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 2h4m_1_A DATA FIRST_RESID 6 DATA SEQUENCE KPDEQGLQQI LQLLKESQSP DTTIQRTVQQ KXXXXXXXPD FNNYLIFVLT DATA SEQUENCE KLKSEDEPTR SLSGLILKNN VKXXFQNFPN GVTDFIKSEC LNNIGDSSPL DATA SEQUENCE IRATVGILIT TIASKGELQN WPDLLPKLCS LLDSEDYNTC EGAFGALQKI DATA SEQUENCE CEDSAEILDS DVLDRPLNIM IPKFLQFFKH SSPKIRSHAV ACVNQFIISR DATA SEQUENCE TQALMLHIDS FIENLFALAG DEEPEVRKNV CRALVMLLEV RMDRLLPHMH DATA SEQUENCE NIVEYMLQRT QDQDENVALE ACEFWLTLAE QPICKDVLVR HLPKLIPVLV DATA SEQUENCE NGMKYSDIDI ILLKXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXTISDWNL RKCSAAALDV LANVYRDELL PHILPLLKEL DATA SEQUENCE LFHHEWVVKE SGILVLGAIA EGCMQGMIPY LPELIPHLIQ CLSDKKALVR DATA SEQUENCE SITCWTLSRY AHWVVSQPPD TYLKPLMTEL LKRILDSNKR VQEAACSAFA DATA SEQUENCE TLEEEACTEL VPYLAYILDT LVFAFSKYQH KNLLILYDAI GTLADSVGHH DATA SEQUENCE LNKPEYIQML MPPLIQKWNM LKDEDKDLFP LLECLSSVAT ALQSGFLPYC DATA SEQUENCE EPVYQRCVNL VQKTLAQAML NNAQPDQYEA PDKDFMIVAL DLLSGLAEGL DATA SEQUENCE GGNIEQLVAR SNILTLMYQC MQDKMPEVRQ SSFALLGDLT KACFQHVKPC DATA SEQUENCE IADFMPILGT NLNPEFISVC NNATWAIGEI SIQMGIEMQP YIPMVLHQLV DATA SEQUENCE EIINRPNTPK TLLENTAITI GRLGYVCPQE VAPMLQQFIR PWCTSLRNIR DATA SEQUENCE DNEEKDSAFR GICTMISVNP SGVIQDFIFF CDAVASWINP KDDLRDMFCK DATA SEQUENCE ILHGFKNQVG DENWRRFSDQ FPLPLKERLA AFYGV 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.601 176.600 0.002 0.000 0.988 6 K CA 0.000 56.289 56.287 0.003 0.000 0.838 6 K CB 0.000 32.503 32.500 0.004 0.000 1.064 7 P HA 0.310 nan 4.420 nan 0.000 0.208 7 P C 1.327 178.628 177.300 0.000 0.000 1.107 7 P CA 2.057 65.157 63.100 -0.001 0.000 0.928 7 P CB 0.390 32.088 31.700 -0.003 0.000 0.778 8 D N -1.232 119.168 120.400 0.000 0.000 2.213 8 D HA 0.155 4.796 4.640 0.001 0.000 0.205 8 D C 1.961 178.265 176.300 0.006 0.000 0.961 8 D CA 1.808 55.809 54.000 0.002 0.000 0.853 8 D CB -0.609 40.192 40.800 0.001 0.000 0.967 8 D HN 0.536 nan 8.370 nan 0.000 0.496 9 E N -0.749 119.456 120.200 0.008 0.000 2.051 9 E HA 0.037 4.387 4.350 0.001 0.000 0.189 9 E C 2.446 179.052 176.600 0.011 0.000 0.979 9 E CA 1.740 58.148 56.400 0.013 0.000 0.803 9 E CB -1.453 28.257 29.700 0.016 0.000 0.761 9 E HN 0.783 nan 8.360 nan 0.000 0.451 10 Q N 0.125 119.930 119.800 0.008 0.000 2.364 10 Q HA 0.246 4.586 4.340 0.001 0.000 0.207 10 Q C 2.484 178.488 176.000 0.006 0.000 0.970 10 Q CA 1.605 57.412 55.803 0.007 0.000 0.888 10 Q CB -0.732 28.009 28.738 0.005 0.000 0.951 10 Q HN 0.676 nan 8.270 nan 0.000 0.469 11 G N -0.454 108.349 108.800 0.005 0.000 2.459 11 G HA2 0.229 4.189 3.960 0.001 0.000 0.213 11 G HA3 0.229 4.189 3.960 0.001 0.000 0.213 11 G C 1.669 176.572 174.900 0.005 0.000 1.155 11 G CA 1.184 46.287 45.100 0.004 0.000 0.811 11 G HN 1.048 nan 8.290 nan 0.000 0.534 12 L N -0.195 121.032 121.223 0.007 0.000 2.313 12 L HA 0.478 4.818 4.340 0.001 0.000 0.214 12 L C 2.805 179.680 176.870 0.008 0.000 1.119 12 L CA 2.146 56.991 54.840 0.008 0.000 0.809 12 L CB -1.795 40.270 42.059 0.010 0.000 0.933 12 L HN 0.500 nan 8.230 nan 0.000 0.449 13 Q N -0.814 118.991 119.800 0.009 0.000 2.369 13 Q HA 0.058 4.399 4.340 0.001 0.000 0.206 13 Q C 1.990 177.995 176.000 0.007 0.000 0.963 13 Q CA 2.058 57.866 55.803 0.009 0.000 0.894 13 Q CB -0.901 27.843 28.738 0.010 0.000 0.965 13 Q HN 1.080 nan 8.270 nan 0.000 0.475 14 Q N -1.211 118.593 119.800 0.006 0.000 2.352 14 Q HA 0.551 4.891 4.340 0.001 0.000 0.212 14 Q C 2.166 178.168 176.000 0.004 0.000 0.888 14 Q CA 0.994 56.800 55.803 0.005 0.000 0.934 14 Q CB -0.530 28.211 28.738 0.004 0.000 1.093 14 Q HN 1.286 nan 8.270 nan 0.000 0.523 15 I N -0.779 119.793 120.570 0.004 0.000 3.059 15 I HA 0.501 4.672 4.170 0.001 0.000 0.270 15 I C 2.555 178.674 176.117 0.004 0.000 1.238 15 I CA 1.597 62.899 61.300 0.004 0.000 1.478 15 I CB -0.953 37.050 38.000 0.004 0.000 1.097 15 I HN 0.688 nan 8.210 nan 0.000 0.455 16 L N -1.138 120.088 121.223 0.004 0.000 2.408 16 L HA 0.351 4.691 4.340 0.001 0.000 0.215 16 L C 2.498 179.370 176.870 0.004 0.000 1.081 16 L CA 1.797 56.639 54.840 0.004 0.000 0.840 16 L CB -1.709 40.353 42.059 0.005 0.000 1.002 16 L HN 0.722 nan 8.230 nan 0.000 0.468 17 Q N -0.251 119.552 119.800 0.004 0.000 2.167 17 Q HA 0.145 4.485 4.340 0.001 0.000 0.202 17 Q C 2.297 178.299 176.000 0.003 0.000 0.970 17 Q CA 2.819 58.624 55.803 0.004 0.000 0.855 17 Q CB -1.294 27.447 28.738 0.005 0.000 0.911 17 Q HN 1.477 nan 8.270 nan 0.000 0.438 18 L N -0.718 120.507 121.223 0.003 0.000 2.307 18 L HA 0.570 4.910 4.340 0.001 0.000 0.211 18 L C 3.068 179.939 176.870 0.002 0.000 1.099 18 L CA 1.593 56.435 54.840 0.002 0.000 0.816 18 L CB -1.656 40.404 42.059 0.002 0.000 0.952 18 L HN 0.878 nan 8.230 nan 0.000 0.455 19 L N -0.396 120.828 121.223 0.002 0.000 2.191 19 L HA 0.067 4.407 4.340 0.001 0.000 0.212 19 L C 3.002 179.873 176.870 0.002 0.000 1.103 19 L CA 3.008 57.849 54.840 0.002 0.000 0.769 19 L CB -2.222 39.838 42.059 0.002 0.000 0.908 19 L HN 0.752 nan 8.230 nan 0.000 0.438 20 K N 0.595 120.996 120.400 0.002 0.000 1.984 20 K HA 0.083 4.403 4.320 0.001 0.000 0.209 20 K C 1.664 178.265 176.600 0.002 0.000 1.046 20 K CA 1.373 57.661 56.287 0.002 0.000 0.934 20 K CB -1.564 30.938 32.500 0.003 0.000 0.717 20 K HN 1.245 nan 8.250 nan 0.000 0.438 21 E N 1.090 121.292 120.200 0.002 0.000 1.909 21 E HA 0.456 4.807 4.350 0.001 0.000 0.253 21 E C 0.312 176.913 176.600 0.001 0.000 1.268 21 E CA 0.235 56.636 56.400 0.002 0.000 0.999 21 E CB -1.552 28.149 29.700 0.002 0.000 1.072 21 E HN 0.872 nan 8.360 nan 0.000 0.428 22 S N 1.343 117.044 115.700 0.001 0.000 2.409 22 S HA 0.561 5.032 4.470 0.001 0.000 0.308 22 S C 0.789 175.389 174.600 0.000 0.000 1.080 22 S CA 0.175 58.376 58.200 0.001 0.000 1.081 22 S CB 0.182 63.383 63.200 0.000 0.000 1.009 22 S HN 1.021 nan 8.310 nan 0.000 0.502 23 Q N 1.458 121.258 119.800 0.000 0.000 3.052 23 Q HA 0.770 5.111 4.340 0.001 0.000 0.218 23 Q C 1.895 177.895 176.000 -0.000 0.000 1.162 23 Q CA 0.745 56.548 55.803 0.000 0.000 0.379 23 Q CB -1.138 27.601 28.738 0.000 0.000 5.651 23 Q HN 1.237 nan 8.270 nan 0.000 0.323 24 S N -0.200 115.500 115.700 -0.000 0.000 2.492 24 S HA 0.426 4.896 4.470 0.001 0.000 0.218 24 S C 0.813 175.412 174.600 -0.000 0.000 1.016 24 S CA 1.349 59.549 58.200 -0.000 0.000 0.916 24 S CB -1.165 62.034 63.200 -0.000 0.000 0.791 24 S HN 0.809 nan 8.310 nan 0.000 0.513 25 P HA 0.138 nan 4.420 nan 0.000 0.211 25 P C 1.394 178.694 177.300 -0.000 0.000 1.191 25 P CA 1.925 65.025 63.100 -0.000 0.000 0.909 25 P CB -0.661 31.039 31.700 0.000 0.000 0.770 26 D N -2.278 118.122 120.400 0.000 0.000 2.310 26 D HA 0.108 4.749 4.640 0.001 0.000 0.212 26 D C 1.866 178.166 176.300 0.000 0.000 0.965 26 D CA 2.145 56.145 54.000 0.000 0.000 0.879 26 D CB -1.398 39.402 40.800 0.001 0.000 0.921 26 D HN 0.533 nan 8.370 nan 0.000 0.510 27 T N -2.598 111.956 114.554 -0.000 0.000 3.072 27 T HA 0.345 4.696 4.350 0.001 0.000 0.266 27 T C 2.063 176.763 174.700 -0.001 0.000 1.127 27 T CA 2.440 64.540 62.100 -0.000 0.000 1.107 27 T CB -0.370 68.498 68.868 -0.001 0.000 0.910 27 T HN 0.529 nan 8.240 nan 0.000 0.513 28 T N -1.152 113.402 114.554 -0.001 0.000 2.980 28 T HA 0.583 4.934 4.350 0.001 0.000 0.252 28 T C 2.190 176.889 174.700 -0.001 0.000 0.962 28 T CA 1.068 63.168 62.100 -0.001 0.000 0.932 28 T CB -0.401 68.466 68.868 -0.001 0.000 1.188 28 T HN 0.359 nan 8.240 nan 0.000 0.500 29 I N 1.281 121.850 120.570 -0.001 0.000 2.270 29 I HA 0.419 4.589 4.170 0.001 0.000 0.239 29 I C 2.803 178.920 176.117 -0.000 0.000 1.080 29 I CA 2.156 63.456 61.300 -0.000 0.000 1.383 29 I CB -1.576 36.423 38.000 -0.000 0.000 1.097 29 I HN 0.540 nan 8.210 nan 0.000 0.420 30 Q N 0.478 120.278 119.800 0.000 0.000 2.230 30 Q HA -0.052 4.289 4.340 0.001 0.000 0.202 30 Q C 2.511 178.511 176.000 0.000 0.000 0.963 30 Q CA 2.435 58.239 55.803 0.000 0.000 0.866 30 Q CB -1.296 27.443 28.738 0.001 0.000 0.931 30 Q HN 0.987 nan 8.270 nan 0.000 0.452 31 R N 0.131 120.631 120.500 -0.000 0.000 2.092 31 R HA 0.079 4.419 4.340 0.001 0.000 0.231 31 R C 2.551 178.850 176.300 -0.001 0.000 1.119 31 R CA 2.428 58.527 56.100 -0.000 0.000 0.970 31 R CB -1.766 28.534 30.300 -0.001 0.000 0.864 31 R HN 0.816 nan 8.270 nan 0.000 0.440 32 T N -0.645 113.909 114.554 -0.001 0.000 3.067 32 T HA 0.481 4.831 4.350 0.001 0.000 0.257 32 T C 2.364 177.063 174.700 -0.001 0.000 1.105 32 T CA 1.315 63.414 62.100 -0.001 0.000 1.104 32 T CB -0.239 68.628 68.868 -0.002 0.000 0.925 32 T HN 0.520 nan 8.240 nan 0.000 0.498 33 V N 0.837 120.750 119.914 -0.001 0.000 2.379 33 V HA 0.153 4.274 4.120 0.001 0.000 0.245 33 V C 2.706 178.800 176.094 -0.000 0.000 1.044 33 V CA 2.703 65.003 62.300 -0.000 0.000 1.036 33 V CB -1.479 30.344 31.823 0.000 0.000 0.664 33 V HN 0.609 nan 8.190 nan 0.000 0.453 34 Q N -0.564 119.237 119.800 0.000 0.000 2.230 34 Q HA 0.027 4.367 4.340 0.001 0.000 0.202 34 Q C 1.985 177.985 176.000 -0.000 0.000 0.963 34 Q CA 1.821 57.625 55.803 0.001 0.000 0.866 34 Q CB -1.062 27.677 28.738 0.001 0.000 0.931 34 Q HN 1.245 nan 8.270 nan 0.000 0.452 35 Q N -0.187 119.613 119.800 -0.001 0.000 2.265 35 Q HA 0.539 4.880 4.340 0.001 0.000 0.217 35 Q C 0.807 176.806 176.000 -0.002 0.000 0.916 35 Q CA 0.935 56.737 55.803 -0.002 0.000 0.948 35 Q CB -1.164 27.573 28.738 -0.002 0.000 1.020 35 Q HN 1.015 nan 8.270 nan 0.000 0.462 45 D N -1.986 118.424 120.400 0.017 0.000 2.263 45 D HA -0.063 4.578 4.640 0.001 0.000 0.193 45 D C 2.197 178.521 176.300 0.040 0.000 1.013 45 D CA 3.624 57.633 54.000 0.016 0.000 0.892 45 D CB -1.380 39.423 40.800 0.005 0.000 0.909 45 D HN 1.281 nan 8.370 nan 0.000 0.449 46 F N 0.566 120.562 119.950 0.077 0.000 2.113 46 F HA 0.156 4.684 4.527 0.001 0.000 0.297 46 F C 3.003 178.908 175.800 0.174 0.000 1.103 46 F CA 2.573 60.675 58.000 0.171 0.000 1.248 46 F CB -1.477 37.620 39.000 0.161 0.000 0.999 46 F HN 0.714 nan 8.300 nan 0.000 0.475 47 N N 0.823 119.584 118.700 0.102 0.000 2.270 47 N HA -0.121 4.620 4.740 0.001 0.000 0.181 47 N C 1.836 177.382 175.510 0.059 0.000 1.016 47 N CA 2.211 55.312 53.050 0.084 0.000 0.870 47 N CB -2.088 36.429 38.487 0.049 0.000 0.979 47 N HN 0.891 nan 8.380 nan 0.000 0.431 48 N N -0.702 118.021 118.700 0.038 0.000 2.120 48 N HA -0.117 4.624 4.740 0.001 0.000 0.188 48 N C 2.201 177.712 175.510 0.002 0.000 1.024 48 N CA 2.449 55.509 53.050 0.016 0.000 0.852 48 N CB -1.583 36.909 38.487 0.007 0.000 1.003 48 N HN 0.967 nan 8.380 nan 0.000 0.424 49 Y N -0.292 120.001 120.300 -0.012 0.000 2.373 49 Y HA 0.396 4.946 4.550 0.001 0.000 0.293 49 Y C 3.357 179.221 175.900 -0.059 0.000 1.129 49 Y CA 1.847 59.902 58.100 -0.075 0.000 1.226 49 Y CB -1.171 37.181 38.460 -0.179 0.000 1.000 49 Y HN 0.699 nan 8.280 nan 0.000 0.549 50 L N 0.460 121.708 121.223 0.041 0.000 2.109 50 L HA 0.097 4.438 4.340 0.001 0.000 0.207 50 L C 2.803 179.702 176.870 0.049 0.000 1.086 50 L CA 2.408 57.306 54.840 0.096 0.000 0.760 50 L CB -1.986 40.175 42.059 0.170 0.000 0.910 50 L HN 0.899 nan 8.230 nan 0.000 0.437 51 I N -1.603 118.986 120.570 0.032 0.000 2.252 51 I HA 0.089 4.259 4.170 0.001 0.000 0.245 51 I C 2.878 179.000 176.117 0.009 0.000 1.102 51 I CA 2.603 63.916 61.300 0.021 0.000 1.385 51 I CB -1.778 36.232 38.000 0.017 0.000 1.064 51 I HN 0.753 nan 8.210 nan 0.000 0.414 52 F N 0.306 120.254 119.950 -0.003 0.000 2.259 52 F HA 0.290 4.817 4.527 0.001 0.000 0.298 52 F C 2.495 178.287 175.800 -0.012 0.000 1.088 52 F CA 2.285 60.279 58.000 -0.010 0.000 1.358 52 F CB -0.905 38.084 39.000 -0.019 0.000 1.040 52 F HN 0.587 nan 8.300 nan 0.000 0.505 53 V N -0.768 119.133 119.914 -0.021 0.000 3.085 53 V HA 0.364 4.484 4.120 0.001 0.000 0.245 53 V C 2.279 178.375 176.094 0.003 0.000 1.114 53 V CA 1.821 64.107 62.300 -0.022 0.000 1.108 53 V CB -0.260 31.525 31.823 -0.063 0.000 0.798 53 V HN 0.843 nan 8.190 nan 0.000 0.471 54 L N -1.418 119.817 121.223 0.019 0.000 2.347 54 L HA 0.533 4.873 4.340 0.001 0.000 0.196 54 L C 2.600 179.487 176.870 0.028 0.000 1.072 54 L CA 2.277 57.138 54.840 0.035 0.000 0.817 54 L CB -1.501 40.595 42.059 0.061 0.000 1.029 54 L HN 0.517 nan 8.230 nan 0.000 0.478 55 T N -0.566 114.004 114.554 0.027 0.000 2.951 55 T HA 0.110 4.460 4.350 0.001 0.000 0.268 55 T C 2.040 176.750 174.700 0.017 0.000 1.073 55 T CA 1.960 64.073 62.100 0.022 0.000 1.134 55 T CB -0.670 68.211 68.868 0.022 0.000 0.884 55 T HN 0.794 nan 8.240 nan 0.000 0.479 56 K N 0.763 121.172 120.400 0.014 0.000 2.687 56 K HA 0.631 4.951 4.320 0.001 0.000 0.197 56 K C 1.200 177.808 176.600 0.013 0.000 1.018 56 K CA 0.822 57.116 56.287 0.012 0.000 1.035 56 K CB -2.131 30.374 32.500 0.009 0.000 0.834 56 K HN 0.856 nan 8.250 nan 0.000 0.496 57 L N -0.818 120.414 121.223 0.015 0.000 2.859 57 L HA 0.736 5.076 4.340 0.001 0.000 0.181 57 L C 2.507 179.385 176.870 0.013 0.000 1.196 57 L CA 0.722 55.571 54.840 0.015 0.000 1.062 57 L CB -1.300 40.768 42.059 0.016 0.000 1.961 57 L HN 0.453 nan 8.230 nan 0.000 0.507 58 K N -0.600 119.808 120.400 0.013 0.000 2.113 58 K HA -0.105 4.216 4.320 0.001 0.000 0.208 58 K C 2.598 179.204 176.600 0.011 0.000 1.047 58 K CA 3.010 59.303 56.287 0.012 0.000 0.928 58 K CB -1.937 30.569 32.500 0.011 0.000 0.716 58 K HN 1.829 nan 8.250 nan 0.000 0.446 59 S N 0.286 115.993 115.700 0.012 0.000 2.387 59 S HA 0.192 4.662 4.470 0.001 0.000 0.230 59 S C 1.364 175.971 174.600 0.011 0.000 1.035 59 S CA 2.087 60.294 58.200 0.011 0.000 1.014 59 S CB -0.329 62.879 63.200 0.013 0.000 0.836 59 S HN 1.104 nan 8.310 nan 0.000 0.466 60 E N -0.718 119.488 120.200 0.011 0.000 2.410 60 E HA 0.563 4.914 4.350 0.001 0.000 0.269 60 E C -0.761 175.845 176.600 0.009 0.000 0.937 60 E CA -0.147 56.258 56.400 0.010 0.000 0.793 60 E CB -0.047 29.659 29.700 0.010 0.000 1.314 60 E HN 0.714 nan 8.360 nan 0.000 0.447 61 D N -0.097 120.308 120.400 0.008 0.000 2.345 61 D HA 0.316 4.957 4.640 0.001 0.000 0.247 61 D C 0.768 177.073 176.300 0.008 0.000 1.108 61 D CA 0.374 54.379 54.000 0.008 0.000 0.894 61 D CB 0.366 41.170 40.800 0.007 0.000 1.203 61 D HN 0.617 nan 8.370 nan 0.000 0.430 62 E N 0.496 120.701 120.200 0.009 0.000 2.070 62 E HA -0.161 4.189 4.350 0.001 0.000 0.197 62 E C -0.339 176.266 176.600 0.008 0.000 1.004 62 E CA 1.709 58.114 56.400 0.009 0.000 0.805 62 E CB -0.564 29.142 29.700 0.010 0.000 0.744 62 E HN 0.533 nan 8.360 nan 0.000 0.451 63 P HA -0.159 nan 4.420 nan 0.000 0.216 63 P C 1.204 178.508 177.300 0.006 0.000 1.150 63 P CA 1.557 64.661 63.100 0.006 0.000 0.837 63 P CB -0.087 31.616 31.700 0.006 0.000 0.786 64 T N -0.508 114.050 114.554 0.006 0.000 2.770 64 T HA -0.107 4.243 4.350 0.001 0.000 0.263 64 T C 2.379 177.083 174.700 0.006 0.000 1.039 64 T CA 2.095 64.199 62.100 0.006 0.000 1.142 64 T CB -1.020 67.852 68.868 0.006 0.000 0.868 64 T HN 0.153 nan 8.240 nan 0.000 0.435 65 R N 1.703 122.207 120.500 0.006 0.000 2.081 65 R HA -0.041 4.300 4.340 0.001 0.000 0.235 65 R C 2.664 178.966 176.300 0.004 0.000 1.131 65 R CA 2.181 58.285 56.100 0.006 0.000 0.960 65 R CB -1.647 28.658 30.300 0.007 0.000 0.856 65 R HN 0.637 nan 8.270 nan 0.000 0.436 66 S N -0.223 115.479 115.700 0.004 0.000 2.461 66 S HA -0.014 4.456 4.470 0.001 0.000 0.228 66 S C 2.067 176.669 174.600 0.003 0.000 1.005 66 S CA 1.151 59.353 58.200 0.003 0.000 0.942 66 S CB -0.061 63.142 63.200 0.005 0.000 0.776 66 S HN 0.410 nan 8.310 nan 0.000 0.514 67 L N 2.945 124.170 121.223 0.003 0.000 2.044 67 L HA 0.051 4.392 4.340 0.001 0.000 0.205 67 L C 2.629 179.500 176.870 0.002 0.000 1.075 67 L CA 2.223 57.065 54.840 0.003 0.000 0.747 67 L CB -1.233 40.828 42.059 0.003 0.000 0.903 67 L HN 0.559 nan 8.230 nan 0.000 0.435 68 S N -1.032 114.669 115.700 0.002 0.000 2.383 68 S HA -0.116 4.355 4.470 0.001 0.000 0.229 68 S C 2.111 176.710 174.600 -0.002 0.000 1.030 68 S CA 0.895 59.096 58.200 0.002 0.000 1.002 68 S CB -1.655 61.548 63.200 0.004 0.000 0.829 68 S HN 0.484 nan 8.310 nan 0.000 0.467 69 G N 1.380 110.177 108.800 -0.004 0.000 2.432 69 G HA2 0.006 3.966 3.960 0.001 0.000 0.219 69 G HA3 0.006 3.966 3.960 0.001 0.000 0.219 69 G C 1.391 176.289 174.900 -0.004 0.000 1.135 69 G CA 0.744 45.840 45.100 -0.008 0.000 0.767 69 G HN 0.516 nan 8.290 nan 0.000 0.550 70 L N 0.316 121.539 121.223 -0.001 0.000 2.307 70 L HA 0.166 4.507 4.340 0.001 0.000 0.211 70 L C 2.535 179.405 176.870 0.001 0.000 1.099 70 L CA -0.056 54.784 54.840 0.001 0.000 0.816 70 L CB -0.034 42.026 42.059 0.002 0.000 0.952 70 L HN 0.083 nan 8.230 nan 0.000 0.455 71 I N -0.410 120.160 120.570 0.000 0.000 2.252 71 I HA -0.248 3.922 4.170 0.001 0.000 0.245 71 I C 2.483 178.599 176.117 -0.001 0.000 1.102 71 I CA 1.192 62.492 61.300 -0.000 0.000 1.385 71 I CB -0.816 37.185 38.000 0.001 0.000 1.064 71 I HN 0.257 nan 8.210 nan 0.000 0.414 72 L N 1.648 122.869 121.223 -0.003 0.000 2.042 72 L HA -0.216 4.124 4.340 0.001 0.000 0.210 72 L C 2.529 179.396 176.870 -0.006 0.000 1.076 72 L CA 1.976 56.812 54.840 -0.007 0.000 0.749 72 L CB -0.946 41.105 42.059 -0.014 0.000 0.893 72 L HN 0.144 nan 8.230 nan 0.000 0.432 73 K N -0.392 120.006 120.400 -0.002 0.000 2.103 73 K HA -0.205 4.115 4.320 0.001 0.000 0.207 73 K C 1.723 178.325 176.600 0.003 0.000 1.048 73 K CA 1.729 58.018 56.287 0.003 0.000 0.930 73 K CB -0.263 32.241 32.500 0.006 0.000 0.716 73 K HN 0.538 nan 8.250 nan 0.000 0.444 74 N N 0.973 119.673 118.700 0.001 0.000 2.250 74 N HA -0.070 4.670 4.740 0.001 0.000 0.181 74 N C 1.495 177.005 175.510 -0.000 0.000 1.017 74 N CA 0.826 53.876 53.050 0.001 0.000 0.866 74 N CB -0.404 38.083 38.487 0.000 0.000 0.985 74 N HN 0.376 nan 8.380 nan 0.000 0.429 75 N N 0.634 119.333 118.700 -0.002 0.000 2.061 75 N HA -0.098 4.642 4.740 0.001 0.000 0.193 75 N C 0.146 175.653 175.510 -0.004 0.000 1.030 75 N CA 0.605 53.653 53.050 -0.004 0.000 0.856 75 N CB 0.066 38.550 38.487 -0.005 0.000 1.023 75 N HN -0.063 nan 8.380 nan 0.000 0.424 76 V N 2.158 122.069 119.914 -0.005 0.000 2.356 76 V HA 0.358 4.478 4.120 0.001 0.000 0.244 76 V C 0.493 176.589 176.094 0.003 0.000 1.120 76 V CA 0.620 62.919 62.300 -0.003 0.000 1.181 76 V CB -1.061 30.762 31.823 -0.001 0.000 1.244 76 V HN 0.493 nan 8.190 nan 0.000 0.487 81 Q N 1.454 121.249 119.800 -0.009 0.000 2.369 81 Q HA 0.068 4.408 4.340 0.001 0.000 0.206 81 Q C 1.660 177.652 176.000 -0.013 0.000 0.963 81 Q CA 2.507 58.304 55.803 -0.011 0.000 0.894 81 Q CB -2.268 26.464 28.738 -0.009 0.000 0.965 81 Q HN 1.846 nan 8.270 nan 0.000 0.475 82 N N -0.917 117.775 118.700 -0.014 0.000 2.173 82 N HA 0.079 4.819 4.740 0.001 0.000 0.184 82 N C 2.060 177.553 175.510 -0.028 0.000 1.025 82 N CA 1.994 55.033 53.050 -0.018 0.000 0.852 82 N CB -0.973 37.504 38.487 -0.016 0.000 0.998 82 N HN 0.952 nan 8.380 nan 0.000 0.427 83 F N 0.251 120.184 119.950 -0.029 0.000 2.293 83 F HA 0.479 5.006 4.527 0.001 0.000 0.297 83 F C 1.225 177.000 175.800 -0.041 0.000 1.089 83 F CA 1.429 59.404 58.000 -0.042 0.000 1.377 83 F CB -1.425 37.557 39.000 -0.030 0.000 1.051 83 F HN 0.559 nan 8.300 nan 0.000 0.511 84 P HA 0.167 nan 4.420 nan 0.000 0.229 84 P C 0.651 177.936 177.300 -0.025 0.000 1.160 84 P CA 1.465 64.551 63.100 -0.023 0.000 0.777 84 P CB -1.555 30.136 31.700 -0.014 0.000 0.814 85 N N -0.870 117.814 118.700 -0.026 0.000 2.371 85 N HA 0.351 5.091 4.740 0.001 0.000 0.243 85 N C 1.609 177.102 175.510 -0.028 0.000 1.287 85 N CA 0.225 53.261 53.050 -0.023 0.000 0.911 85 N CB -0.214 38.262 38.487 -0.018 0.000 1.142 85 N HN 0.176 nan 8.380 nan 0.000 0.451 86 G N -1.658 107.129 108.800 -0.022 0.000 2.777 86 G HA2 0.311 4.271 3.960 0.001 0.000 0.211 86 G HA3 0.311 4.271 3.960 0.001 0.000 0.211 86 G C 1.453 176.346 174.900 -0.012 0.000 1.149 86 G CA 1.368 46.455 45.100 -0.022 0.000 0.785 86 G HN 1.218 nan 8.290 nan 0.000 0.536 87 V N 0.364 120.278 119.914 -0.000 0.000 3.306 87 V HA 0.319 4.440 4.120 0.001 0.000 0.264 87 V C 2.666 178.787 176.094 0.045 0.000 1.149 87 V CA 2.439 64.763 62.300 0.041 0.000 1.143 87 V CB -1.138 30.710 31.823 0.042 0.000 0.767 87 V HN 0.332 nan 8.190 nan 0.000 0.476 88 T N -0.323 114.216 114.554 -0.024 0.000 2.803 88 T HA -0.127 4.223 4.350 0.001 0.000 0.269 88 T C 1.765 176.374 174.700 -0.152 0.000 1.052 88 T CA 2.511 64.555 62.100 -0.092 0.000 1.136 88 T CB -0.817 67.983 68.868 -0.114 0.000 0.864 88 T HN 0.756 nan 8.240 nan 0.000 0.467 89 D N -0.116 120.223 120.400 -0.101 0.000 2.264 89 D HA 0.118 4.758 4.640 0.001 0.000 0.208 89 D C 1.773 178.056 176.300 -0.027 0.000 0.966 89 D CA 1.124 55.054 54.000 -0.117 0.000 0.864 89 D CB -0.557 40.207 40.800 -0.061 0.000 0.933 89 D HN 0.567 nan 8.370 nan 0.000 0.499 90 F N 0.797 120.678 119.950 -0.116 0.000 2.149 90 F HA 0.102 4.629 4.527 -0.001 0.000 0.294 90 F C 2.165 177.914 175.800 -0.084 0.000 1.095 90 F CA 0.640 58.592 58.000 -0.080 0.000 1.276 90 F CB -0.299 38.667 39.000 -0.057 0.000 1.023 90 F HN 0.151 nan 8.300 nan 0.000 0.480 91 I N 0.772 121.153 120.570 -0.315 0.000 2.118 91 I HA -0.365 3.806 4.170 0.001 0.000 0.241 91 I C 2.434 178.355 176.117 -0.326 0.000 1.070 91 I CA 1.748 62.821 61.300 -0.378 0.000 1.327 91 I CB -0.719 37.147 38.000 -0.223 0.000 1.034 91 I HN 0.054 nan 8.210 nan 0.000 0.405 92 K N 0.370 120.545 120.400 -0.374 0.000 2.063 92 K HA -0.203 4.118 4.320 0.001 0.000 0.208 92 K C 2.402 178.922 176.600 -0.133 0.000 1.048 92 K CA 1.880 57.858 56.287 -0.515 0.000 0.928 92 K CB -0.360 31.470 32.500 -1.117 0.000 0.713 92 K HN 0.290 nan 8.250 nan 0.000 0.442 93 S N 1.145 116.772 115.700 -0.121 0.000 2.368 93 S HA -0.187 4.283 4.470 0.001 0.000 0.225 93 S C 1.987 176.569 174.600 -0.031 0.000 1.030 93 S CA 1.516 59.712 58.200 -0.006 0.000 0.999 93 S CB -0.085 63.133 63.200 0.029 0.000 0.844 93 S HN 0.208 nan 8.310 nan 0.000 0.459 94 E N 0.455 120.551 120.200 -0.173 0.000 2.150 94 E HA -0.026 4.324 4.350 0.001 0.000 0.193 94 E C 2.152 178.698 176.600 -0.091 0.000 0.985 94 E CA 1.102 57.380 56.400 -0.202 0.000 0.814 94 E CB -0.798 28.614 29.700 -0.480 0.000 0.752 94 E HN 0.615 nan 8.360 nan 0.000 0.466 95 C N -0.261 119.013 119.300 -0.043 0.000 2.442 95 C HA -0.081 4.380 4.460 0.001 0.000 0.279 95 C C 2.517 177.546 174.990 0.066 0.000 1.237 95 C CA 0.737 59.779 59.018 0.040 0.000 1.722 95 C CB -1.099 26.730 27.740 0.147 0.000 2.056 95 C HN 0.426 nan 8.230 nan 0.000 0.469 96 L N 1.382 122.675 121.223 0.118 0.000 2.362 96 L HA -0.094 4.246 4.340 0.001 0.000 0.219 96 L C 1.995 178.889 176.870 0.040 0.000 1.134 96 L CA 0.878 55.767 54.840 0.081 0.000 0.807 96 L CB -0.691 41.442 42.059 0.124 0.000 0.927 96 L HN 0.471 nan 8.230 nan 0.000 0.447 97 N N 1.151 119.871 118.700 0.032 0.000 2.331 97 N HA -0.096 4.644 4.740 0.001 0.000 0.180 97 N C 0.357 175.875 175.510 0.013 0.000 1.019 97 N CA 0.950 54.013 53.050 0.021 0.000 0.881 97 N CB -0.183 38.314 38.487 0.017 0.000 0.972 97 N HN 0.643 nan 8.380 nan 0.000 0.435 98 N N -0.257 118.447 118.700 0.008 0.000 2.687 98 N HA 0.253 4.993 4.740 0.001 0.000 0.275 98 N C 0.066 175.577 175.510 0.002 0.000 1.789 98 N CA -0.062 52.991 53.050 0.005 0.000 0.806 98 N CB 0.365 38.854 38.487 0.004 0.000 1.256 98 N HN -0.014 nan 8.380 nan 0.000 0.500 99 I N -0.562 120.006 120.570 -0.003 0.000 2.876 99 I HA 0.070 4.241 4.170 0.001 0.000 0.264 99 I C 1.648 177.755 176.117 -0.017 0.000 1.204 99 I CA 0.837 62.128 61.300 -0.015 0.000 1.485 99 I CB 0.105 38.084 38.000 -0.035 0.000 1.103 99 I HN 0.428 nan 8.210 nan 0.000 0.446 100 G N 0.837 109.632 108.800 -0.009 0.000 3.959 100 G HA2 0.062 4.022 3.960 0.001 0.000 0.298 100 G HA3 0.062 4.022 3.960 0.001 0.000 0.298 100 G C -0.360 174.550 174.900 0.017 0.000 1.211 100 G CA -0.286 44.813 45.100 -0.001 0.000 1.001 100 G HN 0.102 nan 8.290 nan 0.000 0.561 101 D N 0.550 120.959 120.400 0.015 0.000 2.455 101 D HA 0.097 4.738 4.640 0.001 0.000 0.241 101 D C 2.023 178.342 176.300 0.032 0.000 1.138 101 D CA 0.535 54.548 54.000 0.021 0.000 0.877 101 D CB 1.165 41.974 40.800 0.016 0.000 1.187 101 D HN 0.151 nan 8.370 nan 0.000 0.451 102 S N 1.230 116.951 115.700 0.035 0.000 2.447 102 S HA -0.084 4.386 4.470 0.001 0.000 0.233 102 S C 1.036 175.661 174.600 0.041 0.000 1.006 102 S CA 0.041 58.267 58.200 0.044 0.000 0.957 102 S CB 0.051 63.275 63.200 0.040 0.000 0.773 102 S HN 0.245 nan 8.310 nan 0.000 0.507 103 S N 3.634 119.353 115.700 0.032 0.000 2.400 103 S HA 0.353 4.824 4.470 0.001 0.000 0.295 103 S C -1.651 172.967 174.600 0.030 0.000 1.113 103 S CA -1.438 56.780 58.200 0.028 0.000 1.064 103 S CB 1.132 64.345 63.200 0.022 0.000 0.990 103 S HN 0.203 nan 8.310 nan 0.000 0.502 104 P HA -0.162 nan 4.420 nan 0.000 0.217 104 P C 1.481 178.797 177.300 0.027 0.000 1.151 104 P CA 0.596 63.718 63.100 0.037 0.000 0.849 104 P CB 0.157 31.881 31.700 0.040 0.000 0.787 105 L N -0.973 120.263 121.223 0.022 0.000 2.017 105 L HA -0.133 4.208 4.340 0.001 0.000 0.208 105 L C 2.222 179.100 176.870 0.014 0.000 1.073 105 L CA 1.798 56.648 54.840 0.016 0.000 0.745 105 L CB -1.040 41.027 42.059 0.014 0.000 0.894 105 L HN -0.129 nan 8.230 nan 0.000 0.432 106 I N -0.889 119.689 120.570 0.014 0.000 2.252 106 I HA -0.268 3.902 4.170 0.001 0.000 0.245 106 I C 2.690 178.812 176.117 0.009 0.000 1.102 106 I CA 1.275 62.581 61.300 0.010 0.000 1.385 106 I CB -0.381 37.624 38.000 0.009 0.000 1.064 106 I HN 0.274 nan 8.210 nan 0.000 0.414 107 R N 1.438 121.946 120.500 0.013 0.000 2.096 107 R HA -0.223 4.117 4.340 0.001 0.000 0.240 107 R C 2.338 178.643 176.300 0.008 0.000 1.139 107 R CA 1.879 57.985 56.100 0.011 0.000 0.952 107 R CB -0.320 29.990 30.300 0.017 0.000 0.854 107 R HN 0.366 nan 8.270 nan 0.000 0.436 108 A N -0.310 122.517 122.820 0.013 0.000 1.933 108 A HA -0.116 4.204 4.320 0.001 0.000 0.218 108 A C 2.127 179.716 177.584 0.009 0.000 1.175 108 A CA 1.924 53.969 52.037 0.012 0.000 0.628 108 A CB -0.727 18.282 19.000 0.016 0.000 0.814 108 A HN 0.509 nan 8.150 nan 0.000 0.444 109 T N -0.326 114.233 114.554 0.008 0.000 2.668 109 T HA -0.115 4.235 4.350 0.001 0.000 0.262 109 T C 1.883 176.588 174.700 0.008 0.000 1.045 109 T CA 1.502 63.606 62.100 0.007 0.000 1.152 109 T CB -0.630 68.241 68.868 0.004 0.000 0.864 109 T HN 0.124 nan 8.240 nan 0.000 0.419 110 V N 1.692 121.610 119.914 0.006 0.000 2.317 110 V HA -0.224 3.897 4.120 0.001 0.000 0.251 110 V C 2.834 178.938 176.094 0.017 0.000 1.065 110 V CA 2.136 64.443 62.300 0.011 0.000 1.049 110 V CB -1.450 30.377 31.823 0.006 0.000 0.651 110 V HN 0.656 nan 8.190 nan 0.000 0.450 111 G N -0.831 107.972 108.800 0.006 0.000 2.446 111 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 111 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 111 G C 1.647 176.550 174.900 0.005 0.000 1.168 111 G CA 1.092 46.190 45.100 -0.003 0.000 0.771 111 G HN 0.514 nan 8.290 nan 0.000 0.551 112 I N -0.321 120.256 120.570 0.010 0.000 2.546 112 I HA 0.022 4.193 4.170 0.001 0.000 0.255 112 I C 2.414 178.547 176.117 0.026 0.000 1.163 112 I CA 0.295 61.603 61.300 0.014 0.000 1.457 112 I CB 0.103 38.109 38.000 0.010 0.000 1.092 112 I HN 0.168 nan 8.210 nan 0.000 0.434 113 L N 0.849 122.091 121.223 0.031 0.000 2.005 113 L HA -0.159 4.181 4.340 0.001 0.000 0.207 113 L C 2.209 179.138 176.870 0.097 0.000 1.072 113 L CA 1.891 56.759 54.840 0.046 0.000 0.744 113 L CB -0.451 41.626 42.059 0.030 0.000 0.895 113 L HN 0.151 nan 8.230 nan 0.000 0.433 114 I N -0.983 119.659 120.570 0.119 0.000 2.069 114 I HA -0.396 3.774 4.170 0.001 0.000 0.237 114 I C 2.251 178.439 176.117 0.119 0.000 1.053 114 I CA 2.078 63.490 61.300 0.186 0.000 1.311 114 I CB -0.800 37.237 38.000 0.062 0.000 1.030 114 I HN 0.267 nan 8.210 nan 0.000 0.398 115 T N 0.070 114.647 114.554 0.037 0.000 2.737 115 T HA -0.187 4.163 4.350 0.001 0.000 0.269 115 T C 1.801 176.524 174.700 0.039 0.000 1.040 115 T CA 2.068 64.175 62.100 0.012 0.000 1.142 115 T CB -0.409 68.454 68.868 -0.007 0.000 0.861 115 T HN 0.457 nan 8.240 nan 0.000 0.456 116 T N 1.889 116.475 114.554 0.054 0.000 2.770 116 T HA 0.104 4.455 4.350 0.001 0.000 0.263 116 T C 2.018 176.764 174.700 0.076 0.000 1.039 116 T CA 0.750 62.880 62.100 0.050 0.000 1.142 116 T CB -0.388 68.502 68.868 0.036 0.000 0.868 116 T HN 0.311 nan 8.240 nan 0.000 0.435 117 I N 1.822 