29.095 29.700 0.033 0.000 1.233 622 E HN 0.272 nan 8.360 nan 0.000 0.590 623 Y N 2.994 123.311 120.300 0.028 0.000 2.263 623 Y HA 0.072 4.622 4.550 -0.001 0.000 0.292 623 Y C 2.186 178.152 175.900 0.110 0.000 1.130 623 Y CA 1.751 59.915 58.100 0.106 0.000 1.179 623 Y CB -0.609 37.878 38.460 0.045 0.000 0.998 623 Y HN 0.043 nan 8.280 nan 0.000 0.532 624 G N 0.747 109.509 108.800 -0.064 0.000 2.587 624 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.217 624 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.217 624 G C 1.762 176.510 174.900 -0.252 0.000 1.240 624 G CA 1.245 46.228 45.100 -0.196 0.000 0.794 624 G HN 0.436 nan 8.290 nan 0.000 0.580 625 K N -0.746 119.487 120.400 -0.279 0.000 2.059 625 K HA -0.236 4.084 4.320 -0.001 0.000 0.212 625 K C 2.127 178.648 176.600 -0.133 0.000 1.050 625 K CA 1.841 57.961 56.287 -0.277 0.000 0.927 625 K CB -0.401 31.779 32.500 -0.532 0.000 0.714 625 K HN 0.443 nan 8.250 nan 0.000 0.447 626 W N 1.550 122.699 121.300 -0.253 0.000 2.260 626 W HA -0.311 4.349 4.660 -0.001 0.000 0.326 626 W C 1.916 178.256 176.519 -0.298 0.000 1.229 626 W CA 1.885 59.106 57.345 -0.206 0.000 1.190 626 W CB -1.185 28.195 29.460 -0.134 0.000 1.177 626 W HN 0.205 nan 8.180 nan 0.000 0.457 627 L N 0.968 121.777 121.223 -0.691 0.000 2.064 627 L HA -0.427 3.912 4.340 -0.001 0.000 0.234 627 L C 2.556 178.963 176.870 -0.772 0.000 1.103 627 L CA 3.603 57.812 54.840 -1.051 0.000 0.824 627 L CB -1.338 40.158 42.059 -0.938 0.000 0.919 627 L HN 0.180 nan 8.230 nan 0.000 0.447 628 M N -0.856 118.508 119.600 -0.394 0.000 2.113 628 M HA -0.271 4.209 4.480 -0.001 0.000 0.255 628 M C 1.940 178.189 176.300 -0.085 0.000 1.073 628 M CA 2.251 57.504 55.300 -0.079 0.000 1.091 628 M CB -1.572 30.985 32.600 -0.072 0.000 1.309 628 M HN 0.436 nan 8.290 nan 0.000 0.407 629 D N -0.903 119.376 120.400 -0.201 0.000 2.289 629 D HA -0.011 4.629 4.640 -0.001 0.000 0.207 629 D C 1.578 177.733 176.300 -0.242 0.000 0.966 629 D CA 0.627 54.537 54.000 -0.150 0.000 0.868 629 D CB -0.166 40.581 40.800 -0.089 0.000 0.943 629 D HN 0.471 nan 8.370 nan 0.000 0.514 630 N N 0.213 118.603 118.700 -0.516 0.000 2.510 630 N HA -0.004 4.736 4.740 -0.001 0.000 0.186 630 N C 1.813 176.792 175.510 -0.885 0.000 1.051 630 N CA -0.085 52.571 53.050 -0.657 0.000 0.877 630 N CB 0.583 38.545 38.487 -0.875 0.000 1.183 630 N HN 0.072 nan 8.380 nan 0.000 0.443 631 L N 1.312 121.832 121.223 -1.171 0.000 1.950 631 L HA 0.010 4.350 4.340 -0.001 0.000 0.210 631 L C 1.748 178.302 176.870 -0.526 0.000 1.079 631 L CA 1.696 55.782 54.840 -1.256 0.000 0.754 631 L CB -1.301 39.997 42.059 -1.269 0.000 0.889 631 L HN -0.098 nan 8.230 nan 0.000 0.433 632 F N 0.316 120.235 119.950 -0.051 0.000 2.135 632 F HA -0.298 4.229 4.527 -0.001 0.000 0.300 632 F C 2.672 178.659 175.800 0.313 0.000 1.074 632 F CA 1.925 60.009 58.000 0.140 0.000 1.262 632 F CB -1.024 37.686 39.000 -0.484 0.000 1.013 632 F HN 0.135 nan 8.300 nan 0.000 0.489 633 R N 0.069 120.690 120.500 0.202 0.000 2.303 633 R HA -0.087 4.253 4.340 -0.001 0.000 0.225 633 R C 1.888 178.291 176.300 0.171 0.000 1.114 633 R CA 0.491 56.706 56.100 0.192 0.000 1.007 633 R CB -0.346 29.984 30.300 0.049 0.000 0.861 633 R HN 0.218 nan 8.270 nan 0.000 0.471 634 V N -0.489 119.501 119.914 0.126 0.000 2.379 634 V HA -0.157 3.963 4.120 -0.001 0.000 0.243 634 V C 1.546 177.722 176.094 0.137 0.000 1.035 634 V CA 1.444 63.770 62.300 0.043 0.000 1.035 634 V CB -0.460 31.277 31.823 -0.145 0.000 0.673 634 V HN 0.162 nan 8.190 nan 0.000 0.457 635 F N 0.491 120.522 119.950 0.134 0.000 2.087 635 F HA -0.241 4.286 4.527 -0.001 0.000 0.299 635 F C 2.193 178.116 175.800 0.205 0.000 1.100 635 F CA 1.867 59.986 58.000 0.198 0.000 1.226 635 F CB -1.164 37.983 39.000 0.244 0.000 0.983 635 F HN 0.064 nan 8.300 nan 0.000 0.479 636 I N -0.232 120.576 120.570 0.396 0.000 2.053 636 I HA -0.362 3.808 4.170 -0.001 0.000 0.236 636 I C 2.464 178.672 176.117 0.153 0.000 1.038 636 I CA 1.612 63.030 61.300 0.196 0.000 1.304 636 I CB -0.530 37.564 38.000 0.156 0.000 1.023 636 I HN -0.027 nan 8.210 nan 0.000 0.395 637 R N 0.181 120.770 120.500 0.148 0.000 2.341 637 R HA -0.130 4.209 4.340 -0.001 0.000 0.213 637 R C 1.723 178.093 176.300 0.118 0.000 1.082 637 R CA 0.876 57.039 56.100 0.106 0.000 1.017 637 R CB -0.697 29.657 30.300 0.090 0.000 0.860 637 R HN 0.415 nan 8.270 nan 0.000 0.473 638 F N -1.156 118.827 119.950 0.056 0.000 2.262 638 F HA 0.004 4.531 4.527 -0.001 0.000 0.292 638 F C 1.549 177.389 175.800 0.067 0.000 1.081 638 F CA 0.661 58.690 58.000 0.049 0.000 1.355 638 F CB 0.012 39.028 39.000 0.027 0.000 1.069 638 F HN -0.201 nan 8.300 nan 0.000 0.506 639 V N 0.613 120.556 119.914 0.049 0.000 2.913 639 V HA -0.212 3.908 4.120 -0.001 0.000 0.260 639 V C 1.669 177.731 176.094 -0.053 0.000 1.098 639 V CA 1.753 64.047 62.300 -0.011 0.000 1.121 639 V CB -0.875 30.975 31.823 0.045 0.000 0.714 639 V HN 0.358 nan 8.190 nan 0.000 0.487 640 E N 0.484 120.651 120.200 -0.055 0.000 2.502 640 E HA 0.014 4.364 4.350 -0.001 0.000 0.194 640 E C 0.960 177.514 176.600 -0.077 0.000 1.062 640 E CA 0.323 56.700 56.400 -0.038 0.000 0.867 640 E CB 0.207 29.902 29.700 -0.009 0.000 0.888 640 E HN 0.669 nan 8.360 nan 0.000 0.510 641 L N -2.604 118.510 121.223 -0.182 0.000 3.358 641 L HA 0.340 4.680 4.340 -0.001 0.000 0.301 641 L C 0.783 177.490 176.870 -0.272 0.000 1.276 641 L CA -0.007 54.721 54.840 -0.187 0.000 1.028 641 L CB 0.661 42.619 42.059 -0.167 0.000 1.421 641 L HN -0.208 nan 8.230 nan 0.000 0.604 642 Q N 0.268 119.918 119.800 -0.250 0.000 2.101 642 Q HA 0.420 4.759 4.340 -0.001 0.000 0.236 642 Q C 1.049 177.072 176.000 0.038 0.000 0.772 642 Q CA 0.691 56.390 55.803 -0.174 0.000 0.944 642 Q CB 1.890 30.422 28.738 -0.345 0.000 1.171 642 Q HN 0.560 nan 8.270 nan 0.000 0.463 643 G N 1.816 110.649 108.800 0.055 0.000 2.866 643 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.274 643 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.274 643 G C -0.094 174.984 174.900 0.297 0.000 1.413 643 G CA -0.107 45.078 45.100 0.142 0.000 0.997 643 G HN 0.345 nan 8.290 nan 0.000 0.559 644 F N -0.416 119.646 119.950 0.187 0.000 2.182 644 F HA 0.260 4.786 4.527 -0.001 0.000 0.325 644 F C 0.526 176.187 175.800 -0.231 0.000 1.295 644 F CA 2.251 60.387 58.000 0.226 0.000 0.940 644 F CB -0.401 38.704 39.000 0.175 0.000 4.103 644 F HN 1.970 nan 8.300 nan 0.000 0.179 645 T N 3.214 117.098 114.554 -1.117 0.000 2.589 645 T HA 0.564 4.913 4.350 -0.001 0.000 0.246 645 T C -1.575 172.506 174.700 -1.031 0.000 1.637 645 T CA -0.019 61.576 62.100 -0.842 0.000 1.007 645 T CB 0.485 68.981 68.868 -0.620 0.000 2.110 645 T HN 1.348 nan 8.240 nan 0.000 0.407 646 M N 2.161 121.308 119.600 -0.755 0.000 2.596 646 M HA 0.400 4.880 4.480 -0.001 0.000 0.152 646 M C -1.113 175.075 176.300 -0.187 0.000 0.955 646 M CA -0.565 54.484 55.300 -0.418 0.000 0.820 646 M CB 0.857 33.337 32.600 -0.201 0.000 3.088 646 M HN 0.423 nan 8.290 nan 0.000 0.358 647 R N 1.793 122.240 120.500 -0.089 0.000 2.734 647 R HA 0.156 4.495 4.340 -0.001 0.000 0.266 647 R C 0.867 177.186 176.300 0.031 0.000 1.044 647 R CA -0.062 56.045 56.100 0.011 0.000 1.128 647 R CB 0.783 31.144 30.300 0.102 0.000 1.010 647 R HN 0.863 nan 8.270 nan 0.000 0.461 648 L N 2.251 123.491 121.223 0.028 0.000 2.131 648 L HA -0.060 4.279 4.340 -0.001 0.000 0.206 648 L C 1.656 178.558 176.870 0.053 0.000 1.087 648 L CA 1.246 56.109 54.840 0.038 0.000 0.767 648 L CB -0.004 42.073 42.059 0.030 0.000 0.917 648 L HN 0.643 nan 8.230 nan 0.000 0.441 649 E N -0.004 120.228 120.200 0.053 0.000 2.333 649 E HA -0.223 4.127 4.350 -0.001 0.000 0.198 649 E C 1.273 177.914 176.600 0.068 0.000 1.007 649 E CA 0.921 57.353 56.400 0.054 0.000 0.845 649 E CB -0.027 29.703 29.700 0.049 0.000 0.766 649 E HN 0.572 nan 8.360 nan 0.000 0.507 650 D N 0.088 120.542 120.400 0.090 0.000 2.218 650 D HA -0.117 4.522 4.640 -0.001 0.000 0.204 650 D C 1.802 178.168 176.300 0.109 0.000 0.976 650 D CA 0.711 54.781 54.000 0.115 0.000 0.853 650 D CB 0.197 41.099 40.800 0.170 0.000 0.939 650 D HN 0.106 nan 8.370 nan 0.000 0.481 651 V N 0.265 120.237 119.914 0.096 0.000 3.379 651 V HA 0.011 4.131 4.120 -0.001 0.000 0.249 651 V C 0.600 176.735 176.094 0.068 0.000 1.184 651 V CA 0.485 62.843 62.300 0.097 0.000 1.106 651 V CB 0.293 32.178 31.823 0.103 0.000 0.826 651 V HN 0.127 nan 8.190 nan 0.000 0.465 652 S N 1.022 116.756 115.700 0.056 0.000 2.572 652 S HA 0.413 4.883 4.470 -0.001 0.000 0.279 652 S C -0.146 174.466 174.600 0.020 0.000 1.341 652 S CA -0.284 57.939 58.200 0.037 0.000 1.043 652 S CB 0.757 63.979 63.200 0.037 0.000 0.887 652 S HN 0.373 nan 8.310 nan 0.000 0.516 653 L N 1.831 123.051 121.223 -0.005 0.000 2.635 653 L HA 0.874 5.214 4.340 -0.001 0.000 0.250 653 L C 1.006 177.857 176.870 -0.033 0.000 1.117 653 L CA -0.463 54.357 54.840 -0.033 0.000 0.834 653 L CB 0.844 42.856 42.059 -0.078 0.000 1.544 653 L HN 0.988 nan 8.230 nan 0.000 0.511 654 G N -1.908 106.855 108.800 -0.061 0.000 2.451 654 G HA2 0.332 4.292 3.960 -0.001 0.000 0.292 654 G HA3 0.332 4.292 3.960 -0.001 0.000 0.292 654 G C -1.444 173.422 