122.464 120.570 0.120 0.000 2.151 117 I HA -0.242 3.928 4.170 0.001 0.000 0.243 117 I C 2.969 179.207 176.117 0.203 0.000 1.080 117 I CA 1.384 62.774 61.300 0.151 0.000 1.339 117 I CB -0.513 37.599 38.000 0.187 0.000 1.039 117 I HN 0.214 nan 8.210 nan 0.000 0.409 118 A N -0.683 122.287 122.820 0.250 0.000 1.933 118 A HA -0.218 4.103 4.320 0.001 0.000 0.218 118 A C 2.453 180.090 177.584 0.088 0.000 1.175 118 A CA 2.117 54.261 52.037 0.179 0.000 0.628 118 A CB -0.713 18.315 19.000 0.047 0.000 0.814 118 A HN 0.374 nan 8.150 nan 0.000 0.444 119 S N -0.594 115.142 115.700 0.060 0.000 2.481 119 S HA 0.049 4.520 4.470 0.001 0.000 0.231 119 S C 1.395 176.015 174.600 0.034 0.000 0.996 119 S CA 1.177 59.397 58.200 0.032 0.000 0.942 119 S CB -0.620 62.591 63.200 0.019 0.000 0.768 119 S HN 0.697 nan 8.310 nan 0.000 0.520 120 K N 1.262 121.691 120.400 0.048 0.000 2.034 120 K HA 0.422 4.743 4.320 0.001 0.000 0.225 120 K C 0.734 177.356 176.600 0.037 0.000 1.190 120 K CA 0.376 56.685 56.287 0.037 0.000 1.152 120 K CB -1.843 30.679 32.500 0.037 0.000 1.300 120 K HN 0.873 nan 8.250 nan 0.000 0.268 121 G N 0.585 109.401 108.800 0.026 0.000 2.370 121 G HA2 0.248 4.208 3.960 0.001 0.000 0.295 121 G HA3 0.248 4.208 3.960 0.001 0.000 0.295 121 G C 0.578 175.496 174.900 0.029 0.000 1.045 121 G CA 0.782 45.895 45.100 0.023 0.000 1.199 121 G HN 2.315 nan 8.290 nan 0.000 0.513 122 E N -3.208 117.008 120.200 0.026 0.000 2.165 122 E HA 0.214 4.565 4.350 0.001 0.000 0.203 122 E C 2.044 178.672 176.600 0.047 0.000 1.335 122 E CA 1.816 58.232 56.400 0.027 0.000 0.708 122 E CB -2.524 27.185 29.700 0.014 0.000 1.105 122 E HN 2.672 nan 8.360 nan 0.000 0.346 123 L N 1.200 122.468 121.223 0.075 0.000 2.878 123 L HA 0.182 4.522 4.340 0.001 0.000 0.285 123 L C 1.729 178.671 176.870 0.121 0.000 1.090 123 L CA 1.613 56.522 54.840 0.115 0.000 1.030 123 L CB -0.334 41.843 42.059 0.196 0.000 1.431 123 L HN 0.642 nan 8.230 nan 0.000 0.456 124 Q N 1.589 121.442 119.800 0.088 0.000 2.319 124 Q HA 0.021 4.361 4.340 0.001 0.000 0.202 124 Q C 1.599 177.653 176.000 0.091 0.000 0.896 124 Q CA 0.822 56.673 55.803 0.081 0.000 0.942 124 Q CB 0.230 28.998 28.738 0.050 0.000 1.083 124 Q HN 0.978 nan 8.270 nan 0.000 0.510 125 N N -0.602 118.155 118.700 0.095 0.000 2.515 125 N HA -0.089 4.652 4.740 0.001 0.000 0.185 125 N C -0.549 175.047 175.510 0.143 0.000 1.109 125 N CA 0.391 53.487 53.050 0.076 0.000 0.903 125 N CB 0.242 38.742 38.487 0.022 0.000 0.969 125 N HN 0.140 nan 8.380 nan 0.000 0.450 126 W N 0.998 122.297 121.300 -0.003 0.000 1.993 126 W HA 0.429 5.089 4.660 0.000 0.000 0.288 126 W C -2.325 174.191 176.519 -0.005 0.000 0.844 126 W CA -2.400 54.941 57.345 -0.005 0.000 2.039 126 W CB 0.696 30.150 29.460 -0.009 0.000 2.270 126 W HN 0.047 nan 8.180 nan 0.000 0.389 127 P HA 0.014 nan 4.420 nan 0.000 0.245 127 P C 0.909 178.246 177.300 0.062 0.000 1.203 127 P CA 0.951 64.112 63.100 0.102 0.000 0.792 127 P CB 0.680 32.429 31.700 0.082 0.000 0.997 128 D N -0.665 119.815 120.400 0.133 0.000 2.312 128 D HA -0.062 4.578 4.640 0.001 0.000 0.211 128 D C 1.720 177.969 176.300 -0.086 0.000 0.964 128 D CA 0.339 54.382 54.000 0.072 0.000 0.877 128 D CB -0.531 40.376 40.800 0.178 0.000 0.924 128 D HN 0.041 nan 8.370 nan 0.000 0.515 129 L N 0.587 121.623 121.223 -0.311 0.000 1.921 129 L HA -0.151 4.189 4.340 0.001 0.000 0.219 129 L C 2.079 178.732 176.870 -0.362 0.000 1.081 129 L CA 1.662 56.106 54.840 -0.661 0.000 0.771 129 L CB -0.873 40.501 42.059 -1.140 0.000 0.888 129 L HN 0.001 nan 8.230 nan 0.000 0.433 130 L N -0.549 120.517 121.223 -0.261 0.000 2.013 130 L HA -0.196 4.145 4.340 0.001 0.000 0.212 130 L C -0.069 176.728 176.870 -0.123 0.000 1.073 130 L CA 1.563 56.305 54.840 -0.163 0.000 0.753 130 L CB -2.010 39.991 42.059 -0.097 0.000 0.890 130 L HN 0.290 nan 8.230 nan 0.000 0.432 131 P HA -0.227 nan 4.420 nan 0.000 0.216 131 P C 1.465 178.713 177.300 -0.087 0.000 1.153 131 P CA 1.516 64.570 63.100 -0.078 0.000 0.858 131 P CB 0.035 31.705 31.700 -0.051 0.000 0.789 132 K N -0.704 119.637 120.400 -0.098 0.000 2.155 132 K HA -0.047 4.273 4.320 0.001 0.000 0.203 132 K C 2.007 178.539 176.600 -0.115 0.000 1.052 132 K CA 0.781 57.015 56.287 -0.088 0.000 0.948 132 K CB -0.507 31.952 32.500 -0.068 0.000 0.728 132 K HN 0.043 nan 8.250 nan 0.000 0.448 133 L N 0.237 121.368 121.223 -0.153 0.000 2.005 133 L HA -0.263 4.077 4.340 0.001 0.000 0.207 133 L C 2.565 179.330 176.870 -0.176 0.000 1.072 133 L CA 1.189 55.928 54.840 -0.170 0.000 0.744 133 L CB -0.495 41.450 42.059 -0.190 0.000 0.895 133 L HN 0.328 nan 8.230 nan 0.000 0.433 134 C N -1.279 117.928 119.300 -0.155 0.000 2.413 134 C HA -0.184 4.276 4.460 0.001 0.000 0.277 134 C C 3.285 178.181 174.990 -0.157 0.000 1.265 134 C CA 1.285 60.200 59.018 -0.172 0.000 1.752 134 C CB -0.916 26.735 27.740 -0.148 0.000 1.998 134 C HN 0.592 nan 8.230 nan 0.000 0.489 135 S N 0.003 115.633 115.700 -0.117 0.000 2.428 135 S HA 0.034 4.505 4.470 0.001 0.000 0.230 135 S C 1.569 176.125 174.600 -0.073 0.000 1.014 135 S CA 0.951 59.101 58.200 -0.083 0.000 0.957 135 S CB -0.220 62.942 63.200 -0.063 0.000 0.784 135 S HN 0.656 nan 8.310 nan 0.000 0.499 136 L N 1.136 122.301 121.223 -0.097 0.000 2.554 136 L HA 0.185 4.526 4.340 0.001 0.000 0.226 136 L C 1.879 178.684 176.870 -0.107 0.000 1.137 136 L CA 0.157 54.946 54.840 -0.086 0.000 0.863 136 L CB -0.219 41.786 42.059 -0.091 0.000 0.985 136 L HN 0.335 nan 8.230 nan 0.000 0.451 137 L N -0.621 120.498 121.223 -0.174 0.000 2.131 137 L HA -0.175 4.165 4.340 0.001 0.000 0.210 137 L C 1.258 178.143 176.870 0.026 0.000 1.092 137 L CA 0.930 55.625 54.840 -0.242 0.000 0.759 137 L CB -0.392 41.368 42.059 -0.497 0.000 0.903 137 L HN 0.249 nan 8.230 nan 0.000 0.435 138 D N -0.312 120.126 120.400 0.062 0.000 2.319 138 D HA 0.022 4.662 4.640 0.001 0.000 0.230 138 D C 0.982 177.337 176.300 0.093 0.000 1.094 138 D CA 0.187 54.265 54.000 0.130 0.000 0.856 138 D CB 0.223 41.067 40.800 0.074 0.000 0.915 138 D HN 0.030 nan 8.370 nan 0.000 0.517 139 S N 0.194 115.934 115.700 0.066 0.000 2.589 139 S HA 0.006 4.476 4.470 0.001 0.000 0.265 139 S C 1.322 175.975 174.600 0.090 0.000 1.342 139 S CA -0.171 58.063 58.200 0.056 0.000 1.005 139 S CB 1.205 64.421 63.200 0.027 0.000 0.909 139 S HN -0.046 nan 8.310 nan 0.000 0.555 140 E N 0.852 121.098 120.200 0.077 0.000 2.201 140 E HA 0.087 4.437 4.350 0.001 0.000 0.193 140 E C -0.067 176.599 176.600 0.110 0.000 0.957 140 E CA 0.223 56.678 56.400 0.091 0.000 0.858 140 E CB -0.325 29.414 29.700 0.066 0.000 0.816 140 E HN 0.668 nan 8.360 nan 0.000 0.475 141 D N 0.559 121.013 120.400 0.090 0.000 2.368 141 D HA -0.112 4.529 4.640 0.001 0.000 0.268 141 D C 0.911 177.291 176.300 0.133 0.000 1.298 141 D CA 0.050 54.112 54.000 0.104 0.000 0.938 141 D CB 0.071 40.911 40.800 0.068 0.000 1.101 141 D HN 0.022 nan 8.370 nan 0.000 0.509 142 Y N 5.009 125.350 120.300 0.068 0.000 2.139 142 Y HA -0.314 4.237 4.550 0.001 0.000 0.282 142 Y C 1.574 177.520 175.900 0.077 0.000 1.179 142 Y CA 2.176 60.327 58.100 0.086 0.000 1.161 142 Y CB -0.211 38.297 38.460 0.081 0.000 0.970 142 Y HN 0.524 nan 8.280 nan 0.000 0.511 143 N N -1.077 117.669 118.700 0.076 0.000 2.166 143 N HA -0.177 4.563 4.740 0.001 0.000 0.186 143 N C 1.558 177.019 175.510 -0.081 0.000 1.019 143 N CA 1.678 54.714 53.050 -0.023 0.000 0.856 143 N CB -0.206 38.331 38.487 0.084 0.000 0.993 143 N HN 0.387 nan 8.380 nan 0.000 0.426 144 T N 0.215 114.747 114.554 -0.037 0.000 2.821 144 T HA -0.131 4.219 4.350 0.001 0.000 0.267 144 T C 2.186 176.839 174.700 -0.079 0.000 1.046 144 T CA 0.630 62.704 62.100 -0.042 0.000 1.139 144 T CB -0.437 68.426 68.868 -0.009 0.000 0.871 144 T HN 0.415 nan 8.240 nan 0.000 0.454 145 C N 1.760 121.008 119.300 -0.086 0.000 2.462 145 C HA -0.021 4.440 4.460 0.001 0.000 0.278 145 C C 2.746 177.655 174.990 -0.134 0.000 1.253 145 C CA 0.958 59.921 59.018 -0.091 0.000 1.713 145 C CB -0.867 26.868 27.740 -0.009 0.000 2.049 145 C HN 0.490 nan 8.230 nan 0.000 0.477 146 E N 0.379 120.420 120.200 -0.266 0.000 2.152 146 E HA -0.040 4.310 4.350 0.001 0.000 0.192 146 E C 2.267 178.772 176.600 -0.158 0.000 0.983 146 E CA 1.475 57.732 56.400 -0.239 0.000 0.818 146 E CB -0.602 28.780 29.700 -0.531 0.000 0.758 146 E HN 0.737 nan 8.360 nan 0.000 0.467 147 G N 0.814 109.528 108.800 -0.143 0.000 2.422 147 G HA2 -0.208 3.752 3.960 0.001 0.000 0.218 147 G HA3 -0.208 3.752 3.960 0.001 0.000 0.218 147 G C 1.682 176.507 174.900 -0.125 0.000 1.146 147 G CA 1.156 46.194 45.100 -0.104 0.000 0.769 147 G HN 0.403 nan 8.290 nan 0.000 0.547 148 A N 0.086 122.825 122.820 -0.134 0.000 1.872 148 A HA 0.233 4.553 4.320 0.001 0.000 0.214 148 A C 2.198 179.677 177.584 -0.175 0.000 1.187 148 A CA 0.954 52.896 52.037 -0.158 0.000 0.614 148 A CB -0.522 18.374 19.000 -0.173 0.000 0.826 148 A HN 0.340 nan 8.150 nan 0.000 0.442 149 F N 0.596 120.351 119.950 -0.324 0.000 2.216 149 F HA -0.094 4.434 4.527 0.001 0.000 0.300 149 F C 2.492 177.889 175.800 -0.672 0.000 1.085 149 F CA 0.597 58.338 58.000 -0.431 0.000 1.326 149 F CB -0.086 38.648 39.000 -0.444 0.000 1.027 149 F HN 0.351 nan 8.300 nan 0.000 0.497 150 G N -0.280 108.199 108.800 -0.535 0.000 2.459 150 G HA2 -0.307 3.653 3.960 0.001 0.000 0.217 150 G HA3 -0.307 3.653 3.960 0.001 0.000 0.217 150 G C 1.771 176.537 174.900 -0.223 0.000 1.183 150 G CA 0.819 45.603 45.100 -0.526 0.000 0.776 150 G HN 0.461 nan 8.290 nan 0.000 0.552 151 A N 0.187 122.911 122.820 -0.161 0.000 1.902 151 A HA 0.085 4.406 4.320 0.001 0.000 0.217 151 A C 2.380 179.895 177.584 -0.115 0.000 1.181 151 A CA 1.693 53.657 52.037 -0.122 0.000 0.623 151 A CB -0.479 18.443 19.000 -0.131 0.000 0.818 151 A HN 0.416 nan 8.150 nan 0.000 0.443 152 L N -0.099 121.057 121.223 -0.112 0.000 2.012 152 L HA -0.241 4.099 4.340 0.001 0.000 0.210 152 L C 2.571 179.413 176.870 -0.046 0.000 1.073 152 L CA 2.680 57.477 54.840 -0.071 0.000 0.748 152 L CB -0.741 41.287 42.059 -0.052 0.000 0.891 152 L HN 0.613 nan 8.230 nan 0.000 0.431 153 Q N -0.540 119.236 119.800 -0.040 0.000 2.061 153 Q HA -0.294 4.046 4.340 0.001 0.000 0.204 153 Q C 2.287 178.257 176.000 -0.050 0.000 0.984 153 Q CA 2.842 58.621 55.803 -0.041 0.000 0.846 153 Q CB -0.093 28.638 28.738 -0.012 0.000 0.902 153 Q HN 0.593 nan 8.270 nan 0.000 0.421 154 K N 0.584 120.954 120.400 -0.050 0.000 2.097 154 K HA -0.111 4.209 4.320 0.001 0.000 0.206 154 K C 1.744 178.313 176.600 -0.052 0.000 1.049 154 K CA 1.547 57.808 56.287 -0.043 0.000 0.933 154 K CB -0.798 31.680 32.500 -0.037 0.000 0.717 154 K HN 0.391 nan 8.250 nan 0.000 0.442 155 I N 0.266 120.798 120.570 -0.063 0.000 2.233 155 I HA -0.263 3.908 4.170 0.001 0.000 0.243 155 I C 2.611 178.686 176.117 -0.070 0.000 1.093 155 I CA 0.890 62.150 61.300 -0.065 0.000 1.380 155 I CB -0.234 37.716 38.000 -0.083 0.000 1.067 155 I HN 0.395 nan 8.210 nan 0.000 0.413 156 C N 0.726 119.980 119.300 -0.077 0.000 2.401 156 C HA -0.191 4.270 4.460 0.001 0.000 0.276 156 C C 2.684 177.595 174.990 -0.132 0.000 1.233 156 C CA 1.138 60.086 59.018 -0.116 0.000 1.753 156 C CB -1.117 26.545 27.740 -0.130 0.000 2.029 156 C HN 0.500 nan 8.230 nan 0.000 0.478 157 E N 0.426 120.566 120.200 -0.100 0.000 2.076 157 E HA -0.141 4.209 4.350 0.001 0.000 0.190 157 E C 1.623 178.180 176.600 -0.072 0.000 0.979 157 E CA 1.063 57.410 56.400 -0.089 0.000 0.807 157 E CB -0.129 29.531 29.700 -0.066 0.000 0.761 157 E HN 0.583 nan 8.360 nan 0.000 0.454 158 D N 0.861 121.226 120.400 -0.059 0.000 2.117 158 D HA -0.089 4.551 4.640 0.001 0.000 0.198 158 D C 0.767 177.038 176.300 -0.048 0.000 0.982 158 D CA 0.705 54.678 54.000 -0.045 0.000 0.828 158 D CB -0.410 40.371 40.800 -0.033 0.000 0.967 158 D HN 0.047 nan 8.370 nan 0.000 0.464 159 S N 0.163 115.829 115.700 -0.057 0.000 2.575 159 S HA 0.189 4.660 4.470 0.001 0.000 0.295 159 S C 1.287 175.852 174.600 -0.059 0.000 1.267 159 S CA -0.044 58.124 58.200 -0.054 0.000 1.074 159 S CB 1.467 64.630 63.200 -0.061 0.000 0.829 159 S HN 0.206 nan 8.310 nan 0.000 0.497 160 A N 3.738 126.533 122.820 -0.042 0.000 1.858 160 A HA 0.224 4.544 4.320 0.001 0.000 0.216 160 A C 1.455 179.011 177.584 -0.047 0.000 1.190 160 A CA 1.478 53.491 52.037 -0.040 0.000 0.617 160 A CB -1.650 17.335 19.000 -0.026 0.000 0.827 160 A HN 1.285 nan 8.150 nan 0.000 0.443 161 E N 0.030 120.206 120.200 -0.041 0.000 2.345 161 E HA 0.528 4.878 4.350 0.001 0.000 0.259 161 E C 0.179 176.737 176.600 -0.070 0.000 1.117 161 E CA -0.189 56.185 56.400 -0.042 0.000 0.913 161 E CB -0.138 29.549 29.700 -0.021 0.000 1.057 161 E HN 0.974 nan 8.360 nan 0.000 0.432 162 I N -2.127 118.397 120.570 -0.078 0.000 2.886 162 I HA 0.474 4.645 4.170 0.001 0.000 0.299 162 I C 0.059 176.158 176.117 -0.030 0.000 1.044 162 I CA -0.711 60.513 61.300 -0.128 0.000 1.310 162 I CB 0.682 38.584 38.000 -0.163 0.000 1.441 162 I HN 0.501 nan 8.210 nan 0.000 0.578 163 L N 3.152 124.383 121.223 0.012 0.000 2.278 163 L HA 0.363 4.704 4.340 0.001 0.000 0.287 163 L C -0.368 176.606 176.870 0.173 0.000 1.072 163 L CA -0.437 54.467 54.840 0.106 0.000 0.819 163 L CB 0.052 42.194 42.059 0.139 0.000 1.176 163 L HN 0.611 nan 8.230 nan 0.000 0.435 164 D N 0.579 121.036 120.400 0.095 0.000 2.371 164 D HA 0.034 4.675 4.640 0.001 0.000 0.242 164 D C 1.260 177.593 176.300 0.056 0.000 1.218 164 D CA -0.018 54.026 54.000 0.074 0.000 0.945 164 D CB 1.092 41.918 40.800 0.042 0.000 1.137 164 D HN 0.581 nan 8.370 nan 0.000 0.464 165 S N -0.311 115.406 115.700 0.028 0.000 2.500 165 S HA -0.166 4.305 4.470 0.001 0.000 0.239 165 S C 0.868 175.468 174.600 0.000 0.000 0.989 165 S CA 0.930 59.131 58.200 0.002 0.000 0.951 165 S CB -0.157 63.035 63.200 -0.014 0.000 0.759 165 S HN 0.350 nan 8.310 nan 0.000 0.523 166 D N 1.583 121.989 120.400 0.010 0.000 2.194 166 D HA 0.016 4.657 4.640 0.001 0.000 0.204 166 D C 1.894 178.199 176.300 0.007 0.000 0.964 166 D CA 0.956 54.961 54.000 0.007 0.000 0.846 166 D CB -0.196 40.610 40.800 0.011 0.000 0.962 166 D HN 0.445 nan 8.370 nan 0.000 0.490 167 V N 0.169 120.091 119.914 0.013 0.000 2.788 167 V HA -0.016 4.104 4.120 0.001 0.000 0.251 167 V C 2.141 178.233 176.094 -0.004 0.000 1.068 167 V CA 0.821 63.126 62.300 0.007 0.000 1.090 167 V CB -0.398 31.433 31.823 0.013 0.000 0.710 167 V HN 0.194 nan 8.190 nan 0.000 0.467 168 L N -0.490 120.733 121.223 -0.000 0.000 2.249 168 L HA 0.157 4.497 4.340 0.001 0.000 0.207 168 L C 1.329 178.177 176.870 -0.037 0.000 1.090 168 L CA 1.075 55.905 54.840 -0.017 0.000 0.802 168 L CB -0.218 41.836 42.059 -0.009 0.000 0.947 168 L HN 0.409 nan 8.230 nan 0.000 0.453 169 D N 0.180 120.563 120.400 -0.030 0.000 3.068 169 D HA -0.168 4.473 4.640 0.001 0.000 0.218 169 D C -0.174 176.098 176.300 -0.046 0.000 1.145 169 D CA 0.632 54.612 54.000 -0.033 0.000 0.896 169 D CB -0.245 40.536 40.800 -0.031 0.000 1.105 169 D HN 0.249 nan 8.370 nan 0.000 0.423 170 R N -0.567 119.898 120.500 -0.057 0.000 2.668 170 R HA 0.614 4.954 4.340 0.001 0.000 0.272 170 R C -2.689 173.565 176.300 -0.076 0.000 1.019 170 R CA -1.509 54.546 56.100 -0.075 0.000 0.894 170 R CB 1.224 31.458 30.300 -0.111 0.000 1.228 170 R HN -0.127 nan 8.270 nan 0.000 0.460 171 P HA 0.062 nan 4.420 nan 0.000 0.271 171 P C 0.319 177.551 177.300 -0.113 0.000 1.216 171 P CA -0.458 62.598 63.100 -0.073 0.000 0.771 171 P CB 0.557 32.222 31.700 -0.058 0.000 0.864 172 L N 2.739 123.892 121.223 -0.116 0.000 2.189 172 L HA -0.205 4.136 4.340 0.001 0.000 0.214 172 L C 2.035 178.798 176.870 -0.178 0.000 1.097 172 L CA 1.605 56.330 54.840 -0.190 0.000 0.764 172 L CB -1.525 40.423 42.059 -0.185 0.000 0.900 172 L HN 0.559 nan 8.230 nan 0.000 0.436 173 N N -0.440 118.206 118.700 -0.091 0.000 2.348 173 N HA -0.207 4.533 4.740 0.001 0.000 0.185 173 N C 1.874 177.339 175.510 -0.075 0.000 1.019 173 N CA 1.058 54.096 53.050 -0.021 0.000 0.880 173 N CB 0.130 38.618 38.487 0.001 0.000 0.965 173 N HN 0.407 nan 8.380 nan 0.000 0.437 174 I N -0.361 120.126 120.570 -0.139 0.000 2.927 174 I HA -0.100 4.070 4.170 0.001 0.000 0.268 174 I C 2.040 177.988 176.117 -0.281 0.000 1.153 174 I CA 0.192 61.387 61.300 -0.174 0.000 1.459 174 I CB 0.123 38.040 38.000 -0.137 0.000 1.149 174 I HN 0.121 nan 8.210 nan 0.000 0.443 175 M N 0.651 120.043 119.600 -0.347 0.000 2.193 175 M HA -0.056 4.424 4.480 0.001 0.000 0.265 175 M C 1.974 177.841 176.300 -0.722 0.000 1.071 175 M CA 1.710 56.672 55.300 -0.564 0.000 1.140 175 M CB -0.203 32.087 32.600 -0.516 0.000 1.369 175 M HN -0.017 nan 8.290 nan 0.000 0.423 176 I N 0.906 121.173 120.570 -0.504 0.000 2.127 176 I HA -0.199 3.971 4.170 0.001 0.000 0.241 176 I C -0.588 175.311 176.117 -0.363 0.000 1.075 176 I CA 1.752 62.824 61.300 -0.381 0.000 1.334 176 I CB -2.818 34.960 38.000 -0.370 0.000 1.040 176 I HN 0.168 nan 8.210 nan 0.000 0.405 177 P HA -0.126 nan 4.420 nan 0.000 0.223 177 P C 1.681 178.820 177.300 -0.269 0.000 1.151 177 P CA 1.265 64.091 63.100 -0.457 0.000 0.787 177 P CB -0.069 31.304 31.700 -0.545 0.000 0.788 178 K N -0.782 119.455 120.400 -0.271 0.000 2.103 178 K HA -0.044 4.277 4.320 0.001 0.000 0.204 178 K C 1.834 178.496 176.600 0.104 0.000 1.052 178 K CA 0.977 57.169 56.287 -0.159 0.000 0.945 178 K CB -0.425 31.935 32.500 -0.232 0.000 0.722 178 K HN 0.082 nan 8.250 nan 0.000 0.443 179 F N 1.261 121.285 119.950 0.124 0.000 2.102 179 F HA -0.198 4.329 4.527 0.000 0.000 0.298 179 F C 2.029 177.955 175.800 0.209 0.000 1.105 179 F CA 0.578 58.770 58.000 0.319 0.000 1.239 179 F CB -0.128 38.996 39.000 0.207 0.000 0.991 179 F HN -0.045 nan 8.300 nan 0.000 0.474 180 L N -0.236 120.985 121.223 -0.004 0.000 2.187 180 L HA -0.264 4.076 4.340 0.001 0.000 0.213 180 L C 2.325 179.057 176.870 -0.230 0.000 1.100 180 L CA 1.166 55.706 54.840 -0.501 0.000 0.765 180 L CB -0.796 40.993 42.059 -0.450 0.000 0.904 180 L HN 0.257 nan 8.230 nan 0.000 0.437 181 Q N -0.502 119.233 119.800 -0.108 0.000 2.170 181 Q HA -0.177 4.163 4.340 0.001 0.000 0.203 181 Q C 1.934 177.766 176.000 -0.280 0.000 0.976 181 Q CA 1.574 57.244 55.803 -0.222 0.000 0.858 181 Q CB -0.060 28.461 28.738 -0.361 0.000 0.907 181 Q HN 0.468 nan 8.270 nan 0.000 0.433 182 F N -1.554 118.453 119.950 0.096 0.000 2.780 182 F HA -0.026 4.501 4.527 0.001 0.000 0.299 182 F C 1.217 177.139 175.800 0.203 0.000 1.146 182 F CA 0.029 58.093 58.000 0.108 0.000 1.428 182 F CB 0.173 39.392 39.000 0.366 0.000 1.115 182 F HN 0.038 nan 8.300 nan 0.000 0.583 183 F N 0.877 120.886 119.950 0.099 0.000 2.186 183 F HA -0.125 4.402 4.527 0.000 0.000 0.299 183 F C 2.075 177.865 175.800 -0.017 0.000 1.090 183 F CA 1.003 59.028 58.000 0.041 0.000 1.307 183 F CB -0.880 38.148 39.000 0.045 0.000 1.019 183 F HN -0.074 nan 8.300 nan 0.000 0.489 184 K N -0.971 119.497 120.400 0.115 0.000 2.305 184 K HA -0.043 4.277 4.320 0.001 0.000 0.199 184 K C 1.510 178.148 176.600 0.065 0.000 1.047 184 K CA 1.306 57.623 56.287 0.050 0.000 0.976 184 K CB -0.050 32.459 32.500 0.015 0.000 0.765 184 K HN 0.518 nan 8.250 nan 0.000 0.474 185 H N -3.070 116.068 119.070 0.114 0.000 2.006 185 H HA 0.243 4.800 4.556 0.001 0.000 0.189 185 H C 1.336 176.740 175.328 0.126 0.000 0.887 185 H CA -0.367 55.737 56.048 0.093 0.000 0.958 185 H CB -0.051 29.745 29.762 0.057 0.000 1.163 185 H HN -0.160 nan 8.280 nan 0.000 0.364 186 S N 1.286 117.184 115.700 0.330 0.000 2.873 186 S HA -0.020 4.450 4.470 0.001 0.000 0.248 186 S C 1.001 175.754 174.600 0.254 0.000 1.454 186 S CA 0.501 58.950 58.200 0.415 0.000 1.067 186 S CB -0.017 63.483 63.200 0.501 0.000 0.785 186 S HN 0.718 nan 8.310 nan 0.000 0.472 187 S N 1.008 116.870 115.700 0.269 0.000 2.645 187 S HA 0.333 4.804 4.470 0.001 0.000 0.266 187 S C -2.143 172.523 174.600 0.110 0.000 1.258 187 S CA -0.929 57.374 58.200 0.172 0.000 0.990 187 S CB 0.409 63.749 63.200 0.234 0.000 0.967 187 S HN 0.404 nan 8.310 nan 0.000 0.556 188 P HA -0.025 nan 4.420 nan 0.000 0.218 188 P C 1.243 178.496 177.300 -0.079 0.000 1.149 188 P CA 0.999 64.087 63.100 -0.020 0.000 0.817 188 P CB 0.068 31.751 31.700 -0.028 0.000 0.785 189 K N -0.200 120.173 120.400 -0.044 0.000 2.009 189 K HA -0.102 4.218 4.320 0.001 0.000 0.210 189 K C 2.131 178.543 176.600 -0.313 0.000 1.049 189 K CA 1.338 57.519 56.287 -0.178 0.000 0.929 189 K CB -1.074 31.424 32.500 -0.004 0.000 0.714 189 K HN 0.241 nan 8.250 nan 0.000 0.440 190 I N 0.549 121.085 120.570 -0.057 0.000 2.179 190 I HA -0.261 3.909 4.170 0.001 0.000 0.242 190 I C 2.780 178.754 176.117 -0.238 0.000 1.088 190 I CA 0.975 62.216 61.300 -0.098 0.000 1.357 190 I CB -0.266 37.809 38.000 0.124 0.000 1.051 190 I HN 0.183 nan 8.210 nan 0.000 0.409 191 R N 0.751 121.190 120.500 -0.101 0.000 2.119 191 R HA -0.242 4.099 4.340 0.001 0.000 0.246 191 R C 2.525 178.646 176.300 -0.298 0.000 1.146 191 R CA 2.307 58.331 56.100 -0.128 0.000 0.962 191 R CB -0.184 30.064 30.300 -0.085 0.000 0.863 191 R HN 0.518 nan 8.270 nan 0.000 0.442 192 S N -1.076 114.430 115.700 -0.322 0.000 2.439 192 S HA -0.063 4.407 4.470 0.001 0.000 0.224 192 S C 1.740 176.134 174.600 -0.344 0.000 1.029 192 S CA 0.324 58.322 58.200 -0.337 0.000 0.946 192 S CB -0.290 62.737 63.200 -0.289 0.000 0.797 192 S HN 0.378 nan 8.310 nan 0.000 0.504 193 H N 2.342 121.151 119.070 -0.436 0.000 2.357 193 H HA 0.008 4.565 4.556 0.001 0.000 0.296 193 H C 2.576 177.469 175.328 -0.724 0.000 1.108 193 H CA 1.585 57.271 56.048 -0.604 0.000 1.273 193 H CB -0.939 28.270 29.762 -0.922 0.000 1.367 193 H HN 0.610 nan 8.280 nan 0.000 0.498 194 A N 0.439 122.872 122.820 -0.645 0.000 1.877 194 A HA -0.116 4.205 4.320 0.001 0.000 0.216 194 A C 2.864 180.487 177.584 0.065 0.000 1.186 194 A CA 1.909 53.823 52.037 -0.205 0.000 0.620 194 A CB -0.812 18.307 19.000 0.198 0.000 0.822 194 A HN 0.235 nan 8.150 nan 0.000 0.443 195 V N -0.022 119.759 119.914 -0.222 0.000 2.343 195 V HA -0.213 3.907 4.120 0.001 0.000 0.247 195 V C 2.997 179.105 176.094 0.023 0.000 1.051 195 V CA 1.812 64.014 62.300 -0.164 0.000 1.036 195 V CB -1.581 29.992 31.823 -0.416 0.000 0.654 195 V HN 0.593 nan 8.190 nan 0.000 0.451 196 A N -0.464 122.310 122.820 -0.076 0.000 1.883 196 A HA -0.282 4.039 4.320 0.001 0.000 0.217 196 A C 2.409 179.959 177.584 -0.056 0.000 1.186 196 A CA 2.406 54.410 52.037 -0.054 0.000 0.624 196 A CB -1.286 17.671 19.000 -0.071 0.000 0.822 196 A HN 0.587 nan 8.150 nan 0.000 0.444 197 C N -1.149 118.078 119.300 -0.121 0.000 2.413 197 C HA -0.099 4.361 4.460 0.001 0.000 0.276 197 C C 2.732 177.687 174.990 -0.058 0.000 1.236 197 C CA 1.249 60.129 59.018 -0.230 0.000 1.735 197 C CB -1.289 26.063 27.740 -0.648 0.000 2.031 197 C HN 0.482 nan 8.230 nan 0.000 0.474 198 V N 1.662 121.602 119.914 0.043 0.000 2.626 198 V HA -0.139 3.981 4.120 0.001 0.000 0.252 198 V C 2.022 178.183 176.094 0.112 0.000 1.067 198 V CA 1.732 64.128 62.300 0.161 0.000 1.081 198 V CB -0.765 31.114 31.823 0.094 0.000 0.686 198 V HN 0.521 nan 8.190 nan 0.000 0.468 199 N N 0.236 119.001 118.700 0.110 0.000 2.244 199 N HA -0.133 4.607 4.740 0.001 0.000 0.183 199 N C 1.820 177.324 175.510 -0.010 0.000 1.016 199 N CA 0.827 53.930 53.050 0.088 0.000 0.866 199 N CB -0.333 38.212 38.487 0.096 0.000 0.980 199 N HN 0.403 nan 8.380 nan 0.000 0.430 200 Q N -0.560 119.171 119.800 -0.115 0.000 2.515 200 Q HA -0.018 4.322 4.340 0.001 0.000 0.215 200 Q C 0.516 176.215 176.000 -0.502 0.000 0.983 200 Q CA 0.721 56.323 55.803 -0.335 0.000 0.905 200 Q CB -0.248 28.192 28.738 -0.497 0.000 0.961 200 Q HN 0.485 nan 8.270 nan 0.000 0.503 201 F N -1.703 118.213 119.950 -0.056 0.000 2.682 201 F HA 0.221 4.747 4.527 -0.000 0.000 0.308 201 F C 1.611 177.373 175.800 -0.063 0.000 1.093 201 F CA -0.248 57.719 58.000 -0.056 0.000 1.244 201 F CB 0.207 39.171 39.000 -0.060 0.000 1.052 201 F HN -0.052 nan 8.300 nan 0.000 0.573 202 I N 0.134 120.742 120.570 0.063 0.000 2.235 202 I HA -0.198 3.973 4.170 0.001 0.000 0.241 202 I C 2.048 178.190 176.117 0.042 0.000 1.085 202 I CA 1.364 62.697 61.300 0.056 0.000 1.378 202 I CB -0.347 37.706 38.000 0.088 0.000 1.076 202 I HN 0.036 nan 8.210 nan 0.000 0.415 203 I N 0.877 121.456 120.570 0.015 0.000 2.394 203 I HA -0.195 3.976 4.170 0.001 0.000 0.251 203 I C 2.561 178.682 176.117 0.006 0.000 1.136 203 I CA 1.344 62.646 61.300 0.004 0.000 1.425 203 I CB -0.627 37.363 38.000 -0.016 0.000 1.079 203 I HN 0.245 nan 8.210 nan 0.000 0.425 204 S N 0.865 116.570 115.700 0.008 0.000 2.547 204 S HA -0.054 4.416 4.470 0.001 0.000 0.235 204 S C 1.143 175.764 174.600 0.036 0.000 0.980 204 S CA -0.026 58.185 58.200 0.018 0.000 0.941 204 S CB -0.422 62.791 63.200 0.021 0.000 0.763 204 S HN 0.446 nan 8.310 nan 0.000 0.532 205 R N 1.197 121.722 120.500 0.042 0.000 3.416 205 R HA -0.105 4.236 4.340 0.001 0.000 0.263 205 R C -0.803 175.526 176.300 0.049 0.000 1.053 205 R CA 0.795 56.919 56.100 0.042 0.000 0.705 205 R CB -2.760 27.556 30.300 0.027 0.000 1.124 205 R HN 0.471 nan 8.270 nan 0.000 0.444 206 T N 0.579 115.181 114.554 0.080 0.000 2.866 206 T HA -0.103 4.248 4.350 0.001 0.000 0.293 206 T C 1.522 176.244 174.700 0.037 0.000 1.005 206 T CA 0.255 62.407 62.100 0.087 0.000 1.162 206 T CB 1.261 70.235 68.868 0.177 0.000 0.968 206 T HN 0.371 nan 8.240 nan 0.000 0.530 207 Q N 3.098 122.911 119.800 0.021 0.000 2.096 207 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 207 Q C 2.477 178.470 176.000 -0.011 0.000 0.982 207 Q CA 1.689 57.492 55.803 0.001 0.000 0.850 207 Q CB -0.317 28.418 28.738 -0.005 0.000 0.901 207 Q HN 0.907 nan 8.270 nan 0.000 0.422 208 A N 0.437 123.249 122.820 -0.013 0.000 1.948 208 A HA -0.214 4.107 4.320 0.001 0.000 0.220 208 A C 1.923 179.542 177.584 0.058 0.000 1.177 208 A CA 1.515 53.557 52.037 0.008 0.000 0.636 208 A CB -0.668 18.297 19.000 -0.059 0.000 0.815 208 A HN 0.480 nan 8.150 nan 0.000 0.449 209 L N -1.121 120.094 121.223 -0.014 0.000 2.095 209 L HA -0.019 4.321 4.340 0.001 0.000 0.204 209 L C 2.337 179.218 176.870 0.017 0.000 1.080 209 L CA 1.617 56.441 54.840 -0.026 0.000 0.759 209 L CB -0.593 41.412 42.059 -0.090 0.000 0.914 209 L HN 0.283 nan 8.230 nan 0.000 0.439 210 M N -0.904 118.702 119.600 0.010 0.000 2.108 210 M HA -0.214 4.266 4.480 0.001 0.000 0.261 210 M C 2.333 178.625 176.300 -0.013 0.000 1.066 210 M CA 1.772 57.080 55.300 0.013 0.000 1.107 210 M CB -1.244 31.360 32.600 0.007 0.000 1.356 210 M HN 0.264 nan 8.290 nan 0.000 0.406 211 L N -1.306 119.878 121.223 -0.064 0.000 2.217 211 L HA -0.164 4.177 4.340 0.001 0.000 0.211 211 L C 1.747 178.465 176.870 -0.254 0.000 1.107 211 L CA 0.731 55.472 54.840 -0.165 0.000 0.783 211 L CB -0.541 41.377 42.059 -0.234 0.000 0.919 211 L HN 0.363 nan 8.230 nan 0.000 0.442 212 H N -1.002 118.049 119.070 -0.032 0.000 2.537 212 H HA 0.085 4.642 4.556 0.000 0.000 0.295 212 H C 1.622 176.963 175.328 0.021 0.000 1.054 212 H CA -0.064 55.968 56.048 -0.027 0.000 1.156 212 H CB 0.587 30.309 29.762 -0.066 0.000 1.468 212 H HN 0.214 nan 8.280 nan 0.000 0.551 213 I N 1.523 122.157 120.570 0.106 0.000 2.076 213 I HA -0.280 3.890 4.170 0.001 0.000 0.237 213 I C 1.710 177.905 176.117 0.130 0.000 1.059 213 I CA 1.592 62.977 61.300 0.143 0.000 1.317 213 I CB -0.090 37.970 38.000 0.101 0.000 1.037 213 I HN 0.099 nan 8.210 nan 0.000 0.398 214 D N -0.435 120.011 120.400 0.076 0.000 2.190 214 D HA -0.206 4.435 4.640 0.001 0.000 0.200 214 D C 2.321 178.641 176.300 0.034 0.000 0.992 214 D CA 1.569 55.599 54.000 0.051 0.000 0.854 214 D CB -0.348 40.481 40.800 0.049 0.000 0.936 214 D HN 0.396 nan 8.370 nan 0.000 0.462 215 S N -0.546 115.194 115.700 0.067 0.000 2.357 215 S HA -0.139 4.332 4.470 0.001 0.000 0.221 215 S C 1.754 176.373 174.600 0.032 0.000 1.031 215 S CA 0.343 58.570 58.200 0.045 0.000 0.982 215 S CB -0.354 62.889 63.200 0.073 0.000 0.853 215 S HN 0.167 nan 8.310 nan 0.000 0.458 216 F N 2.253 122.149 119.950 -0.091 0.000 2.069 216 F HA -0.038 4.490 4.527 0.001 0.000 0.298 216 F C 1.827 177.550 175.800 -0.127 0.000 1.113 216 F CA 1.405 59.339 58.000 -0.111 0.000 1.214 216 F CB -0.810 38.165 39.000 -0.043 0.000 0.978 216 F HN 0.231 nan 8.300 nan 0.000 0.474 217 I N 0.341 120.748 120.570 -0.271 0.000 2.099 217 I HA -0.322 3.848 4.170 0.001 0.000 0.239 217 I C 2.402 178.079 176.117 -0.733 0.000 1.066 217 I CA 1.900 62.840 61.300 -0.600 0.000 1.324 217 I CB -0.655 37.111 38.000 -0.390 0.000 1.037 217 I HN 0.154 nan 8.210 nan 0.000 0.401 218 E N 0.703 120.684 120.200 -0.366 0.000 2.065 218 E HA -0.265 4.085 4.350 0.001 0.000 0.201 218 E C 1.973 178.474 176.600 -0.164 0.000 1.016 218 E CA 1.542 57.819 56.400 -0.205 0.000 0.818 218 E CB -0.210 29.459 29.700 -0.052 0.000 0.749 218 E HN 0.427 nan 8.360 nan 0.000 0.453 219 N N 0.408 119.034 118.700 -0.124 0.000 2.223 219 N HA -0.139 4.602 4.740 0.001 0.000 0.185 219 N C 1.904 177.435 175.510 0.034 0.000 1.016 219 N CA 0.778 53.834 53.050 0.010 0.000 0.863 219 N CB -0.080 38.425 38.487 0.030 0.000 0.983 219 N HN 0.172 nan 8.380 nan 0.000 0.429 220 L N -0.180 120.911 121.223 -0.220 0.000 2.027 220 L HA -0.107 4.233 4.340 0.001 0.000 0.206 220 L C 2.076 178.837 176.870 -0.181 0.000 1.074 220 L CA 1.096 55.762 54.840 -0.290 0.000 0.745 220 L CB -0.501 41.202 42.059 -0.594 0.000 0.898 220 L HN 0.122 nan 8.230 nan 0.000 0.433 221 F N -0.393 119.430 119.950 -0.212 0.000 2.202 221 F HA -0.257 4.271 4.527 0.001 0.000 0.301 221 F C 2.608 178.297 175.800 -0.185 0.000 1.082 221 F CA 0.336 58.185 58.000 -0.252 0.000 1.313 221 F CB -0.412 38.441 39.000 -0.246 0.000 1.024 221 F HN 0.113 nan 8.300 nan 0.000 0.495 222 A N 0.224 123.082 122.820 0.064 0.000 1.972 222 A HA -0.109 4.212 4.320 0.001 0.000 0.219 222 A C 2.129 179.719 177.584 0.009 0.000 1.169 222 A CA 1.217 53.276 52.037 0.037 0.000 0.635 222 A CB -0.713 18.319 19.000 0.053 0.000 0.810 222 A HN 0.435 nan 8.150 nan 0.000 0.446 223 L N -1.004 120.210 121.223 -0.014 0.000 2.354 223 L HA 0.156 4.497 4.340 0.001 0.000 0.212 223 L C 1.543 178.381 176.870 -0.053 0.000 1.091 223 L CA 0.150 54.962 54.840 -0.047 0.000 0.828 223 L CB -0.389 41.604 42.059 -0.110 0.000 0.973 223 L HN 0.353 nan 8.230 nan 0.000 0.461 224 A N 0.682 123.444 122.820 -0.098 0.000 2.540 224 A HA 0.313 4.633 4.320 0.001 0.000 0.264 224 A C 1.259 178.823 177.584 -0.033 0.000 1.080 224 A CA 1.028 52.970 52.037 -0.158 0.000 0.776 224 A CB -0.687 17.925 19.000 -0.646 0.000 1.011 224 A HN 0.630 nan 8.150 nan 0.000 0.514 225 G N 1.798 110.658 108.800 0.101 0.000 2.192 225 G HA2 -0.176 3.785 3.960 0.001 0.000 0.193 225 G HA3 -0.176 3.785 3.960 0.001 0.000 0.193 225 G C 0.043 174.966 174.900 0.037 0.000 0.999 225 G CA 0.103 45.251 45.100 0.080 0.000 0.659 225 G HN 0.922 nan 8.290 nan 0.000 0.503 226 D N 0.853 121.266 120.400 0.021 0.000 2.458 226 D HA 0.124 4.765 4.640 0.001 0.000 0.243 226 D C 1.355 177.653 176.300 -0.002 0.000 1.146 226 D CA 0.207 54.206 54.000 -0.002 0.000 0.877 226 D CB 0.601 41.385 40.800 -0.027 0.000 1.176 226 D HN 0.459 nan 8.370 nan 0.000 0.461 227 E N 1.900 122.096 120.200 -0.006 0.000 2.153 227 E HA -0.204 4.147 4.350 0.001 0.000 0.194 227 E C 0.237 176.826 176.600 -0.019 0.000 0.988 227 E CA 0.691 57.086 56.400 -0.009 0.000 0.811 227 E CB 0.162 29.857 29.700 -0.009 0.000 0.746 227 E HN 0.452 nan 8.360 nan 0.000 0.466 228 E N 0.752 120.936 120.200 -0.028 0.000 2.299 228 E HA -0.007 4.343 4.350 0.001 0.000 0.272 228 E C -2.022 174.551 176.600 -0.045 0.000 1.043 228 E CA -1.615 54.760 56.400 -0.041 0.000 0.895 228 E CB 1.170 30.837 29.700 -0.054 0.000 1.011 228 E HN -0.158 nan 8.360 nan 0.000 0.432 229 P HA -0.153 nan 4.420 nan 0.000 0.216 229 P C 0.716 177.984 177.300 -0.054 0.000 1.150 229 P CA 1.045 64.120 63.100 -0.043 0.000 0.837 229 P CB 0.301 31.977 31.700 -0.039 0.000 0.786 230 E N -0.276 119.882 120.200 -0.070 0.000 2.072 230 E HA -0.123 4.227 4.350 0.001 0.000 0.191 230 E C 1.827 178.362 176.600 -0.108 0.000 0.985 230 E CA 0.984 57.330 56.400 -0.091 0.000 0.801 230 E CB -1.086 28.544 29.700 -0.116 0.000 0.750 230 E HN -0.087 nan 8.360 nan 0.000 0.452 231 V N 0.597 120.441 119.914 -0.117 0.000 2.295 231 V HA -0.249 3.871 4.120 0.001 0.000 0.246 231 V C 2.507 178.545 176.094 -0.094 0.000 1.049 231 V CA 2.200 64.417 62.300 -0.137 0.000 1.024 231 V CB -0.513 31.230 31.823 -0.134 0.000 0.648 231 V HN 0.236 nan 8.190 nan 0.000 0.447 232 R N 0.473 120.944 120.500 -0.049 0.000 2.091 232 R HA -0.233 4.107 4.340 0.001 0.000 0.238 232 R C 2.451 178.750 176.300 -0.001 0.000 1.136 232 R CA 2.134 58.235 56.100 0.001 0.000 0.959 232 R CB -0.291 30.012 30.300 0.004 0.000 0.856 232 R HN 0.734 nan 8.270 nan 0.000 0.437 233 K N -0.169 120.214 120.400 -0.028 0.000 2.097 233 K HA -0.053 4.267 4.320 0.001 0.000 0.205 233 K C 1.636 178.226 176.600 -0.017 0.000 1.050 233 K CA 1.550 57.823 56.287 -0.023 0.000 0.938 233 K CB -0.201 32.283 32.500 -0.027 0.000 0.718 233 K HN 0.031 nan 8.250 nan 0.000 0.442 234 N N 1.096 119.772 118.700 -0.040 0.000 2.149 234 N HA -0.137 4.604 4.740 0.001 0.000 0.188 234 N C 1.888 177.385 175.510 -0.021 0.000 1.019 234 N CA 1.643 54.667 53.050 -0.042 0.000 0.857 234 N CB -0.278 38.152 38.487 -0.096 0.000 0.997 234 N HN 0.103 nan 8.380 nan 0.000 0.426 235 V N 0.981 120.876 119.914 -0.031 0.000 2.343 235 V HA -0.240 3.880 4.120 0.001 0.000 0.247 235 V C 2.564 178.688 176.094 0.051 0.000 1.051 235 V CA 1.237 63.529 62.300 -0.013 0.000 1.036 235 V CB -0.674 31.151 31.823 0.002 0.000 0.654 235 V HN 0.354 nan 8.190 nan 0.000 0.451 236 C N -0.179 119.163 119.300 0.070 0.000 2.453 236 C HA -0.114 4.347 4.460 0.001 0.000 0.277 236 C C 2.930 177.959 174.990 0.065 0.000 1.262 236 C CA 1.131 60.187 59.018 0.063 0.000 1.718 236 C CB -1.020 26.721 27.740 0.002 0.000 2.031 236 C HN 0.588 nan 8.230 nan 0.000 0.480 237 R N 1.781 122.308 120.500 0.045 0.000 2.103 237 R HA -0.133 4.208 4.340 0.001 0.000 0.242 237 R C 2.118 178.461 176.300 0.073 0.000 1.142 237 R CA 2.142 58.271 56.100 0.048 0.000 0.960 237 R CB -0.613 29.704 30.300 0.028 0.000 0.858 237 R HN 0.468 nan 8.270 nan 0.000 0.439 238 A N 0.307 123.180 122.820 0.088 0.000 1.873 238 A HA -0.080 4.241 4.320 0.001 0.000 0.215 238 A C 2.229 179.885 177.584 0.118 0.000 1.186 238 A CA 1.431 53.553 52.037 0.143 0.000 0.616 238 A CB -0.579 18.514 19.000 0.154 0.000 0.823 238 A HN 0.370 nan 8.150 nan 0.000 0.442 239 L N -0.493 120.785 121.223 0.093 0.000 2.201 239 L HA -0.128 4.212 4.340 0.001 0.000 0.212 239 L C 2.410 179.391 176.870 0.185 0.000 1.105 239 L CA 0.586 55.509 54.840 0.138 0.000 0.775 239 L CB -0.313 41.847 42.059 0.168 0.000 0.913 239 L HN 0.248 nan 8.230 nan 0.000 0.440 240 V N -0.578 119.426 119.914 0.150 0.000 2.323 240 V HA -0.279 3.841 4.120 0.001 0.000 0.244 240 V C 2.415 178.516 176.094 0.011 0.000 1.041 240 V CA 1.711 64.048 62.300 0.062 0.000 1.025 240 V CB -0.284 31.567 31.823 0.046 0.000 0.656 240 V HN 0.355 nan 8.190 nan 0.000 0.451 241 M N -0.652 118.977 119.600 0.048 0.000 2.080 241 M HA -0.195 4.286 4.480 0.001 0.000 0.260 241 M C 2.095 178.427 176.300 0.054 0.000 1.068 241 M CA 1.989 57.316 55.300 0.045 0.000 1.109 241 M CB -0.457 32.186 32.600 0.072 0.000 1.342 241 M HN 0.239 nan 8.290 nan 0.000 0.405 242 L N -0.424 120.855 121.223 0.092 0.000 2.275 242 L HA -0.187 4.153 4.340 0.001 0.000 0.215 242 L C 2.266 179.166 176.870 0.050 0.000 1.119 242 L CA 0.151 55.049 54.840 0.097 0.000 0.790 242 L CB -0.457 41.681 42.059 0.132 0.000 0.919 242 L HN 0.294 nan 8.230 nan 0.000 0.443 243 L N 0.627 121.856 121.223 0.009 0.000 2.083 243 L HA -0.193 4.147 4.340 0.001 0.000 0.209 243 L C 2.784 179.621 176.870 -0.055 0.000 1.083 243 L CA 2.497 57.303 54.840 -0.056 0.000 0.752 243 L CB -0.814 41.124 42.059 -0.202 0.000 0.899 243 L HN 0.332 nan 8.230 nan 0.000 0.433 244 E N -1.959 118.215 120.200 -0.044 0.000 2.140 244 E HA 0.011 4.361 4.350 0.001 0.000 0.191 244 E C 2.196 178.789 176.600 -0.012 0.000 0.973 244 E CA 1.283 57.661 56.400 -0.037 0.000 0.829 244 E CB -0.803 28.872 29.700 -0.042 0.000 0.781 244 E HN 0.263 nan 8.360 nan 0.000 0.466 245 V N -0.477 119.441 119.914 0.008 0.000 2.500 245 V HA 0.167 4.288 4.120 0.001 0.000 0.243 245 V C 1.616 177.727 176.094 0.029 0.000 1.039 245 V CA 1.456 63.769 62.300 0.020 0.000 1.053 245 V CB 0.345 32.188 31.823 0.034 0.000 0.695 245 V HN 0.362 nan 8.190 nan 0.000 0.463 246 R N -0.685 119.839 120.500 0.041 0.000 2.795 246 R HA 0.326 4.666 4.340 0.001 0.000 0.320 246 R C 0.788 177.116 176.300 0.047 0.000 1.223 246 R CA -0.109 56.021 56.100 0.049 0.000 1.305 246 R CB -0.103 30.242 30.300 0.075 0.000 1.318 246 R HN 0.284 nan 8.270 nan 0.000 0.636 247 M N 0.722 120.339 119.600 0.029 0.000 2.149 247 M HA -0.171 4.309 4.480 0.001 0.000 0.261 247 M C 1.180 177.499 176.300 0.032 0.000 1.064 247 M CA 2.163 57.477 55.300 0.024 0.000 1.102 247 M CB -0.049 32.554 32.600 0.004 0.000 1.369 247 M HN 0.389 nan 8.290 nan 0.000 0.408 248 D N -0.961 119.456 120.400 0.029 0.000 2.182 248 D HA -0.226 4.414 4.640 0.001 0.000 0.201 248 D C 1.600 177.920 176.300 0.033 0.000 0.986 248 D CA 1.117 55.133 54.000 0.026 0.000 0.847 248 D CB -0.608 40.205 40.800 0.021 0.000 0.942 248 D HN 0.353 nan 8.370 nan 0.000 0.467 249 R N -0.201 120.331 120.500 0.053 0.000 2.276 249 R HA 0.258 4.599 4.340 0.001 0.000 0.196 249 R C 2.220 178.593 176.300 0.122 0.000 0.961 249 R CA 0.002 56.147 56.100 0.076 0.000 1.024 249 R CB 0.016 30.366 30.300 0.084 0.000 0.940 249 R HN 0.358 nan 8.270 nan 0.000 0.480 250 L N -0.531 120.762 121.223 0.116 0.000 2.408 250 L HA 0.019 4.360 4.340 0.001 0.000 0.215 250 L C 1.998 178.936 176.870 0.113 0.000 1.081 250 L CA -0.014 54.930 54.840 0.173 0.000 0.840 250 L CB -0.275 41.881 42.059 0.162 0.000 1.002 250 L HN 0.026 nan 8.230 nan 0.000 0.468 251 L N 1.541 122.795 121.223 0.051 0.000 2.051 251 L HA -0.168 4.173 4.340 0.001 0.000 0.214 251 L C -0.333 176.531 176.870 -0.009 0.000 1.076 251 L CA 2.330 57.182 54.840 0.020 0.000 0.758 251 L CB -1.366 40.702 42.059 0.014 0.000 0.890 251 L HN 0.117 nan 8.230 nan 0.000 0.433 252 P HA -0.138 nan 4.420 nan 0.000 0.216 252 P C 0.799 177.976 177.300 -0.205 0.000 1.150 252 P CA 1.544 64.523 63.100 -0.202 0.000 0.837 252 P CB -0.144 31.316 31.700 -0.400 0.000 0.786 253 H N -2.684 116.442 119.070 0.095 0.000 2.549 253 H HA 0.255 4.811 4.556 0.001 0.000 0.279 253 H C 1.613 176.966 175.328 0.043 0.000 1.018 253 H CA -0.098 55.986 56.048 0.059 0.000 1.175 253 H CB -0.144 29.663 29.762 0.074 0.000 1.485 253 H HN 0.063 nan 8.280 nan 0.000 0.543 254 M N 0.845 120.510 119.600 0.108 0.000 2.255 254 M HA -0.217 4.264 4.480 0.001 0.000 0.260 254 M C 2.051 178.331 176.300 -0.034 0.000 1.069 254 M CA 1.878 57.187 55.300 0.014 0.000 1.089 254 M CB -0.697 31.835 32.600 -0.114 0.000 1.269 254 M HN 0.300 nan 8.290 nan 0.000 0.434 255 H N -1.216 117.921 119.070 0.111 0.000 2.460 255 H HA -0.133 4.424 4.556 0.001 0.000 0.297 255 H C 1.919 177.293 175.328 0.077 0.000 1.103 255 H CA 1.794 57.918 56.048 0.127 0.000 1.292 255 H CB -0.741 29.161 29.762 0.234 0.000 1.376 255 H HN 0.610 nan 8.280 nan 0.000 0.531 256 N N 0.087 118.875 118.700 0.146 0.000 2.300 256 N HA -0.023 4.718 4.740 0.001 0.000 0.179 256 N C 1.874 177.361 175.510 -0.039 0.000 1.016 256 N CA 0.167 53.238 53.050 0.034 0.000 0.876 256 N CB 0.223 38.688 38.487 -0.037 0.000 0.979 256 N HN 0.162 nan 8.380 nan 0.000 0.432 257 I N -0.220 120.331 120.570 -0.033 0.000 2.233 257 I HA -0.193 3.978 4.170 0.001 0.000 0.243 257 I C 1.929 177.960 176.117 -0.144 0.000 1.093 257 I CA 0.545 61.812 61.300 -0.056 0.000 1.380 257 I CB -0.157 37.864 38.000 0.035 0.000 1.067 257 I HN -0.021 nan 8.210 nan 0.000 0.413 258 V N 1.340 121.171 119.914 -0.138 0.000 2.252 258 V HA -0.350 3.770 4.120 0.001 0.000 0.249 258 V C 3.039 179.100 176.094 -0.055 0.000 1.056 258 V CA 2.686 64.889 62.300 -0.162 0.000 1.022 258 V CB -1.483 30.181 31.823 -0.266 0.000 0.641 258 V HN 0.630 nan 8.190 nan 0.000 0.445 259 E N -0.944 119.252 120.200 -0.006 0.000 2.209 259 E HA -0.328 4.023 4.350 0.001 0.000 0.196 259 E C 1.929 178.567 176.600 0.063 0.000 0.993 259 E CA 1.661 58.109 56.400 0.079 0.000 0.819 259 E CB -0.943 28.834 29.700 0.129 0.000 0.745 259 E HN 0.844 nan 8.360 nan 0.000 0.477 260 Y N 0.388 120.629 120.300 -0.099 0.000 2.184 260 Y HA -0.079 4.472 4.550 0.001 0.000 0.290 260 Y C 2.342 178.157 175.900 -0.141 0.000 1.129 260 Y CA 2.081 60.109 58.100 -0.120 0.000 1.144 260 Y CB -0.009 38.358 38.460 -0.154 0.000 0.995 260 Y HN 0.154 nan 8.280 nan 0.000 0.513 261 M N -0.512 118.892 119.600 -0.327 0.000 2.175 261 M HA -0.161 4.320 4.480 0.001 0.000 0.264 261 M C 2.308 178.570 176.300 -0.063 0.000 1.063 261 M CA 1.279 56.286 55.300 -0.489 0.000 1.119 261 M CB -1.195 30.754 32.600 -1.085 0.000 1.377 261 M HN 0.462 nan 8.290 nan 0.000 0.415 262 L N 0.796 122.136 121.223 0.195 0.000 2.043 262 L HA -0.264 4.077 4.340 0.001 0.000 0.212 262 L C 2.701 179.603 176.870 0.054 0.000 1.075 262 L CA 1.680 56.666 54.840 0.243 0.000 0.752 262 L CB -0.308 41.838 42.059 0.144 0.000 0.891 262 L HN 0.306 nan 8.230 nan 0.000 0.432 263 Q N -0.713 119.056 119.800 -0.053 0.000 2.123 263 Q HA -0.112 4.229 4.340 0.001 0.000 0.199 263 Q C 2.339 178.246 176.000 -0.155 0.000 0.966 263 Q CA 0.995 56.739 55.803 -0.098 0.000 0.845 263 Q CB -0.215 28.456 28.738 -0.110 0.000 0.907 263 Q HN 0.438 nan 8.270 nan 0.000 0.439 264 R N -0.016 120.318 120.500 -0.277 0.000 2.115 264 R HA 0.013 4.353 4.340 0.001 0.000 0.226 264 R C 2.135 178.366 176.300 -0.115 0.000 1.100 264 R CA 0.995 56.926 56.100 -0.283 0.000 0.980 264 R CB -1.070 28.944 30.300 -0.476 0.000 0.875 264 R HN 0.258 nan 8.270 nan 0.000 0.445 265 T N 1.135 115.682 114.554 -0.011 0.000 2.849 265 T HA -0.149 4.201 4.350 0.001 0.000 0.270 265 T C 1.590 176.300 174.700 0.018 0.000 1.066 265 T CA 1.151 63.303 62.100 0.087 0.000 1.130 265 T CB -0.028 69.007 68.868 0.278 0.000 0.864 265 T HN 0.293 nan 8.240 nan 0.000 0.481 266 Q N 0.450 120.241 119.800 -0.015 0.000 2.360 266 Q HA 0.072 4.412 4.340 0.001 0.000 0.202 266 Q C 0.320 176.293 176.000 -0.045 0.000 0.915 266 Q CA -0.281 55.502 55.803 -0.032 0.000 0.943 266 Q CB 0.270 28.987 28.738 -0.034 0.000 1.064 266 Q HN 0.430 nan 8.270 nan 0.000 0.511 267 D N -0.164 120.202 120.400 -0.057 0.000 2.478 267 D HA -0.120 4.521 4.640 0.001 0.000 0.234 267 D C 1.119 177.391 176.300 -0.047 0.000 1.154 267 D CA 0.882 54.845 54.000 -0.062 0.000 0.874 267 D CB 1.063 41.818 40.800 -0.075 0.000 1.198 267 D HN 0.362 nan 8.370 nan 0.000 0.455 268 Q N 3.259 123.033 119.800 -0.043 0.000 2.152 268 Q HA -0.181 4.160 4.340 0.001 0.000 0.206 268 Q C 0.908 176.887 176.000 -0.035 0.000 0.985 268 Q CA 1.775 57.556 55.803 -0.036 0.000 0.863 268 Q CB -0.280 28.440 28.738 -0.031 0.000 0.904 268 Q HN 0.682 nan 8.270 nan 0.000 0.422 269 D N -1.065 119.313 120.400 -0.036 0.000 2.225 269 D HA 0.384 5.025 4.640 0.001 0.000 0.248 269 D C 1.114 177.394 176.300 -0.033 0.000 1.096 269 D CA 0.654 54.634 54.000 -0.033 0.000 0.863 269 D CB 1.373 42.153 40.800 -0.033 0.000 1.156 269 D HN 0.388 nan 8.370 nan 0.000 0.450 270 E N 3.974 124.156 120.200 -0.030 0.000 2.204 270 E HA -0.197 4.154 4.350 0.001 0.000 0.194 270 E C 1.351 177.937 176.600 -0.023 0.000 0.989 270 E CA 1.071 57.453 56.400 -0.030 0.000 0.824 270 E CB -0.562 29.120 29.700 -0.030 0.000 0.756 270 E HN 0.564 nan 8.360 nan 0.000 0.477 271 N N 0.544 119.233 118.700 -0.019 0.000 2.080 271 N HA -0.121 4.620 4.740 0.001 0.000 0.189 271 N C 2.165 177.668 175.510 -0.011 0.000 1.036 271 N CA 1.934 54.978 53.050 -0.010 0.000 0.846 271 N CB -0.565 37.914 38.487 -0.013 0.000 1.015 271 N HN 0.348 nan 8.380 nan 0.000 0.423 272 V N 2.212 122.111 119.914 -0.025 0.000 2.324 272 V HA -0.238 3.883 4.120 0.001 0.000 0.250 272 V C 2.657 178.729 176.094 -0.036 0.000 1.060 272 V CA 1.922 64.201 62.300 -0.035 0.000 1.042 272 V CB -1.207 30.586 31.823 -0.051 0.000 0.650 272 V HN 0.309 nan 8.190 nan 0.000 0.450 273 A N 0.036 122.837 122.820 -0.032 0.000 1.908 273 A HA -0.225 4.095 4.320 0.001 0.000 0.218 273 A C 2.197 179.785 177.584 0.007 0.000 1.181 273 A CA 2.291 54.316 52.037 -0.019 0.000 0.627 273 A CB -0.611 18.374 19.000 -0.024 0.000 0.818 273 A HN 0.478 nan 8.150 nan 0.000 0.445 274 L N -0.562 120.665 121.223 0.006 0.000 2.056 274 L HA -0.088 4.252 4.340 0.001 0.000 0.207 274 L C 2.119 179.032 176.870 0.072 0.000 1.078 274 L CA 2.204 57.063 54.840 0.032 0.000 0.749 274 L CB -0.571 41.505 42.059 0.027 0.000 0.901 274 L HN 0.327 nan 8.230 nan 0.000 0.433 275 E N -0.115 120.112 120.200 0.045 0.000 2.107 275 E HA -0.095 4.255 4.350 0.001 0.000 0.191 275 E C 2.175 178.785 176.600 0.017 0.000 0.982 275 E CA 1.157 57.583 56.400 0.043 0.000 0.809 275 E CB -0.238 29.476 29.700 0.022 0.000 0.756 275 E HN 0.618 nan 8.360 nan 0.000 0.459 276 A N 0.558 123.364 122.820 -0.023 0.000 1.898 276 A HA -0.175 4.145 4.320 0.001 0.000 0.216 276 A C 2.538 180.070 177.584 -0.087 0.000 1.181 276 A CA 1.341 53.319 52.037 -0.099 0.000 0.620 276 A CB -1.049 17.873 19.000 -0.130 0.000 0.819 276 A HN 0.408 nan 8.150 nan 0.000 0.442 277 C N -0.426 118.917 119.300 0.073 0.000 2.419 277 C HA -0.067 4.393 4.460 0.001 0.000 0.281 277 C C 2.519 177.628 174.990 0.198 0.000 1.336 277 C CA 1.463 60.629 59.018 0.245 0.000 1.770 277 C CB -1.244 26.626 27.740 0.217 0.000 1.929 277 C HN 0.717 nan 8.230 nan 0.000 0.509 278 E N -0.672 119.602 120.200 0.124 0.000 2.338 278 E HA -0.161 4.189 4.350 0.001 0.000 0.197 278 E C 1.642 178.247 176.600 0.007 0.000 1.007 278 E CA 0.805 57.282 56.400 0.128 0.000 0.849 278 E CB -0.419 29.354 29.700 0.122 0.000 0.774 278 E HN 0.747 nan 8.360 nan 0.000 0.506 279 F N -0.827 118.925 119.950 -0.330 0.000 2.126 279 F HA -0.194 4.333 4.527 0.001 0.000 0.299 279 F C 1.196 176.756 175.800 -0.400 0.000 1.096 279 F CA 1.744 59.448 58.000 -0.493 0.000 1.255 279 F CB -0.192 38.296 39.000 -0.854 0.000 0.997 279 F HN 0.124 nan 8.300 nan 0.000 0.479 280 W N 0.115 121.531 121.300 0.193 0.000 2.409 280 W HA -0.053 4.608 4.660 0.001 0.000 0.299 280 W C 2.252 178.776 176.519 0.009 0.000 1.203 280 W CA 0.561 57.967 57.345 0.102 0.000 1.298 280 W CB -1.001 28.538 29.460 0.131 0.000 1.127 280 W HN -0.063 nan 8.180 nan 0.000 0.528 281 L N 0.234 121.594 121.223 0.227 0.000 2.043 281 L HA -0.253 4.087 4.340 0.001 0.000 0.212 281 L C 2.386 179.264 176.870 0.012 0.000 1.075 281 L CA 1.769 56.685 54.840 0.128 0.000 0.752 281 L CB -1.022 41.127 42.059 0.150 0.000 0.891 281 L HN 0.050 nan 8.230 nan 0.000 0.432 282 T N -0.515 113.989 114.554 -0.084 0.000 2.851 282 T HA -0.134 4.217 4.350 0.001 0.000 0.262 282 T C 1.768 176.342 174.700 -0.211 0.000 1.043 282 T CA 0.837 62.837 62.100 -0.167 0.000 1.140 282 T CB -0.187 68.539 68.868 -0.238 0.000 0.872 282 T HN 0.085 nan 8.240 nan 0.000 0.446 283 L N 1.708 122.747 121.223 -0.307 0.000 2.083 283 L HA 0.071 4.411 4.340 0.001 0.000 0.209 283 L C 2.605 179.428 176.870 -0.078 0.000 1.083 283 L CA 1.683 56.378 54.840 -0.242 0.000 0.752 283 L CB -1.025 40.894 42.059 -0.234 0.000 0.899 283 L HN 0.241 nan 8.230 nan 0.000 0.433 284 A N -0.629 122.182 122.820 -0.015 0.000 1.978 284 A HA -0.193 4.127 4.320 0.001 0.000 0.220 284 A C 2.284 179.845 177.584 -0.038 0.000 1.170 284 A CA 1.912 53.946 52.037 -0.004 0.000 0.636 284 A CB -1.044 17.977 19.000 0.035 0.000 0.810 284 A HN 0.547 nan 8.150 nan 0.000 0.448 285 E N -0.193 119.979 120.200 -0.046 0.000 2.338 285 E HA -0.052 4.299 4.350 0.001 0.000 0.197 285 E C 0.884 177.452 176.600 -0.054 0.000 1.007 285 E CA 0.883 57.253 56.400 -0.049 0.000 0.849 285 E CB -0.442 29.226 29.700 -0.053 0.000 0.774 285 E HN 0.733 nan 8.360 nan 0.000 0.506 286 Q N -0.333 119.431 119.800 -0.060 0.000 2.243 286 Q HA 0.283 4.623 4.340 0.001 0.000 0.252 286 Q C -1.871 174.104 176.000 -0.042 0.000 0.909 286 Q CA -2.551 53.221 55.803 -0.052 0.000 0.922 286 Q CB 1.438 30.139 28.738 -0.062 0.000 1.215 286 Q HN 0.019 nan 8.270 nan 0.000 0.427 287 P HA -0.231 nan 4.420 nan 0.000 0.217 287 P C 1.361 178.650 177.300 -0.017 0.000 1.162 287 P CA 1.589 64.673 63.100 -0.027 0.000 0.901 287 P CB -0.122 31.568 31.700 -0.017 0.000 0.793 288 I N -3.056 117.510 120.570 -0.006 0.000 2.530 288 I HA -0.255 3.916 4.170 0.001 0.000 0.257 288 I C 2.424 178.558 176.117 0.028 0.000 1.179 288 I CA 1.173 62.482 61.300 0.015 0.000 1.440 288 I CB -1.653 36.356 38.000 0.016 0.000 1.087 288 I HN 0.021 nan 8.210 nan 0.000 0.440 289 C N 2.319 121.623 119.300 0.008 0.000 2.369 289 C HA -0.293 4.168 4.460 0.001 0.000 0.273 289 C C 2.926 177.957 174.990 0.068 0.000 1.172 289 C CA 2.190 61.225 59.018 0.028 0.000 1.791 289 C CB -0.992 26.737 27.740 -0.018 0.000 2.086 289 C HN 0.610 nan 8.230 nan 0.000 0.459 290 K N 0.337 120.730 120.400 -0.011 0.000 1.987 290 K HA -0.183 4.138 4.320 0.001 0.000 0.216 290 K C 1.524 178.282 176.600 0.264 0.000 1.051 290 K CA 2.410 58.702 56.287 0.008 0.000 0.942 290 K CB -0.561 31.904 32.500 -0.058 0.000 0.722 290 K HN 0.533 nan 8.250 nan 0.000 0.444 291 D N 0.535 121.038 120.400 0.172 0.000 2.117 291 D HA -0.106 4.534 4.640 0.001 0.000 0.198 291 D C 1.962 178.394 176.300 0.220 0.000 0.982 291 D CA 0.807 54.917 54.000 0.182 0.000 0.828 291 D CB -0.134 40.743 40.800 0.129 0.000 0.967 291 D HN -0.060 nan 8.370 nan 0.000 0.464 292 V N 0.485 120.519 119.914 0.200 0.000 2.427 292 V HA -0.151 3.969 4.120 0.001 0.000 0.248 292 V C 2.311 178.592 176.094 0.312 0.000 1.051 292 V CA 1.150 63.578 62.300 0.213 0.000 1.048 292 V CB -0.331 31.521 31.823 0.047 0.000 0.666 292 V HN 0.247 nan 8.190 nan 0.000 0.456 293 L N -0.859 120.548 121.223 0.306 0.000 2.209 293 L HA -0.045 4.295 4.340 0.001 0.000 0.207 293 L C 2.442 179.467 176.870 0.258 0.000 1.094 293 L CA 0.473 55.519 54.840 0.343 0.000 0.790 293 L CB -0.230 42.029 42.059 0.334 0.000 0.932 293 L HN 0.169 nan 8.230 nan 0.000 0.447 294 V N 1.234 121.249 119.914 0.169 0.000 2.251 294 V HA -0.455 3.665 4.120 0.001 0.000 0.259 294 V C 2.677 178.714 176.094 -0.095 0.000 1.078 294 V CA 2.739 65.001 62.300 -0.063 0.000 1.072 294 V CB -0.928 30.905 31.823 0.017 0.000 0.681 294 V HN 0.635 nan 8.190 nan 0.000 0.454 295 R N -0.418 120.066 120.500 -0.028 0.000 2.189 295 R HA -0.135 4.205 4.340 0.001 0.000 0.223 295 R C 1.824 177.978 176.300 -0.244 0.000 1.092 295 R CA 1.856 57.863 56.100 -0.155 0.000 0.989 295 R CB -0.743 29.423 30.300 -0.223 0.000 0.876 295 R HN 0.675 nan 8.270 nan 0.000 0.457 296 H N 0.608 119.665 119.070 -0.021 0.000 2.553 296 H HA 0.178 4.735 4.556 0.001 0.000 0.265 296 H C 2.115 177.354 175.328 -0.149 0.000 0.964 296 H CA 0.166 56.191 56.048 -0.038 0.000 1.156 296 H CB 0.294 30.080 29.762 0.039 0.000 1.411 296 H HN 0.136 nan 8.280 nan 0.000 0.558 297 L N 1.075 122.197 121.223 -0.168 0.000 2.013 297 L HA -0.141 4.199 4.340 0.001 0.000 0.212 297 L C -0.411 176.269 176.870 -0.317 0.000 1.073 297 L CA 1.331 55.936 54.840 -0.391 0.000 0.753 297 L CB -1.613 39.928 42.059 -0.863 0.000 0.890 297 L HN 0.175 nan 8.230 nan 0.000 0.432 298 P HA -0.204 nan 4.420 nan 0.000 0.219 298 P C 1.186 178.455 177.300 -0.052 0.000 1.144 298 P CA 1.605 64.683 63.100 -0.037 0.000 0.806 298 P CB 0.052 31.747 31.700 -0.008 0.000 0.771 299 K N -2.556 117.799 120.400 -0.074 0.000 2.436 299 K HA 0.123 4.444 4.320 0.001 0.000 0.198 299 K C 1.640 178.168 176.600 -0.120 0.000 1.174 299 K CA -0.116 56.132 56.287 -0.064 0.000 0.951 299 K CB -0.284 32.204 32.500 -0.020 0.000 1.040 299 K HN -0.014 nan 8.250 nan 0.000 0.536 300 L N 1.591 122.704 121.223 -0.183 0.000 2.023 300 L HA -0.009 4.331 4.340 0.001 0.000 0.205 300 L C 1.800 178.491 176.870 -0.298 0.000 1.073 300 L CA 1.568 56.204 54.840 -0.340 0.000 0.745 300 L CB -0.222 41.556 42.059 -0.468 0.000 0.900 300 L HN 0.051 nan 8.230 nan 0.000 0.435 301 I N 0.039 120.475 120.570 -0.223 0.000 2.163 301 I HA -0.224 3.947 4.170 0.001 0.000 0.243 301 I C -0.432 175.612 176.117 -0.122 0.000 1.085 301 I CA 1.587 62.791 61.300 -0.160 0.000 1.347 301 I CB -1.389 36.545 38.000 -0.110 0.000 1.044 301 I HN 0.255 nan 8.210 nan 0.000 0.408 302 P HA -0.156 nan 4.420 nan 0.000 0.217 302 P C 1.886 179.131 177.300 -0.091 0.000 1.148 302 P CA 1.269 64.322 63.100 -0.077 0.000 0.828 302 P CB 0.031 31.695 31.700 -0.061 0.000 0.783 303 V N -1.063 118.780 119.914 -0.118 0.000 2.346 303 V HA -0.166 3.954 4.120 0.001 0.000 0.244 303 V C 2.410 178.430 176.094 -0.122 0.000 1.037 303 V CA 1.347 63.578 62.300 -0.115 0.000 1.029 303 V CB -1.056 30.692 31.823 -0.125 0.000 0.663 303 V HN 0.034 nan 8.190 nan 0.000 0.454 304 L N -0.334 120.790 121.223 -0.165 0.000 1.970 304 L HA -0.189 4.151 4.340 0.001 0.000 0.212 304 L C 2.505 179.309 176.870 -0.111 0.000 1.071 304 L CA 1.532 56.285 54.840 -0.145 0.000 0.751 304 L CB -0.856 41.099 42.059 -0.173 0.000 0.889 304 L HN 0.171 nan 8.230 nan 0.000 0.432 305 V N 0.128 119.981 119.914 -0.102 0.000 2.370 305 V HA -0.361 3.759 4.120 0.001 0.000 0.252 305 V C 2.148 178.185 176.094 -0.095 0.000 1.068 305 V CA 2.387 64.635 62.300 -0.088 0.000 1.061 305 V CB -0.924 30.856 31.823 -0.071 0.000 0.656 305 V HN 0.528 nan 8.190 nan 0.000 0.455 306 N N 0.438 119.083 118.700 -0.091 0.000 2.188 306 N HA -0.083 4.658 4.740 0.001 0.000 0.184 306 N C 1.735 177.184 175.510 -0.102 0.000 1.018 306 N CA 1.155 54.151 53.050 -0.089 0.000 0.858 306 N CB -0.323 38.118 38.487 -0.077 0.000 0.989 306 N HN 0.454 nan 8.380 nan 0.000 0.426 307 G N -0.647 108.091 108.800 -0.104 0.000 2.776 307 G HA2 -0.063 3.897 3.960 0.001 0.000 0.209 307 G HA3 -0.063 3.897 3.960 0.001 0.000 0.209 307 G C 0.927 175.736 174.900 -0.153 0.000 1.145 307 G CA 0.076 45.109 45.100 -0.111 0.000 0.791 307 G HN 0.310 nan 8.290 nan 0.000 0.530 308 M N -0.155 119.345 119.600 -0.167 0.000 2.453 308 M HA 0.266 4.747 4.480 0.001 0.000 0.239 308 M C 0.942 177.057 176.300 -0.307 0.000 1.151 308 M CA 0.183 55.349 55.300 -0.224 0.000 0.989 308 M CB 0.476 32.969 32.600 -0.178 0.000 1.548 308 M HN -0.015 nan 8.290 nan 0.000 0.479 309 K N -0.115 120.125 120.400 -0.267 0.000 2.760 309 K HA 0.476 4.796 4.320 0.001 0.000 0.285 309 K C -0.949 175.436 176.600 -0.359 0.000 1.016 309 K CA -0.350 55.755 56.287 -0.304 0.000 1.087 309 K CB 0.698 33.103 32.500 -0.158 0.000 1.427 309 K HN -0.118 nan 8.250 nan 0.000 0.524 310 Y N -2.719 117.506 120.300 -0.125 0.000 2.818 310 Y HA 0.545 5.095 4.550 0.001 0.000 0.322 310 Y C 0.498 176.301 175.900 -0.161 0.000 1.323 310 Y CA -1.365 56.659 58.100 -0.127 0.000 1.090 310 Y CB 0.958 39.357 38.460 -0.102 0.000 1.328 310 Y HN 0.567 nan 8.280 nan 0.000 0.482 311 S N -0.979 114.743 115.700 0.038 0.000 5.096 311 S HA -0.015 4.455 4.470 0.001 0.000 0.162 311 S C 0.932 175.476 174.600 -0.092 0.000 1.106 311 S CA 0.793 58.947 58.200 -0.077 0.000 1.330 311 S CB -0.708 62.447 63.200 -0.074 0.000 1.881 311 S HN 0.773 nan 8.310 nan 0.000 0.584 312 D N 1.762 122.127 120.400 -0.058 0.000 2.117 312 D HA 0.034 4.675 4.640 0.001 0.000 0.198 312 D C 1.895 178.160 176.300 -0.058 0.000 0.982 312 D CA 1.702 55.669 54.000 -0.054 0.000 0.828 312 D CB -0.491 40.287 40.800 -0.038 0.000 0.967 312 D HN 0.576 nan 8.370 nan 0.000 0.464 313 I N 0.794 121.341 120.570 -0.039 0.000 2.113 313 I HA -0.343 3.828 4.170 0.001 0.000 0.242 313 I C 2.311 178.339 176.117 -0.147 0.000 1.057 313 I CA 1.802 63.075 61.300 -0.045 0.000 1.314 313 I CB -0.601 37.440 38.000 0.069 0.000 1.022 313 I HN 0.178 nan 8.210 nan 0.000 0.408 314 D N 1.299 121.556 120.400 -0.238 0.000 2.154 314 D HA -0.241 4.399 4.640 0.001 0.000 0.190 314 D C 2.096 178.312 176.300 -0.140 0.000 1.003 314 D CA 2.392 56.209 54.000 -0.306 0.000 0.849 314 D CB -0.094 40.493 40.800 -0.355 0.000 0.942 314 D HN 0.567 nan 8.370 nan 0.000 0.446 315 I N -1.505 119.005 120.570 -0.099 0.000 2.676 315 I HA -0.091 4.079 4.170 0.001 0.000 0.259 315 I C 2.298 178.394 176.117 -0.036 0.000 1.194 315 I CA 0.777 62.049 61.300 -0.046 0.000 1.473 315 I CB -0.222 37.754 38.000 -0.040 0.000 1.096 315 I HN -0.065 nan 8.210 nan 0.000 0.443 316 I N 0.501 121.041 120.570 -0.050 0.000 2.353 316 I HA -0.188 3.983 4.170 0.001 0.000 0.248 316 I C 2.325 178.419 176.117 -0.038 0.000 1.119 316 I CA 1.251 62.528 61.300 -0.038 0.000 1.417 316 I CB -0.128 37.850 38.000 -0.036 0.000 1.078 316 I HN 0.283 nan 8.210 nan 0.000 0.421 317 L N -0.194 120.994 121.223 -0.059 0.000 2.156 317 L HA -0.148 4.193 