174.900 -0.056 0.000 1.427 654 G CA -0.302 44.774 45.100 -0.039 0.000 0.792 654 G HN 0.567 nan 8.290 nan 0.000 0.498 655 D N -0.375 120.012 120.400 -0.021 0.000 3.793 655 D HA -0.242 4.398 4.640 -0.001 0.000 0.154 655 D C 1.147 177.427 176.300 -0.034 0.000 0.841 655 D CA 1.819 55.811 54.000 -0.014 0.000 0.960 655 D CB -0.561 40.236 40.800 -0.004 0.000 0.443 655 D HN 0.554 nan 8.370 nan 0.000 0.401 656 D N 0.595 120.966 120.400 -0.049 0.000 2.219 656 D HA -0.053 4.587 4.640 -0.001 0.000 0.205 656 D C 2.263 178.464 176.300 -0.165 0.000 0.970 656 D CA 1.030 54.989 54.000 -0.068 0.000 0.851 656 D CB -0.129 40.649 40.800 -0.037 0.000 0.943 656 D HN 0.212 nan 8.370 nan 0.000 0.488 657 V N 1.605 121.348 119.914 -0.285 0.000 2.332 657 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 657 V C 2.280 178.205 176.094 -0.282 0.000 1.055 657 V CA 1.501 63.521 62.300 -0.468 0.000 1.038 657 V CB -0.613 30.879 31.823 -0.551 0.000 0.651 657 V HN 0.134 nan 8.190 nan 0.000 0.450 658 K N 0.009 120.291 120.400 -0.196 0.000 2.442 658 K HA -0.138 4.182 4.320 -0.001 0.000 0.198 658 K C 2.088 178.622 176.600 -0.110 0.000 1.044 658 K CA 0.990 57.155 56.287 -0.202 0.000 0.948 658 K CB -0.111 32.329 32.500 -0.100 0.000 0.762 658 K HN 0.528 nan 8.250 nan 0.000 0.472 659 K N 0.669 121.042 120.400 -0.045 0.000 2.099 659 K HA -0.037 4.283 4.320 -0.001 0.000 0.203 659 K C 1.727 178.324 176.600 -0.005 0.000 1.047 659 K CA 0.718 57.025 56.287 0.033 0.000 0.963 659 K CB 0.123 32.631 32.500 0.013 0.000 0.759 659 K HN 0.113 nan 8.250 nan 0.000 0.451 660 E N 0.763 120.920 120.200 -0.071 0.000 2.267 660 E HA -0.151 4.198 4.350 -0.001 0.000 0.197 660 E C 1.776 178.343 176.600 -0.055 0.000 0.998 660 E CA 0.716 57.081 56.400 -0.058 0.000 0.830 660 E CB 0.089 29.740 29.700 -0.082 0.000 0.751 660 E HN 0.236 nan 8.360 nan 0.000 0.491 661 I N -0.411 120.101 120.570 -0.097 0.000 2.385 661 I HA -0.181 3.989 4.170 -0.001 0.000 0.244 661 I C 1.897 177.979 176.117 -0.058 0.000 1.089 661 I CA 1.115 62.348 61.300 -0.112 0.000 1.410 661 I CB -1.066 36.804 38.000 -0.216 0.000 1.117 661 I HN 0.161 nan 8.210 nan 0.000 0.429 662 Y N 0.896 121.138 120.300 -0.097 0.000 2.651 662 Y HA -0.196 4.353 4.550 -0.001 0.000 0.296 662 Y C 1.963 177.799 175.900 -0.106 0.000 1.150 662 Y CA 0.442 58.473 58.100 -0.115 0.000 1.348 662 Y CB -0.073 38.333 38.460 -0.090 0.000 0.983 662 Y HN 0.293 nan 8.280 nan 0.000 0.555 663 N N -0.499 118.240 118.700 0.065 0.000 2.197 663 N HA -0.048 4.692 4.740 -0.001 0.000 0.201 663 N C 1.254 176.761 175.510 -0.005 0.000 1.148 663 N CA 0.200 53.260 53.050 0.017 0.000 0.883 663 N CB 0.332 38.826 38.487 0.012 0.000 1.012 663 N HN 0.154 nan 8.380 nan 0.000 0.507 664 E N 0.070 120.263 120.200 -0.012 0.000 2.340 664 E HA 0.119 4.469 4.350 -0.001 0.000 0.198 664 E C 1.689 178.270 176.600 -0.030 0.000 0.961 664 E CA 0.527 56.918 56.400 -0.015 0.000 0.905 664 E CB -0.087 29.608 29.700 -0.009 0.000 0.884 664 E HN 0.493 nan 8.360 nan 0.000 0.491 665 I N -0.235 120.289 120.570 -0.076 0.000 2.286 665 I HA -0.058 4.111 4.170 -0.001 0.000 0.245 665 I C 1.466 177.492 176.117 -0.152 0.000 1.104 665 I CA 1.520 62.721 61.300 -0.165 0.000 1.397 665 I CB -0.686 37.056 38.000 -0.429 0.000 1.072 665 I HN -0.057 nan 8.210 nan 0.000 0.417 666 D N 1.444 121.769 120.400 -0.124 0.000 2.219 666 D HA -0.266 4.374 4.640 -0.001 0.000 0.205 666 D C 2.230 178.499 176.300 -0.052 0.000 0.970 666 D CA 1.162 55.107 54.000 -0.092 0.000 0.851 666 D CB -0.627 40.126 40.800 -0.077 0.000 0.943 666 D HN 0.486 nan 8.370 nan 0.000 0.488 667 R N 0.354 120.832 120.500 -0.037 0.000 2.200 667 R HA 0.166 4.506 4.340 -0.001 0.000 0.208 667 R C 1.871 178.167 176.300 -0.008 0.000 1.033 667 R CA 0.866 56.956 56.100 -0.017 0.000 1.000 667 R CB -0.013 30.282 30.300 -0.009 0.000 0.906 667 R HN 0.216 nan 8.270 nan 0.000 0.462 668 A N 1.484 124.297 122.820 -0.011 0.000 1.850 668 A HA -0.038 4.282 4.320 -0.001 0.000 0.212 668 A C 1.876 179.465 177.584 0.009 0.000 1.208 668 A CA 0.912 52.958 52.037 0.014 0.000 0.609 668 A CB -0.255 18.766 19.000 0.035 0.000 0.860 668 A HN 0.245 nan 8.150 nan 0.000 0.448 669 K N 0.156 120.544 120.400 -0.019 0.000 2.052 669 K HA -0.244 4.075 4.320 -0.001 0.000 0.215 669 K C 1.963 178.561 176.600 -0.003 0.000 1.053 669 K CA 2.250 58.527 56.287 -0.016 0.000 0.934 669 K CB -0.998 31.479 32.500 -0.039 0.000 0.717 669 K HN 0.551 nan 8.250 nan 0.000 0.450 670 V N -0.089 119.821 119.914 -0.007 0.000 2.317 670 V HA -0.327 3.793 4.120 -0.001 0.000 0.251 670 V C 2.035 178.137 176.094 0.012 0.000 1.065 670 V CA 2.460 64.760 62.300 0.001 0.000 1.049 670 V CB -0.779 31.042 31.823 -0.003 0.000 0.651 670 V HN 0.376 nan 8.190 nan 0.000 0.450 671 E N -0.316 119.894 120.200 0.016 0.000 2.401 671 E HA -0.106 4.243 4.350 -0.001 0.000 0.199 671 E C 1.676 178.298 176.600 0.037 0.000 1.023 671 E CA 1.280 57.695 56.400 0.025 0.000 0.859 671 E CB 0.108 29.824 29.700 0.028 0.000 0.780 671 E HN 0.649 nan 8.360 nan 0.000 0.523 672 V N -0.137 119.798 119.914 0.035 0.000 2.721 672 V HA -0.083 4.036 4.120 -0.001 0.000 0.236 672 V C 1.364 177.482 176.094 0.039 0.000 1.116 672 V CA 0.971 63.297 62.300 0.043 0.000 1.148 672 V CB -0.314 31.531 31.823 0.037 0.000 0.886 672 V HN 0.144 nan 8.190 nan 0.000 0.490 673 D N 1.621 122.037 120.400 0.025 0.000 2.248 673 D HA -0.289 4.351 4.640 -0.001 0.000 0.191 673 D C 1.774 178.097 176.300 0.038 0.000 1.013 673 D CA 2.362 56.377 54.000 0.025 0.000 0.883 673 D CB -0.288 40.521 40.800 0.014 0.000 0.915 673 D HN 0.754 nan 8.370 nan 0.000 0.448 674 N N 0.038 118.760 118.700 0.038 0.000 2.173 674 N HA -0.081 4.659 4.740 -0.001 0.000 0.184 674 N C 1.850 177.400 175.510 0.067 0.000 1.025 674 N CA 0.520 53.597 53.050 0.045 0.000 0.852 674 N CB -0.824 37.683 38.487 0.034 0.000 0.998 674 N HN 0.197 nan 8.380 nan 0.000 0.427 675 L N -0.566 120.701 121.223 0.072 0.000 2.137 675 L HA -0.168 4.171 4.340 -0.001 0.000 0.213 675 L C 1.552 178.501 176.870 0.132 0.000 1.085 675 L CA 1.004 55.907 54.840 0.105 0.000 0.760 675 L CB -0.233 41.893 42.059 0.111 0.000 0.893 675 L HN 0.257 nan 8.230 nan 0.000 0.434 676 I N -1.065 119.570 120.570 0.109 0.000 2.406 676 I HA -0.230 3.939 4.170 -0.001 0.000 0.249 676 I C 2.448 178.667 176.117 0.169 0.000 1.122 676 I CA 1.112 62.494 61.300 0.138 0.000 1.431 676 I CB -0.351 37.708 38.000 0.098 0.000 1.087 676 I HN 0.215 nan 8.210 nan 0.000 0.424 677 Q N 0.285 120.152 119.800 0.111 0.000 2.124 677 Q HA -0.225 4.115 4.340 -0.001 0.000 0.202 677 Q C 2.134 178.190 176.000 0.092 0.000 0.977 677 Q CA 1.323 57.177 55.803 0.086 0.000 0.850 677 Q CB -0.167 28.605 28.738 0.056 0.000 0.901 677 Q HN 0.446 nan 8.270 nan 0.000 0.429 678 K N -0.310 120.157 120.400 0.112 0.000 2.147 678 K HA -0.200 4.120 4.320 -0.001 0.000 0.205 678 K C 1.893 178.579 176.600 0.144 0.000 1.049 678 K CA 1.192 57.545 56.287 0.111 0.000 0.936 678 K CB -0.141 32.434 32.500 0.125 0.000 0.722 678 K HN 0.224 nan 8.250 nan 0.000 0.446 679 Y N 1.993 122.325 120.300 0.052 0.000 2.153 679 Y HA -0.142 4.408 4.550 -0.001 0.000 0.289 679 Y C 1.950 177.866 175.900 0.027 0.000 1.119 679 Y CA 1.426 59.551 58.100 0.042 0.000 1.116 679 Y CB -0.006 38.477 38.460 0.039 0.000 1.004 679 Y HN -0.154 nan 8.280 nan 0.000 0.501 680 K N 0.023 120.459 120.400 0.059 0.000 2.044 680 K HA -0.194 4.126 4.320 -0.001 0.000 0.210 680 K C 0.609 177.159 176.600 -0.084 0.000 1.049 680 K CA 1.481 57.742 56.287 -0.042 0.000 0.927 680 K CB -0.352 32.175 32.500 0.044 0.000 0.713 680 K HN 0.281 nan 8.250 nan 0.000 0.443 681 N N 1.392 120.073 118.700 -0.031 0.000 3.259 681 N HA 0.025 4.765 4.740 -0.001 0.000 0.308 681 N C -0.284 175.200 175.510 -0.042 0.000 1.334 681 N CA 0.145 53.176 53.050 -0.031 0.000 1.202 681 N CB 0.378 38.864 38.487 -0.003 0.000 1.485 681 N HN 0.258 nan 8.380 nan 0.000 0.549 682 G N 1.251 109.994 108.800 -0.096 0.000 2.044 682 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.247 682 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.247 682 G C 0.761 175.641 174.900 -0.034 0.000 0.755 682 G CA 0.828 45.871 45.100 -0.095 0.000 1.021 682 G HN 0.555 nan 8.290 nan 0.000 0.384 683 E N -0.496 119.705 120.200 0.001 0.000 2.538 683 E HA 0.190 4.539 4.350 -0.001 0.000 0.188 683 E C 1.362 177.998 176.600 0.061 0.000 1.014 683 E CA -0.803 55.614 56.400 0.028 0.000 1.140 683 E CB 0.100 29.818 29.700 0.031 0.000 1.262 683 E HN 0.342 nan 8.360 nan 0.000 0.488 684 L N 2.744 124.029 121.223 0.103 0.000 2.749 684 L HA -0.154 4.186 4.340 -0.001 0.000 0.313 684 L C 0.268 177.234 176.870 0.160 0.000 1.251 684 L CA 0.710 55.644 54.840 0.157 0.000 0.867 684 L CB 0.253 42.467 42.059 0.257 0.000 1.122 684 L HN 0.242 nan 8.230 nan 0.000 0.513 685 E N 5.124 125.424 120.200 0.166 0.000 2.227 685 E HA 0.452 4.801 4.350 -0.001 0.000 0.268 685 E C -2.068 174.669 176.600 0.228 0.000 0.990 685 E CA -1.497 54.992 56.400 0.149 0.000 0.856 685 E CB 1.446 31.204 29.700 0.097 0.000 1.159 685 E HN 0.451 nan 8.360 nan 0.000 0.401 686 P HA 0.426 nan 4.420 nan 0.000 0.344 686 P C -0.387 177.021 177.300 0.180 0.000 1.321 686 P CA -0.307 62.886 63.100 0.155 0.000 