4.340 0.001 0.000 0.208 317 L C 2.232 179.084 176.870 -0.030 0.000 1.095 317 L CA 1.035 55.842 54.840 -0.055 0.000 0.770 317 L CB -0.166 41.832 42.059 -0.102 0.000 0.914 317 L HN 0.260 nan 8.230 nan 0.000 0.439 318 L N -0.310 120.906 121.223 -0.011 0.000 2.375 318 L HA 0.010 4.351 4.340 0.001 0.000 0.215 318 L C 1.757 178.627 176.870 0.000 0.000 1.108 318 L CA -0.113 54.731 54.840 0.006 0.000 0.830 318 L CB -0.403 41.684 42.059 0.047 0.000 0.959 318 L HN 0.101 nan 8.230 nan 0.000 0.457 370 I N -1.181 119.388 120.570 -0.001 0.000 3.501 370 I HA 0.817 4.988 4.170 0.001 0.000 0.297 370 I C 0.600 176.725 176.117 0.014 0.000 1.199 370 I CA -0.945 60.358 61.300 0.004 0.000 0.987 370 I CB 1.192 39.197 38.000 0.009 0.000 1.365 370 I HN 0.603 nan 8.210 nan 0.000 0.574 371 S N 0.759 116.470 115.700 0.018 0.000 2.573 371 S HA -0.001 4.470 4.470 0.001 0.000 0.277 371 S C 0.818 175.452 174.600 0.058 0.000 1.346 371 S CA -0.182 58.040 58.200 0.036 0.000 1.034 371 S CB 0.272 63.495 63.200 0.038 0.000 0.879 371 S HN 0.740 nan 8.310 nan 0.000 0.528 372 D N 1.708 122.162 120.400 0.090 0.000 2.178 372 D HA -0.040 4.600 4.640 0.001 0.000 0.201 372 D C 0.007 176.458 176.300 0.252 0.000 0.980 372 D CA 1.035 55.114 54.000 0.133 0.000 0.842 372 D CB 0.162 41.034 40.800 0.120 0.000 0.948 372 D HN 0.580 nan 8.370 nan 0.000 0.472 373 W N 1.314 122.606 121.300 -0.013 0.000 2.998 373 W HA 0.266 4.926 4.660 0.001 0.000 0.335 373 W C -1.182 175.331 176.519 -0.010 0.000 1.110 373 W CA -0.532 56.805 57.345 -0.014 0.000 1.230 373 W CB 1.415 30.867 29.460 -0.012 0.000 1.405 373 W HN -0.037 nan 8.180 nan 0.000 0.493 374 N N 2.302 120.703 118.700 -0.499 0.000 3.308 374 N HA 0.194 4.934 4.740 0.001 0.000 0.276 374 N C -0.322 174.905 175.510 -0.472 0.000 1.533 374 N CA -0.916 51.932 53.050 -0.335 0.000 0.878 374 N CB 1.303 39.692 38.487 -0.164 0.000 1.566 374 N HN 0.242 nan 8.380 nan 0.000 0.546 375 L N 1.037 122.103 121.223 -0.262 0.000 2.079 375 L HA 0.017 4.357 4.340 0.001 0.000 0.210 375 L C 2.604 179.318 176.870 -0.260 0.000 1.081 375 L CA 1.649 56.358 54.840 -0.218 0.000 0.752 375 L CB -0.775 41.211 42.059 -0.121 0.000 0.896 375 L HN 0.736 nan 8.230 nan 0.000 0.433 376 R N -0.204 120.136 120.500 -0.267 0.000 2.070 376 R HA -0.175 4.165 4.340 0.001 0.000 0.233 376 R C 2.261 178.356 176.300 -0.342 0.000 1.137 376 R CA 1.878 57.811 56.100 -0.279 0.000 0.945 376 R CB -0.162 29.976 30.300 -0.270 0.000 0.845 376 R HN 0.400 nan 8.270 nan 0.000 0.430 377 K N -0.047 120.080 120.400 -0.455 0.000 2.057 377 K HA -0.178 4.143 4.320 0.001 0.000 0.207 377 K C 2.355 178.538 176.600 -0.695 0.000 1.049 377 K CA 1.460 57.408 56.287 -0.566 0.000 0.931 377 K CB -0.510 31.589 32.500 -0.669 0.000 0.714 377 K HN 0.277 nan 8.250 nan 0.000 0.440 378 C N 1.234 119.981 119.300 -0.922 0.000 2.432 378 C HA -0.129 4.331 4.460 0.001 0.000 0.277 378 C C 2.840 177.757 174.990 -0.121 0.000 1.249 378 C CA 1.404 60.113 59.018 -0.515 0.000 1.725 378 C CB -0.862 26.681 27.740 -0.329 0.000 2.028 378 C HN 0.435 nan 8.230 nan 0.000 0.477 379 S N 0.958 116.575 115.700 -0.140 0.000 2.356 379 S HA -0.117 4.354 4.470 0.001 0.000 0.223 379 S C 2.215 176.778 174.600 -0.061 0.000 1.032 379 S CA 1.512 59.675 58.200 -0.062 0.000 1.005 379 S CB -0.715 62.426 63.200 -0.097 0.000 0.867 379 S HN 0.840 nan 8.310 nan 0.000 0.449 380 A N 1.809 124.561 122.820 -0.113 0.000 1.883 380 A HA 0.023 4.344 4.320 0.001 0.000 0.217 380 A C 2.400 179.979 177.584 -0.009 0.000 1.186 380 A CA 1.901 53.889 52.037 -0.081 0.000 0.624 380 A CB -1.242 17.669 19.000 -0.148 0.000 0.822 380 A HN 0.538 nan 8.150 nan 0.000 0.444 381 A N -0.232 122.592 122.820 0.007 0.000 1.902 381 A HA 0.137 4.458 4.320 0.001 0.000 0.217 381 A C 2.524 180.186 177.584 0.130 0.000 1.181 381 A CA 2.227 54.338 52.037 0.123 0.000 0.623 381 A CB -1.071 18.107 19.000 0.297 0.000 0.818 381 A HN 1.125 nan 8.150 nan 0.000 0.443 382 A N -0.605 122.293 122.820 0.130 0.000 1.908 382 A HA -0.068 4.252 4.320 0.001 0.000 0.218 382 A C 2.115 179.753 177.584 0.089 0.000 1.181 382 A CA 1.793 53.918 52.037 0.146 0.000 0.627 382 A CB -0.593 18.521 19.000 0.191 0.000 0.818 382 A HN 0.702 nan 8.150 nan 0.000 0.445 383 L N 0.047 121.298 121.223 0.048 0.000 2.141 383 L HA -0.116 4.224 4.340 0.001 0.000 0.209 383 L C 1.906 178.810 176.870 0.056 0.000 1.094 383 L CA 2.389 57.248 54.840 0.032 0.000 0.763 383 L CB -0.576 41.486 42.059 0.006 0.000 0.908 383 L HN 0.465 nan 8.230 nan 0.000 0.437 384 D N -0.885 119.558 120.400 0.072 0.000 2.097 384 D HA -0.153 4.487 4.640 0.001 0.000 0.195 384 D C 2.056 178.392 176.300 0.061 0.000 0.989 384 D CA 1.704 55.752 54.000 0.080 0.000 0.827 384 D CB 0.163 41.027 40.800 0.105 0.000 0.966 384 D HN 0.238 nan 8.370 nan 0.000 0.456 385 V N 1.213 121.166 119.914 0.065 0.000 2.244 385 V HA -0.223 3.897 4.120 0.001 0.000 0.244 385 V C 2.934 179.048 176.094 0.034 0.000 1.042 385 V CA 1.204 63.532 62.300 0.046 0.000 1.006 385 V CB -0.705 31.152 31.823 0.057 0.000 0.641 385 V HN 0.226 nan 8.190 nan 0.000 0.446 386 L N 0.243 121.502 121.223 0.060 0.000 2.103 386 L HA -0.300 4.041 4.340 0.001 0.000 0.215 386 L C 2.697 179.630 176.870 0.104 0.000 1.080 386 L CA 1.818 56.710 54.840 0.086 0.000 0.764 386 L CB -0.775 41.356 42.059 0.120 0.000 0.890 386 L HN 0.420 nan 8.230 nan 0.000 0.435 387 A N 0.034 122.903 122.820 0.082 0.000 1.902 387 A HA -0.250 4.070 4.320 0.001 0.000 0.217 387 A C 1.965 179.577 177.584 0.046 0.000 1.181 387 A CA 2.279 54.362 52.037 0.077 0.000 0.623 387 A CB -0.762 18.270 19.000 0.053 0.000 0.818 387 A HN 0.528 nan 8.150 nan 0.000 0.443 388 N N -0.707 118.002 118.700 0.015 0.000 2.381 388 N HA -0.028 4.713 4.740 0.001 0.000 0.182 388 N C 1.365 176.846 175.510 -0.048 0.000 1.025 388 N CA 0.987 54.030 53.050 -0.012 0.000 0.888 388 N CB -0.016 38.462 38.487 -0.014 0.000 0.965 388 N HN 0.302 nan 8.380 nan 0.000 0.438 389 V N -0.404 119.453 119.914 -0.095 0.000 2.256 389 V HA -0.164 3.957 4.120 0.001 0.000 0.240 389 V C 1.233 177.161 176.094 -0.276 0.000 1.036 389 V CA 1.464 63.611 62.300 -0.255 0.000 1.008 389 V CB -0.569 30.990 31.823 -0.440 0.000 0.648 389 V HN 0.294 nan 8.190 nan 0.000 0.453 390 Y N -0.335 119.981 120.300 0.027 0.000 2.475 390 Y HA 0.087 4.638 4.550 0.001 0.000 0.289 390 Y C 1.793 177.713 175.900 0.032 0.000 1.121 390 Y CA 0.214 58.335 58.100 0.035 0.000 1.257 390 Y CB -0.003 38.484 38.460 0.046 0.000 1.026 390 Y HN 0.178 nan 8.280 nan 0.000 0.555 391 R N -0.229 120.357 120.500 0.143 0.000 3.934 391 R HA -0.315 4.025 4.340 0.001 0.000 0.384 391 R C 0.841 177.199 176.300 0.097 0.000 0.241 391 R CA 1.431 57.584 56.100 0.089 0.000 1.241 391 R CB -1.590 28.743 30.300 0.056 0.000 0.999 391 R HN 0.216 nan 8.270 nan 0.000 0.562 392 D N 1.378 121.823 120.400 0.075 0.000 2.149 392 D HA -0.107 4.534 4.640 0.001 0.000 0.198 392 D C 1.724 178.063 176.300 0.065 0.000 0.990 392 D CA 1.804 55.840 54.000 0.060 0.000 0.839 392 D CB -0.371 40.459 40.800 0.049 0.000 0.948 392 D HN 0.452 nan 8.370 nan 0.000 0.460 393 E N -0.100 120.159 120.200 0.098 0.000 2.273 393 E HA -0.167 4.184 4.350 0.001 0.000 0.198 393 E C 1.923 178.587 176.600 0.106 0.000 1.002 393 E CA 0.183 56.641 56.400 0.097 0.000 0.828 393 E CB -0.040 29.750 29.700 0.151 0.000 0.747 393 E HN 0.178 nan 8.360 nan 0.000 0.491 394 L N 0.287 121.596 121.223 0.144 0.000 2.179 394 L HA -0.061 4.280 4.340 0.001 0.000 0.208 394 L C 1.894 178.822 176.870 0.097 0.000 1.096 394 L CA 0.889 55.834 54.840 0.174 0.000 0.779 394 L CB 0.043 42.197 42.059 0.159 0.000 0.922 394 L HN 0.100 nan 8.230 nan 0.000 0.443 395 L N -0.107 121.127 121.223 0.019 0.000 2.043 395 L HA -0.199 4.141 4.340 0.001 0.000 0.212 395 L C -0.319 176.492 176.870 -0.099 0.000 1.075 395 L CA 1.402 56.213 54.840 -0.049 0.000 0.752 395 L CB -1.875 40.148 42.059 -0.059 0.000 0.891 395 L HN 0.246 nan 8.230 nan 0.000 0.432 396 P HA -0.185 nan 4.420 nan 0.000 0.216 396 P C 1.258 178.389 177.300 -0.281 0.000 1.150 396 P CA 1.491 64.439 63.100 -0.252 0.000 0.843 396 P CB -0.156 31.315 31.700 -0.383 0.000 0.787 397 H N -2.286 116.741 119.070 -0.071 0.000 2.502 397 H HA 0.089 4.646 4.556 0.001 0.000 0.283 397 H C 1.819 177.104 175.328 -0.072 0.000 1.015 397 H CA 0.771 56.773 56.048 -0.077 0.000 1.298 397 H CB -0.079 29.625 29.762 -0.097 0.000 1.411 397 H HN 0.185 nan 8.280 nan 0.000 0.556 398 I N 0.089 120.672 120.570 0.022 0.000 3.445 398 I HA -0.024 4.146 4.170 0.001 0.000 0.288 398 I C 2.043 178.124 176.117 -0.060 0.000 1.198 398 I CA 0.416 61.706 61.300 -0.016 0.000 1.417 398 I CB 0.030 38.023 38.000 -0.012 0.000 1.205 398 I HN -0.039 nan 8.210 nan 0.000 0.448 399 L N 1.367 122.530 121.223 -0.101 0.000 1.989 399 L HA -0.129 4.212 4.340 0.001 0.000 0.211 399 L C -0.356 176.462 176.870 -0.087 0.000 1.071 399 L CA 1.670 56.420 54.840 -0.151 0.000 0.749 399 L CB -2.074 39.845 42.059 -0.234 0.000 0.890 399 L HN 0.183 nan 8.230 nan 0.000 0.431 400 P HA -0.239 nan 4.420 nan 0.000 0.215 400 P C 1.730 179.021 177.300 -0.015 0.000 1.163 400 P CA 1.338 64.423 63.100 -0.025 0.000 0.894 400 P CB -0.025 31.660 31.700 -0.026 0.000 0.791 401 L N -1.139 120.071 121.223 -0.022 0.000 2.083 401 L HA -0.104 4.236 4.340 0.001 0.000 0.209 401 L C 2.130 178.989 176.870 -0.019 0.000 1.083 401 L CA 1.675 56.504 54.840 -0.018 0.000 0.752 401 L CB -1.648 40.397 42.059 -0.024 0.000 0.899 401 L HN -0.118 nan 8.230 nan 0.000 0.433 402 L N -0.408 120.793 121.223 -0.036 0.000 2.093 402 L HA -0.161 4.179 4.340 0.001 0.000 0.208 402 L C 2.507 179.361 176.870 -0.027 0.000 1.085 402 L CA 1.772 56.584 54.840 -0.046 0.000 0.755 402 L CB -0.792 41.220 42.059 -0.079 0.000 0.904 402 L HN 0.263 nan 8.230 nan 0.000 0.435 403 K N 0.433 120.837 120.400 0.007 0.000 2.044 403 K HA -0.240 4.080 4.320 0.001 0.000 0.210 403 K C 1.966 178.662 176.600 0.160 0.000 1.049 403 K CA 2.216 58.559 56.287 0.094 0.000 0.927 403 K CB -0.247 32.303 32.500 0.083 0.000 0.713 403 K HN 0.725 nan 8.250 nan 0.000 0.443 404 E N 0.018 120.277 120.200 0.098 0.000 2.051 404 E HA -0.149 4.202 4.350 0.001 0.000 0.189 404 E C 2.181 178.843 176.600 0.104 0.000 0.979 404 E CA 1.037 57.508 56.400 0.118 0.000 0.803 404 E CB -0.602 29.141 29.700 0.071 0.000 0.761 404 E HN 0.218 nan 8.360 nan 0.000 0.451 405 L N 0.955 122.201 121.223 0.038 0.000 2.013 405 L HA -0.217 4.123 4.340 0.001 0.000 0.212 405 L C 2.737 179.593 176.870 -0.024 0.000 1.073 405 L CA 1.239 56.087 54.840 0.013 0.000 0.753 405 L CB -0.511 41.540 42.059 -0.014 0.000 0.890 405 L HN 0.188 nan 8.230 nan 0.000 0.432 406 L N -1.580 119.554 121.223 -0.147 0.000 2.261 406 L HA -0.219 4.122 4.340 0.001 0.000 0.216 406 L C 1.822 178.364 176.870 -0.547 0.000 1.114 406 L CA 1.400 56.006 54.840 -0.390 0.000 0.777 406 L CB -0.214 41.443 42.059 -0.669 0.000 0.910 406 L HN 0.237 nan 8.230 nan 0.000 0.440 407 F N -3.277 116.712 119.950 0.066 0.000 2.711 407 F HA 0.183 4.710 4.527 0.001 0.000 0.296 407 F C 1.953 177.800 175.800 0.077 0.000 1.096 407 F CA -0.032 57.998 58.000 0.050 0.000 1.280 407 F CB -0.744 38.236 39.000 -0.033 0.000 1.060 407 F HN 0.006 nan 8.300 nan 0.000 0.608 408 H N 0.611 119.814 119.070 0.222 0.000 2.994 408 H HA 0.057 4.613 4.556 0.001 0.000 0.374 408 H C 1.097 176.559 175.328 0.223 0.000 1.305 408 H CA 0.652 56.813 56.048 0.188 0.000 1.431 408 H CB -0.512 29.337 29.762 0.146 0.000 1.399 408 H HN 0.440 nan 8.280 nan 0.000 0.609 409 H N -0.156 118.968 119.070 0.089 0.000 1.452 409 H HA -0.198 4.358 4.556 0.001 0.000 0.090 409 H C -0.036 175.359 175.328 0.113 0.000 2.848 409 H CA 1.962 58.062 56.048 0.087 0.000 1.901 409 H CB -0.297 29.509 29.762 0.073 0.000 2.257 409 H HN 0.862 nan 8.280 nan 0.000 0.961 410 E N -1.409 118.718 120.200 -0.122 0.000 2.469 410 E HA 0.157 4.507 4.350 0.001 0.000 0.246 410 E C 0.492 177.418 176.600 0.543 0.000 0.969 410 E CA 0.040 56.538 56.400 0.165 0.000 0.881 410 E CB 0.281 29.989 29.700 0.013 0.000 1.320 410 E HN 0.550 nan 8.360 nan 0.000 0.421 411 W N 0.167 121.574 121.300 0.178 0.000 2.433 411 W HA -0.448 4.212 4.660 0.001 0.000 0.338 411 W C 1.479 178.092 176.519 0.158 0.000 1.750 411 W CA 2.552 59.991 57.345 0.156 0.000 1.807 411 W CB -1.814 27.733 29.460 0.145 0.000 0.918 411 W HN 0.348 nan 8.180 nan 0.000 0.472 412 V N 0.381 120.530 119.914 0.391 0.000 2.307 412 V HA -0.290 3.831 4.120 0.001 0.000 0.245 412 V C 2.125 178.273 176.094 0.090 0.000 1.045 412 V CA 2.583 64.943 62.300 0.100 0.000 1.024 412 V CB -1.190 30.479 31.823 -0.256 0.000 0.651 412 V HN 0.318 nan 8.190 nan 0.000 0.449 413 V N -0.154 119.778 119.914 0.031 0.000 2.358 413 V HA -0.276 3.845 4.120 0.001 0.000 0.246 413 V C 2.356 178.493 176.094 0.072 0.000 1.047 413 V CA 2.285 64.591 62.300 0.010 0.000 1.035 413 V CB -0.731 31.083 31.823 -0.014 0.000 0.658 413 V HN 0.538 nan 8.190 nan 0.000 0.452 414 K N 0.563 121.050 120.400 0.146 0.000 2.009 414 K HA -0.298 4.022 4.320 0.001 0.000 0.210 414 K C 2.261 178.921 176.600 0.100 0.000 1.049 414 K CA 2.166 58.524 56.287 0.119 0.000 0.929 414 K CB -0.192 32.402 32.500 0.157 0.000 0.714 414 K HN 0.566 nan 8.250 nan 0.000 0.440 415 E N 1.109 121.408 120.200 0.164 0.000 2.065 415 E HA -0.247 4.104 4.350 0.001 0.000 0.201 415 E C 1.762 178.402 176.600 0.068 0.000 1.016 415 E CA 2.708 59.203 56.400 0.157 0.000 0.818 415 E CB -0.649 29.232 29.700 0.302 0.000 0.749 415 E HN 0.342 nan 8.360 nan 0.000 0.453 416 S N -0.581 115.129 115.700 0.016 0.000 2.400 416 S HA -0.083 4.387 4.470 0.001 0.000 0.232 416 S C 2.241 176.825 174.600 -0.027 0.000 1.025 416 S CA 1.175 59.339 58.200 -0.060 0.000 0.993 416 S CB -1.172 61.971 63.200 -0.096 0.000 0.808 416 S HN 0.476 nan 8.310 nan 0.000 0.478 417 G N 1.374 110.171 108.800 -0.006 0.000 2.422 417 G HA2 0.032 3.992 3.960 0.001 0.000 0.218 417 G HA3 0.032 3.992 3.960 0.001 0.000 0.218 417 G C 1.398 176.303 174.900 0.008 0.000 1.140 417 G CA 0.786 45.879 45.100 -0.012 0.000 0.775 417 G HN 0.583 nan 8.290 nan 0.000 0.545 418 I N 0.015 120.605 120.570 0.032 0.000 2.252 418 I HA -0.076 4.095 4.170 0.001 0.000 0.245 418 I C 2.523 178.728 176.117 0.146 0.000 1.102 418 I CA 0.356 61.698 61.300 0.070 0.000 1.385 418 I CB -0.198 37.845 38.000 0.073 0.000 1.064 418 I HN 0.152 nan 8.210 nan 0.000 0.414 419 L N 0.684 121.981 121.223 0.124 0.000 1.990 419 L HA -0.208 4.133 4.340 0.001 0.000 0.213 419 L C 2.460 179.436 176.870 0.176 0.000 1.072 419 L CA 1.908 56.837 54.840 0.148 0.000 0.755 419 L CB -0.674 41.374 42.059 -0.018 0.000 0.889 419 L HN 0.006 nan 8.230 nan 0.000 0.432 420 V N -0.472 119.490 119.914 0.079 0.000 2.287 420 V HA -0.303 3.817 4.120 0.001 0.000 0.248 420 V C 2.554 178.708 176.094 0.100 0.000 1.053 420 V CA 1.864 64.202 62.300 0.063 0.000 1.027 420 V CB -0.795 31.034 31.823 0.009 0.000 0.646 420 V HN 0.562 nan 8.190 nan 0.000 0.447 421 L N 1.275 122.558 121.223 0.100 0.000 2.042 421 L HA -0.080 4.261 4.340 0.001 0.000 0.210 421 L C 2.319 179.298 176.870 0.182 0.000 1.076 421 L CA 2.532 57.442 54.840 0.117 0.000 0.749 421 L CB -1.371 40.735 42.059 0.078 0.000 0.893 421 L HN 0.279 nan 8.230 nan 0.000 0.432 422 G N -1.308 107.595 108.800 0.171 0.000 2.402 422 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 422 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 422 G C 1.611 176.496 174.900 -0.024 0.000 1.162 422 G CA 0.789 45.815 45.100 -0.123 0.000 0.777 422 G HN 0.647 nan 8.290 nan 0.000 0.539 423 A N 0.808 123.808 122.820 0.300 0.000 1.908 423 A HA 0.019 4.339 4.320 0.001 0.000 0.218 423 A C 2.379 180.020 177.584 0.095 0.000 1.181 423 A CA 1.269 53.457 52.037 0.250 0.000 0.627 423 A CB -0.387 18.727 19.000 0.189 0.000 0.818 423 A HN 0.377 nan 8.150 nan 0.000 0.445 424 I N -0.391 120.219 120.570 0.068 0.000 2.361 424 I HA -0.294 3.877 4.170 0.001 0.000 0.251 424 I C 2.888 179.005 176.117 0.001 0.000 1.133 424 I CA 0.677 62.001 61.300 0.041 0.000 1.413 424 I CB -0.415 37.616 38.000 0.052 0.000 1.073 424 I HN 0.417 nan 8.210 nan 0.000 0.424 425 A N 0.812 123.579 122.820 -0.089 0.000 1.849 425 A HA -0.355 3.965 4.320 0.001 0.000 0.216 425 A C 2.236 179.711 177.584 -0.181 0.000 1.225 425 A CA 2.329 54.200 52.037 -0.277 0.000 0.653 425 A CB -1.108 17.401 19.000 -0.818 0.000 0.844 425 A HN 0.465 nan 8.150 nan 0.000 0.453 426 E N -0.983 119.104 120.200 -0.190 0.000 2.095 426 E HA -0.252 4.099 4.350 0.001 0.000 0.212 426 E C 2.074 178.639 176.600 -0.058 0.000 1.044 426 E CA 1.674 58.004 56.400 -0.118 0.000 0.857 426 E CB -0.600 29.048 29.700 -0.086 0.000 0.764 426 E HN 0.570 nan 8.360 nan 0.000 0.462 427 G N 0.108 108.891 108.800 -0.029 0.000 2.511 427 G HA2 -0.273 3.688 3.960 0.001 0.000 0.216 427 G HA3 -0.273 3.688 3.960 0.001 0.000 0.216 427 G C 1.342 176.249 174.900 0.011 0.000 1.218 427 G CA 1.160 46.259 45.100 -0.001 0.000 0.788 427 G HN 0.465 nan 8.290 nan 0.000 0.560 428 C N 0.756 120.067 119.300 0.019 0.000 2.353 428 C HA 0.438 4.898 4.460 0.001 0.000 0.338 428 C C 2.076 177.088 174.990 0.037 0.000 1.343 428 C CA -0.486 58.551 59.018 0.030 0.000 1.760 428 C CB -0.983 26.775 27.740 0.029 0.000 2.111 428 C HN 0.436 nan 8.230 nan 0.000 0.576 429 M N 2.116 121.733 119.600 0.028 0.000 2.082 429 M HA -0.185 4.296 4.480 0.001 0.000 0.258 429 M C 2.314 178.641 176.300 0.044 0.000 1.069 429 M CA 2.062 57.392 55.300 0.051 0.000 1.102 429 M CB -0.466 32.144 32.600 0.015 0.000 1.336 429 M HN 0.342 nan 8.290 nan 0.000 0.404 430 Q N -0.565 119.255 119.800 0.033 0.000 2.020 430 Q HA -0.008 4.333 4.340 0.001 0.000 0.202 430 Q C 2.185 178.203 176.000 0.029 0.000 0.982 430 Q CA 1.941 57.763 55.803 0.032 0.000 0.838 430 Q CB -1.622 27.137 28.738 0.033 0.000 0.899 430 Q HN 0.680 nan 8.270 nan 0.000 0.423 431 G N -0.061 108.763 108.800 0.040 0.000 2.625 431 G HA2 -0.140 3.820 3.960 0.001 0.000 0.214 431 G HA3 -0.140 3.820 3.960 0.001 0.000 0.214 431 G C 1.224 176.180 174.900 0.093 0.000 1.132 431 G CA 0.352 45.489 45.100 0.062 0.000 0.782 431 G HN 0.123 nan 8.290 nan 0.000 0.538 432 M N -0.097 119.526 119.600 0.040 0.000 2.486 432 M HA 0.307 4.788 4.480 0.001 0.000 0.264 432 M C 2.402 178.649 176.300 -0.089 0.000 1.125 432 M CA -0.030 55.275 55.300 0.008 0.000 1.144 432 M CB -0.577 32.014 32.600 -0.016 0.000 1.353 432 M HN 0.198 nan 8.290 nan 0.000 0.466 433 I N 1.136 121.603 120.570 -0.172 0.000 2.091 433 I HA -0.316 3.854 4.170 0.001 0.000 0.240 433 I C -0.541 175.373 176.117 -0.338 0.000 1.046 433 I CA 2.018 63.085 61.300 -0.388 0.000 1.306 433 I CB -2.121 35.758 38.000 -0.201 0.000 1.018 433 I HN 0.141 nan 8.210 nan 0.000 0.404 434 P HA -0.231 nan 4.420 nan 0.000 0.219 434 P C 1.256 178.357 177.300 -0.332 0.000 1.158 434 P CA 1.916 64.866 63.100 -0.250 0.000 0.895 434 P CB -0.212 31.288 31.700 -0.333 0.000 0.792 435 Y N -2.061 118.109 120.300 -0.216 0.000 2.546 435 Y HA 0.074 4.624 4.550 0.001 0.000 0.287 435 Y C 2.226 177.953 175.900 -0.289 0.000 1.158 435 Y CA 0.158 58.142 58.100 -0.194 0.000 1.307 435 Y CB -0.942 37.424 38.460 -0.158 0.000 1.036 435 Y HN -0.090 nan 8.280 nan 0.000 0.532 436 L N 0.326 121.315 121.223 -0.390 0.000 2.027 436 L HA -0.111 4.229 4.340 0.001 0.000 0.206 436 L C -0.355 176.288 176.870 -0.378 0.000 1.074 436 L CA 1.049 55.480 54.840 -0.683 0.000 0.745 436 L CB -1.628 39.472 42.059 -1.599 0.000 0.898 436 L HN 0.108 nan 8.230 nan 0.000 0.433 437 P HA -0.219 nan 4.420 nan 0.000 0.218 437 P C 1.000 178.428 177.300 0.214 0.000 1.146 437 P CA 1.526 64.771 63.100 0.243 0.000 0.820 437 P CB -0.022 31.849 31.700 0.285 0.000 0.778 438 E N -1.623 118.634 120.200 0.095 0.000 2.364 438 E HA 0.061 4.411 4.350 0.001 0.000 0.196 438 E C 1.750 178.435 176.600 0.141 0.000 0.990 438 E CA 0.159 56.633 56.400 0.123 0.000 0.886 438 E CB -0.812 28.942 29.700 0.090 0.000 0.866 438 E HN 0.188 nan 8.360 nan 0.000 0.493 439 L N 0.613 121.877 121.223 0.068 0.000 2.168 439 L HA 0.011 4.352 4.340 0.001 0.000 0.203 439 L C 2.341 179.246 176.870 0.059 0.000 1.078 439 L CA 0.136 55.016 54.840 0.067 0.000 0.780 439 L CB -0.226 41.801 42.059 -0.054 0.000 0.939 439 L HN 0.132 nan 8.230 nan 0.000 0.451 440 I N 0.772 121.336 120.570 -0.011 0.000 2.113 440 I HA -0.222 3.948 4.170 0.001 0.000 0.242 440 I C -0.048 176.155 176.117 0.143 0.000 1.064 440 I CA 2.152 63.473 61.300 0.036 0.000 1.320 440 I CB -2.494 35.516 38.000 0.016 0.000 1.028 440 I HN 0.163 nan 8.210 nan 0.000 0.406 441 P HA -0.182 nan 4.420 nan 0.000 0.216 441 P C 1.866 179.280 177.300 0.189 0.000 1.150 441 P CA 1.525 64.758 63.100 0.221 0.000 0.837 441 P CB -0.365 31.481 31.700 0.243 0.000 0.786 442 H N -0.270 118.870 119.070 0.116 0.000 2.421 442 H HA -0.050 4.507 4.556 0.001 0.000 0.298 442 H C 1.750 177.118 175.328 0.066 0.000 1.087 442 H CA 1.021 57.135 56.048 0.111 0.000 1.330 442 H CB -0.325 29.529 29.762 0.153 0.000 1.388 442 H HN 0.080 nan 8.280 nan 0.000 0.526 443 L N 0.331 121.500 121.223 -0.091 0.000 2.044 443 L HA -0.143 4.197 4.340 0.001 0.000 0.205 443 L C 2.740 179.572 176.870 -0.063 0.000 1.075 443 L CA 0.755 55.514 54.840 -0.136 0.000 0.747 443 L CB -0.239 41.794 42.059 -0.043 0.000 0.903 443 L HN 0.247 nan 8.230 nan 0.000 0.435 444 I N -0.507 120.071 120.570 0.012 0.000 2.248 444 I HA -0.320 3.850 4.170 0.001 0.000 0.248 444 I C 2.598 178.721 176.117 0.011 0.000 1.107 444 I CA 1.025 62.345 61.300 0.034 0.000 1.373 444 I CB -0.246 37.800 38.000 0.077 0.000 1.055 444 I HN 0.327 nan 8.210 nan 0.000 0.418 445 Q N 0.342 120.143 119.800 0.002 0.000 2.123 445 Q HA -0.133 4.207 4.340 0.001 0.000 0.199 445 Q C 2.271 178.245 176.000 -0.042 0.000 0.966 445 Q CA 1.660 57.466 55.803 0.006 0.000 0.845 445 Q CB -0.429 28.349 28.738 0.068 0.000 0.907 445 Q HN 0.522 nan 8.270 nan 0.000 0.439 446 C N -0.235 118.986 119.300 -0.131 0.000 2.448 446 C HA 0.028 4.489 4.460 0.001 0.000 0.280 446 C C 2.322 177.276 174.990 -0.060 0.000 1.398 446 C CA 0.053 58.993 59.018 -0.130 0.000 1.774 446 C CB -1.120 26.483 27.740 -0.229 0.000 1.888 446 C HN 0.498 nan 8.230 nan 0.000 0.519 447 L N 1.602 122.803 121.223 -0.038 0.000 2.351 447 L HA -0.170 4.170 4.340 0.001 0.000 0.220 447 L C 2.339 179.200 176.870 -0.015 0.000 1.127 447 L CA 1.836 56.668 54.840 -0.013 0.000 0.786 447 L CB -0.395 41.665 42.059 0.002 0.000 0.914 447 L HN 0.552 nan 8.230 nan 0.000 0.443 448 S N -3.577 112.112 115.700 -0.019 0.000 2.540 448 S HA 0.020 4.490 4.470 0.001 0.000 0.222 448 S C 0.701 175.285 174.600 -0.027 0.000 1.008 448 S CA -0.628 57.562 58.200 -0.017 0.000 0.939 448 S CB -0.060 63.135 63.200 -0.007 0.000 0.865 448 S HN 0.318 nan 8.310 nan 0.000 0.499 449 D N 2.021 122.401 120.400 -0.034 0.000 2.694 449 D HA -0.079 4.561 4.640 0.001 0.000 0.223 449 D C 0.563 176.820 176.300 -0.073 0.000 1.158 449 D CA 0.572 54.545 54.000 -0.046 0.000 0.859 449 D CB 0.753 41.521 40.800 -0.053 0.000 1.210 449 D HN 0.102 nan 8.370 nan 0.000 0.506 450 K N 1.767 122.116 120.400 -0.084 0.000 2.097 450 K HA -0.071 4.250 4.320 0.001 0.000 0.206 450 K C 0.579 177.071 176.600 -0.180 0.000 1.049 450 K CA 1.087 57.309 56.287 -0.108 0.000 0.933 450 K CB 0.041 32.484 32.500 -0.096 0.000 0.717 450 K HN 0.240 nan 8.250 nan 0.000 0.442 451 K N 0.808 121.048 120.400 -0.267 0.000 2.297 451 K HA 0.211 4.532 4.320 0.001 0.000 0.286 451 K C 0.944 177.362 176.600 -0.303 0.000 1.053 451 K CA 0.193 56.211 56.287 -0.449 0.000 0.940 451 K CB 1.328 33.325 32.500 -0.838 0.000 1.019 451 K HN 0.074 nan 8.250 nan 0.000 0.475 452 A N 4.221 126.885 122.820 -0.261 0.000 1.892 452 A HA -0.173 4.147 4.320 0.001 0.000 0.218 452 A C 1.946 179.471 177.584 -0.098 0.000 1.188 452 A CA 1.514 53.465 52.037 -0.143 0.000 0.631 452 A CB -0.518 18.415 19.000 -0.112 0.000 0.822 452 A HN 0.702 nan 8.150 nan 0.000 0.447 453 L N -0.249 120.910 121.223 -0.105 0.000 2.362 453 L HA -0.123 4.218 4.340 0.001 0.000 0.219 453 L C 2.161 179.063 176.870 0.054 0.000 1.134 453 L CA 0.513 55.364 54.840 0.020 0.000 0.807 453 L CB -0.257 41.879 42.059 0.129 0.000 0.927 453 L HN 0.281 nan 8.230 nan 0.000 0.447 454 V N -1.066 118.831 119.914 -0.028 0.000 2.649 454 V HA -0.114 4.007 4.120 0.001 0.000 0.248 454 V C 2.468 178.569 176.094 0.010 0.000 1.054 454 V CA 1.082 63.389 62.300 0.013 0.000 1.073 454 V CB -0.500 31.307 31.823 -0.026 0.000 0.699 454 V HN 0.359 nan 8.190 nan 0.000 0.463 455 R N 0.839 121.329 120.500 -0.017 0.000 2.073 455 R HA -0.123 4.217 4.340 0.001 0.000 0.234 455 R C 2.636 178.957 176.300 0.035 0.000 1.134 455 R CA 1.804 57.903 56.100 -0.001 0.000 0.952 455 R CB -0.567 29.722 30.300 -0.019 0.000 0.850 455 R HN 0.583 nan 8.270 nan 0.000 0.433 456 S N 1.538 117.261 115.700 0.038 0.000 2.377 456 S HA -0.230 4.240 4.470 0.001 0.000 0.224 456 S C 1.941 176.610 174.600 0.114 0.000 1.042 456 S CA 1.550 59.788 58.200 0.064 0.000 1.086 456 S CB -0.492 62.737 63.200 0.048 0.000 0.995 456 S HN 0.209 nan 8.310 nan 0.000 0.428 457 I N 2.247 122.890 120.570 0.121 0.000 2.361 457 I HA -0.167 4.003 4.170 0.001 0.000 0.251 457 I C 2.156 178.414 176.117 0.237 0.000 1.133 457 I CA 1.440 62.849 61.300 0.180 0.000 1.413 457 I CB -0.874 37.212 38.000 0.143 0.000 1.073 457 I HN 0.264 nan 8.210 nan 0.000 0.424 458 T N -0.409 114.231 114.554 0.143 0.000 2.777 458 T HA -0.200 4.151 4.350 0.001 0.000 0.266 458 T C 2.094 176.867 174.700 0.121 0.000 1.040 458 T CA 1.681 63.844 62.100 0.105 0.000 1.141 458 T CB -0.876 68.013 68.868 0.034 0.000 0.868 458 T HN 0.436 nan 8.240 nan 0.000 0.444 459 C N 0.241 119.618 119.300 0.128 0.000 2.393 459 C HA -0.142 4.319 4.460 0.001 0.000 0.276 459 C C 2.392 177.483 174.990 0.169 0.000 1.215 459 C CA 0.232 59.329 59.018 0.132 0.000 1.743 459 C CB -1.430 26.388 27.740 0.130 0.000 2.044 459 C HN 0.787 nan 8.230 nan 0.000 0.464 460 W N 1.582 122.907 121.300 0.041 0.000 2.353 460 W HA -0.172 4.489 4.660 0.001 0.000 0.319 460 W C 2.504 179.048 176.519 0.041 0.000 1.207 460 W CA 2.403 59.769 57.345 0.036 0.000 1.291 460 W CB -0.878 28.598 29.460 0.026 0.000 1.159 460 W HN 0.202 nan 8.180 nan 0.000 0.478 461 T N 1.661 116.260 114.554 0.075 0.000 2.759 461 T HA -0.248 4.102 4.350 0.001 0.000 0.269 461 T C 1.892 176.551 174.700 -0.068 0.000 1.042 461 T CA 1.899 63.918 62.100 -0.136 0.000 1.140 461 T CB -0.583 68.363 68.868 0.131 0.000 0.864 461 T HN 0.144 nan 8.240 nan 0.000 0.455 462 L N 1.310 122.543 121.223 0.017 0.000 2.056 462 L HA -0.109 4.232 4.340 0.001 0.000 0.207 462 L C 2.874 179.750 176.870 0.010 0.000 1.078 462 L CA 1.470 56.352 54.840 0.070 0.000 0.749 462 L CB -0.606 41.497 42.059 0.073 0.000 0.901 462 L HN 0.360 nan 8.230 nan 0.000 0.433 463 S N -0.387 115.259 115.700 -0.089 0.000 2.419 463 S HA -0.164 4.307 4.470 0.001 0.000 0.233 463 S C 2.009 176.463 174.600 -0.244 0.000 1.016 463 S CA 0.662 58.787 58.200 -0.125 0.000 0.974 463 S CB -0.311 62.822 63.200 -0.111 0.000 0.786 463 S HN 0.328 nan 8.310 nan 0.000 0.492 464 R N -0.324 119.905 120.500 -0.452 0.000 2.323 464 R HA 0.123 4.464 4.340 0.001 0.000 0.198 464 R C 0.161 176.050 176.300 -0.685 0.000 0.988 464 R CA 0.621 56.335 56.100 -0.642 0.000 1.041 464 R CB -0.373 29.340 30.300 -0.978 0.000 0.926 464 R HN 0.670 nan 8.270 nan 0.000 0.476 465 Y N -1.539 118.692 120.300 -0.115 0.000 2.707 465 Y HA 0.287 4.838 4.550 0.001 0.000 0.249 465 Y C 1.690 177.634 175.900 0.074 0.000 1.166 465 Y CA -0.148 57.947 58.100 -0.007 0.000 1.184 465 Y CB 0.434 38.883 38.460 -0.018 0.000 1.240 465 Y HN -0.050 nan 8.280 nan 0.000 0.547 466 A N 0.130 123.019 122.820 0.115 0.000 1.927 466 A HA -0.302 4.018 4.320 0.001 0.000 0.220 466 A C 2.073 179.730 177.584 0.122 0.000 1.185 466 A CA 2.313 54.406 52.037 0.093 0.000 0.639 466 A CB -0.834 18.181 19.000 0.025 0.000 0.820 466 A HN 0.651 nan 8.150 nan 0.000 0.451 467 H N -2.797 116.309 119.070 0.061 0.000 2.387 467 H HA -0.210 4.346 4.556 0.001 0.000 0.299 467 H C 2.012 177.413 175.328 0.122 0.000 1.090 467 H CA 2.156 58.243 56.048 0.065 0.000 1.332 467 H CB -0.231 29.561 29.762 0.050 0.000 1.386 467 H HN 0.736 nan 8.280 nan 0.000 0.516 468 W N 1.265 122.600 121.300 0.057 0.000 2.407 468 W HA -0.145 4.515 4.660 0.001 0.000 0.305 468 W C 2.491 178.973 176.519 -0.063 0.000 1.196 468 