0.773 686 P CB 0.790 32.539 31.700 0.082 0.000 1.723 687 I N -3.435 117.204 120.570 0.114 0.000 2.610 687 I HA 0.316 4.486 4.170 -0.001 0.000 0.289 687 I C -2.742 173.408 176.117 0.056 0.000 1.163 687 I CA -2.914 58.447 61.300 0.102 0.000 1.044 687 I CB 1.471 39.547 38.000 0.127 0.000 1.251 687 I HN 0.010 nan 8.210 nan 0.000 0.424 688 P HA -0.108 nan 4.420 nan 0.000 0.252 688 P C 1.068 178.382 177.300 0.023 0.000 1.126 688 P CA 1.923 65.042 63.100 0.032 0.000 0.777 688 P CB 0.114 31.831 31.700 0.028 0.000 0.711 689 G N 3.124 111.936 108.800 0.019 0.000 2.900 689 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.223 689 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.223 689 G C 0.116 175.019 174.900 0.006 0.000 1.293 689 G CA -0.483 44.624 45.100 0.012 0.000 0.792 689 G HN 0.540 nan 8.290 nan 0.000 0.527 690 R N 2.837 123.338 120.500 0.002 0.000 2.296 690 R HA 0.474 4.814 4.340 -0.001 0.000 0.323 690 R C 0.672 176.958 176.300 -0.024 0.000 1.067 690 R CA 0.153 56.244 56.100 -0.015 0.000 0.946 690 R CB -0.402 29.884 30.300 -0.024 0.000 0.991 690 R HN 0.460 nan 8.270 nan 0.000 0.448 691 T N 3.789 118.330 114.554 -0.023 0.000 2.848 691 T HA -0.085 4.265 4.350 -0.001 0.000 0.340 691 T C 1.905 176.580 174.700 -0.042 0.000 1.091 691 T CA -0.124 61.968 62.100 -0.014 0.000 1.123 691 T CB 0.319 69.183 68.868 -0.007 0.000 1.042 691 T HN 0.335 nan 8.240 nan 0.000 0.544 692 L N 1.681 122.909 121.223 0.009 0.000 1.970 692 L HA -0.095 4.245 4.340 -0.001 0.000 0.212 692 L C 2.468 179.266 176.870 -0.120 0.000 1.071 692 L CA 1.708 56.558 54.840 0.015 0.000 0.751 692 L CB -1.365 40.821 42.059 0.212 0.000 0.889 692 L HN 0.694 nan 8.230 nan 0.000 0.432 693 E N 0.213 120.372 120.200 -0.069 0.000 2.136 693 E HA -0.295 4.054 4.350 -0.001 0.000 0.202 693 E C 2.102 178.562 176.600 -0.233 0.000 1.019 693 E CA 1.859 58.125 56.400 -0.223 0.000 0.819 693 E CB -0.330 29.335 29.700 -0.058 0.000 0.739 693 E HN 0.622 nan 8.360 nan 0.000 0.458 694 E N 0.441 120.544 120.200 -0.161 0.000 2.001 694 E HA -0.178 4.171 4.350 -0.001 0.000 0.195 694 E C 2.395 178.844 176.600 -0.252 0.000 1.002 694 E CA 1.526 57.833 56.400 -0.156 0.000 0.819 694 E CB -0.148 29.491 29.700 -0.101 0.000 0.769 694 E HN 0.236 nan 8.360 nan 0.000 0.454 695 S N 2.128 117.633 115.700 -0.325 0.000 2.380 695 S HA -0.213 4.257 4.470 -0.001 0.000 0.229 695 S C 2.072 176.024 174.600 -1.080 0.000 1.043 695 S CA 1.055 58.877 58.200 -0.631 0.000 1.038 695 S CB -0.632 62.195 63.200 -0.623 0.000 0.872 695 S HN 0.230 nan 8.310 nan 0.000 0.456 696 L N 1.787 122.537 121.223 -0.789 0.000 2.043 696 L HA -0.154 4.186 4.340 -0.001 0.000 0.212 696 L C 2.529 179.204 176.870 -0.326 0.000 1.075 696 L CA 2.155 56.655 54.840 -0.567 0.000 0.752 696 L CB -1.107 40.630 42.059 -0.536 0.000 0.891 696 L HN 0.361 nan 8.230 nan 0.000 0.432 697 E N 0.182 120.209 120.200 -0.288 0.000 2.015 697 E HA -0.196 4.154 4.350 -0.001 0.000 0.191 697 E C 1.838 178.384 176.600 -0.090 0.000 0.991 697 E CA 1.267 57.576 56.400 -0.152 0.000 0.802 697 E CB -0.266 29.353 29.700 -0.135 0.000 0.759 697 E HN 0.582 nan 8.360 nan 0.000 0.447 698 N N 0.792 119.417 118.700 -0.125 0.000 2.027 698 N HA -0.231 4.508 4.740 -0.001 0.000 0.200 698 N C 1.901 177.485 175.510 0.125 0.000 1.042 698 N CA 1.718 54.758 53.050 -0.018 0.000 0.871 698 N CB -1.045 37.424 38.487 -0.029 0.000 1.063 698 N HN 0.380 nan 8.380 nan 0.000 0.438 699 Y N 0.405 120.697 120.300 -0.013 0.000 2.096 699 Y HA -0.249 4.300 4.550 -0.001 0.000 0.278 699 Y C 2.185 178.088 175.900 0.005 0.000 1.192 699 Y CA 0.290 58.389 58.100 -0.002 0.000 1.143 699 Y CB -0.267 38.193 38.460 -0.001 0.000 0.963 699 Y HN 0.093 nan 8.280 nan 0.000 0.505 700 I N -0.025 120.641 120.570 0.160 0.000 2.252 700 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 700 I C 2.356 178.528 176.117 0.090 0.000 1.102 700 I CA 1.265 62.624 61.300 0.099 0.000 1.385 700 I CB -1.267 36.762 38.000 0.048 0.000 1.064 700 I HN 0.317 nan 8.210 nan 0.000 0.414 701 L N 0.601 121.861 121.223 0.061 0.000 1.933 701 L HA -0.298 4.042 4.340 -0.001 0.000 0.220 701 L C 2.291 179.193 176.870 0.054 0.000 1.078 701 L CA 1.920 56.784 54.840 0.039 0.000 0.773 701 L CB -0.837 41.229 42.059 0.011 0.000 0.890 701 L HN 0.176 nan 8.230 nan 0.000 0.434 702 D N -0.503 119.934 120.400 0.062 0.000 2.321 702 D HA -0.252 4.387 4.640 -0.001 0.000 0.194 702 D C 1.966 178.304 176.300 0.063 0.000 1.013 702 D CA 2.293 56.327 54.000 0.056 0.000 0.863 702 D CB -0.716 40.126 40.800 0.069 0.000 1.011 702 D HN 0.280 nan 8.370 nan 0.000 0.457 703 T N 0.616 115.217 114.554 0.078 0.000 2.635 703 T HA -0.251 4.099 4.350 -0.001 0.000 0.265 703 T C 2.056 176.824 174.700 0.114 0.000 1.058 703 T CA 1.435 63.585 62.100 0.083 0.000 1.162 703 T CB -0.608 68.314 68.868 0.089 0.000 0.859 703 T HN 0.124 nan 8.240 nan 0.000 0.449 704 L N 0.539 121.852 121.223 0.151 0.000 1.988 704 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 704 L C 2.712 179.645 176.870 0.105 0.000 1.071 704 L CA 1.440 56.429 54.840 0.249 0.000 0.744 704 L CB -0.734 41.533 42.059 0.346 0.000 0.893 704 L HN 0.200 nan 8.230 nan 0.000 0.433 705 D N 0.662 121.074 120.400 0.020 0.000 2.191 705 D HA -0.245 4.395 4.640 -0.001 0.000 0.190 705 D C 2.087 178.385 176.300 -0.003 0.000 1.007 705 D CA 1.777 55.760 54.000 -0.028 0.000 0.865 705 D CB -0.013 40.776 40.800 -0.018 0.000 0.929 705 D HN 0.360 nan 8.370 nan 0.000 0.447 706 K N -0.204 120.212 120.400 0.026 0.000 2.305 706 K HA 0.071 4.390 4.320 -0.001 0.000 0.199 706 K C 1.941 178.569 176.600 0.047 0.000 1.047 706 K CA 0.175 56.479 56.287 0.029 0.000 0.976 706 K CB 0.268 32.785 32.500 0.029 0.000 0.765 706 K HN 0.174 nan 8.250 nan 0.000 0.474 707 L N 0.918 122.188 121.223 0.079 0.000 2.592 707 L HA 0.094 4.434 4.340 -0.001 0.000 0.227 707 L C 2.066 179.017 176.870 0.135 0.000 1.127 707 L CA 0.135 55.038 54.840 0.104 0.000 0.884 707 L CB -0.045 42.090 42.059 0.127 0.000 1.065 707 L HN 0.167 nan 8.230 nan 0.000 0.457 708 R N -0.742 119.819 120.500 0.100 0.000 2.167 708 R HA 0.026 4.365 4.340 -0.001 0.000 0.201 708 R C 2.279 178.593 176.300 0.023 0.000 1.024 708 R CA 0.993 57.137 56.100 0.073 0.000 1.053 708 R CB -0.613 29.640 30.300 -0.078 0.000 0.987 708 R HN 0.143 nan 8.270 nan 0.000 0.493 709 S N 0.273 115.978 115.700 0.010 0.000 2.428 709 S HA -0.065 4.405 4.470 -0.001 0.000 0.230 709 S C 1.630 176.246 174.600 0.026 0.000 1.014 709 S CA 1.247 59.453 58.200 0.010 0.000 0.957 709 S CB -0.523 62.679 63.200 0.005 0.000 0.784 709 S HN 0.343 nan 8.310 nan 0.000 0.499 710 T N 2.016 116.590 114.554 0.033 0.000 3.051 710 T HA 0.238 4.588 4.350 -0.001 0.000 0.269 710 T C 1.912 176.631 174.700 0.032 0.000 1.127 710 T CA 0.957 63.079 62.100 0.035 0.000 1.107 710 T CB -0.425 68.465 68.868 0.037 0.000 0.898 710 T HN 0.638 nan 8.240 nan 0.000 0.517 711 A N 1.237 124.074 122.820 0.029 0.000 1.903 711 A HA 0.345 4.664 4.320 -0.001 0.000 0.213 711 A C 2.606 180.200 177.584 0.017 0.000 1.185 711 A CA 1.214 53.258 52.037 0.012 0.000 0.628 711 A CB -1.137 17.870 19.000 0.012 0.000 0.830 711 A HN 0.463 nan 8.150 nan 0.000 0.446 712 G N 0.165 108.982 108.800 0.028 0.000 2.440 712 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 712 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 712 G C 0.952 175.893 174.900 0.069 0.000 1.154 712 G CA 1.180 46.309 45.100 0.048 0.000 0.767 712 G HN 0.439 nan 8.290 nan 0.000 0.552 713 D N 0.229 120.666 120.400 0.061 0.000 2.403 713 D HA -0.025 4.615 4.640 -0.001 0.000 0.227 713 D C 2.183 178.535 176.300 0.088 0.000 0.995 713 D CA 0.340 54.383 54.000 0.072 0.000 0.928 713 D CB 0.203 41.037 40.800 0.057 0.000 0.887 713 D HN 0.358 nan 8.370 nan 0.000 0.529 714 I N 0.028 120.645 120.570 0.078 0.000 2.900 714 I HA 0.006 4.176 4.170 -0.001 0.000 0.251 714 I C 2.417 178.613 176.117 0.130 0.000 1.102 714 I CA 0.342 61.703 61.300 0.102 0.000 1.457 714 I CB -0.836 37.168 38.000 0.007 0.000 1.285 714 I HN -0.131 nan 8.210 nan 0.000 0.459 715 A N 1.964 124.816 122.820 0.053 0.000 1.859 715 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 715 A C 2.385 179.989 177.584 0.032 0.000 1.198 715 A CA 2.802 54.862 52.037 0.039 0.000 0.629 715 A CB -1.167 17.850 19.000 0.028 0.000 0.830 715 A HN 0.562 nan 8.150 nan 0.000 0.446 716 S N -0.591 115.145 115.700 0.060 0.000 2.571 716 S HA -0.108 4.362 4.470 -0.001 0.000 0.245 716 S C 1.265 175.792 174.600 -0.121 0.000 0.976 716 S CA 1.580 59.774 58.200 -0.010 0.000 0.954 716 S CB -0.286 63.093 63.200 0.299 0.000 0.756 716 S HN 0.636 nan 8.310 nan 0.000 0.535 717 K N -0.890 119.523 120.400 0.022 0.000 2.358 717 K HA 0.260 4.580 4.320 -0.001 0.000 0.200 717 K C -0.074 176.444 176.600 -0.138 0.000 1.030 717 K CA 0.085 56.358 56.287 -0.024 0.000 1.097 717 K CB 0.368 32.883 32.500 0.025 0.000 0.862 717 K HN 0.435 nan 8.250 nan 0.000 0.534 718 Y N -0.608 119.617 120.300 -0.126 0.000 2.499 718 Y HA 0.222 4.772 4.550 -0.001 0.000 0.253 718 Y C -0.107 175.716 175.900 -0.127 0.000 1.105 718 Y CA -0.741 57.302 58.100 -0.094 0.000 1.240 718 Y CB 0.787 39.210 38.460 -0.061 0.000 1.289 718 Y HN -0.130 nan 8.280 nan 0.000 0.534 719 L N 3.473 124.640 121.223 -0.094 0.000 2.328 719 L HA 0.216 4.555 4.340 -0.001 0.000 0.280 719 L C -0.339 176.343 176.870 -0.313 0.000 1.111 719 L CA -0.937 53.778 54.840 -0.208 0.000 0.909 719 L CB -0.489 41.370 42.059 -0.333 0.000 1.277 719 L HN 0.137 nan 8.230 nan 0.000 0.433 720 D N 4.704 125.044 120.400 -0.099 0.000 2.793 720 D HA -0.126 4.513 4.640 -0.001 0.000 0.230 720 D C -1.952 174.403 176.300 0.091 0.000 1.139 720 D CA -1.161 52.843 54.000 0.008 0.000 0.838 720 D CB 0.271 41.116 40.800 0.075 0.000 1.149 720 D HN 0.311 nan 8.370 nan 0.000 0.526 721 P HA -0.092 nan 4.420 nan 0.000 0.231 721 P C 0.108 177.481 177.300 0.122 0.000 1.154 721 P CA 0.773 64.080 63.100 0.345 0.000 0.762 721 P CB -0.128 31.716 31.700 0.241 0.000 0.790 722 F N -1.623 118.383 119.950 0.094 0.000 2.654 722 F HA 0.149 4.675 4.527 -0.001 0.000 0.303 722 F C 1.105 176.848 175.800 -0.094 0.000 1.099 722 F CA -0.710 57.296 58.000 0.009 0.000 1.270 722 F CB -0.295 38.691 39.000 -0.024 0.000 1.024 722 F HN -0.094 nan 8.300 nan 0.000 0.548 723 N N 0.006 118.769 118.700 0.105 0.000 2.434 723 N HA 0.057 4.797 4.740 -0.001 0.000 0.272 723 N C 0.963 176.487 175.510 0.023 0.000 1.040 723 N CA -0.322 52.738 53.050 0.016 0.000 0.956 723 N CB 0.739 39.290 38.487 0.107 0.000 1.108 723 N HN -0.006 nan 8.380 nan 0.000 0.481 724 F N 2.775 122.707 119.950 -0.029 0.000 2.240 724 F HA -0.418 4.108 4.527 -0.000 0.000 0.294 724 F C 2.668 178.466 175.800 -0.003 0.000 1.180 724 F CA 2.519 60.430 58.000 -0.148 0.000 1.295 724 F CB -0.996 37.830 39.000 -0.291 0.000 0.906 724 F HN 0.712 nan 8.300 nan 0.000 0.553 725 A N -1.720 121.256 122.820 0.260 0.000 2.009 725 A HA -0.321 3.999 4.320 -0.001 0.000 0.222 725 A C 1.903 179.598 177.584 0.186 0.000 1.175 725 A CA 2.150 54.306 52.037 0.197 0.000 0.651 725 A CB -1.444 17.664 19.000 0.179 0.000 0.815 725 A HN 0.666 nan 8.150 nan 0.000 0.459 726 Y N -1.360 118.997 120.300 0.096 0.000 2.466 726 Y HA 0.250 4.799 4.550 -0.001 0.000 0.272 726 Y C 1.795 177.736 175.900 0.068 0.000 1.169 726 Y CA 0.463 58.607 58.100 0.072 0.000 1.285 726 Y CB 0.402 38.898 38.460 0.059 0.000 1.078 726 Y HN 0.098 nan 8.280 nan 0.000 0.523 727 V N -0.834 119.150 119.914 0.118 0.000 2.695 727 V HA -0.197 3.923 4.120 -0.001 0.000 0.230 727 V C 2.049 178.263 176.094 0.198 0.000 1.110 727 V CA 1.285 63.678 62.300 0.156 0.000 1.159 727 V CB -0.299 31.634 31.823 0.182 0.000 0.875 727 V HN 0.273 nan 8.190 nan 0.000 0.502 728 M N 0.481 120.255 119.600 0.289 0.000 2.128 728 M HA -0.216 4.263 4.480 -0.001 0.000 0.253 728 M C 1.035 177.407 176.300 0.121 0.000 1.079 728 M CA 1.953 57.420 55.300 0.277 0.000 1.082 728 M CB -0.460 32.314 32.600 0.291 0.000 1.335 728 M HN 0.415 nan 8.290 nan 0.000 0.401 729 A N 0.539 123.381 122.820 0.036 0.000 2.331 729 A HA 0.438 4.758 4.320 -0.001 0.000 0.283 729 A C 0.146 177.648 177.584 -0.136 0.000 1.142 729 A CA -0.392 51.607 52.037 -0.064 0.000 0.812 729 A CB 0.270 19.196 19.000 -0.123 0.000 1.074 729 A HN 0.560 nan 8.150 nan 0.000 0.497 730 R N 0.715 121.145 120.500 -0.117 0.000 3.144 730 R HA -0.139 4.200 4.340 -0.001 0.000 0.255 730 R C 0.144 176.378 176.300 -0.110 0.000 0.949 730 R CA 0.927 56.950 56.100 -0.128 0.000 0.649 730 R CB -2.183 27.998 30.300 -0.199 0.000 1.229 730 R HN 1.030 nan 8.270 nan 0.000 0.440 731 T N -3.375 111.123 114.554 -0.093 0.000 4.643 731 T HA 0.206 4.556 4.350 -0.001 0.000 0.307 731 T C 0.905 175.552 174.700 -0.087 0.000 0.936 731 T CA 1.079 63.084 62.100 -0.158 0.000 0.626 731 T CB 0.061 68.868 68.868 -0.103 0.000 0.965 731 T HN 0.995 nan 8.240 nan 0.000 0.670 732 G N 1.686 110.458 108.800 -0.046 0.000 4.677 732 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.215 732 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.215 732 G C 1.458 176.361 174.900 0.005 0.000 1.506 732 G CA 1.195 46.279 45.100 -0.027 0.000 1.016 732 G HN 1.604 nan 8.290 nan 0.000 0.653 733 A N 0.452 123.291 122.820 0.032 0.000 2.629 733 A HA -0.020 4.300 4.320 -0.001 0.000 0.270 733 A C 1.202 178.815 177.584 0.048 0.000 1.973 733 A CA 4.116 56.189 52.037 0.060 0.000 1.049 733 A CB -0.795 18.285 19.000 0.133 0.000 0.463 733 A HN 2.209 nan 8.150 nan 0.000 0.398 734 R N -1.799 118.743 120.500 0.070 0.000 2.643 734 R HA 0.545 4.884 4.340 -0.001 0.000 0.269 734 R C -0.393 175.940 176.300 0.056 0.000 1.037 734 R CA 1.059 57.192 56.100 0.055 0.000 0.894 734 R CB 1.387 31.726 30.300 0.065 0.000 1.238 734 R HN 2.588 nan 8.270 nan 0.000 0.459 735 G N 0.548 109.370 108.800 0.037 0.000 2.576 735 G HA2 0.236 4.195 3.960 -0.001 0.000 0.686 735 G HA3 0.236 4.195 3.960 -0.001 0.000 0.686 735 G C -1.524 173.379 174.900 0.005 0.000 1.242 735 G CA -0.266 44.853 45.100 0.031 0.000 0.819 735 G HN 0.721 nan 8.290 nan 0.000 0.655 736 S N -0.723 114.980 115.700 0.006 0.000 2.547 736 S HA 0.645 5.114 4.470 -0.001 0.000 0.281 736 S C 1.537 176.133 174.600 -0.006 0.000 1.118 736 S CA 0.494 58.689 58.200 -0.008 0.000 0.947 736 S CB 1.638 64.840 63.200 0.003 0.000 1.053 736 S HN 2.106 nan 8.310 nan 0.000 0.482 737 V N 3.935 123.833 119.914 -0.026 0.000 2.332 737 V HA -0.106 4.013 4.120 -0.001 0.000 0.248 737 V C 2.102 178.211 176.094 0.025 0.000 1.055 737 V CA 1.322 63.621 62.300 -0.001 0.000 1.038 737 V CB -1.172 30.650 31.823 -0.000 0.000 0.651 737 V HN 0.816 nan 8.190 nan 0.000 0.450 738 L N 2.677 123.907 121.223 0.012 0.000 2.197 738 L HA -0.176 4.163 4.340 -0.001 0.000 0.215 738 L C 2.333 179.214 176.870 0.019 0.000 1.095 738 L CA 2.676 57.522 54.840 0.010 0.000 0.764 738 L CB -1.651 40.409 42.059 0.003 0.000 0.897 738 L HN 0.883 nan 8.230 nan 0.000 0.436 739 N N -1.927 116.795 118.700 0.037 0.000 2.181 739 N HA -0.043 4.697 4.740 -0.001 0.000 0.207 739 N C 1.416 176.975 175.510 0.082 0.000 1.182 739 N CA -0.140 52.949 53.050 0.064 0.000 0.893 739 N CB 0.327 38.867 38.487 0.088 0.000 1.032 739 N HN 0.119 nan 8.380 nan 0.000 0.513 740 I N 1.788 122.403 120.570 0.076 0.000 2.546 740 I HA -0.078 4.091 4.170 -0.001 0.000 0.255 740 I C 1.736 177.920 176.117 0.112 0.000 1.163 740 I CA 0.874 62.242 61.300 0.112 0.000 1.457 740 I CB -1.010 37.066 38.000 0.127 0.000 1.092 740 I HN 0.120 nan 8.210 nan 0.000 0.434 741 T N 0.311 114.910 114.554 0.075 0.000 2.612 741 T HA -0.146 4.204 4.350 -0.001 0.000 0.251 741 T C 1.778 176.474 174.700 -0.007 0.000 1.090 741 T CA 0.894 63.018 62.100 0.039 0.000 1.198 741 T CB -0.258 68.622 68.868 0.020 0.000 0.878 741 T HN 0.265 nan 8.240 nan 0.000 0.401 742 Q N 0.177 119.950 119.800 -0.044 0.000 2.231 742 Q HA -0.278 4.062 4.340 -0.001 0.000 0.217 742 Q C 2.297 178.194 176.000 -0.171 0.000 1.013 742 Q CA 1.932 57.639 55.803 -0.159 0.000 0.917 742 Q CB -0.392 28.278 28.738 -0.114 0.000 0.968 742 Q HN 0.524 nan 8.270 nan 0.000 0.414 743 M N -0.904 118.715 119.600 0.031 0.000 2.101 743 M HA -0.164 4.316 4.480 -0.001 0.000 0.259 743 M C 2.367 178.701 176.300 0.055 0.000 1.083 743 M CA 1.621 56.995 55.300 0.123 0.000 1.114 743 M CB -0.363 32.339 32.600 0.170 0.000 1.281 743 M HN 0.293 nan 8.290 nan 0.000 0.422 744 A N -0.065 122.787 122.820 0.054 0.000 1.877 744 A HA 0.129 4.449 4.320 -0.001 0.000 0.216 744 A C 1.012 178.584 177.584 -0.019 0.000 1.186 744 A CA 1.692 53.748 52.037 0.031 0.000 0.620 744 A CB -0.595 18.435 19.000 0.050 0.000 0.822 744 A HN 0.543 nan 8.150 nan 0.000 0.443 745 A N -0.608 122.191 122.820 -0.036 0.000 2.411 745 A HA 0.596 4.916 4.320 -0.001 0.000 0.285 745 A C 0.001 177.543 177.584 -0.070 0.000 1.129 745 A CA -0.117 51.879 52.037 -0.069 0.000 0.736 745 A CB -0.270 18.688 19.000 -0.070 0.000 1.186 745 A HN 1.722 nan 8.150 nan 0.000 0.445 746 M N 1.458 121.012 119.600 -0.076 0.000 4.059 746 M HA -0.203 4.277 4.480 -0.001 0.000 0.157 746 M C -0.839 175.368 176.300 -0.156 0.000 1.530 746 M CA 1.011 56.278 55.300 -0.054 0.000 1.098 746 M CB -1.050 31.610 32.600 0.100 0.000 1.344 746 M HN 0.535 nan 8.290 nan 0.000 0.190 747 L N 2.769 123.843 121.223 -0.249 0.000 2.051 747 L HA 0.440 4.780 4.340 -0.001 0.000 0.202 747 L C 1.406 178.107 176.870 -0.283 0.000 1.097 747 L CA 0.862 55.489 54.840 -0.356 0.000 0.762 747 L CB -1.069 40.684 42.059 -0.509 0.000 0.913 747 L HN 1.350 nan 8.230 nan 0.000 0.447 748 G N 0.845 109.457 108.800 -0.314 0.000 3.405 748 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.676 748 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.676 748 G C -0.512 173.831 174.900 -0.928 0.000 1.039 748 G CA -0.220 44.371 45.100 -0.847 0.000 0.855 748 G HN 0.557 nan 8.290 nan 0.000 0.443 749 Q N -0.442 118.793 119.800 -0.941 0.000 3.050 749 Q HA -0.133 4.206 4.340 -0.001 0.000 0.074 749 Q C -0.331 175.520 176.000 -0.250 0.000 1.613 749 Q CA 1.395 56.921 55.803 -0.462 0.000 0.348 749 Q CB -0.211 28.246 28.738 -0.469 0.000 0.599 749 Q HN 0.891 nan 8.270 nan 0.000 0.321 750 Q N 2.461 122.157 119.800 -0.174 0.000 2.571 750 Q HA 0.364 4.704 4.340 -0.001 0.000 0.243 750 Q C -0.496 175.443 176.000 -0.103 0.000 1.055 750 Q CA -0.109 55.640 55.803 -0.091 0.000 0.815 750 Q CB 1.655 30.386 28.738 -0.010 0.000 1.151 750 Q HN 0.600 nan 8.270 nan 0.000 0.519 751 S N 1.258 116.904 115.700 -0.089 0.000 