W CA 1.557 58.897 57.345 -0.009 0.000 1.311 468 W CB -0.690 28.791 29.460 0.034 0.000 1.135 468 W HN -0.083 nan 8.180 nan 0.000 0.514 469 V N 0.441 120.375 119.914 0.032 0.000 2.278 469 V HA -0.393 3.727 4.120 0.001 0.000 0.251 469 V C 2.115 178.107 176.094 -0.171 0.000 1.062 469 V CA 2.123 64.358 62.300 -0.108 0.000 1.038 469 V CB -1.429 30.433 31.823 0.064 0.000 0.646 469 V HN 0.143 nan 8.190 nan 0.000 0.447 470 V N 0.734 120.561 119.914 -0.146 0.000 2.407 470 V HA -0.212 3.908 4.120 0.001 0.000 0.248 470 V C 2.588 178.547 176.094 -0.225 0.000 1.055 470 V CA 2.250 64.453 62.300 -0.160 0.000 1.049 470 V CB -0.608 31.123 31.823 -0.153 0.000 0.662 470 V HN 0.806 nan 8.190 nan 0.000 0.455 471 S N -1.319 114.182 115.700 -0.331 0.000 2.481 471 S HA -0.033 4.437 4.470 0.001 0.000 0.231 471 S C 1.063 175.486 174.600 -0.296 0.000 0.996 471 S CA 0.233 58.247 58.200 -0.311 0.000 0.942 471 S CB -0.179 62.833 63.200 -0.314 0.000 0.768 471 S HN 0.579 nan 8.310 nan 0.000 0.520 472 Q N 1.880 121.450 119.800 -0.384 0.000 2.318 472 Q HA 0.446 4.787 4.340 0.001 0.000 0.222 472 Q C -2.734 173.181 176.000 -0.143 0.000 1.003 472 Q CA -2.464 53.175 55.803 -0.274 0.000 0.936 472 Q CB -0.782 27.779 28.738 -0.296 0.000 1.204 472 Q HN 0.142 nan 8.270 nan 0.000 0.524 473 P HA 0.017 nan 4.420 nan 0.000 0.260 473 P C -1.875 175.381 177.300 -0.072 0.000 1.185 473 P CA -0.680 62.372 63.100 -0.080 0.000 0.763 473 P CB -0.039 31.612 31.700 -0.081 0.000 0.776 474 P HA -0.206 nan 4.420 nan 0.000 0.219 474 P C 0.848 178.151 177.300 0.005 0.000 1.144 474 P CA 1.410 64.512 63.100 0.003 0.000 0.806 474 P CB 0.087 31.811 31.700 0.040 0.000 0.771 475 D N -2.024 118.359 120.400 -0.027 0.000 2.162 475 D HA -0.094 4.546 4.640 0.001 0.000 0.203 475 D C 2.032 178.266 176.300 -0.109 0.000 0.967 475 D CA 1.484 55.461 54.000 -0.038 0.000 0.840 475 D CB -0.668 40.110 40.800 -0.036 0.000 0.972 475 D HN 0.166 nan 8.370 nan 0.000 0.482 476 T N -1.668 112.760 114.554 -0.211 0.000 2.851 476 T HA -0.080 4.271 4.350 0.001 0.000 0.262 476 T C 1.641 176.033 174.700 -0.514 0.000 1.043 476 T CA 1.029 62.873 62.100 -0.427 0.000 1.140 476 T CB 0.033 68.519 68.868 -0.637 0.000 0.872 476 T HN 0.156 nan 8.240 nan 0.000 0.446 477 Y N -0.740 119.532 120.300 -0.047 0.000 2.678 477 Y HA 0.353 4.904 4.550 0.001 0.000 0.274 477 Y C 1.955 177.842 175.900 -0.022 0.000 1.114 477 Y CA -0.334 57.750 58.100 -0.028 0.000 1.274 477 Y CB -0.334 38.088 38.460 -0.063 0.000 1.438 477 Y HN 0.094 nan 8.280 nan 0.000 0.493 478 L N 1.710 122.999 121.223 0.110 0.000 1.955 478 L HA -0.217 4.123 4.340 0.001 0.000 0.213 478 L C 2.306 179.183 176.870 0.011 0.000 1.072 478 L CA 2.086 56.962 54.840 0.060 0.000 0.755 478 L CB -0.900 41.186 42.059 0.045 0.000 0.888 478 L HN 0.197 nan 8.230 nan 0.000 0.432 479 K N -0.626 119.759 120.400 -0.025 0.000 2.034 479 K HA -0.186 4.134 4.320 0.001 0.000 0.214 479 K C -0.414 176.119 176.600 -0.112 0.000 1.051 479 K CA 2.234 58.442 56.287 -0.133 0.000 0.931 479 K CB -1.179 31.273 32.500 -0.079 0.000 0.715 479 K HN 0.330 nan 8.250 nan 0.000 0.446 480 P HA -0.143 nan 4.420 nan 0.000 0.216 480 P C 1.451 178.752 177.300 0.001 0.000 1.153 480 P CA 0.881 63.971 63.100 -0.017 0.000 0.848 480 P CB -0.069 31.638 31.700 0.012 0.000 0.787 481 L N -1.078 120.166 121.223 0.035 0.000 1.994 481 L HA -0.129 4.212 4.340 0.001 0.000 0.208 481 L C 2.391 179.279 176.870 0.031 0.000 1.071 481 L CA 2.008 56.880 54.840 0.053 0.000 0.745 481 L CB -1.287 40.827 42.059 0.091 0.000 0.892 481 L HN -0.134 nan 8.230 nan 0.000 0.431 482 M N -1.148 118.462 119.600 0.017 0.000 2.108 482 M HA -0.237 4.244 4.480 0.001 0.000 0.261 482 M C 2.021 178.262 176.300 -0.098 0.000 1.066 482 M CA 2.457 57.769 55.300 0.020 0.000 1.107 482 M CB -0.458 32.140 32.600 -0.003 0.000 1.356 482 M HN 0.437 nan 8.290 nan 0.000 0.406 483 T N 0.071 114.553 114.554 -0.119 0.000 2.708 483 T HA -0.189 4.162 4.350 0.001 0.000 0.266 483 T C 1.570 176.231 174.700 -0.066 0.000 1.037 483 T CA 1.868 63.917 62.100 -0.085 0.000 1.146 483 T CB -0.307 68.539 68.868 -0.036 0.000 0.865 483 T HN 0.416 nan 8.240 nan 0.000 0.435 484 E N 0.432 120.609 120.200 -0.038 0.000 2.106 484 E HA -0.029 4.322 4.350 0.001 0.000 0.192 484 E C 1.919 178.492 176.600 -0.045 0.000 0.984 484 E CA 0.468 56.854 56.400 -0.024 0.000 0.806 484 E CB -0.401 29.300 29.700 0.001 0.000 0.750 484 E HN 0.165 nan 8.360 nan 0.000 0.458 485 L N 0.131 121.324 121.223 -0.051 0.000 2.027 485 L HA -0.076 4.264 4.340 0.001 0.000 0.206 485 L C 2.097 178.846 176.870 -0.202 0.000 1.074 485 L CA 1.450 56.255 54.840 -0.058 0.000 0.745 485 L CB -0.693 41.397 42.059 0.052 0.000 0.898 485 L HN 0.256 nan 8.230 nan 0.000 0.433 486 L N -1.065 119.943 121.223 -0.359 0.000 2.079 486 L HA -0.292 4.049 4.340 0.001 0.000 0.210 486 L C 2.482 179.168 176.870 -0.307 0.000 1.081 486 L CA 1.332 55.854 54.840 -0.529 0.000 0.752 486 L CB -0.458 41.134 42.059 -0.777 0.000 0.896 486 L HN 0.245 nan 8.230 nan 0.000 0.433 487 K N -0.718 119.582 120.400 -0.166 0.000 2.025 487 K HA -0.109 4.211 4.320 0.001 0.000 0.207 487 K C 2.274 178.849 176.600 -0.041 0.000 1.049 487 K CA 0.918 57.169 56.287 -0.061 0.000 0.933 487 K CB -0.055 32.437 32.500 -0.013 0.000 0.714 487 K HN 0.075 nan 8.250 nan 0.000 0.438 488 R N 0.966 121.440 120.500 -0.043 0.000 2.105 488 R HA -0.069 4.271 4.340 0.001 0.000 0.239 488 R C 2.161 178.470 176.300 0.014 0.000 1.135 488 R CA 1.149 57.244 56.100 -0.008 0.000 0.967 488 R CB -0.773 29.528 30.300 0.000 0.000 0.861 488 R HN 0.326 nan 8.270 nan 0.000 0.442 489 I N 0.977 121.540 120.570 -0.012 0.000 2.381 489 I HA -0.255 3.915 4.170 0.001 0.000 0.255 489 I C 1.033 177.232 176.117 0.137 0.000 1.140 489 I CA 1.110 62.438 61.300 0.047 0.000 1.404 489 I CB -0.203 37.753 38.000 -0.073 0.000 1.075 489 I HN -0.009 nan 8.210 nan 0.000 0.433 490 L N -0.473 120.802 121.223 0.086 0.000 2.331 490 L HA 0.382 4.722 4.340 0.001 0.000 0.268 490 L C 1.331 178.270 176.870 0.116 0.000 1.015 490 L CA 0.367 55.292 54.840 0.141 0.000 0.807 490 L CB 0.924 43.064 42.059 0.135 0.000 1.293 490 L HN 0.262 nan 8.230 nan 0.000 0.451 491 D N -0.255 120.226 120.400 0.135 0.000 2.673 491 D HA -0.254 4.386 4.640 0.001 0.000 0.186 491 D C 1.014 177.345 176.300 0.052 0.000 1.079 491 D CA 1.859 55.915 54.000 0.093 0.000 1.050 491 D CB -1.237 39.610 40.800 0.078 0.000 1.118 491 D HN 0.589 nan 8.370 nan 0.000 0.426 492 S N 0.789 116.514 115.700 0.042 0.000 2.229 492 S HA 0.478 4.948 4.470 0.001 0.000 0.221 492 S C 0.779 175.377 174.600 -0.003 0.000 1.316 492 S CA 0.269 58.476 58.200 0.010 0.000 1.002 492 S CB 0.063 63.264 63.200 0.002 0.000 0.854 492 S HN 1.125 nan 8.310 nan 0.000 0.451 493 N N 0.525 119.212 118.700 -0.022 0.000 2.478 493 N HA 0.284 5.024 4.740 0.001 0.000 0.275 493 N C -0.027 175.451 175.510 -0.054 0.000 1.221 493 N CA -0.589 52.441 53.050 -0.033 0.000 0.979 493 N CB 0.167 38.631 38.487 -0.037 0.000 1.202 493 N HN 0.116 nan 8.380 nan 0.000 0.564 494 K N -0.070 120.286 120.400 -0.073 0.000 2.160 494 K HA -0.091 4.230 4.320 0.001 0.000 0.206 494 K C 1.902 178.434 176.600 -0.113 0.000 1.047 494 K CA 1.236 57.450 56.287 -0.121 0.000 0.930 494 K CB -0.133 32.302 32.500 -0.108 0.000 0.720 494 K HN 0.533 nan 8.250 nan 0.000 0.450 495 R N -0.165 120.294 120.500 -0.069 0.000 2.119 495 R HA -0.014 4.326 4.340 0.001 0.000 0.222 495 R C 1.683 177.963 176.300 -0.033 0.000 1.088 495 R CA 0.794 56.866 56.100 -0.048 0.000 0.984 495 R CB 0.159 30.442 30.300 -0.029 0.000 0.884 495 R HN -0.008 nan 8.270 nan 0.000 0.447 496 V N 0.501 120.397 119.914 -0.030 0.000 2.649 496 V HA -0.138 3.982 4.120 0.001 0.000 0.248 496 V C 2.039 178.131 176.094 -0.003 0.000 1.054 496 V CA 1.313 63.609 62.300 -0.007 0.000 1.073 496 V CB -0.259 31.561 31.823 -0.006 0.000 0.699 496 V HN 0.353 nan 8.190 nan 0.000 0.463 497 Q N 0.118 119.895 119.800 -0.039 0.000 2.014 497 Q HA -0.293 4.048 4.340 0.001 0.000 0.207 497 Q C 2.383 178.348 176.000 -0.057 0.000 0.993 497 Q CA 2.406 58.178 55.803 -0.051 0.000 0.850 497 Q CB -0.271 28.316 28.738 -0.252 0.000 0.916 497 Q HN 0.707 nan 8.270 nan 0.000 0.417 498 E N 0.006 120.133 120.200 -0.122 0.000 2.049 498 E HA -0.265 4.086 4.350 0.001 0.000 0.198 498 E C 1.902 178.516 176.600 0.023 0.000 1.007 498 E CA 1.210 57.569 56.400 -0.067 0.000 0.809 498 E CB -0.138 29.516 29.700 -0.077 0.000 0.749 498 E HN 0.372 nan 8.360 nan 0.000 0.450 499 A N 1.016 123.858 122.820 0.037 0.000 1.902 499 A HA -0.080 4.240 4.320 0.001 0.000 0.217 499 A C 2.351 180.005 177.584 0.116 0.000 1.181 499 A CA 1.933 54.025 52.037 0.092 0.000 0.623 499 A CB -0.666 18.390 19.000 0.093 0.000 0.818 499 A HN 0.435 nan 8.150 nan 0.000 0.443 500 A N -1.388 121.487 122.820 0.093 0.000 1.872 500 A HA -0.129 4.192 4.320 0.001 0.000 0.214 500 A C 2.378 180.047 177.584 0.142 0.000 1.187 500 A CA 1.463 53.561 52.037 0.101 0.000 0.614 500 A CB -1.347 17.692 19.000 0.064 0.000 0.826 500 A HN 0.671 nan 8.150 nan 0.000 0.442 501 C N -1.125 118.262 119.300 0.145 0.000 2.432 501 C HA -0.065 4.395 4.460 0.001 0.000 0.277 501 C C 3.152 178.259 174.990 0.195 0.000 1.249 501 C CA 1.695 60.826 59.018 0.188 0.000 1.725 501 C CB -1.017 26.852 27.740 0.214 0.000 2.028 501 C HN 0.594 nan 8.230 nan 0.000 0.477 502 S N 0.005 115.792 115.700 0.145 0.000 2.353 502 S HA -0.150 4.320 4.470 0.001 0.000 0.222 502 S C 2.117 176.795 174.600 0.131 0.000 1.035 502 S CA 1.879 60.155 58.200 0.127 0.000 1.025 502 S CB -0.522 62.749 63.200 0.119 0.000 0.902 502 S HN 0.780 nan 8.310 nan 0.000 0.440 503 A N 0.198 123.108 122.820 0.148 0.000 1.940 503 A HA -0.067 4.254 4.320 0.001 0.000 0.219 503 A C 1.967 179.634 177.584 0.137 0.000 1.176 503 A CA 1.702 53.814 52.037 0.126 0.000 0.631 503 A CB -0.957 18.122 19.000 0.132 0.000 0.814 503 A HN 0.655 nan 8.150 nan 0.000 0.446 504 F N 0.845 120.811 119.950 0.027 0.000 2.186 504 F HA 0.015 4.543 4.527 0.001 0.000 0.299 504 F C 2.473 178.281 175.800 0.013 0.000 1.090 504 F CA 0.814 58.821 58.000 0.011 0.000 1.307 504 F CB -0.430 38.570 39.000 -0.000 0.000 1.019 504 F HN 0.244 nan 8.300 nan 0.000 0.489 505 A N -0.506 122.312 122.820 -0.003 0.000 1.933 505 A HA -0.170 4.151 4.320 0.001 0.000 0.218 505 A C 2.192 179.703 177.584 -0.122 0.000 1.175 505 A CA 2.240 54.225 52.037 -0.086 0.000 0.628 505 A CB -1.400 17.616 19.000 0.026 0.000 0.814 505 A HN 0.422 nan 8.150 nan 0.000 0.444 506 T N 0.144 114.658 114.554 -0.066 0.000 2.708 506 T HA -0.155 4.195 4.350 0.001 0.000 0.266 506 T C 1.827 176.465 174.700 -0.103 0.000 1.037 506 T CA 1.527 63.590 62.100 -0.062 0.000 1.146 506 T CB -0.407 68.442 68.868 -0.032 0.000 0.865 506 T HN 0.283 nan 8.240 nan 0.000 0.435 507 L N 1.383 122.520 121.223 -0.143 0.000 2.046 507 L HA -0.073 4.267 4.340 0.001 0.000 0.208 507 L C 2.364 179.084 176.870 -0.249 0.000 1.077 507 L CA 1.759 56.499 54.840 -0.166 0.000 0.747 507 L CB -0.715 41.261 42.059 -0.139 0.000 0.896 507 L HN 0.283 nan 8.230 nan 0.000 0.432 508 E N -0.649 119.293 120.200 -0.429 0.000 2.070 508 E HA -0.326 4.025 4.350 0.001 0.000 0.197 508 E C 2.095 178.586 176.600 -0.182 0.000 1.004 508 E CA 1.629 57.810 56.400 -0.365 0.000 0.805 508 E CB -0.209 29.240 29.700 -0.419 0.000 0.744 508 E HN 0.614 nan 8.360 nan 0.000 0.451 509 E N 0.498 120.613 120.200 -0.141 0.000 2.118 509 E HA -0.256 4.094 4.350 0.001 0.000 0.195 509 E C 1.898 178.464 176.600 -0.057 0.000 0.992 509 E CA 1.261 57.612 56.400 -0.080 0.000 0.804 509 E CB 0.125 29.789 29.700 -0.060 0.000 0.741 509 E HN 0.093 nan 8.360 nan 0.000 0.458 510 E N -0.725 119.440 120.200 -0.058 0.000 2.190 510 E HA 0.024 4.374 4.350 0.001 0.000 0.191 510 E C 1.537 178.107 176.600 -0.049 0.000 0.978 510 E CA 0.892 57.277 56.400 -0.025 0.000 0.839 510 E CB 0.062 29.762 29.700 -0.000 0.000 0.787 510 E HN 0.316 nan 8.360 nan 0.000 0.473 511 A N -0.266 122.511 122.820 -0.072 0.000 1.861 511 A HA 0.054 4.375 4.320 0.001 0.000 0.212 511 A C 1.555 179.105 177.584 -0.057 0.000 1.199 511 A CA 0.948 52.947 52.037 -0.063 0.000 0.613 511 A CB -0.592 18.373 19.000 -0.059 0.000 0.846 511 A HN 0.468 nan 8.150 nan 0.000 0.446 512 C N -2.865 116.396 119.300 -0.066 0.000 0.175 512 C HA -0.283 4.177 4.460 0.001 0.000 0.017 512 C C 2.221 177.171 174.990 -0.067 0.000 0.172 512 C CA 1.383 60.368 59.018 -0.056 0.000 0.499 512 C CB -2.047 25.670 27.740 -0.039 0.000 3.212 512 C HN 0.643 nan 8.230 nan 0.000 1.118 513 T N 1.460 115.972 114.554 -0.070 0.000 2.714 513 T HA -0.228 4.123 4.350 0.001 0.000 0.268 513 T C 1.194 175.815 174.700 -0.133 0.000 1.036 513 T CA 2.198 64.223 62.100 -0.124 0.000 1.148 513 T CB -0.384 68.435 68.868 -0.082 0.000 0.856 513 T HN 0.665 nan 8.240 nan 0.000 0.462 514 E N 0.792 120.947 120.200 -0.076 0.000 2.396 514 E HA -0.030 4.320 4.350 0.001 0.000 0.200 514 E C 1.990 178.585 176.600 -0.009 0.000 1.023 514 E CA 0.597 56.972 56.400 -0.043 0.000 0.857 514 E CB -0.275 29.422 29.700 -0.005 0.000 0.775 514 E HN 0.539 nan 8.360 nan 0.000 0.525 515 L N -0.350 120.860 121.223 -0.022 0.000 2.307 515 L HA -0.052 4.289 4.340 0.001 0.000 0.211 515 L C 2.321 179.149 176.870 -0.069 0.000 1.099 515 L CA 0.058 54.929 54.840 0.053 0.000 0.816 515 L CB -0.168 41.916 42.059 0.041 0.000 0.952 515 L HN -0.078 nan 8.230 nan 0.000 0.455 516 V N 0.661 120.468 119.914 -0.177 0.000 2.277 516 V HA -0.250 3.871 4.120 0.001 0.000 0.253 516 V C 0.059 176.022 176.094 -0.219 0.000 1.067 516 V CA 2.216 64.384 62.300 -0.219 0.000 1.047 516 V CB -1.871 29.724 31.823 -0.381 0.000 0.649 516 V HN 0.347 nan 8.190 nan 0.000 0.447 517 P HA -0.203 nan 4.420 nan 0.000 0.220 517 P C 1.039 178.044 177.300 -0.492 0.000 1.155 517 P CA 1.926 64.669 63.100 -0.594 0.000 0.880 517 P CB -0.164 30.824 31.700 -1.187 0.000 0.790 518 Y N -3.132 117.201 120.300 0.056 0.000 2.555 518 Y HA 0.211 4.761 4.550 0.001 0.000 0.259 518 Y C 1.824 177.774 175.900 0.083 0.000 1.179 518 Y CA -0.766 57.392 58.100 0.097 0.000 1.230 518 Y CB -0.418 38.106 38.460 0.107 0.000 1.146 518 Y HN -0.169 nan 8.280 nan 0.000 0.526 519 L N 1.218 122.492 121.223 0.084 0.000 2.081 519 L HA -0.229 4.111 4.340 0.001 0.000 0.212 519 L C 2.301 179.128 176.870 -0.073 0.000 1.080 519 L CA 1.966 56.769 54.840 -0.063 0.000 0.754 519 L CB -0.741 41.176 42.059 -0.236 0.000 0.893 519 L HN 0.285 nan 8.230 nan 0.000 0.433 520 A N -1.885 121.015 122.820 0.133 0.000 1.898 520 A HA -0.249 4.071 4.320 0.001 0.000 0.216 520 A C 2.270 179.996 177.584 0.236 0.000 1.181 520 A CA 1.545 53.731 52.037 0.248 0.000 0.620 520 A CB -0.995 18.192 19.000 0.311 0.000 0.819 520 A HN 0.534 nan 8.150 nan 0.000 0.442 521 Y N 0.569 120.921 120.300 0.086 0.000 2.200 521 Y HA -0.099 4.451 4.550 0.001 0.000 0.290 521 Y C 1.991 177.897 175.900 0.010 0.000 1.137 521 Y CA 0.900 59.027 58.100 0.045 0.000 1.163 521 Y CB -0.614 37.878 38.460 0.053 0.000 0.988 521 Y HN 0.272 nan 8.280 nan 0.000 0.518 522 I N -0.694 119.891 120.570 0.024 0.000 2.118 522 I HA -0.334 3.837 4.170 0.001 0.000 0.241 522 I C 2.249 178.354 176.117 -0.020 0.000 1.070 522 I CA 1.365 62.629 61.300 -0.059 0.000 1.327 522 I CB -0.542 37.524 38.000 0.110 0.000 1.034 522 I HN 0.185 nan 8.210 nan 0.000 0.405 523 L N 0.523 121.755 121.223 0.015 0.000 2.275 523 L HA -0.181 4.160 4.340 0.001 0.000 0.215 523 L C 1.666 178.581 176.870 0.074 0.000 1.119 523 L CA 1.867 56.722 54.840 0.026 0.000 0.790 523 L CB -0.826 41.216 42.059 -0.028 0.000 0.919 523 L HN 0.169 nan 8.230 nan 0.000 0.443 524 D N -1.784 118.676 120.400 0.100 0.000 2.123 524 D HA -0.133 4.507 4.640 0.001 0.000 0.200 524 D C 2.024 178.385 176.300 0.102 0.000 0.976 524 D CA 1.542 55.614 54.000 0.119 0.000 0.831 524 D CB 0.091 40.980 40.800 0.148 0.000 0.974 524 D HN 0.240 nan 8.370 nan 0.000 0.469 525 T N 0.658 115.225 114.554 0.022 0.000 2.622 525 T HA -0.147 4.204 4.350 0.001 0.000 0.266 525 T C 2.074 176.768 174.700 -0.010 0.000 1.047 525 T CA 0.941 63.014 62.100 -0.045 0.000 1.159 525 T CB -0.490 68.223 68.868 -0.259 0.000 0.863 525 T HN 0.102 nan 8.240 nan 0.000 0.422 526 L N 0.731 121.937 121.223 -0.029 0.000 2.046 526 L HA -0.069 4.271 4.340 0.001 0.000 0.208 526 L C 2.710 179.620 176.870 0.066 0.000 1.077 526 L CA 0.884 55.714 54.840 -0.017 0.000 0.747 526 L CB -0.898 41.189 42.059 0.046 0.000 0.896 526 L HN 0.126 nan 8.230 nan 0.000 0.432 527 V N -0.587 119.405 119.914 0.129 0.000 2.515 527 V HA -0.273 3.847 4.120 0.001 0.000 0.250 527 V C 2.267 178.468 176.094 0.178 0.000 1.058 527 V CA 1.643 64.044 62.300 0.170 0.000 1.064 527 V CB -0.569 31.322 31.823 0.114 0.000 0.675 527 V HN 0.289 nan 8.190 nan 0.000 0.461 528 F N 1.573 121.525 119.950 0.003 0.000 2.113 528 F HA -0.092 4.436 4.527 0.001 0.000 0.297 528 F C 2.349 178.106 175.800 -0.072 0.000 1.103 528 F CA 1.228 59.219 58.000 -0.015 0.000 1.248 528 F CB -0.659 38.329 39.000 -0.020 0.000 0.999 528 F HN 0.088 nan 8.300 nan 0.000 0.475 529 A N -0.217 122.507 122.820 -0.159 0.000 1.997 529 A HA -0.270 4.050 4.320 0.001 0.000 0.221 529 A C 2.198 179.467 177.584 -0.526 0.000 1.172 529 A CA 1.777 53.462 52.037 -0.585 0.000 0.645 529 A CB -1.683 16.696 19.000 -1.035 0.000 0.813 529 A HN 0.478 nan 8.150 nan 0.000 0.454 530 F N 1.373 121.106 119.950 -0.362 0.000 2.091 530 F HA -0.293 4.234 4.527 0.001 0.000 0.299 530 F C 2.957 178.635 175.800 -0.205 0.000 1.103 530 F CA 2.300 60.153 58.000 -0.245 0.000 1.228 530 F CB -0.073 38.836 39.000 -0.153 0.000 0.984 530 F HN 0.376 nan 8.300 nan 0.000 0.477 531 S N -0.756 114.910 115.700 -0.058 0.000 2.371 531 S HA -0.174 4.296 4.470 0.001 0.000 0.224 531 S C 1.833 176.324 174.600 -0.181 0.000 1.029 531 S CA 1.051 59.171 58.200 -0.132 0.000 0.978 531 S CB -0.441 62.623 63.200 -0.226 0.000 0.833 531 S HN 0.246 nan 8.310 nan 0.000 0.466 532 K N 0.847 121.065 120.400 -0.303 0.000 2.002 532 K HA -0.026 4.295 4.320 0.001 0.000 0.209 532 K C 0.489 177.124 176.600 0.059 0.000 1.048 532 K CA 0.889 57.080 56.287 -0.160 0.000 0.930 532 K CB -0.560 31.841 32.500 -0.165 0.000 0.714 532 K HN 0.299 nan 8.250 nan 0.000 0.438 533 Y N 1.173 121.381 120.300 -0.153 0.000 2.223 533 Y HA 0.105 4.655 4.550 0.001 0.000 0.352 533 Y C 0.606 176.434 175.900 -0.120 0.000 1.293 533 Y CA -0.549 57.463 58.100 -0.145 0.000 1.601 533 Y CB 0.103 38.432 38.460 -0.217 0.000 1.407 533 Y HN 0.325 nan 8.280 nan 0.000 0.639 534 Q N -0.546 119.274 119.800 0.033 0.000 2.418 534 Q HA 0.191 4.531 4.340 0.001 0.000 0.282 534 Q C 0.636 176.636 176.000 -0.000 0.000 1.044 534 Q CA -0.772 55.036 55.803 0.008 0.000 0.813 534 Q CB 0.613 29.351 28.738 0.000 0.000 1.428 534 Q HN 0.882 nan 8.270 nan 0.000 0.402 535 H N 2.405 121.448 119.070 -0.045 0.000 2.237 535 H HA -0.334 4.223 4.556 0.001 0.000 0.266 535 H C 1.385 176.679 175.328 -0.057 0.000 1.136 535 H CA 3.349 59.373 56.048 -0.040 0.000 1.236 535 H CB 0.200 29.949 29.762 -0.022 0.000 1.480 535 H HN 0.778 nan 8.280 nan 0.000 0.570 536 K N -0.083 120.371 120.400 0.089 0.000 2.020 536 K HA -0.191 4.129 4.320 0.001 0.000 0.212 536 K C 2.067 178.600 176.600 -0.112 0.000 1.050 536 K CA 1.987 58.285 56.287 0.018 0.000 0.929 536 K CB -0.108 32.406 32.500 0.024 0.000 0.714 536 K HN 0.265 nan 8.250 nan 0.000 0.443 537 N N 0.820 119.408 118.700 -0.187 0.000 2.396 537 N HA -0.119 4.621 4.740 0.001 0.000 0.180 537 N C 1.561 176.976 175.510 -0.158 0.000 1.028 537 N CA 0.573 53.441 53.050 -0.303 0.000 0.893 537 N CB -0.226 37.812 38.487 -0.748 0.000 0.967 537 N HN 0.189 nan 8.380 nan 0.000 0.440 538 L N 0.868 121.989 121.223 -0.170 0.000 2.083 538 L HA -0.039 4.302 4.340 0.001 0.000 0.209 538 L C 1.710 178.338 176.870 -0.402 0.000 1.083 538 L CA 1.371 56.014 54.840 -0.328 0.000 0.752 538 L CB -0.500 41.300 42.059 -0.431 0.000 0.899 538 L HN 0.111 nan 8.230 nan 0.000 0.433 539 L N -0.990 120.109 121.223 -0.206 0.000 2.141 539 L HA -0.181 4.159 4.340 0.001 0.000 0.209 539 L C 2.400 179.296 176.870 0.042 0.000 1.094 539 L CA 0.886 55.731 54.840 0.008 0.000 0.763 539 L CB -0.684 41.371 42.059 -0.007 0.000 0.908 539 L HN 0.251 nan 8.230 nan 0.000 0.437 540 I N -0.454 120.111 120.570 -0.007 0.000 2.546 540 I HA -0.214 3.956 4.170 0.001 0.000 0.255 540 I C 2.488 178.642 176.117 0.061 0.000 1.163 540 I CA 0.976 62.299 61.300 0.039 0.000 1.457 540 I CB -0.397 37.619 38.000 0.026 0.000 1.092 540 I HN 0.274 nan 8.210 nan 0.000 0.434 541 L N 0.870 122.095 121.223 0.004 0.000 2.044 541 L HA -0.161 4.180 4.340 0.001 0.000 0.205 541 L C 2.523 179.381 176.870 -0.021 0.000 1.075 541 L CA 1.774 56.584 54.840 -0.050 0.000 0.747 541 L CB -0.955 40.949 42.059 -0.258 0.000 0.903 541 L HN 0.093 nan 8.230 nan 0.000 0.435 542 Y N -0.194 120.087 120.300 -0.031 0.000 2.139 542 Y HA -0.367 4.184 4.550 0.001 0.000 0.282 542 Y C 2.676 178.605 175.900 0.048 0.000 1.179 542 Y CA 1.558 59.675 58.100 0.029 0.000 1.161 542 Y CB -0.349 38.124 38.460 0.021 0.000 0.970 542 Y HN 0.379 nan 8.280 nan 0.000 0.511 543 D N 0.032 120.553 120.400 0.203 0.000 2.117 543 D HA -0.184 4.456 4.640 0.001 0.000 0.197 543 D C 2.187 178.550 176.300 0.105 0.000 0.987 543 D CA 1.238 55.314 54.000 0.127 0.000 0.829 543 D CB -0.006 40.852 40.800 0.096 0.000 0.961 543 D HN 0.369 nan 8.370 nan 0.000 0.460 544 A N 0.811 123.701 122.820 0.116 0.000 1.877 544 A HA -0.124 4.196 4.320 0.001 0.000 0.216 544 A C 2.473 180.132 177.584 0.125 0.000 1.186 544 A CA 1.036 53.148 52.037 0.126 0.000 0.620 544 A CB -0.742 18.368 19.000 0.183 0.000 0.822 544 A HN 0.304 nan 8.150 nan 0.000 0.443 545 I N -0.150 120.507 120.570 0.145 0.000 2.226 545 I HA -0.203 3.968 4.170 0.001 0.000 0.245 545 I C 2.711 178.897 176.117 0.115 0.000 1.100 545 I CA 1.132 62.521 61.300 0.149 0.000 1.374 545 I CB -0.650 37.477 38.000 0.212 0.000 1.057 545 I HN 0.389 nan 8.210 nan 0.000 0.413 546 G N 0.363 109.233 108.800 0.118 0.000 2.459 546 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 546 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 546 G C 1.657 176.580 174.900 0.038 0.000 1.183 546 G CA 1.580 46.724 45.100 0.074 0.000 0.776 546 G HN 0.319 nan 8.290 nan 0.000 0.552 547 T N 1.141 115.712 114.554 0.029 0.000 2.788 547 T HA -0.126 4.224 4.350 0.001 0.000 0.268 547 T C 2.227 176.913 174.700 -0.023 0.000 1.044 547 T CA 1.145 63.240 62.100 -0.009 0.000 1.139 547 T CB -0.248 68.601 68.868 -0.032 0.000 0.867 547 T HN 0.120 nan 8.240 nan 0.000 0.454 548 L N 1.752 122.972 121.223 -0.006 0.000 1.944 548 L HA -0.076 4.265 4.340 0.001 0.000 0.218 548 L C 2.746 179.617 176.870 0.002 0.000 1.075 548 L CA 2.254 57.090 54.840 -0.007 0.000 0.767 548 L CB -1.299 40.782 42.059 0.037 0.000 0.890 548 L HN 0.254 nan 8.230 nan 0.000 0.434 549 A N -0.669 122.163 122.820 0.020 0.000 1.909 549 A HA -0.366 3.954 4.320 0.001 0.000 0.221 549 A C 2.033 179.625 177.584 0.013 0.000 1.223 549 A CA 2.525 54.575 52.037 0.023 0.000 0.658 549 A CB -1.294 17.721 19.000 0.025 0.000 0.831 549 A HN 0.657 nan 8.150 nan 0.000 0.462 550 D N -0.558 119.842 120.400 0.000 0.000 2.144 550 D HA -0.029 4.612 4.640 0.001 0.000 0.199 550 D C 1.716 178.011 176.300 -0.008 0.000 0.984 550 D CA 1.506 55.501 54.000 -0.009 0.000 0.834 550 D CB -0.268 40.520 40.800 -0.020 0.000 0.955 550 D HN 0.397 nan 8.370 nan 0.000 0.465 551 S N -0.627 115.064 115.700 -0.015 0.000 2.597 551 S HA 0.155 4.626 4.470 0.001 0.000 0.224 551 S C 1.348 175.943 174.600 -0.009 0.000 0.955 551 S CA -0.208 57.977 58.200 -0.024 0.000 0.933 551 S CB 1.137 64.304 63.200 -0.056 0.000 0.788 551 S HN 0.020 nan 8.310 nan 0.000 0.488 552 V N -0.499 119.430 119.914 0.024 0.000 3.213 552 V HA 0.286 4.406 4.120 0.001 0.000 0.260 552 V C 1.248 177.438 176.094 0.160 0.000 1.663 552 V CA 0.540 62.879 62.300 0.064 0.000 1.026 552 V CB 0.154 31.989 31.823 0.021 0.000 0.874 552 V HN 0.531 nan 8.190 nan 0.000 0.410 553 G N 0.574 109.429 108.800 0.091 0.000 2.594 553 G HA2 -0.461 3.500 3.960 0.001 0.000 0.297 553 G HA3 -0.461 3.500 3.960 0.001 0.000 0.297 553 G C 0.820 175.764 174.900 0.073 0.000 1.273 553 G CA 1.228 46.370 45.100 0.071 0.000 0.974 553 G HN 1.302 nan 8.290 nan 0.000 0.552 554 H N -1.138 117.940 119.070 0.014 0.000 2.489 554 H HA -0.126 4.430 4.556 0.001 0.000 0.295 554 H C 2.419 177.746 175.328 -0.002 0.000 1.082 554 H CA 2.481 58.519 56.048 -0.017 0.000 1.295 554 H CB -0.888 28.830 29.762 -0.074 0.000 1.380 554 H HN 0.765 nan 8.280 nan 0.000 0.548 555 H N -0.755 118.353 119.070 0.063 0.000 2.431 555 H HA -0.109 4.448 4.556 0.001 0.000 0.297 555 H C 2.416 177.834 175.328 0.150 0.000 1.115 555 H CA 1.549 57.651 56.048 0.089 0.000 1.277 555 H CB -0.237 29.559 29.762 0.056 0.000 1.372 555 H HN 0.534 nan 8.280 nan 0.000 0.516 556 L N 1.375 122.730 121.223 0.221 0.000 2.291 556 L HA -0.056 4.284 4.340 0.001 0.000 0.214 556 L C 0.784 177.827 176.870 0.288 0.000 1.120 556 L CA 0.616 55.575 54.840 0.198 0.000 0.799 556 L CB -0.265 41.853 42.059 0.099 0.000 0.925 556 L HN 0.027 nan 8.230 nan 0.000 0.446 557 N N 1.780 120.604 118.700 0.207 0.000 2.549 557 N HA 0.085 4.826 4.740 0.001 0.000 0.267 557 N C -1.314 174.284 175.510 0.147 0.000 1.182 557 N CA 0.305 53.456 53.050 0.168 0.000 1.019 557 N CB -0.216 38.337 38.487 0.111 0.000 1.380 557 N HN 0.171 nan 8.380 nan 0.000 0.505 558 K N 3.196 123.687 120.400 0.151 0.000 2.525 558 K HA 0.263 4.583 4.320 0.001 0.000 0.254 558 K C -2.216 174.365 176.600 -0.033 0.000 0.934 558 K CA -1.661 54.621 56.287 -0.009 0.000 0.802 558 K CB 2.268 34.645 32.500 -0.204 0.000 1.295 558 K HN 0.026 nan 8.250 nan 0.000 0.433 559 P HA -0.280 nan 4.420 nan 0.000 0.217 559 P C 1.025 178.311 177.300 -0.024 0.000 1.148 559 P CA 1.439 64.532 63.100 -0.011 0.000 0.828 559 P CB 0.255 31.941 31.700 -0.023 0.000 0.783 560 E N -1.354 118.774 120.200 -0.120 0.000 2.150 560 E HA -0.206 4.144 4.350 0.001 0.000 0.193 560 E C 1.597 178.205 176.600 0.014 0.000 0.985 560 E CA 1.078 57.412 56.400 -0.110 0.000 0.814 560 E CB -1.088 28.486 29.700 -0.210 0.000 0.752 560 E HN 0.370 nan 8.360 nan 0.000 0.466 561 Y N 0.951 121.283 120.300 0.053 0.000 2.231 561 Y HA 0.045 4.596 4.550 0.001 0.000 0.294 561 Y C 2.535 178.467 175.900 0.055 0.000 1.120 561 Y CA 0.127 58.263 58.100 0.059 0.000 1.141 561 Y CB 0.015 38.516 38.460 0.069 0.000 1.022 561 Y HN -0.077 nan 8.280 nan 0.000 0.523 562 I N 0.455 121.154 120.570 0.214 0.000 2.208 562 I HA -0.353 3.817 4.170 0.001 0.000 0.245 562 I C 1.948 178.131 176.117 0.109 0.000 1.097 562 I CA 1.604 62.993 61.300 0.149 0.000 1.363 562 I CB -0.481 37.612 38.000 0.154 0.000 1.051 562 I HN 0.353 nan 8.210 nan 0.000 0.413 563 Q N 0.131 119.990 119.800 0.098 0.000 2.488 563 Q HA -0.129 4.211 4.340 0.001 0.000 0.211 563 Q C 2.056 178.092 176.000 0.061 0.000 0.967 563 Q CA 1.027 56.876 55.803 0.076 0.000 0.926 563 Q CB 0.100 28.871 28.738 0.054 0.000 0.992 563 Q HN 0.682 nan 8.270 nan 0.000 0.506 564 M N -2.942 116.703 119.600 0.074 0.000 2.653 564 M HA 0.147 4.628 4.480 0.001 0.000 0.259 564 M C 1.516 177.830 176.300 0.024 0.000 1.244 564 M CA 0.341 55.676 55.300 0.058 0.000 1.163 564 M CB 0.029 32.684 32.600 0.092 0.000 1.309 564 M HN 0.077 nan 8.290 nan 0.000 0.509 565 L N 1.306 122.550 121.223 0.034 0.000 2.131 565 L HA 0.103 4.444 4.340 0.001 0.000 0.206 565 L C 2.271 179.091 176.870 -0.084 0.000 1.087 565 L CA 1.694 56.531 54.840 -0.004 0.000 0.767 565 L CB -0.461 41.622 42.059 0.041 0.000 0.917 565 L HN 0.300 nan 8.230 nan 0.000 0.441 566 M N -0.183 119.354 119.600 -0.105 0.000 2.098 566 M HA -0.027 4.454 4.480 0.001 0.000 0.262 566 M C 0.027 176.215 176.300 -0.186 0.000 1.072 566 M CA 1.555 56.717 55.300 -0.230 0.000 1.133 566 M CB -2.235 30.130 32.600 -0.391 0.000 1.344 566 M HN 0.079 nan 8.290 nan 0.000 0.414 567 P HA -0.139 nan 4.420 nan 0.000 0.216 567 P C -1.393 175.826 177.300 -0.135 0.000 1.154 567 P CA 1.876 64.929 63.100 -0.079 0.000 0.865 567 P CB -1.379 30.297 31.700 -0.040 0.000 0.789 568 P HA -0.054 nan 4.420 nan 0.000 0.220 568 P C 1.589 178.648 177.300 -0.402 0.000 1.152 568 P CA 1.062 63.902 63.100 -0.432 0.000 0.812 568 P CB -0.457 30.721 31.700 -0.870 0.000 0.792 569 L N -1.352 119.682 121.223 -0.315 0.000 2.046 569 L HA -0.156 4.184 4.340 0.001 0.000 0.208 569 L C 2.320 179.220 176.870 0.050 0.000 1.077 569 L CA 1.263 56.060 54.840 -0.070 0.000 0.747 569 L CB -0.828 41.210 42.059 -0.036 0.000 0.896 569 L HN -0.121 nan 8.230 nan 0.000 0.432 570 I N -0.151 120.400 120.570 -0.032 0.000 2.394 570 I HA -0.285 3.885 4.170 0.001 0.000 0.251 570 I C 2.643 178.854 176.117 0.157 0.000 1.136 570 I CA 1.208 62.534 61.300 0.043 0.000 1.425 570 I CB -0.294 37.678 38.000 -0.047 0.000 1.079 570 I HN 0.344 nan 8.210 nan 0.000 0.425 571 Q N 0.942 120.787 119.800 0.076 0.000 2.084 571 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 571 Q C 1.934 178.025 176.000 0.152 0.000 0.978 571 Q CA 1.792 57.651 55.803 0.092 0.000 0.844 571 Q CB -0.292 28.465 28.738 0.031 0.000 0.898 571 Q HN 0.230 nan 8.270 nan 0.000 0.426 572 K N -0.259 120.254 120.400 0.188 0.000 2.155 572 K HA -0.116 4.204 4.320 0.001 0.000 0.203 572 K C 1.817 178.567 176.600 0.249 0.000 1.052 572 K CA 1.006 57.440 56.287 0.246 0.000 0.948 572 K CB -0.618 32.105 32.500 0.372 0.000 0.728 572 K HN 0.487 nan 8.250 nan 0.000 0.448 573 W N 3.064 124.416 121.300 0.086 0.000 2.333 573 W HA -0.202 4.458 4.660 0.001 0.000 0.316 573 W C 1.187 177.748 176.519 0.070 0.000 1.215 573 W CA 1.495 58.886 57.345 0.076 0.000 1.278 573 W CB -0.227 29.273 29.460 0.067 0.000 1.154 573 W HN 0.117 nan 8.180 nan 0.000 0.486 574 N N 0.539 119.422 118.700 0.304 0.000 2.270 574 N HA -0.193 4.547 4.740 0.001 0.000 0.181 574 N C 1.831 177.382 175.510 0.068 0.000 1.016 574 N CA 1.758 54.907 53.050 0.165 0.000 0.870 574 N CB -0.893 37.715 38.487 0.203 0.000 0.979 574 N HN 0.317 nan 8.380 nan 0.000 0.431 575 M N 0.580 120.232 119.600 0.086 0.000 2.175 575 M HA -0.030 4.450 4.480 0.001 0.000 0.264 575 M C 0.165 176.483 176.300 0.029 0.000 1.063 575 M CA 1.016 56.353 55.300 0.063 0.000 1.119 575 M CB 0.131 32.784 32.600 0.089 0.000 1.377 575 M HN -0.068 nan 8.290 nan 0.000 0.415 576 L N 1.779 123.007 121.223 0.008 0.000 2.395 576 L HA 0.241 4.582 4.340 0.001 0.000 0.269 576 L C -0.108 176.712 176.870 -0.083 0.000 1.133 576 L CA -0.172 54.653 54.840 -0.025 0.000 0.812 576 L CB 0.840 42.885 42.059 -0.024 0.000 1.125 576 L HN 0.136 nan 8.230 nan 0.000 0.452 577 K N 0.913 121.280 120.400 -0.056 0.000 2.208 577 K HA 0.187 4.508 4.320 0.001 0.000 0.247 577 K C -0.067 176.493 176.600 -0.067 0.000 0.953 577 K CA -0.898 55.347 56.287 -0.071 0.000 0.837 577 K CB 1.577 34.050 32.500 -0.046 0.000 1.131 577 K HN 0.416 nan 8.250 nan 0.000 0.431 578 D N 1.580 121.918 120.400 -0.103 0.000 2.357 578 D HA -0.134 4.506 4.640 0.001 0.000 0.216 578 D C 0.533 176.694 176.300 -0.230 0.000 0.973 578 D CA 1.378 55.300 54.000 -0.130 0.000 0.912 578 D CB 0.243 40.946 40.800 -0.162 0.000 0.900 578 D HN 0.451 nan 8.370 nan 0.000 0.501 579 E N -0.183 119.923 120.200 -0.158 0.000 2.474 579 E HA 0.041 4.392 4.350 0.001 0.000 0.195 579 E C -0.043 176.623 176.600 0.110 0.000 1.039 579 E CA -0.050 56.240 56.400 -0.183 0.000 0.881 579 E CB 0.388 30.015 29.700 -0.123 0.000 0.970 579 E HN 0.041 nan 8.360 nan 0.000 0.486 580 D N 0.973 121.465 120.400 0.154 0.000 2.347 580 D HA 0.063 4.703 4.640 0.001 0.000 0.235 580 D C 0.240 176.547 176.300 0.013 0.000 1.149 580 D CA -0.127 53.931 54.000 0.096 0.000 0.850 580 D CB 0.782 41.598 40.800 0.026 0.000 1.061 580 D HN -0.079 nan 8.370 nan 0.000 0.487 581 K N 2.270 122.548 120.400 -0.203 0.000 2.585 581 K HA -0.080 4.241 4.320 0.001 0.000 0.194 581 K C 0.382 176.392 176.600 -0.983 0.000 1.037 581 K CA 0.311 55.989 56.287 -1.014 0.000 0.964 581 K CB 0.454 32.510 32.500 -0.741 0.000 0.787 581 K HN 0.355 nan 8.250 nan 0.000 0.488 582 D N 0.839 121.000 120.400 -0.399 0.000 2.363 582 D HA -0.002 4.638 4.640 0.001 0.000 0.226 582 D C 1.493 177.671 176.300 -0.203 0.000 1.020 582 D CA 0.467 54.344 54.000 -0.205 0.000 0.892 582 D CB 0.211 41.013 40.800 0.004 0.000 0.900 582 D HN 0.211 nan 8.370 nan 0.000 0.531 583 L N -0.160 120.905 121.223 -0.264 0.000 2.179 583 L HA -0.094 4.247 4.340 0.001 0.000 0.208 583 L C 2.014 178.889 176.870 0.008 0.000 1.096 583 L CA 0.354 55.143 54.840 -0.085 0.000 0.779 583 L CB -0.231 41.856 42.059 0.046 0.000 0.922 583 L HN -0.042 nan 8.230 nan 0.000 0.443 584 F N 0.531 120.353 119.950 -0.215 0.000 2.065 584 F HA -0.149 4.378 4.527 0.000 0.000 0.298 584 F C -0.035 175.655 175.800 -0.183 0.000 1.112 584 F CA 0.878 58.754 58.000 -0.208 0.000 1.212 584 F CB -2.849 36.017 39.000 -0.224 0.000 0.975 584 F HN 0.159 nan 8.300 nan 0.000 0.476 585 P HA -0.072 nan 4.420 nan 0.000 0.218 585 P C 2.137 179.133 177.300 -0.507 0.000 1.152 585 P CA 0.790 63.790 63.100 -0.165 0.000 0.826 585 P CB -0.102 31.563 31.700 -0.058 0.000 0.790 586 L N -0.627 120.158 121.223 -0.730 0.000 2.017 586 L HA -0.129 4.211 4.340 0.001 0.000 0.208 586 L C 2.193 178.953 176.870 -0.183 0.000 1.073 586 L CA 1.911 56.322 54.840 -0.715 0.000 0.745 586 L CB -1.257 40.593 42.059 -0.349 0.000 0.894 586 L HN -0.161 nan 8.230 nan 0.000 0.432 587 L N -1.088 120.113 121.223 -0.037 0.000 2.072 587 L HA -0.081 4.260 4.340 0.001 0.000 0.205 587 L C 2.581 179.469 176.870 0.030 0.000 1.079 587 L CA 0.762 55.656 54.840 0.090 0.000 0.752 587 L CB -0.893 41.251 42.059 0.141 0.000 0.906 587 L HN 0.276 nan 8.230 nan 0.000 0.436 588 E N -0.211 119.982 120.200 -0.011 0.000 2.160 588 E HA -0.255 4.095 4.350 0.001 0.000 0.195 588 E C 2.228 178.822 176.600 -0.010 0.000 0.991 588 E CA 1.253 57.643 56.400 -0.017 0.000 0.810 588 E CB -0.550 29.139 29.700 -0.020 0.000 0.742 588 E HN 0.499 nan 8.360 nan 0.000 0.466 589 C N 0.337 119.627 119.300 -0.016 0.000 2.436 589 C HA -0.123 4.337 4.460 0.001 0.000 0.277 589 C C 2.617 177.628 174.990 0.035 0.000 1.241 589 C CA 0.451 59.492 59.018 0.038 0.000 1.721 589 C CB -1.042 26.749 27.740 0.085 0.000 2.043 589 C HN 0.289 nan 8.230 nan 0.000 0.472 590 L N 1.974 123.218 121.223 0.035 0.000 2.127 590 L HA -0.087 4.254 4.340 0.001 0.000 0.211 590 L C 2.953 179.763 176.870 -0.101 0.000 1.089 590 L CA 2.470 57.316 54.840 0.009 0.000 0.757 590 L CB -0.901 41.201 42.059 0.071 0.000 0.899 590 L HN 0.662 nan 8.230 nan 0.000 0.434 591 S N -2.969 112.690 115.700 -0.068 0.000 2.406 591 S HA -0.114 4.357 4.470 0.001 0.000 0.228 591 S C 2.134 176.676 174.600 -0.098 0.000 1.020 591 S CA 1.162 59.301 58.200 -0.101 0.000 0.965 591 S CB -0.383 62.785 63.200 -0.054 0.000 0.798 591 S HN 0.332 nan 8.310 nan 0.000 0.488 592 S N 1.051 116.717 115.700 -0.057 0.000 2.383 592 S HA 0.030 4.501 4.470 0.001 0.000 0.227 592 S C 1.879 176.452 174.600 -0.045 0.000 1.026 592 S CA 1.159 59.336 58.200 -0.039 0.000 0.981 592 S CB -0.407 62.789 63.200 -0.007 0.000 0.818 592 S HN 0.465 nan 8.310 nan 0.000 0.472 593 V N 1.904 121.789 119.914 -0.048 0.000 2.283 593 V HA -0.110 4.010 4.120 0.001 0.000 0.243 593 V C 2.660 178.690 176.094 -0.108 0.000 1.039 593 V CA 1.584 63.868 62.300 -0.026 0.000 1.016 593 V CB -1.267 30.577 31.823 0.035 0.000 0.650 593 V HN 0.507 nan 8.190 nan 0.000 0.449 594 A N -0.060 122.535 122.820 -0.376 0.000 1.917 594 A HA -0.277 4.043 4.320 0.001 0.000 0.219 594 A C 2.384 179.794 177.584 -0.289 0.000 1.182 594 A CA 2.758 54.347 52.037 -0.746 0.000 0.633 594 A CB -1.070 17.191 19.000 -1.231 0.000 0.819 594 A HN 0.517 nan 8.150 nan 0.000 0.448 595 T N -0.068 114.379 114.554 -0.178 0.000 2.737 595 T HA 0.024 4.374 4.350 0.001 0.000 0.265 595 T C 2.221 176.905 174.700 -0.027 0.000 1.038 595 T CA 1.614 63.667 62.100 -0.078 0.000 1.144 595 T CB -0.396 68.435 68.868 -0.061 0.000 0.866 595 T HN 0.612 nan 8.240 nan 0.000 0.434 596 A N 1.020 123.831 122.820 -0.015 0.000 1.929 596 A HA 0.152 4.472 4.320 0.001 0.000 0.216 596 A C 2.126 179.744 177.584 0.055 0.000 1.176 596 A CA 0.894 52.945 52.037 0.024 0.000 0.628 596 A CB -0.625 18.395 19.000 0.034 0.000 0.816 596 A HN 0.475 nan 8.150 nan 0.000 0.444 597 L N -1.041 120.229 121.223 0.079 0.000 2.610 597 L HA -0.082 4.259 4.340 0.001 0.000 0.232 597 L C 1.381 178.334 176.870 0.137 0.000 1.149 597 L CA 0.320 55.245 54.840 0.141 0.000 0.872 597 L CB -0.667 41.535 42.059 0.238 0.000 0.992 597 L HN 0.549 nan 8.230 nan 0.000 0.447 598 Q N 0.004 119.857 119.800 0.090 0.000 2.288 598 Q HA -0.409 3.931 4.340 0.001 0.000 0.441 598 Q C 1.610 177.688 176.000 0.131 0.000 0.659 598 Q CA 2.633 58.485 55.803 0.082 0.000 0.924 598 Q CB -1.127 27.645 28.738 0.057 0.000 2.898 598 Q HN 0.545 nan 8.270 nan 0.000 0.941 599 S N -0.274 115.490 115.700 0.106 0.000 2.561 599 S HA 0.061 4.531 4.470 0.001 0.000 0.225 599 S C 1.538 176.211 174.600 0.122 0.000 0.977 599 S CA 0.658 58.922 58.200 0.107 0.000 0.926 599 S CB 0.004 63.243 63.200 0.067 0.000 0.769 599 S HN 0.681 nan 8.310 nan 0.000 0.533 600 G N 0.503 109.391 108.800 0.146 0.000 2.471 600 G HA2 -0.064 3.897 3.960 0.001 0.000 0.219 600 G HA3 -0.064 3.897 3.960 0.001 0.000 0.219 600 G C 0.882 175.923 174.900 0.234 0.000 1.125 600 G CA 0.122 45.316 45.100 0.157 0.000 0.775 600 G HN 0.551 nan 8.290 nan 0.000 0.548 601 F N 0.358 120.389 119.950 0.134 0.000 2.661 601 F HA 0.221 4.748 4.527 0.001 0.000 0.298 601 F C 2.140 178.049 175.800 0.180 0.000 1.137 601 F CA -0.253 57.875 58.000 0.214 0.000 1.454 601 F CB 0.176 39.249 39.000 0.122 0.000 1.103 601 F HN -0.021 nan 8.300 nan 0.000 0.577 602 L N 1.579 122.887 121.223 0.141 0.000 2.034 602 L HA -0.206 4.135 4.340 0.001 0.000 0.217 602 L C -0.475 176.309 176.870 -0.144 0.000 1.077 602 L CA 2.328 57.183 54.840 0.026 0.000 0.769 602 L CB -2.229 39.837 42.059 0.011 0.000 0.890 602 L HN 0.023 nan 8.230 nan 0.000 0.435 603 P HA -0.165 nan 4.420 nan 0.000 0.223 603 P C 0.699 177.587 177.300 -0.687 0.000 1.144 603 P CA 1.502 64.262 63.100 -0.568 0.000 0.783 603 P CB -0.080 31.107 31.700 -0.855 0.000 0.771 604 Y N -2.405 117.649 120.300 -0.412 0.000 2.483 604 Y HA 0.055 4.606 4.550 0.001 0.000 0.258 604 Y C 2.514 178.211 175.900 -0.338 0.000 1.083 604 Y CA -0.119 57.656 58.100 -0.540 0.000 1.283 604 Y CB -1.239 36.592 38.460 -1.048 0.000 1.178 604 Y HN 0.072 nan 8.280 nan 0.000 0.515 605 C N 0.163 119.460 119.300 -0.005 0.000 2.413 605 C HA -0.183 4.278 4.460 0.001 0.000 0.277 605 C C 2.401 177.496 174.990 0.175 0.000 1.265 605 C CA 1.182 60.350 59.018 0.251 0.000 1.752 605 C CB -0.881 27.027 27.740 0.282 0.000 1.998 605 C HN 0.561 nan 8.230 nan 0.000 0.489 606 E N 2.911 123.155 120.200 0.073 0.000 2.021 606 E HA -0.145 4.205 4.350 0.001 0.000 0.200 606 E C -0.235 176.452 176.600 0.144 0.000 1.015 606 E CA 2.591 59.036 56.400 0.074 0.000 0.824 606 E CB -1.093 28.617 29.700 0.017 0.000 0.762 606 E HN 0.486 nan 8.360 nan 0.000 0.454 607 P HA -0.102 nan 4.420 nan 0.000 0.217 607 P C 1.462 178.924 177.300 0.269 0.000 1.151 607 P CA 0.954 64.160 63.100 0.176 0.000 0.828 607 P CB 0.040 31.817 31.700 0.129 0.000 0.788 608 V N -0.907 119.095 119.914 0.147 0.000 2.255 608 V HA -0.293 3.827 4.120 0.001 0.000 0.247 608 V C 2.336 178.632 176.094 0.336 0.000 1.051 608 V CA 1.951 64.344 62.300 0.157 0.000 1.018 608 V CB -1.331 30.521 31.823 0.048 0.000 0.641 608 V HN 0.045 nan 8.190 nan 0.000 0.445 609 Y N 0.769 121.179 120.300 0.182 0.000 2.097 609 Y HA -0.347 4.203 4.550 0.001 0.000 0.282 609 Y C 2.753 178.747 175.900 0.157 0.000 1.152 609 Y CA 2.351 60.544 58.100 0.155 0.000 1.136 609 Y CB -0.301 38.230 38.460 0.117 0.000 0.975 609 Y HN 0.282 nan 8.280 nan 0.000 0.498 610 Q N -0.248 119.779 119.800 0.378 0.000 2.077 610 Q HA -0.283 4.057 4.340 0.001 0.000 0.206 610 Q C 2.410 178.505 176.000 0.158 0.000 0.989 610 Q CA 2.146 58.105 55.803 0.260 0.000 0.853 610 Q CB -0.313 28.568 28.738 0.238 0.000 0.907 610 Q HN 0.447 nan 8.270 nan 0.000 0.418 611 R N -0.029 120.612 120.500 0.234 0.000 2.080 611 R HA -0.167 4.174 4.340 0.001 0.000 0.236 611 R C 2.265 178.631 176.300 0.109 0.000 1.137 611 R CA 1.817 58.033 56.100 0.194 0.000 0.943 611 R CB -0.527 29.976 30.300 0.338 0.000 0.846 611 R HN 0.321 nan 8.270 nan 0.000 0.431 612 C N -0.226 119.150 119.300 0.127 0.000 2.401 612 C HA -0.098 4.363 4.460 0.001 0.000 0.276 612 C C 2.653 177.609 174.990 -0.056 0.000 1.233 612 C CA 0.822 59.862 59.018 0.037 0.000 1.753 612 C CB -0.710 27.033 27.740 0.005 0.000 2.029 612 C HN 0.429 nan 8.230 nan 0.000 0.478 613 V N 1.669 121.499 119.914 -0.139 0.000 2.295 613 V HA -0.212 3.908 4.120 0.001 0.000 0.246 613 V C 2.234 178.298 176.094 -0.051 0.000 1.049 613 V CA 2.119 64.336 62.300 -0.137 0.000 1.024 613 V CB -0.737 30.985 31.823 -0.169 0.000 0.648 613 V HN 0.524 nan 8.190 nan 0.000 0.447 614 N N 0.318 119.007 118.700 -0.019 0.000 2.094 614 N HA -0.170 4.570 4.740 0.001 0.000 0.191 614 N C 1.785 177.282 175.510 -0.022 0.000 1.023 614 N CA 1.552 54.596 53.050 -0.010 0.000 0.857 614 N CB -0.513 37.976 38.487 0.005 0.000 1.013 614 N HN 0.402 nan 8.380 nan 0.000 0.426 615 L N 0.357 121.572 121.223 -0.014 0.000 2.046 615 L HA -0.127 4.213 4.340 0.001 0.000 0.208 615 L C 2.242 179.109 176.870 -0.006 0.000 1.077 615 L CA 0.772 55.609 54.840 -0.006 0.000 0.747 615 L CB -0.410 41.681 42.059 0.053 0.000 0.896 615 L HN -0.011 nan 8.230 nan 0.000 0.432 616 V N -0.641 119.264 119.914 -0.014 0.000 2.307 616 V HA -0.313 3.807 4.120 0.001 0.000 0.245 616 V C 2.410 178.486 176.094 -0.030 0.000 1.045 616 V CA 1.800 64.085 62.300 -0.025 0.000 1.024 616 V CB -0.603 31.195 31.823 -0.042 0.000 0.651 616 V HN 0.491 nan 8.190 nan 0.000 0.449 617 Q N 0.258 120.040 119.800 -0.029 0.000 2.030 617 Q HA -0.295 4.045 4.340 0.001 0.000 0.204 617 Q C 2.354 178.334 176.000 -0.034 0.000 0.986 617 Q CA 2.197 57.984 55.803 -0.026 0.000 0.843 617 Q CB -0.092 28.635 28.738 -0.018 0.000 0.904 617 Q HN 0.585 nan 8.270 nan 0.000 0.420 618 K N -0.766 119.610 120.400 -0.040 0.000 2.063 618 K HA -0.114 4.206 4.320 0.001 0.000 0.208 618 K C 2.120 178.686 176.600 -0.057 0.000 1.048 618 K CA 1.830 58.084 56.287 -0.054 0.000 0.928 618 K CB -0.088 32.368 32.500 -0.073 0.000 0.713 618 K HN 0.240 nan 8.250 nan 0.000 0.442 619 T N 1.600 116.126 114.554 -0.047 0.000 2.746 619 T HA -0.097 4.253 4.350 0.001 0.000 0.267 619 T C 1.801 176.479 174.700 -0.037 0.000 1.039 619 T CA 1.023 63.103 62.100 -0.033 0.000 1.142 619 T CB -0.189 68.679 68.868 -0.001 0.000 0.866 619 T HN 0.088 nan 8.240 nan 0.000 0.444 620 L N 0.742 121.940 121.223 -0.042 0.000 2.012 620 L HA -0.134 4.207 4.340 0.001 0.000 0.210 620 L C 3.062 179.899 176.870 -0.055 0.000 1.073 620 L CA 1.332 56.143 54.840 -0.049 0.000 0.748 620 L CB -0.717 41.315 42.059 -0.046 0.000 0.891 620 L HN 0.253 nan 8.230 nan 0.000 0.431 621 A N -0.395 122.392 122.820 -0.055 0.000 1.865 621 A HA -0.295 4.025 4.320 0.001 0.000 0.217 621 A C 2.192 179.724 177.584 -0.087 0.000 1.191 621 A CA 1.887 53.883 52.037 -0.068 0.000 0.623 621 A CB -0.645 18.320 19.000 -0.060 0.000 0.826 621 A HN 0.467 nan 8.150 nan 0.000 0.444 622 Q N -0.785 118.973 119.800 -0.070 0.000 2.181 622 Q HA -0.114 4.227 4.340 0.001 0.000 0.205 622 Q C 2.289 178.253 176.000 -0.060 0.000 0.980 622 Q CA 1.520 57.285 55.803 -0.062 0.000 0.862 622 Q CB -0.389 28.327 28.738 -0.036 0.000 0.905 622 Q HN 0.711 nan 8.270 nan 0.000 0.429 623 A N 0.073 122.861 122.820 -0.054 0.000 1.968 623 A HA -0.125 4.195 4.320 0.001 0.000 0.217 623 A C 1.928 179.473 177.584 -0.064 0.000 1.169 623 A CA 0.972 52.981 52.037 -0.046 0.000 0.638 623 A CB -0.297 18.677 19.000 -0.043 0.000 0.812 623 A HN 0.279 nan 8.150 nan 0.000 0.446 624 M N -0.615 118.933 119.600 -0.086 0.000 2.064 624 M HA -0.061 4.420 4.480 0.001 0.000 0.260 624 M C 2.121 178.334 176.300 -0.146 0.000 1.073 624 M CA 1.402 56.642 55.300 -0.100 0.000 1.124 624 M CB -0.580 31.960 32.600 -0.099 0.000 1.326 624 M HN 0.355 nan 8.290 nan 0.000 0.410 625 L N 0.297 121.376 121.223 -0.241 0.000 1.978 625 L HA -0.343 3.997 4.340 0.001 0.000 0.218 625 L C 2.501 179.216 176.870 -0.258 0.000 1.075 625 L CA 1.709 56.263 54.840 -0.477 0.000 0.767 625 L CB -1.124 40.445 42.059 -0.816 0.000 0.890 625 L HN 0.543 nan 8.230 nan 0.000 0.434 626 N N 0.385 119.033 118.700 -0.087 0.000 2.094 626 N HA -0.277 4.464 4.740 0.001 0.000 0.191 626 N C 1.678 177.200 175.510 0.020 0.000 1.023 626 N CA 2.098 55.172 53.050 0.040 0.000 0.857 626 N CB -0.149 38.362 38.487 0.040 0.000 1.013 626 N HN 0.343 nan 8.380 nan 0.000 0.426 627 N N 0.403 119.090 118.700 -0.021 0.000 2.120 627 N HA -0.078 4.662 4.740 0.001 0.000 0.188 627 N C 1.664 177.169 175.510 -0.008 0.000 1.024 627 N CA 1.715 54.756 53.050 -0.016 0.000 0.852 627 N CB -0.316 38.151 38.487 -0.032 0.000 1.003 627 N HN 0.325 nan 8.380 nan 0.000 0.424 628 A N -0.908 121.896 122.820 -0.027 0.000 1.898 628 A HA 0.008 4.329 4.320 0.001 0.000 0.216 628 A C 1.009 178.619 177.584 0.044 0.000 1.181 628 A CA 1.079 53.111 52.037 -0.009 0.000 0.620 628 A CB -0.003 18.970 19.000 -0.046 0.000 0.819 628 A HN 0.394 nan 8.150 nan 0.000 0.442 629 Q N -1.305 118.555 119.800 0.099 0.000 3.300 629 Q HA 0.188 4.529 4.340 0.001 0.000 0.271 629 Q C -2.249 173.857 176.000 0.177 0.000 0.926 629 Q CA -1.532 54.380 55.803 0.183 0.000 0.788 629 Q CB 1.482 30.446 28.738 0.376 0.000 1.385 629 Q HN 0.293 nan 8.270 nan 0.000 0.424 630 P HA -0.190 nan 4.420 nan 0.000 0.216 630 P C 0.793 178.129 177.300 0.060 0.000 1.153 630 P CA 1.447 64.590 63.100 0.073 0.000 0.858 630 P CB 0.208 31.934 31.700 0.042 0.000 0.789 631 D N -1.603 118.822 120.400 0.042 0.000 2.349 631 D HA -0.098 4.542 4.640 0.001 0.000 0.224 631 D C 1.557 177.845 176.300 -0.021 0.000 1.029 631 D CA 0.501 54.508 54.000 0.011 0.000 0.879 631 D CB -0.258 40.546 40.800 0.006 0.000 0.906 631 D HN 0.265 nan 8.370 nan 0.000 0.528 632 Q N -0.998 118.787 119.800 -0.025 0.000 2.210 632 Q HA 0.073 4.413 4.340 0.001 0.000 0.252 632 Q C -0.754 175.008 176.000 -0.396 0.000 0.811 632 Q CA -0.032 55.653 55.803 -0.197 0.000 0.953 632 Q CB 1.093 29.693 28.738 -0.230 0.000 1.136 632 Q HN 0.190 nan 8.270 nan 0.000 0.491 633 Y N 0.104 120.400 120.300 -0.006 0.000 2.406 633 Y HA 0.402 4.953 4.550 0.001 0.000 0.340 633 Y C 0.027 175.923 175.900 -0.006 0.000 0.975 633 Y CA -0.653 57.442 58.100 -0.008 0.000 1.056 633 Y CB 1.469 39.923 38.460 -0.010 0.000 1.210 633 Y HN -0.052 nan 8.280 nan 0.000 0.448 634 E N 1.597 121.876 120.200 0.132 0.000 2.360 634 E HA 0.597 4.948 4.350 0.001 0.000 0.269 634 E C 0.016 176.663 176.600 0.079 0.000 1.022 634 E CA -0.134 56.314 56.400 0.079 0.000 0.887 634 E CB 0.546 30.276 29.700 0.050 0.000 0.990 634 E HN 0.857 nan 8.360 nan 0.000 0.426 635 A N 4.195 127.049 122.820 0.057 0.000 2.511 635 A HA 0.486 4.807 4.320 0.001 0.000 0.242 635 A C -1.564 176.046 177.584 0.044 0.000 1.069 635 A CA -0.561 51.502 52.037 0.042 0.000 0.763 635 A CB -0.189 18.831 19.000 0.033 0.000 1.001 635 A HN 0.680 nan 8.150 nan 0.000 0.498 636 P HA 0.159 nan 4.420 nan 0.000 0.274 636 P C -0.890 176.462 177.300 0.086 0.000 1.231 636 P CA -0.365 62.763 63.100 0.046 0.000 0.790 636 P CB 0.671 32.383 31.700 0.020 0.000 0.951 637 D N 1.409 121.908 120.400 0.166 0.000 2.338 637 D HA 0.040 4.680 4.640 0.001 0.000 0.255 637 D C 0.863 177.300 176.300 0.229 0.000 1.237 637 D CA 0.053 54.196 54.000 0.238 0.000 0.883 637 D CB 0.441 41.502 40.800 0.436 0.000 1.087 637 D HN 0.167 nan 8.370 nan 0.000 0.485 638 K N 2.253 122.697 120.400 0.072 0.000 2.432 638 K HA -0.048 4.272 4.320 0.001 0.000 0.196 638 K C 0.814 177.358 176.600 -0.094 0.000 1.038 638 K CA 0.204 56.496 56.287 0.008 0.000 0.986 638 K CB 0.416 32.896 32.500 -0.034 0.000 0.782 638 K HN 0.392 nan 8.250 nan 0.000 0.485 639 D N 0.500 120.759 120.400 -0.236 0.000 2.221 639 D HA -0.154 4.487 4.640 0.001 0.000 0.204 639 D C 1.332 177.154 176.300 -0.797 0.000 0.982 639 D CA 1.096 54.692 54.000 -0.674 0.000 0.857 639 D CB -0.073 40.028 40.800 -1.164 0.000 0.934 639 D HN 0.158 nan 8.370 nan 0.000 0.475 640 F N 0.149 119.910 119.950 -0.314 0.000 2.186 640 F HA -0.060 4.467 4.527 0.000 0.000 0.299 640 F C 2.507 178.245 175.800 -0.104 0.000 1.090 640 F CA 0.664 58.615 58.000 -0.081 0.000 1.307 640 F CB -0.283 38.757 39.000 0.066 0.000 1.019 640 F HN -0.091 nan 8.300 nan 0.000 0.489 641 M N 0.026 119.664 119.600 0.064 0.000 2.123 641 M HA -0.132 4.349 4.480 0.001 0.000 0.263 641 M C 2.112 178.371 176.300 -0.069 0.000 1.069 641 M CA 1.805 57.102 55.300 -0.005 0.000 1.133 641 M CB -0.295 32.292 32.600 -0.023 0.000 1.356 641 M HN 0.100 nan 8.290 nan 0.000 0.415 642 I N -0.512 119.981 120.570 -0.128 0.000 2.264 642 I HA -0.293 3.877 4.170 0.001 0.000 0.248 642 I C 2.159 178.193 176.117 -0.138 0.000 1.111 642 I CA 1.051 62.262 61.300 -0.148 0.000 1.382 642 I CB -0.399 37.486 38.000 -0.191 0.000 1.060 642 I HN 0.168 nan 8.210 nan 0.000 0.418 643 V N 0.467 120.278 119.914 -0.171 0.000 2.488 643 V HA -0.159 3.962 4.120 0.001 0.000 0.246 643 V C 2.578 178.655 176.094 -0.028 0.000 1.046 643 V CA 1.731 63.962 62.300 -0.116 0.000 1.053 643 V CB -0.480 31.249 31.823 -0.156 0.000 0.679 643 V HN 0.465 nan 8.190 nan 0.000 0.458 644 A N -0.289 122.530 122.820 -0.001 0.000 1.898 644 A HA -0.109 4.211 4.320 0.001 0.000 0.216 644 A C 2.173 179.752 177.584 -0.008 0.000 1.181 644 A CA 1.475 53.528 52.037 0.028 0.000 0.620 644 A CB -0.452 18.570 19.000 0.038 0.000 0.819 644 A HN 0.480 nan 8.150 nan 0.000 0.442 645 L N -0.391 120.811 121.223 -0.034 0.000 2.012 645 L HA -0.222 4.118 4.340 0.001 0.000 0.210 645 L C 2.105 178.959 176.870 -0.027 0.000 1.073 645 L CA 1.658 56.472 54.840 -0.043 0.000 0.748 645 L CB -0.773 41.248 42.059 -0.063 0.000 0.891 645 L HN 0.293 nan 8.230 nan 0.000 0.431 646 D N -0.129 120.252 120.400 -0.033 0.000 2.178 646 D HA -0.171 4.469 4.640 0.001 0.000 0.201 646 D C 2.003 178.292 176.300 -0.018 0.000 0.980 646 D CA 0.983 54.966 54.000 -0.028 0.000 0.842 646 D CB -0.082 40.692 40.800 -0.043 0.000 0.948 646 D HN 0.132 nan 8.370 nan 0.000 0.472 647 L N 0.292 121.513 121.223 -0.004 0.000 2.109 647 L HA 0.019 4.359 4.340 0.001 0.000 0.207 647 L C 1.979 178.852 176.870 0.005 0.000 1.086 647 L CA 1.151 55.993 54.840 0.004 0.000 0.760 647 L CB -0.536 41.560 42.059 0.061 0.000 0.910 647 L HN -0.002 nan 8.230 nan 0.000 0.437 648 L N -0.714 120.517 121.223 0.012 0.000 2.046 648 L HA -0.197 4.143 4.340 0.001 0.000 0.208 648 L C 2.723 179.626 176.870 0.055 0.000 1.077 648 L CA 1.582 56.440 54.840 0.029 0.000 0.747 648 L CB -0.742 41.301 42.059 -0.026 0.000 0.896 648 L HN 0.499 nan 8.230 nan 0.000 0.432 649 S N -0.098 115.623 115.700 0.036 0.000 2.419 649 S HA -0.115 4.355 4.470 0.001 0.000 0.233 649 S C 1.963 176.583 174.600 0.032 0.000 1.016 649 S CA 1.146 59.378 58.200 0.054 0.000 0.974 649 S CB -0.481 62.749 63.200 0.051 0.000 0.786 649 S HN 0.453 nan 8.310 nan 0.000 0.492 650 G N 1.110 109.904 108.800 -0.010 0.000 2.464 650 G HA2 0.107 4.067 3.960 0.001 0.000 0.217 650 G HA3 0.107 4.067 3.960 0.001 0.000 0.217 650 G C 1.430 176.280 174.900 -0.084 0.000 1.138 650 G CA 0.519 45.584 45.100 -0.058 0.000 0.793 650 G HN 0.510 nan 8.290 nan 0.000 0.539 651 L N 0.583 121.775 121.223 -0.051 0.000 2.072 651 L HA 0.023 4.364 4.340 0.001 0.000 0.205 651 L C 3.359 180.262 176.870 0.054 0.000 1.079 651 L CA 0.946 55.779 54.840 -0.012 0.000 0.752 651 L CB -0.300 41.823 42.059 0.107 0.000 0.906 651 L HN 0.282 nan 8.230 nan 0.000 0.436 652 A N -0.299 122.572 122.820 0.085 0.000 1.933 652 A HA -0.263 4.058 4.320 0.001 0.000 0.218 652 A C 2.245 179.882 177.584 0.089 0.000 1.175 652 A CA 1.988 54.090 52.037 0.107 0.000 0.628 652 A CB -0.427 18.651 19.000 0.129 0.000 0.814 652 A HN 0.501 nan 8.150 nan 0.000 0.444 653 E N -0.768 119.471 120.200 0.066 0.000 2.033 653 E HA -0.029 4.322 4.350 0.001 0.000 0.189 653 E C 2.091 178.716 176.600 0.042 0.000 0.979 653 E CA 0.857 57.293 56.400 0.060 0.000 0.802 653 E CB -0.419 29.305 29.700 0.040 0.000 0.763 653 E HN 0.447 nan 8.360 nan 0.000 0.449 654 G N 0.919 109.728 108.800 0.015 0.000 2.408 654 G HA2 -0.172 3.788 3.960 0.001 0.000 0.217 654 G HA3 -0.172 3.788 3.960 0.001 0.000 0.217 654 G C 1.507 176.437 174.900 0.050 0.000 1.150 654 G CA 0.454 45.565 45.100 0.017 0.000 0.776 654 G HN 0.207 nan 8.290 nan 0.000 0.542 655 L N 0.020 121.280 121.223 0.062 0.000 2.416 655 L HA 0.230 4.571 4.340 0.001 0.000 0.216 655 L C 2.218 179.130 176.870 0.070 0.000 1.098 655 L CA 0.314 55.202 54.840 0.080 0.000 0.840 655 L CB -0.574 41.544 42.059 0.099 0.000 0.981 655 L HN 0.417 nan 8.230 nan 0.000 0.462 656 G N 0.948 109.790 108.800 0.070 0.000 2.634 656 G HA2 -0.410 3.551 3.960 0.001 0.000 0.309 656 G HA3 -0.410 3.551 3.960 0.001 0.000 0.309 656 G C 0.999 175.942 174.900 0.072 0.000 1.265 656 G CA 0.256 45.398 45.100 0.070 0.000 0.998 656 G HN 0.366 nan 8.290 nan 0.000 0.551 657 G N 0.077 108.914 108.800 0.061 0.000 2.462 657 G HA2 -0.215 3.745 3.960 0.001 0.000 0.220 657 G HA3 -0.215 3.745 3.960 0.001 0.000 0.220 657 G C 1.479 176.413 174.900 0.057 0.000 1.121 657 G CA 1.469 46.604 45.100 0.059 0.000 0.758 657 G HN 0.699 nan 8.290 nan 0.000 0.559 658 N N 0.247 118.978 118.700 0.051 0.000 2.513 658 N HA -0.055 4.685 4.740 0.001 0.000 0.187 658 N C 1.847 177.375 175.510 0.031 0.000 1.056 658 N CA 0.495 53.569 53.050 0.041 0.000 0.907 658 N CB 0.052 38.566 38.487 0.045 0.000 0.954 658 N HN 0.421 nan 8.380 nan 0.000 0.445 659 I N 1.374 121.970 120.570 0.043 0.000 3.059 659 I HA -0.186 3.984 4.170 0.001 0.000 0.270 659 I C 1.975 178.093 176.117 0.001 0.000 1.238 659 I CA 0.511 61.819 61.300 0.013 0.000 1.478 659 I CB 0.103 38.142 38.000 0.065 0.000 1.097 659 I HN 0.036 nan 8.210 nan 0.000 0.455 660 E N 0.512 120.758 120.200 0.076 0.000 2.086 660 E HA -0.332 4.019 4.350 0.001 0.000 0.200 660 E C 1.938 178.586 176.600 0.080 0.000 1.012 660 E CA 1.524 58.035 56.400 0.185 0.000 0.812 660 E CB -0.548 29.291 29.700 0.232 0.000 0.743 660 E HN 0.399 nan 8.360 nan 0.000 0.453 661 Q N 0.500 120.308 119.800 0.013 0.000 2.002 661 Q HA -0.104 4.237 4.340 0.001 0.000 0.204 661 Q C 2.567 178.471 176.000 -0.160 0.000 0.988 661 Q CA 1.783 57.553 55.803 -0.056 0.000 0.843 661 Q CB -0.547 28.167 28.738 -0.039 0.000 0.908 661 Q HN 0.433 nan 8.270 nan 0.000 0.420 662 L N -0.021 121.055 121.223 -0.244 0.000 2.051 662 L HA -0.253 4.087 4.340 0.001 0.000 0.214 662 L C 2.521 179.141 176.870 -0.417 0.000 1.076 662 L CA 1.082 55.633 54.840 -0.482 0.000 0.758 662 L CB -0.702 40.805 42.059 -0.920 0.000 0.890 662 L HN 0.052 nan 8.230 nan 0.000 0.433 663 V N -0.368 119.391 119.914 -0.259 0.000 2.307 663 V HA -0.265 3.855 4.120 0.001 0.000 0.245 663 V C 2.709 178.682 176.094 -0.202 0.000 1.045 663 V CA 1.776 64.035 62.300 -0.067 0.000 1.024 663 V CB -0.819 31.021 31.823 0.029 0.000 0.651 663 V HN 0.492 nan 8.190 nan 0.000 0.449 664 A N -0.062 122.480 122.820 -0.463 0.000 1.902 664 A HA -0.222 4.098 4.320 0.001 0.000 0.217 664 A C 2.295 179.746 177.584 -0.221 0.000 1.181 664 A CA 1.723 53.414 52.037 -0.577 0.000 0.623 664 A CB -0.493 18.124 19.000 -0.638 0.000 0.818 664 A HN 0.503 nan 8.150 nan 0.000 0.443 665 R N 0.164 120.576 120.500 -0.145 0.000 2.323 665 R HA 0.042 4.382 4.340 0.001 0.000 0.198 665 R C 0.684 176.981 176.300 -0.006 0.000 0.988 665 R CA 0.614 56.677 56.100 -0.062 0.000 1.041 665 R CB -0.134 30.135 30.300 -0.052 0.000 0.926 665 R HN 0.713 nan 8.270 nan 0.000 0.476 666 S N 0.537 116.250 115.700 0.022 0.000 2.748 666 S HA 0.179 4.649 4.470 0.001 0.000 0.299 666 S C 0.410 175.052 174.600 0.070 0.000 1.119 666 S CA -0.923 57.340 58.200 0.104 0.000 0.997 666 S CB 0.980 64.344 63.200 0.275 0.000 1.223 666 S HN 0.242 nan 8.310 nan 0.000 0.541 667 N N -0.394 118.355 118.700 0.081 0.000 2.338 667 N HA 0.150 4.890 4.740 0.001 0.000 0.251 667 N C 0.735 176.288 175.510 0.072 0.000 1.199 667 N CA -0.336 52.751 53.050 0.062 0.000 0.879 667 N CB -0.242 38.273 38.487 0.046 0.000 1.159 667 N HN 0.686 nan 8.380 nan 0.000 0.514 668 I N 0.585 121.212 120.570 0.095 0.000 2.208 668 I HA -0.224 3.946 4.170 0.001 0.000 0.245 668 I C 1.620 177.795 176.117 0.098 0.000 1.097 668 I CA 1.245 62.594 61.300 0.082 0.000 1.363 668 I CB 0.256 38.330 38.000 0.123 0.000 1.051 668 I HN 0.095 nan 8.210 nan 0.000 0.413 669 L N -0.209 121.094 121.223 0.133 0.000 2.109 669 L HA -0.167 4.173 4.340 0.001 0.000 0.207 669 L C 2.447 179.460 176.870 0.239 0.000 1.086 