2.585 751 S HA 0.540 5.010 4.470 -0.001 0.000 0.273 751 S C -0.004 174.562 174.600 -0.057 0.000 1.339 751 S CA -0.383 57.772 58.200 -0.075 0.000 1.028 751 S CB 0.590 63.750 63.200 -0.066 0.000 0.906 751 S HN 0.401 nan 8.310 nan 0.000 0.528 752 V N 2.858 122.742 119.914 -0.049 0.000 3.048 752 V HA 0.711 4.831 4.120 -0.001 0.000 0.303 752 V C 0.412 176.485 176.094 -0.034 0.000 1.214 752 V CA -0.353 61.922 62.300 -0.041 0.000 0.984 752 V CB 1.306 33.105 31.823 -0.040 0.000 1.054 752 V HN 1.129 nan 8.190 nan 0.000 0.430 753 R N 2.131 122.612 120.500 -0.032 0.000 3.471 753 R HA -0.186 4.153 4.340 -0.001 0.000 0.317 753 R C 1.272 177.556 176.300 -0.027 0.000 0.656 753 R CA 2.466 58.550 56.100 -0.027 0.000 1.624 753 R CB -1.659 28.627 30.300 -0.023 0.000 1.657 753 R HN 2.696 nan 8.270 nan 0.000 0.468 754 G N -0.822 107.959 108.800 -0.031 0.000 2.613 754 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.199 754 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.199 754 G C -0.154 174.725 174.900 -0.035 0.000 0.991 754 G CA 0.236 45.317 45.100 -0.031 0.000 0.756 754 G HN 0.326 nan 8.290 nan 0.000 0.515 755 E N 0.168 120.346 120.200 -0.036 0.000 2.518 755 E HA 0.611 4.960 4.350 -0.001 0.000 0.248 755 E C 0.300 176.871 176.600 -0.049 0.000 1.028 755 E CA -0.716 55.660 56.400 -0.040 0.000 0.922 755 E CB 1.130 30.810 29.700 -0.034 0.000 1.299 755 E HN 0.270 nan 8.360 nan 0.000 0.457 756 R N 0.184 120.652 120.500 -0.054 0.000 2.580 756 R HA 0.306 4.645 4.340 -0.001 0.000 0.267 756 R C 0.253 176.514 176.300 -0.064 0.000 1.125 756 R CA -0.726 55.331 56.100 -0.073 0.000 1.188 756 R CB 0.347 30.604 30.300 -0.072 0.000 1.155 756 R HN 0.382 nan 8.270 nan 0.000 0.586 757 I N 3.797 124.305 120.570 -0.102 0.000 2.472 757 I HA -0.049 4.120 4.170 -0.001 0.000 0.305 757 I C 0.818 176.961 176.117 0.043 0.000 1.196 757 I CA 0.512 61.791 61.300 -0.036 0.000 1.613 757 I CB -1.373 36.573 38.000 -0.090 0.000 1.501 757 I HN 0.504 nan 8.210 nan 0.000 0.754 758 K N 6.694 127.117 120.400 0.039 0.000 2.140 758 K HA 0.378 4.697 4.320 -0.001 0.000 0.237 758 K C 0.559 177.210 176.600 0.085 0.000 1.045 758 K CA -0.887 55.432 56.287 0.054 0.000 0.896 758 K CB 0.475 32.988 32.500 0.021 0.000 1.122 758 K HN 0.309 nan 8.250 nan 0.000 0.503 759 R N -0.832 119.710 120.500 0.070 0.000 2.629 759 R HA -0.144 4.196 4.340 -0.001 0.000 0.277 759 R C 0.482 176.809 176.300 0.044 0.000 0.977 759 R CA 1.163 57.302 56.100 0.065 0.000 1.093 759 R CB -0.954 29.363 30.300 0.027 0.000 0.925 759 R HN 1.062 nan 8.270 nan 0.000 0.434 760 G N -0.988 107.822 108.800 0.016 0.000 4.225 760 G HA2 0.075 4.035 3.960 -0.001 0.000 0.177 760 G HA3 0.075 4.035 3.960 -0.001 0.000 0.177 760 G C -0.498 174.218 174.900 -0.306 0.000 0.949 760 G CA -0.288 44.739 45.100 -0.122 0.000 0.796 760 G HN 0.495 nan 8.290 nan 0.000 0.504 761 Y N 0.006 120.307 120.300 0.002 0.000 2.750 761 Y HA 0.454 5.003 4.550 -0.001 0.000 0.247 761 Y C 0.741 176.620 175.900 -0.035 0.000 1.098 761 Y CA -0.722 57.368 58.100 -0.016 0.000 1.120 761 Y CB 0.496 38.942 38.460 -0.023 0.000 1.210 761 Y HN 0.143 nan 8.280 nan 0.000 0.601 762 M N 1.437 121.076 119.600 0.065 0.000 3.044 762 M HA -0.263 4.217 4.480 -0.001 0.000 0.177 762 M C -0.488 175.749 176.300 -0.104 0.000 1.219 762 M CA 1.404 56.703 55.300 -0.002 0.000 0.764 762 M CB -1.498 31.115 32.600 0.021 0.000 1.242 762 M HN 0.446 nan 8.290 nan 0.000 0.731 763 T N 1.534 116.023 114.554 -0.109 0.000 3.530 763 T HA -0.133 4.217 4.350 -0.001 0.000 0.410 763 T C 0.418 175.052 174.700 -0.111 0.000 0.765 763 T CA 1.103 63.073 62.100 -0.217 0.000 2.161 763 T CB -1.068 67.371 68.868 -0.715 0.000 1.725 763 T HN 0.971 nan 8.240 nan 0.000 0.748 764 R N -1.903 118.632 120.500 0.059 0.000 2.124 764 R HA 0.080 4.420 4.340 -0.001 0.000 0.075 764 R C 1.251 177.709 176.300 0.264 0.000 0.611 764 R CA 0.291 56.490 56.100 0.165 0.000 1.541 764 R CB -0.870 29.493 30.300 0.105 0.000 1.060 764 R HN 0.378 nan 8.270 nan 0.000 0.508 765 T N 1.135 115.839 114.554 0.250 0.000 12.792 765 T HA -0.224 4.126 4.350 -0.001 0.000 0.419 765 T C 0.028 174.887 174.700 0.265 0.000 1.441 765 T CA 2.020 64.293 62.100 0.290 0.000 2.374 765 T CB -0.660 68.474 68.868 0.443 0.000 2.832 765 T HN 0.228 nan 8.240 nan 0.000 0.733 766 L N 2.493 123.764 121.223 0.081 0.000 2.362 766 L HA 0.336 4.676 4.340 -0.001 0.000 0.275 766 L C -1.539 175.155 176.870 -0.293 0.000 0.998 766 L CA -1.934 52.801 54.840 -0.176 0.000 0.820 766 L CB 1.610 43.297 42.059 -0.619 0.000 1.270 766 L HN 0.124 nan 8.230 nan 0.000 0.415 767 P HA -0.176 nan 4.420 nan 0.000 0.227 767 P C 0.871 178.037 177.300 -0.224 0.000 1.145 767 P CA 1.300 64.176 63.100 -0.374 0.000 0.769 767 P CB 0.031 31.364 31.700 -0.611 0.000 0.769 768 H N -1.921 116.843 119.070 -0.510 0.000 2.556 768 H HA 0.145 4.700 4.556 -0.001 0.000 0.268 768 H C 0.828 176.097 175.328 -0.097 0.000 0.996 768 H CA -0.086 55.735 56.048 -0.379 0.000 1.157 768 H CB -0.145 29.340 29.762 -0.461 0.000 1.355 768 H HN 0.256 nan 8.280 nan 0.000 0.597 769 F N 0.903 120.905 119.950 0.085 0.000 2.557 769 F HA 0.307 4.834 4.527 -0.001 0.000 0.336 769 F C 0.630 176.451 175.800 0.035 0.000 1.058 769 F CA -1.419 56.620 58.000 0.065 0.000 0.988 769 F CB 1.656 40.707 39.000 0.086 0.000 1.275 769 F HN -0.218 nan 8.300 nan 0.000 0.488 770 K N 3.267 123.825 120.400 0.263 0.000 2.249 770 K HA 0.258 4.578 4.320 -0.001 0.000 0.280 770 K C -2.504 174.187 176.600 0.151 0.000 1.033 770 K CA -1.720 54.661 56.287 0.157 0.000 0.946 770 K CB 0.942 33.519 32.500 0.127 0.000 1.005 770 K HN 0.181 nan 8.250 nan 0.000 0.469 771 P HA -0.116 nan 4.420 nan 0.000 0.262 771 P C -1.204 176.209 177.300 0.189 0.000 1.182 771 P CA 0.588 63.722 63.100 0.058 0.000 0.761 771 P CB -0.086 31.664 31.700 0.084 0.000 0.795 772 Y N -0.546 119.812 120.300 0.098 0.000 2.924 772 Y HA -0.195 4.355 4.550 -0.001 0.000 0.085 772 Y C 0.056 176.001 175.900 0.076 0.000 2.077 772 Y CA 0.579 58.730 58.100 0.084 0.000 1.050 772 Y CB -1.980 36.523 38.460 0.072 0.000 1.711 772 Y HN 0.447 nan 8.280 nan 0.000 0.318 773 D N 2.392 122.887 120.400 0.159 0.000 2.323 773 D HA 0.418 5.058 4.640 -0.001 0.000 0.242 773 D C 0.289 176.626 176.300 0.061 0.000 1.347 773 D CA -0.537 53.522 54.000 0.099 0.000 0.988 773 D CB 0.456 41.292 40.800 0.061 0.000 1.314 773 D HN 0.143 nan 8.370 nan 0.000 0.564 774 I N 0.899 121.504 120.570 0.057 0.000 3.564 774 I HA 0.063 4.233 4.170 -0.001 0.000 0.294 774 I C 1.220 177.333 176.117 -0.008 0.000 1.289 774 I CA 0.092 61.407 61.300 0.026 0.000 1.325 774 I CB -1.555 36.457 38.000 0.020 0.000 1.039 774 I HN 0.305 nan 8.210 nan 0.000 0.474 775 S N 3.552 119.238 115.700 -0.024 0.000 2.553 775 S HA -0.011 4.459 4.470 -0.001 0.000 0.293 775 S C -0.599 173.953 174.600 -0.081 0.000 1.296 775 S CA -0.641 57.528 58.200 -0.053 0.000 1.046 775 S CB 0.665 63.817 63.200 -0.080 0.000 0.810 775 S HN 0.173 nan 8.310 nan 0.000 0.505 776 P HA -0.168 nan 4.420 nan 0.000 0.218 776 P C 1.092 178.260 177.300 -0.220 0.000 1.148 776 P CA 1.176 64.207 63.100 -0.115 0.000 0.822 776 P CB -0.055 31.556 31.700 -0.148 0.000 0.784 777 E N 0.947 121.000 120.200 -0.244 0.000 2.086 777 E HA -0.180 4.170 4.350 -0.001 0.000 0.205 777 E C 1.562 178.051 176.600 -0.184 0.000 1.027 777 E CA 1.490 57.730 56.400 -0.267 0.000 0.830 777 E CB -1.443 28.125 29.700 -0.220 0.000 0.751 777 E HN 0.295 nan 8.360 nan 0.000 0.456 778 A N 0.390 123.069 122.820 -0.235 0.000 2.529 778 A HA 0.350 4.670 4.320 -0.001 0.000 0.269 778 A C 0.579 178.179 177.584 0.027 0.000 1.509 778 A CA 0.184 52.225 52.037 0.007 0.000 0.857 778 A CB 0.288 19.189 19.000 -0.165 0.000 1.531 778 A HN 0.228 nan 8.150 nan 0.000 0.541 779 R N -1.329 119.291 120.500 0.201 0.000 3.891 779 R HA -0.232 4.107 4.340 -0.001 0.000 0.297 779 R C 0.741 176.723 176.300 -0.530 0.000 1.226 779 R CA 1.004 57.062 56.100 -0.069 0.000 0.848 779 R CB -2.646 27.643 30.300 -0.018 0.000 1.224 779 R HN 2.462 nan 8.270 nan 0.000 0.530 780 G N -0.579 107.406 108.800 -1.358 0.000 2.384 780 G HA2 0.074 4.034 3.960 -0.001 0.000 0.668 780 G HA3 0.074 4.034 3.960 -0.001 0.000 0.668 780 G C -0.366 174.254 174.900 -0.466 0.000 1.280 780 G CA -0.359 43.986 45.100 -1.259 0.000 0.992 780 G HN 0.599 nan 8.290 nan 0.000 0.512 781 F N -1.190 118.509 119.950 -0.419 0.000 2.173 781 F HA -0.106 4.421 4.527 -0.001 0.000 0.509 781 F C -0.193 175.415 175.800 -0.321 0.000 1.273 781 F CA -0.491 57.324 58.000 -0.308 0.000 1.634 781 F CB -0.729 38.076 39.000 -0.325 0.000 2.601 781 F HN 0.704 nan 8.300 nan 0.000 0.728 782 I N 7.423 128.119 120.570 0.210 0.000 2.472 782 I HA 0.128 4.298 4.170 -0.001 0.000 0.290 782 I C 0.579 176.836 176.117 0.232 0.000 1.016 782 I CA 0.279 61.656 61.300 0.128 0.000 1.348 782 I CB 0.872 38.879 38.000 0.011 0.000 1.417 782 I HN 0.512 nan 8.210 nan 0.000 0.521 783 Y N 1.470 121.903 120.300 0.222 0.000 2.481 783 Y HA 0.195 4.745 4.550 -0.001 0.000 0.258 783 Y C 1.178 177.119 175.900 0.068 0.000 1.103 783 Y CA -0.368 57.834 58.100 0.170 0.000 1.287 783 Y CB 0.548 39.066 38.460 0.098 0.000 1.108 783 Y HN 0.453 nan 8.280 nan 0.000 0.529 784 S N 1.005 116.813 