669 L CA 1.477 56.442 54.840 0.209 0.000 0.760 669 L CB -0.931 41.264 42.059 0.227 0.000 0.910 669 L HN 0.205 nan 8.230 nan 0.000 0.437 670 T N 0.327 114.975 114.554 0.158 0.000 2.746 670 T HA -0.141 4.209 4.350 0.001 0.000 0.267 670 T C 1.960 176.768 174.700 0.179 0.000 1.039 670 T CA 1.260 63.459 62.100 0.166 0.000 1.142 670 T CB -0.231 68.697 68.868 0.099 0.000 0.866 670 T HN 0.181 nan 8.240 nan 0.000 0.444 671 L N 0.159 121.448 121.223 0.109 0.000 2.027 671 L HA -0.004 4.337 4.340 0.001 0.000 0.206 671 L C 2.800 179.699 176.870 0.048 0.000 1.074 671 L CA 1.124 55.999 54.840 0.058 0.000 0.745 671 L CB -0.572 41.498 42.059 0.019 0.000 0.898 671 L HN 0.234 nan 8.230 nan 0.000 0.433 672 M N -1.225 118.408 119.600 0.055 0.000 2.143 672 M HA -0.317 4.163 4.480 0.001 0.000 0.258 672 M C 2.437 178.745 176.300 0.013 0.000 1.071 672 M CA 2.028 57.322 55.300 -0.010 0.000 1.088 672 M CB -0.576 32.008 32.600 -0.027 0.000 1.360 672 M HN 0.245 nan 8.290 nan 0.000 0.404 673 Y N 1.342 121.668 120.300 0.042 0.000 2.224 673 Y HA -0.250 4.300 4.550 0.001 0.000 0.289 673 Y C 2.420 178.336 175.900 0.027 0.000 1.146 673 Y CA 1.526 59.705 58.100 0.132 0.000 1.182 673 Y CB -0.366 38.261 38.460 0.279 0.000 0.983 673 Y HN 0.250 nan 8.280 nan 0.000 0.524 674 Q N -1.109 118.637 119.800 -0.090 0.000 2.123 674 Q HA -0.144 4.196 4.340 0.001 0.000 0.199 674 Q C 2.584 178.473 176.000 -0.185 0.000 0.966 674 Q CA 1.429 57.116 55.803 -0.193 0.000 0.845 674 Q CB -1.181 27.495 28.738 -0.102 0.000 0.907 674 Q HN 0.535 nan 8.270 nan 0.000 0.439 675 C N 0.654 119.860 119.300 -0.158 0.000 2.425 675 C HA -0.074 4.386 4.460 0.001 0.000 0.277 675 C C 2.628 177.447 174.990 -0.285 0.000 1.280 675 C CA 0.628 59.529 59.018 -0.194 0.000 1.744 675 C CB -0.939 26.692 27.740 -0.181 0.000 1.989 675 C HN 0.500 nan 8.230 nan 0.000 0.491 676 M N 0.038 119.433 119.600 -0.341 0.000 2.557 676 M HA -0.108 4.372 4.480 0.001 0.000 0.259 676 M C 1.808 177.944 176.300 -0.272 0.000 1.086 676 M CA 1.297 56.308 55.300 -0.482 0.000 1.096 676 M CB -0.426 31.913 32.600 -0.436 0.000 1.424 676 M HN 0.527 nan 8.290 nan 0.000 0.488 677 Q N -0.442 119.218 119.800 -0.233 0.000 2.247 677 Q HA 0.090 4.430 4.340 0.001 0.000 0.211 677 Q C 0.180 176.088 176.000 -0.153 0.000 0.861 677 Q CA -0.234 55.463 55.803 -0.177 0.000 0.949 677 Q CB 0.590 29.191 28.738 -0.228 0.000 1.115 677 Q HN 0.360 nan 8.270 nan 0.000 0.507 678 D N 1.459 121.758 120.400 -0.169 0.000 2.423 678 D HA -0.058 4.582 4.640 0.001 0.000 0.238 678 D C 0.568 176.787 176.300 -0.136 0.000 1.142 678 D CA 0.476 54.391 54.000 -0.142 0.000 0.884 678 D CB 1.041 41.752 40.800 -0.147 0.000 1.199 678 D HN 0.053 nan 8.370 nan 0.000 0.438 679 K N 2.286 122.620 120.400 -0.110 0.000 2.147 679 K HA -0.087 4.233 4.320 0.001 0.000 0.205 679 K C 1.231 177.750 176.600 -0.134 0.000 1.049 679 K CA 0.592 56.816 56.287 -0.106 0.000 0.936 679 K CB 0.003 32.462 32.500 -0.068 0.000 0.722 679 K HN 0.440 nan 8.250 nan 0.000 0.446 680 M N 2.565 122.092 119.600 -0.122 0.000 2.156 680 M HA 0.062 4.543 4.480 0.001 0.000 0.345 680 M C -2.125 174.083 176.300 -0.154 0.000 1.398 680 M CA -2.257 52.972 55.300 -0.118 0.000 1.148 680 M CB 0.973 33.520 32.600 -0.090 0.000 1.663 680 M HN -0.159 nan 8.290 nan 0.000 0.464 681 P HA -0.216 nan 4.420 nan 0.000 0.215 681 P C 0.446 177.684 177.300 -0.104 0.000 1.163 681 P CA 1.659 64.637 63.100 -0.203 0.000 0.894 681 P CB 0.161 31.768 31.700 -0.156 0.000 0.791 682 E N -0.902 119.253 120.200 -0.075 0.000 2.147 682 E HA -0.154 4.196 4.350 0.001 0.000 0.199 682 E C 1.920 178.463 176.600 -0.095 0.000 1.005 682 E CA 1.128 57.487 56.400 -0.069 0.000 0.810 682 E CB -1.058 28.598 29.700 -0.073 0.000 0.736 682 E HN 0.076 nan 8.360 nan 0.000 0.460 683 V N 0.559 120.401 119.914 -0.120 0.000 2.379 683 V HA -0.206 3.914 4.120 0.001 0.000 0.245 683 V C 2.137 178.114 176.094 -0.194 0.000 1.044 683 V CA 1.750 63.964 62.300 -0.144 0.000 1.036 683 V CB -0.394 31.344 31.823 -0.142 0.000 0.664 683 V HN 0.206 nan 8.190 nan 0.000 0.453 684 R N -0.116 120.253 120.500 -0.218 0.000 2.070 684 R HA -0.210 4.130 4.340 0.001 0.000 0.233 684 R C 2.425 178.573 176.300 -0.254 0.000 1.137 684 R CA 1.749 57.637 56.100 -0.354 0.000 0.945 684 R CB -0.564 29.605 30.300 -0.217 0.000 0.845 684 R HN 0.554 nan 8.270 nan 0.000 0.430 685 Q N 0.799 120.586 119.800 -0.023 0.000 2.096 685 Q HA -0.214 4.126 4.340 0.001 0.000 0.208 685 Q C 1.981 178.004 176.000 0.040 0.000 0.993 685 Q CA 2.362 58.216 55.803 0.085 0.000 0.862 685 Q CB 0.014 28.778 28.738 0.043 0.000 0.915 685 Q HN 0.251 nan 8.270 nan 0.000 0.416 686 S N 0.508 116.181 115.700 -0.044 0.000 2.348 686 S HA -0.157 4.314 4.470 0.001 0.000 0.221 686 S C 2.109 176.675 174.600 -0.057 0.000 1.033 686 S CA 1.432 59.603 58.200 -0.048 0.000 1.010 686 S CB -0.366 62.788 63.200 -0.078 0.000 0.891 686 S HN 0.646 nan 8.310 nan 0.000 0.442 687 S N 1.677 117.278 115.700 -0.165 0.000 2.370 687 S HA -0.108 4.363 4.470 0.001 0.000 0.226 687 S C 1.664 176.175 174.600 -0.148 0.000 1.033 687 S CA 1.238 59.307 58.200 -0.219 0.000 1.011 687 S CB -1.088 61.892 63.200 -0.367 0.000 0.852 687 S HN 0.523 nan 8.310 nan 0.000 0.457 688 F N 2.400 122.335 119.950 -0.026 0.000 2.171 688 F HA -0.035 4.493 4.527 0.001 0.000 0.300 688 F C 2.948 178.824 175.800 0.127 0.000 1.090 688 F CA 0.553 58.559 58.000 0.010 0.000 1.293 688 F CB -0.513 38.505 39.000 0.030 0.000 1.013 688 F HN 0.304 nan 8.300 nan 0.000 0.486 689 A N 0.201 123.218 122.820 0.328 0.000 1.877 689 A HA -0.206 4.114 4.320 0.001 0.000 0.216 689 A C 2.027 179.813 177.584 0.337 0.000 1.186 689 A CA 1.559 53.814 52.037 0.363 0.000 0.620 689 A CB -1.024 18.062 19.000 0.143 0.000 0.822 689 A HN 0.357 nan 8.150 nan 0.000 0.443 690 L N -0.650 120.672 121.223 0.165 0.000 2.042 690 L HA -0.137 4.204 4.340 0.001 0.000 0.210 690 L C 2.230 179.169 176.870 0.115 0.000 1.076 690 L CA 2.080 56.989 54.840 0.116 0.000 0.749 690 L CB -0.638 41.443 42.059 0.036 0.000 0.893 690 L HN 0.371 nan 8.230 nan 0.000 0.432 691 L N -0.026 121.244 121.223 0.077 0.000 1.989 691 L HA -0.065 4.275 4.340 0.001 0.000 0.211 691 L C 2.364 179.248 176.870 0.022 0.000 1.071 691 L CA 2.283 57.135 54.840 0.020 0.000 0.749 691 L CB -1.555 40.491 42.059 -0.023 0.000 0.890 691 L HN 0.305 nan 8.230 nan 0.000 0.431 692 G N -1.357 107.430 108.800 -0.022 0.000 2.422 692 G HA2 -0.262 3.698 3.960 0.001 0.000 0.218 692 G HA3 -0.262 3.698 3.960 0.001 0.000 0.218 692 G C 1.288 176.127 174.900 -0.101 0.000 1.146 692 G CA 0.840 45.691 45.100 -0.416 0.000 0.769 692 G HN 0.451 nan 8.290 nan 0.000 0.547 693 D N 0.218 120.752 120.400 0.223 0.000 2.178 693 D HA -0.010 4.630 4.640 0.001 0.000 0.202 693 D C 2.574 178.964 176.300 0.150 0.000 0.974 693 D CA 0.386 54.530 54.000 0.240 0.000 0.841 693 D CB -0.014 40.929 40.800 0.238 0.000 0.953 693 D HN 0.296 nan 8.370 nan 0.000 0.478 694 L N 0.308 121.612 121.223 0.135 0.000 2.162 694 L HA -0.067 4.273 4.340 0.001 0.000 0.205 694 L C 2.386 179.360 176.870 0.172 0.000 1.086 694 L CA 0.801 55.733 54.840 0.153 0.000 0.778 694 L CB -0.410 41.745 42.059 0.160 0.000 0.928 694 L HN -0.032 nan 8.230 nan 0.000 0.446 695 T N -0.323 114.321 114.554 0.149 0.000 2.737 695 T HA -0.286 4.064 4.350 0.001 0.000 0.269 695 T C 1.878 176.623 174.700 0.076 0.000 1.040 695 T CA 1.738 63.946 62.100 0.181 0.000 1.142 695 T CB -0.090 68.779 68.868 0.002 0.000 0.861 695 T HN 0.208 nan 8.240 nan 0.000 0.456 696 K N 0.160 120.579 120.400 0.031 0.000 2.314 696 K HA 0.283 4.604 4.320 0.001 0.000 0.198 696 K C 2.078 178.717 176.600 0.066 0.000 1.045 696 K CA 0.638 56.936 56.287 0.018 0.000 0.988 696 K CB 0.007 32.529 32.500 0.036 0.000 0.783 696 K HN 0.261 nan 8.250 nan 0.000 0.484 697 A N -0.061 122.820 122.820 0.103 0.000 1.993 697 A HA 0.111 4.432 4.320 0.001 0.000 0.207 697 A C 0.785 178.434 177.584 0.108 0.000 1.224 697 A CA 0.532 52.631 52.037 0.103 0.000 0.749 697 A CB 0.187 19.255 19.000 0.113 0.000 0.884 697 A HN 0.485 nan 8.150 nan 0.000 0.467 698 C N -3.442 115.942 119.300 0.139 0.000 3.392 698 C HA 0.557 5.018 4.460 0.001 0.000 0.217 698 C C 0.752 175.815 174.990 0.123 0.000 1.222 698 C CA -0.994 58.090 59.018 0.109 0.000 1.200 698 C CB -1.796 26.049 27.740 0.175 0.000 1.818 698 C HN 0.336 nan 8.230 nan 0.000 0.586 699 F N 2.722 122.657 119.950 -0.025 0.000 2.269 699 F HA -0.083 4.444 4.527 0.001 0.000 0.301 699 F C 2.285 178.051 175.800 -0.057 0.000 1.082 699 F CA 2.126 60.114 58.000 -0.019 0.000 1.360 699 F CB -0.021 38.967 39.000 -0.021 0.000 1.041 699 F HN 0.573 nan 8.300 nan 0.000 0.512 700 Q N -0.500 119.210 119.800 -0.151 0.000 2.103 700 Q HA -0.286 4.054 4.340 0.001 0.000 0.213 700 Q C 2.064 177.863 176.000 -0.336 0.000 1.008 700 Q CA 2.455 58.069 55.803 -0.315 0.000 0.879 700 Q CB -0.850 27.610 28.738 -0.464 0.000 0.946 700 Q HN 0.491 nan 8.270 nan 0.000 0.413 701 H N -1.152 117.868 119.070 -0.083 0.000 2.470 701 H HA 0.083 4.640 4.556 0.001 0.000 0.289 701 H C 2.119 177.385 175.328 -0.104 0.000 1.033 701 H CA 1.080 57.087 56.048 -0.069 0.000 1.331 701 H CB -0.024 29.736 29.762 -0.004 0.000 1.414 701 H HN 0.101 nan 8.280 nan 0.000 0.545 702 V N 1.177 121.060 119.914 -0.052 0.000 2.346 702 V HA -0.164 3.957 4.120 0.001 0.000 0.244 702 V C 2.602 178.506 176.094 -0.316 0.000 1.037 702 V CA 1.271 63.534 62.300 -0.062 0.000 1.029 702 V CB -0.325 31.565 31.823 0.111 0.000 0.663 702 V HN 0.247 nan 8.190 nan 0.000 0.454 703 K N 0.321 120.257 120.400 -0.773 0.000 2.052 703 K HA -0.257 4.063 4.320 0.001 0.000 0.215 703 K C -0.145 176.238 176.600 -0.362 0.000 1.053 703 K CA 2.449 58.264 56.287 -0.788 0.000 0.934 703 K CB -1.270 30.692 32.500 -0.898 0.000 0.717 703 K HN 0.384 nan 8.250 nan 0.000 0.450 704 P HA -0.159 nan 4.420 nan 0.000 0.219 704 P C 0.703 177.842 177.300 -0.269 0.000 1.144 704 P CA 1.163 64.140 63.100 -0.205 0.000 0.806 704 P CB 0.021 31.628 31.700 -0.154 0.000 0.771 705 C N -2.197 116.881 119.300 -0.371 0.000 2.791 705 C HA 0.176 4.636 4.460 0.001 0.000 0.270 705 C C 2.356 176.933 174.990 -0.689 0.000 1.257 705 C CA -0.318 58.301 59.018 -0.665 0.000 1.699 705 C CB -1.439 25.699 27.740 -1.003 0.000 1.904 705 C HN 0.169 nan 8.230 nan 0.000 0.603 706 I N 2.177 122.526 120.570 -0.368 0.000 2.208 706 I HA -0.208 3.962 4.170 0.001 0.000 0.245 706 I C 2.722 178.620 176.117 -0.365 0.000 1.097 706 I CA 1.970 63.105 61.300 -0.274 0.000 1.363 706 I CB -1.485 36.405 38.000 -0.184 0.000 1.051 706 I HN 0.311 nan 8.210 nan 0.000 0.413 707 A N 0.100 122.772 122.820 -0.247 0.000 1.972 707 A HA -0.212 4.109 4.320 0.001 0.000 0.219 707 A C 2.045 179.566 177.584 -0.105 0.000 1.169 707 A CA 1.858 53.853 52.037 -0.070 0.000 0.635 707 A CB -0.479 18.544 19.000 0.039 0.000 0.810 707 A HN 0.375 nan 8.150 nan 0.000 0.446 708 D N -1.109 119.123 120.400 -0.279 0.000 2.137 708 D HA -0.041 4.599 4.640 0.001 0.000 0.202 708 D C 1.571 177.850 176.300 -0.036 0.000 0.970 708 D CA 0.997 54.821 54.000 -0.295 0.000 0.837 708 D CB -0.258 40.118 40.800 -0.707 0.000 0.981 708 D HN 0.408 nan 8.370 nan 0.000 0.475 709 F N 0.455 120.383 119.950 -0.038 0.000 2.234 709 F HA 0.016 4.543 4.527 0.000 0.000 0.296 709 F C 2.320 178.162 175.800 0.071 0.000 1.089 709 F CA 0.247 58.294 58.000 0.077 0.000 1.343 709 F CB -0.868 38.170 39.000 0.063 0.000 1.040 709 F HN -0.107 nan 8.300 nan 0.000 0.498 710 M N 0.530 120.215 119.600 0.141 0.000 2.080 710 M HA -0.117 4.363 4.480 0.001 0.000 0.260 710 M C -0.860 175.508 176.300 0.113 0.000 1.068 710 M CA 2.112 57.444 55.300 0.053 0.000 1.109 710 M CB -1.661 30.859 32.600 -0.134 0.000 1.342 710 M HN -0.162 nan 8.290 nan 0.000 0.405 711 P HA -0.112 nan 4.420 nan 0.000 0.216 711 P C 1.533 178.927 177.300 0.157 0.000 1.150 711 P CA 1.453 64.641 63.100 0.148 0.000 0.837 711 P CB -0.205 31.586 31.700 0.153 0.000 0.786 712 I N -1.511 119.190 120.570 0.218 0.000 2.202 712 I HA -0.204 3.966 4.170 0.001 0.000 0.242 712 I C 2.286 178.518 176.117 0.192 0.000 1.091 712 I CA 1.146 62.591 61.300 0.243 0.000 1.368 712 I CB -0.687 37.521 38.000 0.347 0.000 1.058 712 I HN -0.124 nan 8.210 nan 0.000 0.410 713 L N 0.661 121.966 121.223 0.137 0.000 2.051 713 L HA -0.225 4.115 4.340 0.001 0.000 0.214 713 L C 2.621 179.446 176.870 -0.075 0.000 1.076 713 L CA 1.810 56.593 54.840 -0.095 0.000 0.758 713 L CB -1.055 40.958 42.059 -0.077 0.000 0.890 713 L HN 0.351 nan 8.230 nan 0.000 0.433 714 G N -1.442 107.370 108.800 0.021 0.000 2.402 714 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 714 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 714 G C 1.547 176.474 174.900 0.046 0.000 1.162 714 G CA 1.167 46.289 45.100 0.036 0.000 0.777 714 G HN 0.299 nan 8.290 nan 0.000 0.539 715 T N 1.369 115.965 114.554 0.071 0.000 2.684 715 T HA -0.131 4.220 4.350 0.001 0.000 0.267 715 T C 2.088 176.835 174.700 0.079 0.000 1.036 715 T CA 1.140 63.289 62.100 0.083 0.000 1.148 715 T CB -0.232 68.695 68.868 0.098 0.000 0.863 715 T HN 0.229 nan 8.240 nan 0.000 0.436 716 N N 1.171 119.906 118.700 0.058 0.000 2.521 716 N HA 0.076 4.816 4.740 0.001 0.000 0.188 716 N C 0.198 175.711 175.510 0.006 0.000 1.146 716 N CA 0.168 53.249 53.050 0.051 0.000 0.893 716 N CB -0.144 38.384 38.487 0.068 0.000 0.975 716 N HN 0.421 nan 8.380 nan 0.000 0.451 717 L N 1.755 122.974 121.223 -0.007 0.000 2.511 717 L HA 0.092 4.432 4.340 0.001 0.000 0.239 717 L C 0.159 177.051 176.870 0.036 0.000 1.400 717 L CA -0.192 54.645 54.840 -0.005 0.000 1.226 717 L CB -0.828 41.221 42.059 -0.016 0.000 1.475 717 L HN -0.024 nan 8.230 nan 0.000 0.428 718 N N 1.590 120.339 118.700 0.082 0.000 2.504 718 N HA 0.293 5.033 4.740 0.001 0.000 0.280 718 N C -2.025 173.539 175.510 0.090 0.000 1.052 718 N CA -1.906 51.203 53.050 0.098 0.000 0.887 718 N CB 2.041 40.632 38.487 0.174 0.000 1.323 718 N HN -0.148 nan 8.380 nan 0.000 0.509 719 P HA 0.045 nan 4.420 nan 0.000 0.242 719 P C 0.903 178.139 177.300 -0.107 0.000 1.197 719 P CA 0.680 63.767 63.100 -0.022 0.000 0.765 719 P CB 0.095 31.775 31.700 -0.034 0.000 0.936 720 E N 0.478 120.539 120.200 -0.232 0.000 2.160 720 E HA -0.159 4.191 4.350 0.001 0.000 0.195 720 E C 0.556 176.767 176.600 -0.648 0.000 0.991 720 E CA 0.949 57.030 56.400 -0.532 0.000 0.810 720 E CB -1.314 27.880 29.700 -0.843 0.000 0.742 720 E HN 0.446 nan 8.360 nan 0.000 0.466 721 F N -0.711 119.243 119.950 0.007 0.000 2.389 721 F HA 0.447 4.974 4.527 0.000 0.000 0.327 721 F C 1.134 176.940 175.800 0.010 0.000 1.204 721 F CA -0.856 57.151 58.000 0.012 0.000 1.209 721 F CB 0.389 39.404 39.000 0.026 0.000 1.460 721 F HN -0.048 nan 8.300 nan 0.000 0.537 722 I N -0.056 120.569 120.570 0.092 0.000 2.229 722 I HA -0.384 3.787 4.170 0.001 0.000 0.250 722 I C 2.507 178.665 176.117 0.068 0.000 1.096 722 I CA 1.608 62.940 61.300 0.054 0.000 1.358 722 I CB -0.093 37.914 38.000 0.012 0.000 1.047 722 I HN 0.517 nan 8.210 nan 0.000 0.422 723 S N -0.604 115.150 115.700 0.089 0.000 2.446 723 S HA -0.042 4.428 4.470 0.001 0.000 0.225 723 S C 1.919 176.580 174.600 0.102 0.000 1.016 723 S CA 0.698 58.941 58.200 0.072 0.000 0.943 723 S CB 0.047 63.281 63.200 0.056 0.000 0.786 723 S HN 0.233 nan 8.310 nan 0.000 0.508 724 V N 0.665 120.667 119.914 0.147 0.000 2.346 724 V HA -0.117 4.004 4.120 0.001 0.000 0.244 724 V C 2.641 178.807 176.094 0.120 0.000 1.037 724 V CA 1.587 63.998 62.300 0.184 0.000 1.029 724 V CB -1.005 30.927 31.823 0.182 0.000 0.663 724 V HN 0.778 nan 8.190 nan 0.000 0.454 725 C N 1.102 120.465 119.300 0.104 0.000 2.413 725 C HA -0.185 4.276 4.460 0.001 0.000 0.277 725 C C 2.744 177.742 174.990 0.013 0.000 1.265 725 C CA 1.715 60.756 59.018 0.038 0.000 1.752 725 C CB -1.548 26.231 27.740 0.064 0.000 1.998 725 C HN 0.719 nan 8.230 nan 0.000 0.489 726 N N 1.012 119.736 118.700 0.041 0.000 2.058 726 N HA -0.138 4.602 4.740 0.001 0.000 0.191 726 N C 1.325 176.888 175.510 0.088 0.000 1.037 726 N CA 1.987 55.063 53.050 0.044 0.000 0.848 726 N CB -0.624 37.878 38.487 0.026 0.000 1.021 726 N HN 0.549 nan 8.380 nan 0.000 0.422 727 N N 1.058 119.824 118.700 0.110 0.000 2.223 727 N HA -0.046 4.695 4.740 0.001 0.000 0.185 727 N C 1.632 177.228 175.510 0.142 0.000 1.016 727 N CA 1.112 54.292 53.050 0.217 0.000 0.863 727 N CB -0.581 38.056 38.487 0.251 0.000 0.983 727 N HN 0.352 nan 8.380 nan 0.000 0.429 728 A N 0.484 123.217 122.820 -0.144 0.000 1.845 728 A HA -0.165 4.155 4.320 0.001 0.000 0.215 728 A C 2.326 179.799 177.584 -0.185 0.000 1.195 728 A CA 2.259 54.020 52.037 -0.459 0.000 0.616 728 A CB -1.358 17.272 19.000 -0.615 0.000 0.832 728 A HN 0.299 nan 8.150 nan 0.000 0.443 729 T N -1.339 113.167 114.554 -0.081 0.000 2.592 729 T HA -0.289 4.062 4.350 0.001 0.000 0.267 729 T C 1.479 176.199 174.700 0.035 0.000 1.060 729 T CA 1.978 64.067 62.100 -0.019 0.000 1.167 729 T CB -0.545 68.332 68.868 0.014 0.000 0.863 729 T HN 0.740 nan 8.240 nan 0.000 0.431 730 W N 2.101 123.362 121.300 -0.064 0.000 2.342 730 W HA -0.089 4.571 4.660 0.000 0.000 0.297 730 W C 2.515 179.014 176.519 -0.033 0.000 1.213 730 W CA 1.099 58.419 57.345 -0.041 0.000 1.251 730 W CB -0.609 28.835 29.460 -0.026 0.000 1.136 730 W HN 0.285 nan 8.180 nan 0.000 0.526 731 A N 0.172 122.827 122.820 -0.275 0.000 1.897 731 A HA -0.132 4.189 4.320 0.001 0.000 0.215 731 A C 2.031 179.413 177.584 -0.337 0.000 1.181 731 A CA 1.775 53.533 52.037 -0.465 0.000 0.620 731 A CB -0.931 17.960 19.000 -0.182 0.000 0.821 731 A HN 0.360 nan 8.150 nan 0.000 0.443 732 I N -0.086 120.359 120.570 -0.208 0.000 2.127 732 I HA -0.260 3.910 4.170 0.001 0.000 0.241 732 I C 2.718 178.745 176.117 -0.151 0.000 1.075 732 I CA 1.380 62.595 61.300 -0.140 0.000 1.334 732 I CB -0.620 37.325 38.000 -0.092 0.000 1.040 732 I HN 0.393 nan 8.210 nan 0.000 0.405 733 G N -0.018 108.684 108.800 -0.164 0.000 2.422 733 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 733 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 733 G C 1.563 176.338 174.900 -0.208 0.000 1.146 733 G CA 0.512 45.528 45.100 -0.139 0.000 0.769 733 G HN 0.308 nan 8.290 nan 0.000 0.547 734 E N 0.198 120.180 120.200 -0.364 0.000 2.208 734 E HA 0.011 4.362 4.350 0.001 0.000 0.193 734 E C 2.562 178.961 176.600 -0.335 0.000 0.988 734 E CA 0.234 56.399 56.400 -0.392 0.000 0.828 734 E CB -0.022 29.290 29.700 -0.647 0.000 0.763 734 E HN 0.526 nan 8.360 nan 0.000 0.478 735 I N 1.057 121.457 120.570 -0.284 0.000 2.252 735 I HA -0.244 3.927 4.170 0.001 0.000 0.245 735 I C 2.289 178.272 176.117 -0.223 0.000 1.102 735 I CA 0.642 61.798 61.300 -0.240 0.000 1.385 735 I CB -0.204 37.739 38.000 -0.094 0.000 1.064 735 I HN -0.032 nan 8.210 nan 0.000 0.414 736 S N 1.308 116.925 115.700 -0.139 0.000 2.392 736 S HA -0.208 4.263 4.470 0.001 0.000 0.225 736 S C 2.041 176.582 174.600 -0.099 0.000 1.041 736 S CA 1.357 59.514 58.200 -0.071 0.000 1.100 736 S CB -0.455 62.728 63.200 -0.030 0.000 1.029 736 S HN 0.247 nan 8.310 nan 0.000 0.424 737 I N 1.623 122.116 120.570 -0.129 0.000 2.182 737 I HA -0.250 3.920 4.170 0.001 0.000 0.248 737 I C 2.596 178.608 176.117 -0.175 0.000 1.073 737 I CA 1.720 62.942 61.300 -0.130 0.000 1.335 737 I CB -1.437 36.471 38.000 -0.153 0.000 1.031 737 I HN 0.312 nan 8.210 nan 0.000 0.420 738 Q N -0.455 119.139 119.800 -0.345 0.000 2.172 738 Q HA -0.001 4.339 4.340 0.001 0.000 0.200 738 Q C 2.231 178.014 176.000 -0.362 0.000 0.964 738 Q CA 1.241 56.699 55.803 -0.575 0.000 0.855 738 Q CB 0.029 27.938 28.738 -1.382 0.000 0.918 738 Q HN 0.470 nan 8.270 nan 0.000 0.444 739 M N -1.858 117.627 119.600 -0.192 0.000 2.466 739 M HA 0.191 4.671 4.480 0.001 0.000 0.265 739 M C 1.212 177.552 176.300 0.066 0.000 1.122 739 M CA 0.822 56.155 55.300 0.055 0.000 1.157 739 M CB -0.067 32.617 32.600 0.140 0.000 1.352 739 M HN 0.268 nan 8.290 nan 0.000 0.464 740 G N 2.298 111.123 108.800 0.041 0.000 2.547 740 G HA2 -0.339 3.621 3.960 0.001 0.000 0.271 740 G HA3 -0.339 3.621 3.960 0.001 0.000 0.271 740 G C 0.486 175.429 174.900 0.073 0.000 1.209 740 G CA 0.186 45.326 45.100 0.067 0.000 0.959 740 G HN 0.562 nan 8.290 nan 0.000 0.563 741 I N -0.889 119.717 120.570 0.060 0.000 2.623 741 I HA -0.033 4.137 4.170 0.001 0.000 0.261 741 I C 2.072 178.223 176.117 0.057 0.000 1.204 741 I CA 2.502 63.831 61.300 0.048 0.000 1.444 741 I CB -0.538 37.479 38.000 0.029 0.000 1.094 741 I HN 0.580 nan 8.210 nan 0.000 0.451 742 E N 0.844 121.093 120.200 0.081 0.000 2.338 742 E HA -0.185 4.165 4.350 0.001 0.000 0.197 742 E C 1.990 178.681 176.600 0.151 0.000 1.007 742 E CA 0.975 57.437 56.400 0.103 0.000 0.849 742 E CB -0.165 29.615 29.700 0.134 0.000 0.774 742 E HN 0.472 nan 8.360 nan 0.000 0.506 743 M N 1.176 120.875 119.600 0.164 0.000 2.279 743 M HA -0.194 4.287 4.480 0.001 0.000 0.264 743 M C 2.089 178.489 176.300 0.168 0.000 1.062 743 M CA 1.335 56.776 55.300 0.234 0.000 1.099 743 M CB -0.162 32.528 32.600 0.150 0.000 1.394 743 M HN -0.046 nan 8.290 nan 0.000 0.426 744 Q N 0.531 120.370 119.800 0.065 0.000 2.084 744 Q HA -0.230 4.110 4.340 0.001 0.000 0.215 744 Q C -0.852 175.113 176.000 -0.059 0.000 1.020 744 Q CA 2.948 58.755 55.803 0.007 0.000 0.887 744 Q CB -1.924 26.809 28.738 -0.009 0.000 0.975 744 Q HN 0.333 nan 8.270 nan 0.000 0.413 745 P HA -0.126 nan 4.420 nan 0.000 0.221 745 P C 0.456 177.562 177.300 -0.324 0.000 1.145 745 P CA 1.347 64.240 63.100 -0.345 0.000 0.795 745 P CB -0.343 30.979 31.700 -0.629 0.000 0.775 746 Y N -1.984 118.333 120.300 0.029 0.000 2.497 746 Y HA 0.145 4.696 4.550 0.001 0.000 0.265 746 Y C 2.253 178.173 175.900 0.033 0.000 1.111 746 Y CA -0.182 57.938 58.100 0.034 0.000 1.288 746 Y CB -0.433 38.051 38.460 0.041 0.000 1.082 746 Y HN -0.163 nan 8.280 nan 0.000 0.536 747 I N 0.962 121.620 120.570 0.146 0.000 2.208 747 I HA -0.217 3.954 4.170 0.001 0.000 0.245 747 I C -0.664 175.504 176.117 0.086 0.000 1.097 747 I CA 1.197 62.559 61.300 0.102 0.000 1.363 747 I CB -1.517 36.528 38.000 0.075 0.000 1.051 747 I HN 0.155 nan 8.210 nan 0.000 0.413 748 P HA -0.218 nan 4.420 nan 0.000 0.216 748 P C 1.794 179.142 177.300 0.079 0.000 1.154 748 P CA 1.710 64.846 63.100 0.060 0.000 0.865 748 P CB -0.230 31.489 31.700 0.032 0.000 0.789 749 M N -3.440 116.216 119.600 0.093 0.000 2.686 749 M HA 0.057 4.538 4.480 0.001 0.000 0.246 749 M C 0.754 177.113 176.300 0.098 0.000 1.096 749 M CA 1.369 56.729 55.300 0.100 0.000 1.076 749 M CB -0.260 32.411 32.600 0.118 0.000 1.504 749 M HN -0.215 nan 8.290 nan 0.000 0.524 750 V N -0.361 119.609 119.914 0.093 0.000 3.103 750 V HA -0.019 4.101 4.120 0.001 0.000 0.229 750 V C 1.856 177.987 176.094 0.062 0.000 1.304 750 V CA 0.262 62.602 62.300 0.067 0.000 1.298 750 V CB 0.365 32.219 31.823 0.053 0.000 1.093 750 V HN 0.453 nan 8.190 nan 0.000 0.489 751 L N 0.563 121.829 121.223 0.072 0.000 2.013 751 L HA -0.238 4.102 4.340 0.001 0.000 0.212 751 L C 2.425 179.347 176.870 0.086 0.000 1.073 751 L CA 2.751 57.627 54.840 0.060 0.000 0.753 751 L CB -0.994 41.109 42.059 0.074 0.000 0.890 751 L HN 0.574 nan 8.230 nan 0.000 0.432 752 H N -0.652 118.440 119.070 0.037 0.000 2.289 752 H HA -0.237 4.319 4.556 0.001 0.000 0.296 752 H C 2.122 177.471 175.328 0.035 0.000 1.091 752 H CA 2.421 58.495 56.048 0.043 0.000 1.274 752 H CB 0.091 29.877 29.762 0.040 0.000 1.364 752 H HN 0.537 nan 8.280 nan 0.000 0.490 753 Q N 0.225 119.992 119.800 -0.054 0.000 2.124 753 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 753 Q C 2.838 178.783 176.000 -0.092 0.000 0.977 753 Q CA 1.409 57.151 55.803 -0.102 0.000 0.850 753 Q CB 0.069 28.807 28.738 0.001 0.000 0.901 753 Q HN 0.486 nan 8.270 nan 0.000 0.429 754 L N -0.401 120.789 121.223 -0.056 0.000 2.093 754 L HA -0.159 4.181 4.340 0.001 0.000 0.208 754 L C 2.179 179.012 176.870 -0.062 0.000 1.085 754 L CA 0.711 55.516 54.840 -0.057 0.000 0.755 754 L CB -0.305 41.717 42.059 -0.061 0.000 0.904 754 L HN 0.131 nan 8.230 nan 0.000 0.435 755 V N -0.424 119.457 119.914 -0.054 0.000 2.515 755 V HA -0.247 3.873 4.120 0.001 0.000 0.250 755 V C 2.363 178.444 176.094 -0.022 0.000 1.058 755 V CA 1.533 63.838 62.300 0.008 0.000 1.064 755 V CB -0.387 31.501 31.823 0.108 0.000 0.675 755 V HN 0.462 nan 8.190 nan 0.000 0.461 756 E N 0.487 120.621 120.200 -0.111 0.000 2.072 756 E HA -0.206 4.144 4.350 0.001 0.000 0.191 756 E C 2.134 178.697 176.600 -0.061 0.000 0.985 756 E CA 1.773 58.102 56.400 -0.118 0.000 0.801 756 E CB -0.081 29.494 29.700 -0.209 0.000 0.750 756 E HN 0.818 nan 8.360 nan 0.000 0.452 757 I N -1.735 118.803 120.570 -0.053 0.000 2.876 757 I HA 0.011 4.181 4.170 0.001 0.000 0.264 757 I C 2.249 178.352 176.117 -0.022 0.000 1.204 757 I CA 0.557 61.836 61.300 -0.035 0.000 1.485 757 I CB -0.035 37.945 38.000 -0.033 0.000 1.103 757 I HN 0.022 nan 8.210 nan 0.000 0.446 758 I N 1.544 122.108 120.570 -0.011 0.000 2.617 758 I HA -0.131 4.039 4.170 0.001 0.000 0.256 758 I C 1.789 177.915 176.117 0.016 0.000 1.167 758 I CA 1.036 62.341 61.300 0.009 0.000 1.469 758 I CB -0.195 37.829 38.000 0.040 0.000 1.098 758 I HN 0.292 nan 8.210 nan 0.000 0.436 759 N N 0.989 119.697 118.700 0.014 0.000 2.422 759 N HA -0.026 4.714 4.740 0.001 0.000 0.181 759 N C 0.571 176.077 175.510 -0.008 0.000 1.080 759 N CA 0.087 53.142 53.050 0.008 0.000 0.893 759 N CB 0.057 38.553 38.487 0.015 0.000 0.973 759 N HN 0.299 nan 8.380 nan 0.000 0.456 760 R N 2.254 122.745 120.500 -0.015 0.000 2.442 760 R HA 0.153 4.494 4.340 0.001 0.000 0.291 760 R C -2.406 173.882 176.300 -0.020 0.000 1.069 760 R CA -1.046 55.042 56.100 -0.020 0.000 1.022 760 R CB 0.482 30.766 30.300 -0.026 0.000 0.976 760 R HN -0.101 nan 8.270 nan 0.000 0.443 761 P HA 0.120 nan 4.420 nan 0.000 0.274 761 P C -1.134 176.153 177.300 -0.022 0.000 1.237 761 P CA -0.268 62.821 63.100 -0.019 0.000 0.793 761 P CB 0.364 32.055 31.700 -0.015 0.000 0.977 762 N N -1.465 117.221 118.700 -0.022 0.000 2.642 762 N HA -0.116 4.624 4.740 0.001 0.000 0.269 762 N C -1.032 174.461 175.510 -0.029 0.000 1.073 762 N CA 0.661 53.696 53.050 -0.025 0.000 0.748 762 N CB -1.230 37.242 38.487 -0.025 0.000 0.894 762 N HN 0.366 nan 8.380 nan 0.000 0.548 763 T N 0.748 115.284 114.554 -0.029 0.000 2.848 763 T HA 0.440 4.790 4.350 0.001 0.000 0.285 763 T C -2.330 172.350 174.700 -0.032 0.000 0.995 763 T CA -1.082 61.000 62.100 -0.030 0.000 0.970 763 T CB 1.866 70.717 68.868 -0.029 0.000 0.976 763 T HN -0.089 nan 8.240 nan 0.000 0.441 764 P HA 0.196 nan 4.420 nan 0.000 0.266 764 P C 1.036 178.313 177.300 -0.039 0.000 1.193 764 P CA -0.000 63.079 63.100 -0.034 0.000 0.770 764 P CB 0.450 32.131 31.700 -0.032 0.000 0.836 765 K N 1.560 121.934 120.400 -0.044 0.000 2.074 765 K HA -0.190 4.130 4.320 0.001 0.000 0.209 765 K C 1.939 178.505 176.600 -0.057 0.000 1.048 765 K CA 2.692 58.947 56.287 -0.052 0.000 0.926 765 K CB -1.998 30.470 32.500 -0.053 0.000 0.713 765 K HN 0.597 nan 8.250 nan 0.000 0.444 766 T N 0.844 115.366 114.554 -0.053 0.000 2.708 766 T HA -0.097 4.254 4.350 0.001 0.000 0.266 766 T C 1.930 176.602 174.700 -0.046 0.000 1.037 766 T CA 1.301 63.368 62.100 -0.055 0.000 1.146 766 T CB -0.292 68.542 68.868 -0.057 0.000 0.865 766 T HN 0.319 nan 8.240 nan 0.000 0.435 767 L N 0.996 122.197 121.223 -0.036 0.000 2.017 767 L HA 0.075 4.416 4.340 0.001 0.000 0.208 767 L C 2.161 179.012 176.870 -0.032 0.000 1.073 767 L CA 1.530 56.355 54.840 -0.025 0.000 0.745 767 L CB -0.892 41.155 42.059 -0.019 0.000 0.894 767 L HN 0.247 nan 8.230 nan 0.000 0.432 768 L N -0.551 120.646 121.223 -0.043 0.000 2.042 768 L HA -0.239 4.101 4.340 0.001 0.000 0.210 768 L C 2.619 179.440 176.870 -0.081 0.000 1.076 768 L CA 1.821 56.628 54.840 -0.055 0.000 0.749 768 L CB -0.566 41.458 42.059 -0.058 0.000 0.893 768 L HN 0.458 nan 8.230 nan 0.000 0.432 769 E N 0.126 120.274 120.200 -0.086 0.000 2.072 769 E HA -0.224 4.127 4.350 0.001 0.000 0.191 769 E C 1.939 178.492 176.600 -0.078 0.000 0.985 769 E CA 1.070 57.404 56.400 -0.110 0.000 0.801 769 E CB 0.092 29.735 29.700 -0.095 0.000 0.750 769 E HN 0.442 nan 8.360 nan 0.000 0.452 770 N N -0.127 118.553 118.700 -0.032 0.000 2.244 770 N HA -0.096 4.644 4.740 0.001 0.000 0.183 770 N C 1.750 177.271 175.510 0.019 0.000 1.016 