115.700 0.180 0.000 2.565 784 S HA 0.178 4.648 4.470 -0.001 0.000 0.276 784 S C 0.158 174.719 174.600 -0.065 0.000 1.326 784 S CA -0.676 57.569 58.200 0.075 0.000 1.045 784 S CB 0.826 64.081 63.200 0.091 0.000 0.918 784 S HN 0.303 nan 8.310 nan 0.000 0.505 785 S N 2.098 117.755 115.700 -0.071 0.000 2.617 785 S HA 0.451 4.921 4.470 -0.001 0.000 0.283 785 S C 0.491 175.056 174.600 -0.058 0.000 1.189 785 S CA -0.811 57.295 58.200 -0.157 0.000 1.036 785 S CB 0.115 63.266 63.200 -0.081 0.000 1.014 785 S HN 0.613 nan 8.310 nan 0.000 0.522 786 F N 0.330 120.272 119.950 -0.013 0.000 2.549 786 F HA -0.084 4.443 4.527 -0.000 0.000 0.295 786 F C 2.567 178.376 175.800 0.014 0.000 1.124 786 F CA -0.005 57.993 58.000 -0.004 0.000 1.482 786 F CB -0.075 38.922 39.000 -0.006 0.000 1.108 786 F HN 0.503 nan 8.300 nan 0.000 0.602 787 R N 0.455 121.052 120.500 0.161 0.000 2.015 787 R HA 0.012 4.352 4.340 -0.001 0.000 0.212 787 R C 2.147 178.504 176.300 0.096 0.000 1.304 787 R CA 1.521 57.687 56.100 0.110 0.000 1.040 787 R CB -1.180 29.162 30.300 0.070 0.000 0.915 787 R HN 0.010 nan 8.270 nan 0.000 0.465 788 T N 0.229 114.825 114.554 0.069 0.000 2.701 788 T HA -0.174 4.176 4.350 -0.001 0.000 0.265 788 T C 0.675 175.431 174.700 0.094 0.000 1.032 788 T CA 2.009 64.152 62.100 0.071 0.000 1.158 788 T CB -0.789 68.113 68.868 0.056 0.000 0.854 788 T HN 0.709 nan 8.240 nan 0.000 0.463 789 G N 1.038 109.908 108.800 0.117 0.000 3.391 789 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.683 789 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.683 789 G C -0.561 174.418 174.900 0.133 0.000 1.071 789 G CA -0.877 44.303 45.100 0.133 0.000 0.904 789 G HN 0.370 nan 8.290 nan 0.000 0.452 790 L N 1.329 122.651 121.223 0.165 0.000 2.554 790 L HA 0.060 4.399 4.340 -0.001 0.000 0.293 790 L C 1.395 178.345 176.870 0.134 0.000 1.252 790 L CA 1.109 56.039 54.840 0.151 0.000 0.862 790 L CB 0.181 42.361 42.059 0.202 0.000 1.113 790 L HN 0.650 nan 8.230 nan 0.000 0.510 791 K N 3.602 124.080 120.400 0.131 0.000 2.090 791 K HA 0.234 4.553 4.320 -0.001 0.000 0.249 791 K C -1.473 175.184 176.600 0.095 0.000 0.995 791 K CA -1.535 54.820 56.287 0.114 0.000 0.914 791 K CB 0.656 33.231 32.500 0.124 0.000 1.057 791 K HN 0.272 nan 8.250 nan 0.000 0.462 792 P HA -0.204 nan 4.420 nan 0.000 0.217 792 P C 0.517 177.791 177.300 -0.043 0.000 1.148 792 P CA 1.547 64.662 63.100 0.025 0.000 0.834 792 P CB 0.294 32.009 31.700 0.024 0.000 0.783 793 T N -1.605 112.910 114.554 -0.065 0.000 3.004 793 T HA 0.006 4.355 4.350 -0.001 0.000 0.243 793 T C 1.536 176.189 174.700 -0.078 0.000 1.020 793 T CA 0.541 62.512 62.100 -0.214 0.000 1.145 793 T CB -0.517 68.225 68.868 -0.210 0.000 0.876 793 T HN 0.236 nan 8.240 nan 0.000 0.449 794 E N 1.184 121.461 120.200 0.129 0.000 2.219 794 E HA -0.122 4.227 4.350 -0.001 0.000 0.198 794 E C 2.010 178.770 176.600 0.267 0.000 0.998 794 E CA 0.773 57.336 56.400 0.272 0.000 0.818 794 E CB -0.227 29.595 29.700 0.204 0.000 0.741 794 E HN 0.355 nan 8.360 nan 0.000 0.477 795 L N -0.385 120.953 121.223 0.192 0.000 2.209 795 L HA -0.024 4.316 4.340 -0.001 0.000 0.207 795 L C 1.987 178.965 176.870 0.181 0.000 1.094 795 L CA 0.540 55.508 54.840 0.213 0.000 0.790 795 L CB 0.060 42.222 42.059 0.171 0.000 0.932 795 L HN 0.024 nan 8.230 nan 0.000 0.447 796 F N -1.045 118.900 119.950 -0.010 0.000 2.710 796 F HA 0.005 4.532 4.527 -0.001 0.000 0.298 796 F C 1.610 177.439 175.800 0.049 0.000 1.137 796 F CA 0.892 58.865 58.000 -0.045 0.000 1.444 796 F CB -0.020 38.876 39.000 -0.173 0.000 1.111 796 F HN 0.004 nan 8.300 nan 0.000 0.580 797 F N -1.408 118.579 119.950 0.061 0.000 2.147 797 F HA -0.120 4.406 4.527 -0.001 0.000 0.291 797 F C 2.618 178.418 175.800 -0.001 0.000 1.093 797 F CA 0.895 58.913 58.000 0.030 0.000 1.263 797 F CB -0.487 38.581 39.000 0.112 0.000 1.036 797 F HN -0.048 nan 8.300 nan 0.000 0.481 798 H N 0.417 119.605 119.070 0.197 0.000 2.456 798 H HA -0.092 4.464 4.556 -0.001 0.000 0.296 798 H C 1.861 177.210 175.328 0.035 0.000 1.079 798 H CA 1.353 57.467 56.048 0.110 0.000 1.322 798 H CB -0.102 29.757 29.762 0.162 0.000 1.388 798 H HN 0.184 nan 8.280 nan 0.000 0.538 799 A N 0.044 122.776 122.820 -0.147 0.000 2.016 799 A HA 0.213 4.533 4.320 -0.001 0.000 0.217 799 A C 2.422 179.839 177.584 -0.279 0.000 1.162 799 A CA 0.928 52.813 52.037 -0.253 0.000 0.662 799 A CB -0.739 18.140 19.000 -0.201 0.000 0.812 799 A HN 0.532 nan 8.150 nan 0.000 0.450 800 A N -0.585 122.065 122.820 -0.283 0.000 2.167 800 A HA 0.309 4.629 4.320 -0.001 0.000 0.214 800 A C 2.130 179.633 177.584 -0.136 0.000 1.151 800 A CA 1.284 53.176 52.037 -0.241 0.000 0.735 800 A CB -0.798 18.069 19.000 -0.222 0.000 0.802 800 A HN 0.565 nan 8.150 nan 0.000 0.467 801 G N -0.195 108.529 108.800 -0.127 0.000 2.394 801 G HA2 0.092 4.052 3.960 -0.001 0.000 0.215 801 G HA3 0.092 4.052 3.960 -0.001 0.000 0.215 801 G C 1.427 176.259 174.900 -0.113 0.000 1.165 801 G CA 1.021 46.065 45.100 -0.093 0.000 0.784 801 G HN 0.603 nan 8.290 nan 0.000 0.535 802 G N 0.162 108.858 108.800 -0.173 0.000 2.511 802 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.217 802 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.217 802 G C 1.771 176.609 174.900 -0.104 0.000 1.133 802 G CA 0.685 45.703 45.100 -0.137 0.000 0.792 802 G HN 0.331 nan 8.290 nan 0.000 0.539 803 R N 1.080 121.513 120.500 -0.113 0.000 2.165 803 R HA -0.159 4.181 4.340 -0.001 0.000 0.254 803 R C 2.259 178.520 176.300 -0.064 0.000 1.153 803 R CA 1.990 58.037 56.100 -0.089 0.000 0.971 803 R CB -0.557 29.686 30.300 -0.095 0.000 0.878 803 R HN 0.590 nan 8.270 nan 0.000 0.449 804 E N -1.698 118.466 120.200 -0.059 0.000 2.000 804 E HA -0.152 4.198 4.350 -0.001 0.000 0.199 804 E C 1.939 178.515 176.600 -0.040 0.000 1.011 804 E CA 1.263 57.636 56.400 -0.045 0.000 0.836 804 E CB -0.673 29.002 29.700 -0.041 0.000 0.778 804 E HN 0.553 nan 8.360 nan 0.000 0.462 805 G N 1.592 110.368 108.800 -0.040 0.000 2.681 805 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.224 805 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.224 805 G C 1.544 176.425 174.900 -0.033 0.000 1.100 805 G CA 1.430 46.510 45.100 -0.034 0.000 0.743 805 G HN 0.088 nan 8.290 nan 0.000 0.612 806 L N -0.303 120.898 121.223 -0.037 0.000 2.027 806 L HA -0.069 4.270 4.340 -0.001 0.000 0.206 806 L C 2.949 179.803 176.870 -0.027 0.000 1.074 806 L CA 0.761 55.581 54.840 -0.033 0.000 0.745 806 L CB -0.704 41.333 42.059 -0.036 0.000 0.898 806 L HN 0.133 nan 8.230 nan 0.000 0.433 807 V N -0.353 119.544 119.914 -0.028 0.000 2.488 807 V HA -0.190 3.929 4.120 -0.001 0.000 0.246 807 V C 2.105 178.186 176.094 -0.022 0.000 1.046 807 V CA 1.525 63.811 62.300 -0.024 0.000 1.053 807 V CB -0.512 31.297 31.823 -0.024 0.000 0.679 807 V HN 0.403 nan 8.190 nan 0.000 0.458 808 D N 0.272 120.658 120.400 -0.023 0.000 2.117 808 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 808 D C 2.224 178.514 176.300 -0.018 0.000 0.987 808 D CA 1.908 55.896 54.000 -0.020 0.000 0.829 808 D CB -0.530 40.257 40.800 -0.021 0.000 0.961 808 D HN 0.372 nan 8.370 nan 0.000 0.460 809 T N 0.759 115.302 114.554 -0.019 0.000 2.803 809 T HA -0.088 4.262 4.350 -0.001 0.000 0.269 809 T C 1.949 176.640 174.700 -0.016 0.000 1.052 809 T CA 1.359 63.448 62.100 -0.018 0.000 1.136 809 T CB -0.086 68.770 68.868 -0.020 0.000 0.864 809 T HN 0.225 nan 8.240 nan 0.000 0.467 810 A N 0.609 123.419 122.820 -0.016 0.000 1.878 810 A HA 0.127 4.447 4.320 -0.001 0.000 0.213 810 A C 2.508 180.086 177.584 -0.011 0.000 1.192 810 A CA 0.709 52.738 52.037 -0.014 0.000 0.619 810 A CB -0.599 18.392 19.000 -0.015 0.000 0.837 810 A HN 0.337 nan 8.150 nan 0.000 0.446 811 V N 0.371 120.278 119.914 -0.013 0.000 2.488 811 V HA -0.144 3.976 4.120 -0.001 0.000 0.246 811 V C 2.579 178.668 176.094 -0.009 0.000 1.046 811 V CA 1.446 63.738 62.300 -0.012 0.000 1.053 811 V CB -0.794 31.020 31.823 -0.016 0.000 0.679 811 V HN 0.395 nan 8.190 nan 0.000 0.458 812 R N 0.295 120.790 120.500 -0.008 0.000 2.127 812 R HA -0.139 4.201 4.340 -0.001 0.000 0.238 812 R C 2.294 178.597 176.300 0.005 0.000 1.134 812 R CA 1.785 57.883 56.100 -0.004 0.000 0.975 812 R CB -1.370 28.926 30.300 -0.006 0.000 0.865 812 R HN 0.497 nan 8.270 nan 0.000 0.447 813 T N 1.175 115.731 114.554 0.003 0.000 2.759 813 T HA -0.147 4.202 4.350 -0.001 0.000 0.269 813 T C 1.969 176.685 174.700 0.027 0.000 1.042 813 T CA 1.783 63.890 62.100 0.010 0.000 1.140 813 T CB -0.255 68.615 68.868 0.004 0.000 0.864 813 T HN 0.494 nan 8.240 nan 0.000 0.455 814 S N 1.804 117.519 115.700 0.025 0.000 2.400 814 S HA -0.222 4.247 4.470 -0.001 0.000 0.232 814 S C 1.942 176.591 174.600 0.082 0.000 1.025 814 S CA 1.115 59.339 58.200 0.041 0.000 0.993 814 S CB -0.439 62.767 63.200 0.010 0.000 0.808 814 S HN 0.637 nan 8.310 nan 0.000 0.478 815 Q N 0.285 120.124 119.800 0.066 0.000 2.297 815 Q HA 0.174 4.514 4.340 -0.001 0.000 0.203 815 Q C 2.382 178.459 176.000 0.129 0.000 0.931 815 Q CA 0.847 56.716 55.803 0.110 0.000 0.885 815 Q CB -0.259 28.507 28.738 0.047 0.000 0.991 815 Q HN 0.608 nan 8.270 nan 0.000 0.498 816 S N 0.577 116.319 115.700 0.069 0.000 2.368 816 S HA -0.105 4.365 4.470 -0.001 0.000 0.225 816 S C 1.900 176.524 174.600 0.040 0.000 1.030 816 S CA 1.469 59.695 58.200 0.044 0.000 0.999 816 S CB -0.375 62.836 63.200 0.019 0.000 0.844 816 S HN 0.527 nan 8.310 nan 0.000 0.459 817 G N -1.125 107.705 108.800 0.049 0.000 2.494 817 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.216 817 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.216 817 G C 1.219 176.137 174.900 0.029 0.000 1.140 817 G CA 0.541 45.658 45.100 0.029 0.000 0.801 817 G HN 0.610 nan 8.290 nan 0.000 0.536 818 Y N 0.680 120.975 120.300 -0.008 0.000 2.352 818 Y HA 0.035 4.585 4.550 -0.001 0.000 0.292 818 Y C 2.538 178.434 175.900 -0.007 0.000 1.136 818 Y CA 1.762 59.857 58.100 -0.007 0.000 1.227 818 Y CB 0.028 38.483 38.460 -0.008 0.000 0.991 818 Y HN 0.219 nan 8.280 nan 0.000 0.545 819 M N -0.668 118.920 119.600 -0.020 0.000 2.287 819 M HA -0.146 4.333 4.480 -0.001 0.000 0.266 819 M C 2.256 178.492 176.300 -0.107 0.000 1.079 819 M CA 1.589 56.849 55.300 -0.066 0.000 1.146 819 M CB -0.145 32.469 32.600 0.023 0.000 1.374 819 M HN 0.338 nan 8.290 nan 0.000 0.435 820 Q N 0.375 120.131 119.800 -0.074 0.000 2.016 820 Q HA -0.256 4.084 4.340 -0.001 0.000 0.200 820 Q C 2.080 178.021 176.000 -0.099 0.000 0.978 820 Q CA 2.007 57.770 55.803 -0.067 0.000 0.833 820 Q CB -0.155 28.558 28.738 -0.042 0.000 0.895 820 Q HN 0.465 nan 8.270 nan 0.000 0.427 821 R N 0.353 120.776 120.500 -0.128 0.000 2.185 821 R HA -0.177 4.163 4.340 -0.001 0.000 0.247 821 R C 1.887 178.079 176.300 -0.180 0.000 1.159 821 R CA 1.621 57.635 56.100 -0.143 0.000 0.988 821 R CB -0.038 30.165 30.300 -0.162 0.000 0.871 821 R HN 0.201 nan 8.270 nan 0.000 0.458 822 R N -0.410 119.946 120.500 -0.241 0.000 2.082 822 R HA -0.057 4.283 4.340 -0.001 0.000 0.218 822 R C 2.169 178.401 176.300 -0.113 0.000 1.171 822 R CA 1.563 57.537 56.100 -0.210 0.000 0.914 822 R CB -0.675 29.477 30.300 -0.248 0.000 0.806 822 R HN 0.175 nan 8.270 nan 0.000 0.453 823 L N 0.644 121.816 121.223 -0.084 0.000 2.137 823 L HA -0.202 4.138 4.340 -0.001 0.000 0.213 823 L C 2.153 178.998 176.870 -0.041 0.000 1.085 823 L CA 1.538 56.349 54.840 -0.048 0.000 0.760 823 L CB -1.003 41.038 42.059 -0.030 0.000 0.893 823 L HN 0.219 nan 8.230 nan 0.000 0.434 824 I N 0.293 120.832 120.570 -0.051 0.000 2.236 824 I HA -0.287 3.883 4.170 -0.001 0.000 0.249 824 I C 2.279 178.374 176.117 -0.036 0.000 1.102 824 I CA 1.342 62.618 61.300 -0.040 0.000 1.365 824 I CB -1.075 36.897 38.000 -0.046 0.000 1.051 824 I HN 0.543 nan 8.210 nan 0.000 0.420 825 N N 0.349 119.020 118.700 -0.047 0.000 2.227 825 N HA 0.010 4.749 4.740 -0.001 0.000 0.203 825 N C 1.794 177.286 175.510 -0.030 0.000 1.037 825 N CA 0.991 54.018 53.050 -0.038 0.000 1.005 825 N CB -0.370 38.087 38.487 -0.049 0.000 1.214 825 N HN 0.188 nan 8.380 nan 0.000 0.527 826 A N 1.498 124.297 122.820 -0.035 0.000 1.818 826 A HA -0.258 4.062 4.320 -0.001 0.000 0.310 826 A C 1.112 178.689 177.584 -0.012 0.000 3.572 826 A CA 2.131 54.153 52.037 -0.024 0.000 0.984 826 A CB -1.610 17.373 19.000 -0.027 0.000 0.719 826 A HN 0.460 nan 8.150 nan 0.000 0.500 827 L N -0.171 121.046 121.223 -0.010 0.000 2.375 827 L HA 0.545 4.885 4.340 -0.001 0.000 0.276 827 L C 0.817 177.686 176.870 -0.001 0.000 1.162 827 L CA 1.417 56.258 54.840 0.001 0.000 0.991 827 L CB 0.338 42.401 42.059 0.007 0.000 1.315 827 L HN 0.709 nan 8.230 nan 0.000 0.431 828 S N 0.947 116.646 115.700 -0.002 0.000 3.718 828 S HA 0.118 4.588 4.470 -0.001 0.000 0.238 828 S C 0.589 175.183 174.600 -0.010 0.000 1.136 828 S CA -0.087 58.109 58.200 -0.007 0.000 0.950 828 S CB -0.189 63.004 63.200 -0.012 0.000 1.096 828 S HN 0.496 nan 8.310 nan 0.000 0.467 829 D N 2.593 122.989 120.400 -0.006 0.000 2.629 829 D HA 0.190 4.829 4.640 -0.001 0.000 0.259 829 D C -0.380 175.914 176.300 -0.010 0.000 1.305 829 D CA 0.481 54.477 54.000 -0.007 0.000 0.937 829 D CB -0.363 40.438 40.800 0.003 0.000 1.055 829 D HN 0.495 nan 8.370 nan 0.000 0.471 830 L N 1.463 122.678 121.223 -0.015 0.000 2.298 830 L HA 0.378 4.717 4.340 -0.001 0.000 0.284 830 L C 0.889 177.731 176.870 -0.047 0.000 1.013 830 L CA -0.781 54.048 54.840 -0.019 0.000 0.824 830 L CB 1.466 43.525 42.059 0.001 0.000 1.221 830 L HN -0.068 nan 8.230 nan 0.000 0.418 831 R N 3.004 123.463 120.500 -0.068 0.000 2.843 831 R HA 0.893 5.233 4.340 -0.001 0.000 0.232 831 R C -0.702 175.517 176.300 -0.136 0.000 1.305 831 R CA -0.784 55.248 56.100 -0.112 0.000 1.096 831 R CB 1.524 31.749 30.300 -0.125 0.000 1.455 831 R HN 0.485 nan 8.270 nan 0.000 0.520 832 A N 1.939 124.646 122.820 -0.188 0.000 2.508 832 A HA 0.274 4.593 4.320 -0.001 0.000 0.336 832 A C -0.599 176.858 177.584 -0.211 0.000 1.360 832 A CA -0.843 51.074 52.037 -0.200 0.000 0.841 832 A CB 0.398 19.239 19.000 -0.265 0.000 1.136 832 A HN 0.675 nan 8.150 nan 0.000 0.489 833 E N 0.826 120.928 120.200 -0.163 0.000 2.485 833 E HA -0.098 4.252 4.350 -0.001 0.000 0.266 833 E C 0.139 176.655 176.600 -0.139 0.000 1.090 833 E CA 0.370 56.663 56.400 -0.178 0.000 0.987 833 E CB 0.188 29.845 29.700 -0.073 0.000 0.974 833 E HN 0.648 nan 8.360 nan 0.000 0.455 834 Y N 0.924 121.204 120.300 -0.033 0.000 2.274 834 Y HA -0.172 4.378 4.550 -0.001 0.000 0.290 834 Y C 1.913 177.800 175.900 -0.020 0.000 1.145 834 Y CA 1.695 59.776 58.100 -0.032 0.000 1.203 834 Y CB -0.198 38.244 38.460 -0.029 0.000 0.984 834 Y HN 0.530 nan 8.280 nan 0.000 0.533 835 D N -1.013 119.469 120.400 0.137 0.000 2.352 835 D HA 0.041 4.681 4.640 -0.001 0.000 0.232 835 D C 1.546 177.883 176.300 0.060 0.000 1.055 835 D CA 0.926 54.976 54.000 0.083 0.000 0.891 835 D CB -0.287 40.550 40.800 0.061 0.000 0.897 835 D HN 0.369 nan 8.370 nan 0.000 0.529 836 G N -0.147 108.684 108.800 0.053 0.000 2.137 836 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.237 836 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.237 836 G C 0.232 175.176 174.900 0.072 0.000 1.002 836 G CA 0.394 45.531 45.100 0.061 0.000 0.702 836 G HN 0.495 nan 8.290 nan 0.000 0.515 837 T N -1.034 113.544 114.554 0.041 0.000 2.922 837 T HA 0.640 4.990 4.350 -0.001 0.000 0.281 837 T C 0.152 174.868 174.700 0.026 0.000 1.005 837 T CA -0.349 61.779 62.100 0.045 0.000 0.982 837 T CB 2.550 71.432 68.868 0.024 0.000 1.158 837 T HN 0.529 nan 8.240 nan 0.000 0.566 838 V N 2.245 122.182 119.914 0.039 0.000 2.313 838 V HA 0.341 4.461 4.120 -0.001 0.000 0.262 838 V C 0.151 176.251 176.094 0.010 0.000 1.011 838 V CA -0.632 61.681 62.300 0.022 0.000 0.858 838 V CB -0.021 31.851 31.823 0.081 0.000 1.104 838 V HN 0.615 nan 8.190 nan 0.000 0.456 839 R N 1.335 121.826 120.500 -0.015 0.000 2.607 839 R HA 0.761 5.101 4.340 -0.001 0.000 0.261 839 R C 0.582 176.872 176.300 -0.015 0.000 1.051 839 R CA -0.093 55.999 56.100 -0.014 0.000 1.110 839 R CB 1.719 32.002 30.300 -0.029 0.000 1.158 839 R HN 0.631 nan 8.270 nan 0.000 0.543 840 S N -0.186 115.514 115.700 -0.000 0.000 3.894 840 S HA 0.265 4.734 4.470 -0.001 0.000 0.189 840 S C 1.168 175.780 174.600 0.019 0.000 1.096 840 S CA -0.655 57.550 58.200 0.008 0.000 1.481 840 S CB -0.245 62.970 63.200 0.025 0.000 1.321 840 S HN 0.356 nan 8.310 nan 0.000 0.828 841 L N -0.009 121.244 121.223 0.050 0.000 2.044 841 L HA 0.212 4.552 4.340 -0.001 0.000 0.218 841 L C 2.186 179.124 176.870 0.112 0.000 1.133 841 L CA 1.013 55.895 54.840 0.071 0.000 1.742 841 L CB -0.856 41.252 42.059 0.083 0.000 1.442 841 L HN 0.605 nan 8.230 nan 0.000 0.839 842 Y N 1.686 121.983 120.300 -0.004 0.000 2.368 842 Y HA -0.309 4.241 4.550 -0.001 0.000 0.274 842 Y C 1.291 177.190 175.900 -0.002 0.000 1.230 842 Y CA 1.128 59.227 58.100 -0.002 0.000 1.349 842 Y CB -0.692 37.767 38.460 -0.001 0.000 0.968 842 Y HN 0.531 nan 8.280 nan 0.000 0.575 843 G N -0.148 108.628 108.800 -0.041 0.000 2.138 843 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.193 843 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.193 843 G C -0.119 174.706 174.900 -0.125 0.000 0.998 843 G CA -0.048 44.973 45.100 -0.130 0.000 0.668 843 G HN 0.459 nan 8.290 nan 0.000 0.516 844 E N 0.437 120.620 120.200 -0.029 0.000 2.351 844 E HA 0.317 4.667 4.350 -0.001 0.000 0.266 844 E C 0.417 177.025 176.600 0.013 0.000 1.031 844 E CA -0.171 56.243 56.400 0.024 0.000 0.911 844 E CB 1.542 31.313 29.700 0.118 0.000 0.986 844 E HN 0.127 nan 8.360 nan 0.000 0.446 845 V N 5.238 125.157 119.914 0.007 0.000 2.427 845 V HA -0.037 4.083 4.120 -0.001 0.000 0.268 845 V C 1.118 177.230 176.094 0.031 0.000 1.046 845 V CA 0.007 62.316 62.300 0.015 0.000 0.970 845 V CB 1.165 32.994 31.823 0.009 0.000 1.001 845 V HN 0.588 nan 8.190 nan 0.000 0.476 846 V N 4.065 124.002 119.914 0.039 0.000 2.500 846 V HA 0.072 4.192 4.120 -0.001 0.000 0.243 846 V C 0.712 176.838 176.094 0.054 0.000 1.039 846 V CA 1.102 63.431 62.300 0.047 0.000 1.053 846 V CB -0.221 31.634 31.823 0.053 0.000 0.695 846 V HN 0.877 nan 8.190 nan 0.000 0.463 847 Q N -1.170 118.669 119.800 0.066 0.000 2.331 847 Q HA 0.410 4.750 4.340 -0.001 0.000 0.272 847 Q C 0.262 176.301 176.000 0.065 0.000 1.062 847 Q CA -0.375 55.471 55.803 0.072 0.000 0.806 847 Q CB 2.850 31.656 28.738 0.114 0.000 1.312 847 Q HN 0.013 nan 8.270 nan 0.000 0.431 848 V N 0.564 120.507 119.914 0.049 0.000 2.283 848 V HA -0.054 4.065 4.120 -0.001 0.000 0.243 848 V C 0.570 176.699 176.094 0.057 0.000 1.039 848 V CA 1.781 64.105 62.300 0.041 0.000 1.016 848 V CB -0.101 31.740 31.823 0.029 0.000 0.650 848 V HN 0.781 nan 8.190 nan 0.000 0.449 849 A N -1.074 121.782 122.820 0.060 0.000 2.304 849 A HA 0.572 4.892 4.320 -0.001 0.000 0.314 849 A C -0.867 176.777 177.584 0.100 0.000 1.187 849 A CA -0.526 51.557 52.037 0.076 0.000 0.810 849 A CB 0.264 19.291 19.000 0.044 0.000 1.183 849 A HN 0.321 nan 8.150 nan 0.000 0.487 850 Y N 2.654 122.976 120.300 0.037 0.000 2.620 850 Y HA 0.323 4.873 4.550 -0.001 0.000 0.330 850 Y C 1.345 177.280 175.900 0.057 0.000 1.186 850 Y CA 0.972 59.102 58.100 0.050 0.000 1.467 850 Y CB 0.373 38.873 38.460 0.066 0.000 1.262 850 Y HN 1.476 nan 8.280 nan 0.000 0.550 851 G N 5.511 113.873 108.800 -0.730 0.000 2.449 851 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.304 851 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.304 851 G C 0.460 175.180 174.900 -0.301 0.000 0.962 851 G CA 0.863 45.573 45.100 -0.651 0.000 0.943 851 G HN 0.998 nan 8.290 nan 0.000 0.514 852 D N -1.805 118.501 120.400 -0.157 0.000 2.853 852 D HA -0.170 4.470 4.640 -0.001 0.000 0.198 852 D C 1.108 177.383 176.300 -0.041 0.000 1.076 852 D CA 2.158 56.116 54.000 -0.069 0.000 1.019 852 D CB -0.714 40.051 40.800 -0.058 0.000 1.115 852 D HN 0.555 nan 8.370 nan 0.000 0.409 853 D N -1.981 118.383 120.400 -0.059 0.000 2.943 853 D HA 0.356 4.995 4.640 -0.001 0.000 0.282 853 D C 1.894 178.235 176.300 0.068 0.000 1.148 853 D CA 1.741 55.746 54.000 0.007 0.000 1.006 853 D CB 0.141 40.950 40.800 0.015 0.000 1.168 853 D HN 0.334 nan 8.370 nan 0.000 0.450 854 G N 0.488 109.367 108.800 0.131 0.000 2.192 854 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.193 854 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.193 854 G C 0.022 175.119 174.900 0.327 0.000 0.999 854 G CA 0.091 45.361 45.100 0.283 0.000 0.659 854 G HN 0.290 nan 8.290 nan 0.000 0.503 855 V N 1.784 121.861 119.914 0.271 0.000 2.406 855 V HA 0.581 4.700 4.120 -0.001 0.000 0.272 855 V C 0.307 176.685 176.094 0.473 0.000 1.043 855 V CA -0.650 61.830 62.300 0.300 0.000 0.915 855 V CB 1.050 32.986 31.823 0.189 0.000 0.988 855 V HN 0.321 nan 8.190 nan 0.000 0.466 856 F N 8.182 128.375 119.950 0.405 0.000 2.443 856 F HA 0.329 4.856 4.527 -0.001 0.000 0.353 856 F C -1.213 174.768 175.800 0.302 0.000 1.101 856 F CA -1.578 56.684 58.000 0.437 0.000 1.226 856 F CB 1.763 41.055 39.000 0.487 0.000 1.140 856 F HN 0.452 nan 8.300 nan 0.000 0.557 857 P HA -0.211 nan 4.420 nan 0.000 0.218 857 P C 1.742 178.937 177.300 -0.176 0.000 1.146 857 P CA 1.565 64.550 63.100 -0.191 0.000 0.813 857 P CB 0.041 31.559 31.700 -0.304 0.000 0.778 858 M N -2.267 117.162 119.600 -0.286 0.000 2.159 858 M HA -0.159 4.321 4.480 -0.001 0.000 0.263 858 M C 0.790 176.937 176.300 -0.255 0.000 1.063 858 M CA 1.832 56.957 55.300 -0.291 0.000 1.110 858 M CB -0.343 32.054 32.600 -0.338 0.000 1.374 858 M HN 0.014 nan 8.290 nan 0.000 0.411 859 Y N -0.809 119.595 120.300 0.174 0.000 2.583 859 Y HA 0.207 4.756 4.550 -0.001 0.000 0.294 859 Y C 1.178 177.164 175.900 0.144 0.000 1.170 859 Y CA -0.637 57.553 58.100 0.150 0.000 1.265 859 Y CB -0.555 38.000 38.460 0.159 0.000 1.119 859 Y HN 0.094 nan 8.280 nan 0.000 0.522 860 S N -1.119 114.721 115.700 0.233 0.000 2.855 860 S HA 0.831 5.300 4.470 -0.001 0.000 0.308 860 S C 1.109 175.845 174.600 0.226 0.000 1.077 860 S CA -0.279 58.052 58.200 0.219 0.000 0.896 860 S CB 1.087 64.398 63.200 0.186 0.000 1.339 860 S HN 0.063 nan 8.310 nan 0.000 0.602 861 A N -0.547 122.423 122.820 0.249 0.000 1.881 861 A HA 0.351 4.670 4.320 -0.001 0.000 0.210 861 A C 1.576 179.307 177.584 0.244 0.000 1.239 861 A CA 0.651 52.871 52.037 0.305 0.000 0.629 861 A CB -0.642 18.601 19.000 0.405 0.000 0.906 861 A HN 0.931 nan 8.150 nan 0.000 0.460 862 H N -3.214 115.919 119.070 0.104 0.000 2.404 862 H HA 0.168 4.724 4.556 -0.001 0.000 0.162 862 H C 0.719 176.079 175.328 0.054 0.000 0.897 862 H CA 0.258 56.344 56.048 0.063 0.000 0.739 862 H CB 0.343 30.133 29.762 0.046 0.000 0.777 862 H HN 0.553 nan 8.280 nan 0.000 0.452 863 G N 0.955 109.878 108.800 0.205 0.000 2.798 863 G HA2 0.339 4.299 3.960 -0.001 0.000 0.286 863 G HA3 0.339 4.299 3.960 -0.001 0.000 0.286 863 G C -0.511 174.461 174.900 0.120 0.000 1.389 863 G CA -0.805 44.370 45.100 0.125 0.000 0.894 863 G HN 0.142 nan 8.290 nan 0.000 0.488 864 K N 0.048 120.501 120.400 0.089 0.000 2.597 864 K HA 0.262 4.582 4.320 -0.001 0.000 0.228 864 K C -0.658 175.990 176.600 0.082 0.000 1.138 864 K CA 0.724 57.063 56.287 0.086 0.000 1.185 864 K CB -1.295 31.243 32.500 0.063 0.000 1.195 864 K HN 0.490 nan 8.250 nan 0.000 0.237 865 T N -0.854 113.760 114.554 0.100 0.000 0.679 865 T HA -0.121 4.229 4.350 -0.001 0.000 0.761 865 T C -0.317 174.425 174.700 0.070 0.000 0.989 865 T CA -0.169 61.981 62.100 0.084 0.000 4.013 865 T CB -0.758 68.145 68.868 0.059 0.000 2.270 865 T HN 0.209 nan 8.240 nan 0.000 0.397 866 V N 4.937 124.891 119.914 0.067 0.000 2.287 866 V HA 0.061 4.181 4.120 -0.001 0.000 0.246 866 V C 1.781 177.874 176.094 -0.002 0.000 1.165 866 V CA 0.001 62.322 62.300 0.036 0.000 1.088 866 V CB 0.481 32.315 31.823 0.018 0.000 1.242 866 V HN 0.928 nan 8.190 nan 0.000 0.497 867 D N 2.940 123.351 120.400 0.019 0.000 2.191 867 D HA -0.192 4.447 4.640 -0.001 0.000 0.195 867 D C 1.936 178.249 176.300 0.023 0.000 1.003 867 D CA 1.511 55.523 54.000 0.020 0.000 0.867 867 D CB 0.178 40.993 40.800 0.026 0.000 0.926 867 D HN 0.520 nan 8.370 nan 0.000 0.450 868 V N 1.042 120.973 119.914 0.029 0.000 2.488 868 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 868 V C 2.182 178.320 176.094 0.073 0.000 1.046 868 V CA 1.514 63.859 62.300 0.075 0.000 1.053 868 V CB -0.749 31.130 31.823 0.093 0.000 0.679 868 V HN 0.085 nan 8.190 nan 0.000 0.458 869 N N 1.122 119.753 118.700 -0.114 0.000 2.043 869 N HA -0.217 4.523 4.740 -0.001 0.000 0.193 869 N C 1.980 177.394 175.510 -0.161 0.000 1.037 869 N CA 1.790 54.627 53.050 -0.355 0.000 0.851 869 N CB -0.364 37.695 38.487 -0.713 0.000 1.027 869 N HN 0.324 nan 8.380 nan 0.000 0.422 870 R N -0.176 120.262 120.500 -0.104 0.000 2.154 870 R HA -0.117 4.223 4.340 -0.001 0.000 0.248 870 R C 2.174 178.473 176.300 -0.002 0.000 1.155 870 R CA 1.270 57.340 56.100 -0.051 0.000 0.979 870 R CB -0.400 29.886 30.300 -0.023 0.000 0.869 870 R HN 0.418 nan 8.270 nan 0.000 0.452 871 I N -0.343 120.257 120.570 0.050 0.000 2.353 871 I HA -0.228 3.942 4.170 -0.001 0.000 0.248 871 I C 1.386 177.508 176.117 0.007 0.000 1.119 871 I CA 0.907 62.227 61.300 0.033 0.000 1.417 871 I CB -0.026 37.989 38.000 0.025 0.000 1.078 871 I HN 0.092 nan 8.210 nan 0.000 0.421 872 F N 1.752 121.612 119.950 -0.149 0.000 2.120 872 F HA -0.286 4.241 4.527 -0.001 0.000 0.300 872 F C 2.460 178.123 175.800 -0.228 0.000 1.095 872 F CA 1.747 59.628 58.000 -0.198 0.000 1.249 872 F CB -0.508 38.346 39.000 -0.244 0.000 0.995 872 F HN 0.170 nan 8.300 nan 0.000 0.480 873 E N -0.747 119.441 120.200 -0.020 0.000 2.047 873 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 873 E C 2.408 178.939 176.600 -0.114 0.000 0.987 873 E CA 0.669 57.021 56.400 -0.080 0.000 0.799 873 E CB -0.183 29.483 29.700 -0.056 0.000 0.752 873 E HN 0.185 nan 8.360 nan 0.000 0.449 874 R N 0.740 121.198 120.500 -0.069 0.000 2.062 874 R HA -0.023 4.317 4.340 -0.001 0.000 0.229 874 R C 2.065 178.346 176.300 -0.033 0.000 1.128 874 R CA 0.832 56.911 56.100 -0.036 0.000 0.960 874 R CB -0.428 29.882 30.300 0.016 0.000 0.855 874 R HN 0.091 nan 8.270 nan 0.000 0.432 875 V N -0.977 118.914 119.914 -0.039 0.000 4.168 875 V HA 0.008 4.128 4.120 -0.001 0.000 0.181 875 V C 2.199 178.199 176.094 -0.156 0.000 1.177 875 V CA 0.485 62.801 62.300 0.028 0.000 1.470 875 V CB -0.922 30.922 31.823 0.034 0.000 1.783 875 V HN -0.017 nan 8.190 nan 0.000 0.431 876 V N 0.973 120.744 119.914 -0.240 0.000 2.041 876 V HA -0.453 3.667 4.120 -0.001 0.000 0.153 876 V C 2.244 178.129 176.094 -0.348 0.000 1.458 876 V CA 2.696 64.746 62.300 -0.417 0.000 2.001 876 V CB -1.886 29.396 31.823 -0.902 0.000 1.116 876 V HN 0.926 nan 8.190 nan 0.000 0.557 877 G N -1.985 106.550 108.800 -0.441 0.000 2.591 877 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.218 877 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.218 877 G C 0.310 174.982 174.900 -0.380 0.000 1.113 877 G CA 0.986 45.789 45.100 -0.495 0.000 0.740 877 G HN 0.647 nan 8.290 nan 0.000 0.569 878 W N 0.472 121.726 121.300 -0.077 0.000 2.433 878 W HA 0.587 5.247 4.660 -0.001 0.000 0.288 878 W C -0.186 176.324 176.519 -0.015 0.000 0.986 878 W CA -0.958 56.367 57.345 -0.033 0.000 1.680 878 W CB 0.436 29.875 29.460 -0.035 0.000 1.615 878 W HN -0.173 nan 8.180 nan 0.000 0.416 879 K N 0.000 120.525 120.400 0.208 0.000 2.780 879 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 879 K CA 0.000 56.376 56.287 0.149 0.000 0.838 879 K CB 0.000 32.594 32.500 0.156 0.000 1.064 879 K HN 0.000 nan 8.250 nan 0.000 0.543