770 N CA 1.667 54.731 53.050 0.024 0.000 0.866 770 N CB -0.228 38.294 38.487 0.058 0.000 0.980 770 N HN 0.210 nan 8.380 nan 0.000 0.430 771 T N 0.849 115.395 114.554 -0.013 0.000 2.821 771 T HA -0.006 4.344 4.350 0.001 0.000 0.267 771 T C 2.042 176.730 174.700 -0.021 0.000 1.046 771 T CA 1.141 63.229 62.100 -0.020 0.000 1.139 771 T CB -0.216 68.635 68.868 -0.028 0.000 0.871 771 T HN 0.276 nan 8.240 nan 0.000 0.454 772 A N 1.243 124.023 122.820 -0.067 0.000 1.902 772 A HA 0.010 4.330 4.320 0.001 0.000 0.217 772 A C 2.271 179.849 177.584 -0.010 0.000 1.181 772 A CA 1.160 53.107 52.037 -0.149 0.000 0.623 772 A CB -0.740 17.953 19.000 -0.512 0.000 0.818 772 A HN 0.523 nan 8.150 nan 0.000 0.443 773 I N -0.740 119.818 120.570 -0.020 0.000 2.353 773 I HA -0.160 4.011 4.170 0.001 0.000 0.248 773 I C 2.442 178.611 176.117 0.086 0.000 1.119 773 I CA 1.515 62.854 61.300 0.064 0.000 1.417 773 I CB -0.414 37.622 38.000 0.060 0.000 1.078 773 I HN 0.220 nan 8.210 nan 0.000 0.421 774 T N 1.043 115.627 114.554 0.049 0.000 2.812 774 T HA -0.042 4.308 4.350 0.001 0.000 0.264 774 T C 1.958 176.663 174.700 0.007 0.000 1.042 774 T CA 1.177 63.288 62.100 0.018 0.000 1.140 774 T CB -0.159 68.707 68.868 -0.003 0.000 0.870 774 T HN 0.206 nan 8.240 nan 0.000 0.445 775 I N 1.232 121.796 120.570 -0.011 0.000 2.179 775 I HA -0.130 4.041 4.170 0.001 0.000 0.242 775 I C 2.895 179.006 176.117 -0.010 0.000 1.088 775 I CA 1.325 62.560 61.300 -0.108 0.000 1.357 775 I CB -0.807 36.989 38.000 -0.340 0.000 1.051 775 I HN 0.317 nan 8.210 nan 0.000 0.409 776 G N 0.686 109.583 108.800 0.161 0.000 2.491 776 G HA2 -0.283 3.677 3.960 0.001 0.000 0.218 776 G HA3 -0.283 3.677 3.960 0.001 0.000 0.218 776 G C 1.787 176.792 174.900 0.175 0.000 1.180 776 G CA 0.793 46.031 45.100 0.230 0.000 0.774 776 G HN 0.297 nan 8.290 nan 0.000 0.562 777 R N -0.280 120.295 120.500 0.125 0.000 2.081 777 R HA 0.073 4.414 4.340 0.001 0.000 0.235 777 R C 2.713 179.076 176.300 0.104 0.000 1.131 777 R CA 0.977 57.130 56.100 0.088 0.000 0.960 777 R CB -0.478 29.832 30.300 0.017 0.000 0.856 777 R HN 0.333 nan 8.270 nan 0.000 0.436 778 L N -0.383 120.878 121.223 0.063 0.000 2.083 778 L HA -0.136 4.205 4.340 0.001 0.000 0.209 778 L C 2.497 179.415 176.870 0.080 0.000 1.083 778 L CA 1.374 56.248 54.840 0.056 0.000 0.752 778 L CB -0.776 41.294 42.059 0.020 0.000 0.899 778 L HN 0.393 nan 8.230 nan 0.000 0.433 779 G N -0.985 107.868 108.800 0.088 0.000 2.484 779 G HA2 -0.363 3.597 3.960 0.001 0.000 0.215 779 G HA3 -0.363 3.597 3.960 0.001 0.000 0.215 779 G C 1.447 176.425 174.900 0.129 0.000 1.219 779 G CA 0.756 45.914 45.100 0.097 0.000 0.791 779 G HN 0.365 nan 8.290 nan 0.000 0.550 780 Y N 0.329 120.657 120.300 0.047 0.000 2.332 780 Y HA -0.158 4.392 4.550 0.001 0.000 0.283 780 Y C 2.538 178.459 175.900 0.034 0.000 1.186 780 Y CA 1.664 59.793 58.100 0.049 0.000 1.266 780 Y CB 0.133 38.631 38.460 0.062 0.000 0.973 780 Y HN 0.056 nan 8.280 nan 0.000 0.548 781 V N -2.199 117.833 119.914 0.197 0.000 3.379 781 V HA 0.021 4.141 4.120 0.001 0.000 0.249 781 V C 0.078 176.207 176.094 0.059 0.000 1.184 781 V CA 0.720 63.100 62.300 0.134 0.000 1.106 781 V CB 0.742 32.656 31.823 0.151 0.000 0.826 781 V HN 0.357 nan 8.190 nan 0.000 0.465 782 C N 1.210 120.543 119.300 0.055 0.000 3.418 782 C HA 0.364 4.824 4.460 0.001 0.000 0.238 782 C C -1.475 173.533 174.990 0.031 0.000 1.205 782 C CA -0.662 58.377 59.018 0.036 0.000 1.376 782 C CB 0.727 28.494 27.740 0.045 0.000 1.826 782 C HN 0.368 nan 8.230 nan 0.000 0.513 783 P HA -0.120 nan 4.420 nan 0.000 0.216 783 P C 1.569 178.879 177.300 0.016 0.000 1.153 783 P CA 1.395 64.502 63.100 0.012 0.000 0.844 783 P CB 0.122 31.813 31.700 -0.015 0.000 0.787 784 Q N -0.342 119.463 119.800 0.007 0.000 2.439 784 Q HA -0.133 4.208 4.340 0.001 0.000 0.211 784 Q C 1.429 177.439 176.000 0.016 0.000 0.978 784 Q CA 1.074 56.881 55.803 0.006 0.000 0.897 784 Q CB -0.458 28.280 28.738 -0.001 0.000 0.956 784 Q HN 0.426 nan 8.270 nan 0.000 0.483 785 E N -0.366 119.850 120.200 0.028 0.000 2.244 785 E HA 0.027 4.377 4.350 0.001 0.000 0.196 785 E C 2.079 178.715 176.600 0.060 0.000 0.939 785 E CA 0.482 56.904 56.400 0.037 0.000 0.884 785 E CB 0.367 30.089 29.700 0.037 0.000 0.850 785 E HN 0.135 nan 8.360 nan 0.000 0.481 786 V N 1.173 121.131 119.914 0.074 0.000 2.795 786 V HA 0.106 4.226 4.120 0.001 0.000 0.243 786 V C 2.362 178.552 176.094 0.159 0.000 1.069 786 V CA 1.082 63.457 62.300 0.124 0.000 1.089 786 V CB -0.522 31.365 31.823 0.107 0.000 0.756 786 V HN 0.139 nan 8.190 nan 0.000 0.471 787 A N 1.197 124.072 122.820 0.092 0.000 1.903 787 A HA -0.189 4.131 4.320 0.001 0.000 0.219 787 A C 0.497 178.087 177.584 0.011 0.000 1.191 787 A CA 2.400 54.461 52.037 0.040 0.000 0.638 787 A CB -2.092 16.914 19.000 0.009 0.000 0.823 787 A HN 0.500 nan 8.150 nan 0.000 0.451 788 P HA -0.201 nan 4.420 nan 0.000 0.219 788 P C 1.170 178.474 177.300 0.006 0.000 1.151 788 P CA 1.664 64.772 63.100 0.012 0.000 0.850 788 P CB -0.108 31.609 31.700 0.027 0.000 0.784 789 M N -2.991 116.633 119.600 0.039 0.000 2.346 789 M HA 0.085 4.565 4.480 0.001 0.000 0.280 789 M C 1.304 177.470 176.300 -0.223 0.000 1.075 789 M CA -0.327 54.991 55.300 0.030 0.000 0.989 789 M CB 0.000 32.715 32.600 0.191 0.000 1.447 789 M HN -0.105 nan 8.290 nan 0.000 0.511 790 L N 1.368 122.376 121.223 -0.359 0.000 2.081 790 L HA -0.250 4.090 4.340 0.001 0.000 0.212 790 L C 2.273 178.655 176.870 -0.814 0.000 1.080 790 L CA 2.143 56.483 54.840 -0.835 0.000 0.754 790 L CB -0.716 41.105 42.059 -0.397 0.000 0.893 790 L HN 0.397 nan 8.230 nan 0.000 0.433 791 Q N -1.137 118.419 119.800 -0.407 0.000 2.291 791 Q HA -0.222 4.119 4.340 0.001 0.000 0.206 791 Q C 1.950 177.804 176.000 -0.242 0.000 0.976 791 Q CA 1.516 57.164 55.803 -0.259 0.000 0.875 791 Q CB 0.093 28.752 28.738 -0.131 0.000 0.927 791 Q HN 0.699 nan 8.270 nan 0.000 0.450 792 Q N -1.034 118.603 119.800 -0.272 0.000 2.354 792 Q HA -0.039 4.302 4.340 0.001 0.000 0.203 792 Q C 1.025 177.009 176.000 -0.026 0.000 0.933 792 Q CA 0.702 56.445 55.803 -0.100 0.000 0.901 792 Q CB 0.369 29.111 28.738 0.007 0.000 1.007 792 Q HN 0.458 nan 8.270 nan 0.000 0.495 793 F N -3.186 116.753 119.950 -0.017 0.000 2.767 793 F HA 0.329 4.856 4.527 0.001 0.000 0.323 793 F C 1.373 177.191 175.800 0.030 0.000 1.091 793 F CA -0.670 57.334 58.000 0.006 0.000 1.192 793 F CB -0.363 38.652 39.000 0.024 0.000 1.056 793 F HN -0.149 nan 8.300 nan 0.000 0.571 794 I N 0.786 121.300 120.570 -0.094 0.000 2.394 794 I HA -0.146 4.024 4.170 0.001 0.000 0.251 794 I C 2.759 178.937 176.117 0.102 0.000 1.136 794 I CA 1.109 62.430 61.300 0.035 0.000 1.425 794 I CB -0.220 37.677 38.000 -0.172 0.000 1.079 794 I HN 0.209 nan 8.210 nan 0.000 0.425 795 R N 0.825 121.278 120.500 -0.078 0.000 2.082 795 R HA -0.157 4.183 4.340 0.001 0.000 0.234 795 R C -0.556 175.613 176.300 -0.219 0.000 1.136 795 R CA 2.348 58.233 56.100 -0.358 0.000 0.935 795 R CB -1.333 28.715 30.300 -0.421 0.000 0.842 795 R HN 0.318 nan 8.270 nan 0.000 0.430 796 P HA -0.131 nan 4.420 nan 0.000 0.219 796 P C 0.567 177.921 177.300 0.090 0.000 1.150 796 P CA 0.797 63.898 63.100 0.003 0.000 0.814 796 P CB -0.271 31.450 31.700 0.035 0.000 0.787 797 W N 0.498 121.804 121.300 0.010 0.000 2.315 797 W HA -0.294 4.366 4.660 0.001 0.000 0.323 797 W C 2.176 178.691 176.519 -0.007 0.000 1.233 797 W CA 1.804 59.165 57.345 0.027 0.000 1.267 797 W CB -1.118 28.424 29.460 0.136 0.000 1.160 797 W HN -0.067 nan 8.180 nan 0.000 0.474 798 C N -0.041 119.512 119.300 0.421 0.000 2.413 798 C HA -0.244 4.216 4.460 0.001 0.000 0.276 798 C C 2.577 177.607 174.990 0.067 0.000 1.236 798 C CA 1.910 61.090 59.018 0.269 0.000 1.735 798 C CB -1.569 26.396 27.740 0.375 0.000 2.031 798 C HN 0.460 nan 8.230 nan 0.000 0.474 799 T N 0.886 115.467 114.554 0.044 0.000 2.685 799 T HA -0.194 4.157 4.350 0.001 0.000 0.268 799 T C 1.912 176.585 174.700 -0.046 0.000 1.034 799 T CA 2.035 64.141 62.100 0.010 0.000 1.149 799 T CB -0.354 68.501 68.868 -0.022 0.000 0.860 799 T HN 0.579 nan 8.240 nan 0.000 0.449 800 S N 1.406 117.043 115.700 -0.104 0.000 2.361 800 S HA 0.055 4.526 4.470 0.001 0.000 0.214 800 S C 1.988 176.480 174.600 -0.180 0.000 1.034 800 S CA 0.993 59.101 58.200 -0.153 0.000 1.025 800 S CB -0.559 62.514 63.200 -0.211 0.000 0.996 800 S HN 0.385 nan 8.310 nan 0.000 0.422 801 L N 1.693 122.739 121.223 -0.296 0.000 2.549 801 L HA -0.008 4.332 4.340 0.001 0.000 0.230 801 L C 2.537 179.344 176.870 -0.105 0.000 1.162 801 L CA 0.562 55.256 54.840 -0.243 0.000 0.834 801 L CB -0.564 41.245 42.059 -0.417 0.000 0.947 801 L HN 0.264 nan 8.230 nan 0.000 0.452 802 R N 1.000 121.459 120.500 -0.068 0.000 2.091 802 R HA -0.163 4.178 4.340 0.001 0.000 0.238 802 R C 1.652 177.905 176.300 -0.078 0.000 1.136 802 R CA 1.735 57.818 56.100 -0.029 0.000 0.959 802 R CB -0.060 30.245 30.300 0.007 0.000 0.856 802 R HN 0.470 nan 8.270 nan 0.000 0.437 803 N N 0.336 118.986 118.700 -0.083 0.000 2.415 803 N HA -0.000 4.740 4.740 0.001 0.000 0.176 803 N C 0.350 175.795 175.510 -0.108 0.000 1.042 803 N CA 0.314 53.313 53.050 -0.084 0.000 0.902 803 N CB 0.254 38.702 38.487 -0.064 0.000 0.986 803 N HN 0.124 nan 8.380 nan 0.000 0.447 804 I N 3.244 123.736 120.570 -0.130 0.000 2.588 804 I HA 0.015 4.185 4.170 0.001 0.000 0.283 804 I C 1.372 177.362 176.117 -0.212 0.000 1.119 804 I CA -0.307 60.905 61.300 -0.148 0.000 1.419 804 I CB 0.260 38.174 38.000 -0.143 0.000 1.394 804 I HN 0.127 nan 8.210 nan 0.000 0.562 805 R N 4.853 125.238 120.500 -0.191 0.000 2.822 805 R HA 0.151 4.491 4.340 0.001 0.000 0.277 805 R C -0.636 175.451 176.300 -0.355 0.000 1.102 805 R CA -0.657 55.302 56.100 -0.236 0.000 1.207 805 R CB 0.287 30.500 30.300 -0.146 0.000 1.139 805 R HN 0.452 nan 8.270 nan 0.000 0.557 806 D N 0.779 120.930 120.400 -0.414 0.000 2.443 806 D HA 0.076 4.717 4.640 0.001 0.000 0.239 806 D C -0.436 175.738 176.300 -0.210 0.000 1.136 806 D CA 0.566 54.239 54.000 -0.544 0.000 0.879 806 D CB 0.336 40.986 40.800 -0.251 0.000 1.195 806 D HN 0.675 nan 8.370 nan 0.000 0.443 807 N N -1.501 117.146 118.700 -0.088 0.000 3.171 807 N HA 0.036 4.777 4.740 0.001 0.000 0.239 807 N C 0.153 175.768 175.510 0.174 0.000 1.275 807 N CA -0.743 52.339 53.050 0.054 0.000 0.920 807 N CB 1.062 39.550 38.487 0.001 0.000 1.554 807 N HN 0.101 nan 8.380 nan 0.000 0.504 808 E N 0.220 120.503 120.200 0.138 0.000 2.219 808 E HA -0.255 4.095 4.350 0.001 0.000 0.198 808 E C 0.806 177.493 176.600 0.145 0.000 0.998 808 E CA 1.997 58.480 56.400 0.139 0.000 0.818 808 E CB 0.090 29.842 29.700 0.087 0.000 0.741 808 E HN 0.605 nan 8.360 nan 0.000 0.477 809 E N 0.644 120.922 120.200 0.131 0.000 2.051 809 E HA -0.146 4.205 4.350 0.001 0.000 0.189 809 E C 2.014 178.729 176.600 0.192 0.000 0.979 809 E CA 1.040 57.517 56.400 0.128 0.000 0.803 809 E CB -0.581 29.177 29.700 0.097 0.000 0.761 809 E HN 0.330 nan 8.360 nan 0.000 0.451 810 K N 1.197 121.729 120.400 0.220 0.000 2.147 810 K HA -0.183 4.138 4.320 0.001 0.000 0.205 810 K C 1.979 179.018 176.600 0.730 0.000 1.049 810 K CA 1.506 58.011 56.287 0.363 0.000 0.936 810 K CB -0.019 32.582 32.500 0.168 0.000 0.722 810 K HN 0.010 nan 8.250 nan 0.000 0.446 811 D N 0.149 120.939 120.400 0.649 0.000 2.104 811 D HA -0.147 4.494 4.640 0.001 0.000 0.194 811 D C 1.775 178.292 176.300 0.362 0.000 0.994 811 D CA 1.805 56.117 54.000 0.521 0.000 0.830 811 D CB 0.027 41.021 40.800 0.323 0.000 0.959 811 D HN 0.352 nan 8.370 nan 0.000 0.452 812 S N -0.025 115.822 115.700 0.245 0.000 2.453 812 S HA 0.083 4.553 4.470 0.001 0.000 0.231 812 S C 2.062 176.780 174.600 0.197 0.000 1.005 812 S CA 0.846 59.105 58.200 0.099 0.000 0.949 812 S CB 0.108 63.294 63.200 -0.024 0.000 0.774 812 S HN 0.315 nan 8.310 nan 0.000 0.510 813 A N 0.645 123.671 122.820 0.344 0.000 1.975 813 A HA 0.335 4.655 4.320 0.001 0.000 0.215 813 A C 1.741 179.677 177.584 0.587 0.000 1.170 813 A CA 0.494 52.779 52.037 0.414 0.000 0.656 813 A CB -0.799 18.401 19.000 0.334 0.000 0.821 813 A HN 0.502 nan 8.150 nan 0.000 0.449 814 F N 0.302 120.621 119.950 0.615 0.000 2.163 814 F HA -0.064 4.463 4.527 0.001 0.000 0.297 814 F C 2.481 178.537 175.800 0.427 0.000 1.094 814 F CA 1.460 59.861 58.000 0.668 0.000 1.290 814 F CB -0.165 39.264 39.000 0.715 0.000 1.017 814 F HN 0.087 nan 8.300 nan 0.000 0.483 815 R N -0.120 120.669 120.500 0.481 0.000 2.159 815 R HA -0.119 4.221 4.340 0.001 0.000 0.237 815 R C 2.470 179.044 176.300 0.457 0.000 1.131 815 R CA 1.082 57.419 56.100 0.394 0.000 0.982 815 R CB -1.026 29.513 30.300 0.398 0.000 0.868 815 R HN 0.394 nan 8.270 nan 0.000 0.453 816 G N 1.280 110.346 108.800 0.444 0.000 2.404 816 G HA2 -0.173 3.787 3.960 0.001 0.000 0.214 816 G HA3 -0.173 3.787 3.960 0.001 0.000 0.214 816 G C 1.404 176.406 174.900 0.171 0.000 1.189 816 G CA 0.169 45.471 45.100 0.337 0.000 0.789 816 G HN 0.050 nan 8.290 nan 0.000 0.533 817 I N 1.017 121.651 120.570 0.108 0.000 2.194 817 I HA -0.201 3.970 4.170 0.001 0.000 0.246 817 I C 2.897 179.052 176.117 0.063 0.000 1.093 817 I CA 0.942 62.206 61.300 -0.061 0.000 1.355 817 I CB -0.824 36.966 38.000 -0.350 0.000 1.046 817 I HN 0.200 nan 8.210 nan 0.000 0.413 818 C N 0.540 119.975 119.300 0.226 0.000 2.432 818 C HA -0.162 4.298 4.460 0.001 0.000 0.277 818 C C 2.958 178.010 174.990 0.103 0.000 1.249 818 C CA 1.682 60.832 59.018 0.220 0.000 1.725 818 C CB -1.340 26.570 27.740 0.283 0.000 2.028 818 C HN 0.636 nan 8.230 nan 0.000 0.477 819 T N -1.571 113.024 114.554 0.069 0.000 3.035 819 T HA -0.104 4.246 4.350 0.001 0.000 0.268 819 T C 1.570 176.270 174.700 -0.001 0.000 1.109 819 T CA 1.197 63.297 62.100 -0.000 0.000 1.119 819 T CB -0.331 68.485 68.868 -0.086 0.000 0.900 819 T HN 0.497 nan 8.240 nan 0.000 0.503 820 M N 0.137 119.744 119.600 0.011 0.000 2.287 820 M HA 0.299 4.779 4.480 0.001 0.000 0.266 820 M C 1.959 178.244 176.300 -0.026 0.000 1.079 820 M CA 1.048 56.347 55.300 -0.002 0.000 1.146 820 M CB -0.161 32.443 32.600 0.006 0.000 1.374 820 M HN 0.200 nan 8.290 nan 0.000 0.435 821 I N -0.796 119.751 120.570 -0.038 0.000 2.142 821 I HA -0.256 3.914 4.170 0.001 0.000 0.240 821 I C 1.553 177.684 176.117 0.024 0.000 1.078 821 I CA 1.095 62.379 61.300 -0.027 0.000 1.343 821 I CB -0.352 37.605 38.000 -0.071 0.000 1.046 821 I HN 0.116 nan 8.210 nan 0.000 0.405 822 S N 0.085 115.804 115.700 0.031 0.000 2.889 822 S HA -0.003 4.467 4.470 0.001 0.000 0.235 822 S C 1.208 175.804 174.600 -0.007 0.000 0.978 822 S CA 0.289 58.501 58.200 0.019 0.000 1.010 822 S CB -0.137 63.078 63.200 0.025 0.000 0.799 822 S HN 0.254 nan 8.310 nan 0.000 0.534 823 V N 0.148 120.056 119.914 -0.010 0.000 3.165 823 V HA 0.255 4.376 4.120 0.001 0.000 0.231 823 V C 0.587 176.669 176.094 -0.020 0.000 1.365 823 V CA 0.057 62.346 62.300 -0.018 0.000 1.286 823 V CB 0.273 32.087 31.823 -0.016 0.000 1.081 823 V HN 0.400 nan 8.190 nan 0.000 0.477 824 N N 0.707 119.397 118.700 -0.017 0.000 2.791 824 N HA 0.233 4.974 4.740 0.001 0.000 0.265 824 N C -2.383 173.127 175.510 0.001 0.000 1.580 824 N CA -1.060 51.978 53.050 -0.020 0.000 0.809 824 N CB 2.121 40.590 38.487 -0.031 0.000 1.178 824 N HN 0.151 nan 8.380 nan 0.000 0.499 825 P HA -0.056 nan 4.420 nan 0.000 0.223 825 P C 1.417 178.820 177.300 0.173 0.000 1.151 825 P CA 0.868 64.055 63.100 0.144 0.000 0.787 825 P CB 0.254 31.930 31.700 -0.041 0.000 0.788 826 S N -0.569 115.161 115.700 0.051 0.000 2.400 826 S HA -0.124 4.346 4.470 0.001 0.000 0.232 826 S C 2.313 176.926 174.600 0.022 0.000 1.025 826 S CA 1.397 59.618 58.200 0.035 0.000 0.993 826 S CB -1.991 61.206 63.200 -0.005 0.000 0.808 826 S HN 0.241 nan 8.310 nan 0.000 0.478 827 G N 0.819 109.610 108.800 -0.015 0.000 2.470 827 G HA2 -0.021 3.939 3.960 0.001 0.000 0.220 827 G HA3 -0.021 3.939 3.960 0.001 0.000 0.220 827 G C 1.257 176.105 174.900 -0.086 0.000 1.121 827 G CA 0.911 45.963 45.100 -0.080 0.000 0.766 827 G HN 0.514 nan 8.290 nan 0.000 0.553 828 V N 1.077 120.971 119.914 -0.033 0.000 2.949 828 V HA 0.060 4.180 4.120 0.001 0.000 0.245 828 V C 2.640 178.790 176.094 0.094 0.000 1.086 828 V CA 0.057 62.342 62.300 -0.026 0.000 1.097 828 V CB -0.089 31.653 31.823 -0.135 0.000 0.762 828 V HN 0.220 nan 8.190 nan 0.000 0.470 829 I N 1.271 121.894 120.570 0.088 0.000 2.121 829 I HA -0.417 3.753 4.170 0.001 0.000 0.243 829 I C 3.025 179.191 176.117 0.081 0.000 1.047 829 I CA 2.795 64.129 61.300 0.057 0.000 1.308 829 I CB -1.648 36.380 38.000 0.047 0.000 1.015 829 I HN 0.524 nan 8.210 nan 0.000 0.410 830 Q N 0.034 119.877 119.800 0.073 0.000 2.234 830 Q HA -0.215 4.126 4.340 0.001 0.000 0.206 830 Q C 1.427 177.523 176.000 0.159 0.000 0.980 830 Q CA 2.020 57.875 55.803 0.087 0.000 0.869 830 Q CB -0.572 28.198 28.738 0.053 0.000 0.912 830 Q HN 0.645 nan 8.270 nan 0.000 0.436 831 D N -2.607 117.916 120.400 0.204 0.000 2.620 831 D HA 0.151 4.791 4.640 0.001 0.000 0.260 831 D C 0.476 177.017 176.300 0.401 0.000 1.367 831 D CA -0.512 53.705 54.000 0.361 0.000 0.805 831 D CB -0.166 40.822 40.800 0.314 0.000 1.096 831 D HN 0.388 nan 8.370 nan 0.000 0.488 832 F N 1.833 121.861 119.950 0.130 0.000 2.271 832 F HA -0.222 4.305 4.527 0.001 0.000 0.302 832 F C 1.826 177.783 175.800 0.261 0.000 1.063 832 F CA 1.270 59.330 58.000 0.099 0.000 1.362 832 F CB -0.150 38.788 39.000 -0.103 0.000 1.060 832 F HN -0.064 nan 8.300 nan 0.000 0.521 833 I N -0.990 119.792 120.570 0.354 0.000 2.194 833 I HA -0.355 3.816 4.170 0.001 0.000 0.246 833 I C 2.090 178.076 176.117 -0.220 0.000 1.093 833 I CA 1.614 62.959 61.300 0.075 0.000 1.355 833 I CB -0.824 37.074 38.000 -0.169 0.000 1.046 833 I HN 0.005 nan 8.210 nan 0.000 0.413 834 F N -0.284 119.678 119.950 0.021 0.000 2.163 834 F HA -0.151 4.376 4.527 0.001 0.000 0.297 834 F C 2.305 178.102 175.800 -0.006 0.000 1.094 834 F CA 1.248 59.250 58.000 0.003 0.000 1.290 834 F CB -0.720 38.320 39.000 0.065 0.000 1.017 834 F HN -0.043 nan 8.300 nan 0.000 0.483 835 F N 0.178 120.133 119.950 0.008 0.000 2.250 835 F HA -0.228 4.299 4.527 0.001 0.000 0.301 835 F C 2.110 177.755 175.800 -0.259 0.000 1.077 835 F CA 0.842 58.763 58.000 -0.132 0.000 1.348 835 F CB -0.621 38.179 39.000 -0.334 0.000 1.040 835 F HN -0.012 nan 8.300 nan 0.000 0.509 836 C N -0.029 119.043 119.300 -0.380 0.000 2.476 836 C HA -0.118 4.343 4.460 0.001 0.000 0.278 836 C C 2.546 177.322 174.990 -0.357 0.000 1.274 836 C CA 1.219 59.991 59.018 -0.409 0.000 1.713 836 C CB -1.080 26.526 27.740 -0.224 0.000 2.039 836 C HN 0.574 nan 8.230 nan 0.000 0.484 837 D N 1.147 121.373 120.400 -0.290 0.000 2.149 837 D HA -0.115 4.526 4.640 0.001 0.000 0.198 837 D C 2.116 178.345 176.300 -0.118 0.000 0.990 837 D CA 1.726 55.600 54.000 -0.210 0.000 0.839 837 D CB -0.137 40.559 40.800 -0.173 0.000 0.948 837 D HN 0.398 nan 8.370 nan 0.000 0.460 838 A N -0.231 122.548 122.820 -0.068 0.000 1.902 838 A HA -0.096 4.225 4.320 0.001 0.000 0.217 838 A C 2.497 180.052 177.584 -0.048 0.000 1.181 838 A CA 1.592 53.691 52.037 0.104 0.000 0.623 838 A CB -0.714 18.493 19.000 0.345 0.000 0.818 838 A HN 0.218 nan 8.150 nan 0.000 0.443 839 V N -0.350 119.287 119.914 -0.461 0.000 2.548 839 V HA -0.154 3.967 4.120 0.001 0.000 0.249 839 V C 2.861 178.792 176.094 -0.271 0.000 1.055 839 V CA 1.633 63.476 62.300 -0.762 0.000 1.065 839 V CB -0.983 30.076 31.823 -1.274 0.000 0.681 839 V HN 0.586 nan 8.190 nan 0.000 0.462 840 A N 0.552 123.270 122.820 -0.170 0.000 2.119 840 A HA -0.098 4.222 4.320 0.001 0.000 0.217 840 A C 2.450 180.047 177.584 0.022 0.000 1.153 840 A CA 1.450 53.478 52.037 -0.014 0.000 0.692 840 A CB -0.446 18.517 19.000 -0.061 0.000 0.799 840 A HN 0.655 nan 8.150 nan 0.000 0.458 841 S N -1.871 113.824 115.700 -0.008 0.000 2.428 841 S HA -0.094 4.377 4.470 0.001 0.000 0.230 841 S C 0.354 174.910 174.600 -0.072 0.000 1.014 841 S CA -0.195 57.970 58.200 -0.058 0.000 0.957 841 S CB -0.582 62.554 63.200 -0.105 0.000 0.784 841 S HN 0.518 nan 8.310 nan 0.000 0.499 842 W N 1.718 122.966 121.300 -0.087 0.000 2.565 842 W HA 0.407 5.067 4.660 0.001 0.000 0.325 842 W C 1.047 177.571 176.519 0.008 0.000 1.408 842 W CA -0.628 56.691 57.345 -0.044 0.000 1.350 842 W CB 0.037 29.482 29.460 -0.026 0.000 1.426 842 W HN 0.175 nan 8.180 nan 0.000 0.538 843 I N 2.367 123.027 120.570 0.149 0.000 2.233 843 I HA -0.173 3.997 4.170 0.001 0.000 0.243 843 I C 1.137 177.344 176.117 0.151 0.000 1.093 843 I CA 1.221 62.586 61.300 0.108 0.000 1.380 843 I CB -0.036 37.983 38.000 0.030 0.000 1.067 843 I HN 0.425 nan 8.210 nan 0.000 0.413 844 N N 1.148 119.981 118.700 0.222 0.000 2.675 844 N HA 0.257 4.997 4.740 0.001 0.000 0.254 844 N C -2.712 172.970 175.510 0.286 0.000 1.224 844 N CA -1.288 51.880 53.050 0.196 0.000 0.777 844 N CB 1.323 39.883 38.487 0.121 0.000 1.256 844 N HN -0.143 nan 8.380 nan 0.000 0.531 845 P HA 0.200 nan 4.420 nan 0.000 0.274 845 P C -0.266 177.016 177.300 -0.030 0.000 1.231 845 P CA -0.106 63.002 63.100 0.013 0.000 0.790 845 P CB 0.536 32.184 31.700 -0.087 0.000 0.951 846 K N 0.623 120.958 120.400 -0.109 0.000 2.382 846 K HA 0.325 4.645 4.320 0.001 0.000 0.275 846 K C 1.356 177.900 176.600 -0.094 0.000 1.009 846 K CA 0.589 56.835 56.287 -0.068 0.000 0.970 846 K CB -1.493 30.967 32.500 -0.066 0.000 0.934 846 K HN 0.617 nan 8.250 nan 0.000 0.479 847 D N 0.864 121.235 120.400 -0.048 0.000 2.190 847 D HA -0.233 4.407 4.640 0.001 0.000 0.200 847 D C 1.569 177.833 176.300 -0.059 0.000 0.992 847 D CA 1.681 55.656 54.000 -0.040 0.000 0.854 847 D CB -0.266 40.524 40.800 -0.017 0.000 0.936 847 D HN 0.771 nan 8.370 nan 0.000 0.462 848 D N -0.913 119.445 120.400 -0.072 0.000 2.144 848 D HA -0.063 4.577 4.640 0.001 0.000 0.200 848 D C 2.034 178.245 176.300 -0.148 0.000 0.978 848 D CA 0.479 54.434 54.000 -0.076 0.000 0.833 848 D CB -0.107 40.663 40.800 -0.050 0.000 0.961 848 D HN 0.392 nan 8.370 nan 0.000 0.470 849 L N 0.779 121.849 121.223 -0.255 0.000 2.095 849 L HA -0.023 4.318 4.340 0.001 0.000 0.204 849 L C 2.773 179.311 176.870 -0.553 0.000 1.080 849 L CA 1.899 56.430 54.840 -0.515 0.000 0.759 849 L CB -0.850 40.779 42.059 -0.717 0.000 0.914 849 L HN -0.067 nan 8.230 nan 0.000 0.439 850 R N 0.196 120.540 120.500 -0.260 0.000 2.113 850 R HA -0.240 4.101 4.340 0.001 0.000 0.244 850 R C 1.976 178.321 176.300 0.076 0.000 1.142 850 R CA 2.680 58.784 56.100 0.007 0.000 0.953 850 R CB -2.546 27.773 30.300 0.032 0.000 0.860 850 R HN 0.648 nan 8.270 nan 0.000 0.438 851 D N 0.556 120.959 120.400 0.005 0.000 2.117 851 D HA -0.085 4.556 4.640 0.001 0.000 0.197 851 D C 2.222 178.561 176.300 0.065 0.000 0.987 851 D CA 1.907 55.940 54.000 0.054 0.000 0.829 851 D CB -0.339 40.477 40.800 0.026 0.000 0.961 851 D HN 0.656 nan 8.370 nan 0.000 0.460 852 M N -0.974 118.607 119.600 -0.032 0.000 2.117 852 M HA 0.054 4.535 4.480 0.001 0.000 0.262 852 M C 2.332 178.741 176.300 0.182 0.000 1.065 852 M CA 1.359 56.667 55.300 0.014 0.000 1.114 852 M CB -0.505 32.035 32.600 -0.099 0.000 1.361 852 M HN 0.339 nan 8.290 nan 0.000 0.408 853 F N -0.077 119.922 119.950 0.082 0.000 2.134 853 F HA -0.247 4.280 4.527 0.001 0.000 0.299 853 F C 2.743 178.565 175.800 0.037 0.000 1.097 853 F CA 0.435 58.443 58.000 0.014 0.000 1.264 853 F CB -0.460 38.402 39.000 -0.230 0.000 1.001 853 F HN 0.238 nan 8.300 nan 0.000 0.479 854 C N 0.641 120.128 119.300 0.311 0.000 2.436 854 C HA -0.192 4.269 4.460 0.001 0.000 0.277 854 C C 3.159 178.296 174.990 0.246 0.000 1.241 854 C CA 1.904 61.077 59.018 0.259 0.000 1.721 854 C CB -1.279 26.663 27.740 0.336 0.000 2.043 854 C HN 0.511 nan 8.230 nan 0.000 0.472 855 K N 0.058 120.601 120.400 0.239 0.000 2.152 855 K HA -0.110 4.211 4.320 0.001 0.000 0.206 855 K C 1.472 178.211 176.600 0.231 0.000 1.048 855 K CA 1.925 58.337 56.287 0.209 0.000 0.933 855 K CB -0.827 31.762 32.500 0.149 0.000 0.721 855 K HN 0.688 nan 8.250 nan 0.000 0.447 856 I N -0.184 120.565 120.570 0.299 0.000 2.339 856 I HA -0.111 4.059 4.170 0.001 0.000 0.245 856 I C 2.483 178.907 176.117 0.511 0.000 1.096 856 I CA 0.712 62.257 61.300 0.408 0.000 1.408 856 I CB -0.056 38.218 38.000 0.456 0.000 1.092 856 I HN 0.195 nan 8.210 nan 0.000 0.423 857 L N -0.091 121.372 121.223 0.400 0.000 2.017 857 L HA -0.241 4.099 4.340 0.001 0.000 0.208 857 L C 2.764 179.718 176.870 0.139 0.000 1.073 857 L CA 1.312 56.377 54.840 0.374 0.000 0.745 857 L CB -0.940 41.239 42.059 0.200 0.000 0.894 857 L HN 0.339 nan 8.230 nan 0.000 0.432 858 H N -0.248 118.901 119.070 0.131 0.000 2.389 858 H HA -0.072 4.484 4.556 0.001 0.000 0.299 858 H C 2.245 177.516 175.328 -0.094 0.000 1.081 858 H CA 1.316 57.340 56.048 -0.038 0.000 1.345 858 H CB -0.560 29.216 29.762 0.023 0.000 1.393 858 H HN 0.342 nan 8.280 nan 0.000 0.520 859 G N -0.382 108.496 108.800 0.131 0.000 2.462 859 G HA2 -0.235 3.725 3.960 0.001 0.000 0.220 859 G HA3 -0.235 3.725 3.960 0.001 0.000 0.220 859 G C 1.368 176.177 174.900 -0.152 0.000 1.121 859 G CA 0.484 45.584 45.100 0.002 0.000 0.758 859 G HN 0.270 nan 8.290 nan 0.000 0.559 860 F N 0.375 120.218 119.950 -0.178 0.000 2.387 860 F HA 0.216 4.743 4.527 0.001 0.000 0.294 860 F C 2.484 177.998 175.800 -0.476 0.000 1.093 860 F CA 1.048 58.860 58.000 -0.313 0.000 1.420 860 F CB 0.037 38.794 39.000 -0.406 0.000 1.086 860 F HN 0.041 nan 8.300 nan 0.000 0.531 861 K N 0.612 120.613 120.400 -0.665 0.000 2.103 861 K HA -0.250 4.070 4.320 0.001 0.000 0.207 861 K C 1.999 178.372 176.600 -0.378 0.000 1.048 861 K CA 1.643 57.362 56.287 -0.947 0.000 0.930 861 K CB -0.368 31.363 32.500 -1.282 0.000 0.716 861 K HN 0.234 nan 8.250 nan 0.000 0.444 862 N N 0.060 118.599 118.700 -0.268 0.000 2.244 862 N HA -0.182 4.558 4.740 0.001 0.000 0.183 862 N C 1.852 177.265 175.510 -0.162 0.000 1.016 862 N CA 1.140 54.085 53.050 -0.175 0.000 0.866 862 N CB 0.150 38.551 38.487 -0.144 0.000 0.980 862 N HN 0.276 nan 8.380 nan 0.000 0.430 863 Q N 0.491 120.167 119.800 -0.207 0.000 2.061 863 Q HA 0.046 4.387 4.340 0.001 0.000 0.195 863 Q C 1.877 177.803 176.000 -0.123 0.000 0.967 863 Q CA 0.826 56.510 55.803 -0.199 0.000 0.829 863 Q CB -0.419 28.120 28.738 -0.330 0.000 0.900 863 Q HN 0.080 nan 8.270 nan 0.000 0.450 864 V N -0.495 119.366 119.914 -0.089 0.000 2.809 864 V HA 0.169 4.290 4.120 0.001 0.000 0.256 864 V C 0.543 176.648 176.094 0.018 0.000 1.080 864 V CA 1.458 63.748 62.300 -0.016 0.000 1.102 864 V CB -0.493 31.356 31.823 0.043 0.000 0.705 864 V HN 0.594 nan 8.190 nan 0.000 0.475 865 G N -0.450 108.352 108.800 0.003 0.000 2.712 865 G HA2 -0.169 3.791 3.960 0.001 0.000 0.686 865 G HA3 -0.169 3.791 3.960 0.001 0.000 0.686 865 G C -0.074 174.881 174.900 0.092 0.000 1.181 865 G CA 0.000 45.115 45.100 0.025 0.000 0.762 865 G HN 0.151 nan 8.290 nan 0.000 0.641 866 D N -0.326 120.119 120.400 0.075 0.000 2.178 866 D HA -0.099 4.541 4.640 0.001 0.000 0.201 866 D C 2.067 178.472 176.300 0.175 0.000 0.980 866 D CA 1.290 55.370 54.000 0.133 0.000 0.842 866 D CB 0.237 41.085 40.800 0.080 0.000 0.948 866 D HN 0.520 nan 8.370 nan 0.000 0.472 867 E N 0.957 121.229 120.200 0.121 0.000 2.046 867 E HA -0.094 4.256 4.350 0.001 0.000 0.190 867 E C 1.656 178.332 176.600 0.126 0.000 0.982 867 E CA 0.574 57.036 56.400 0.103 0.000 0.800 867 E CB -0.085 29.654 29.700 0.066 0.000 0.756 867 E HN 0.364 nan 8.360 nan 0.000 0.449 868 N N 0.220 119.004 118.700 0.139 0.000 2.223 868 N HA -0.167 4.573 4.740 0.001 0.000 0.185 868 N C 1.819 177.471 175.510 0.236 0.000 1.016 868 N CA 0.740 53.880 53.050 0.150 0.000 0.863 868 N CB -0.377 38.178 38.487 0.114 0.000 0.983 868 N HN 0.389 nan 8.380 nan 0.000 0.429 869 W N 2.507 123.851 121.300 0.073 0.000 2.388 869 W HA -0.211 4.449 4.660 0.001 0.000 0.294 869 W C 2.628 179.210 176.519 0.105 0.000 1.212 869 W CA 1.900 59.319 57.345 0.122 0.000 1.271 869 W CB 0.071 29.592 29.460 0.102 0.000 1.126 869 W HN 0.068 nan 8.180 nan 0.000 0.535 870 R N 0.482 121.054 120.500 0.120 0.000 2.062 870 R HA -0.140 4.200 4.340 0.001 0.000 0.229 870 R C 2.211 178.455 176.300 -0.093 0.000 1.128 870 R CA 2.715 58.796 56.100 -0.031 0.000 0.960 870 R CB -1.831 28.495 30.300 0.043 0.000 0.855 870 R HN 0.328 nan 8.270 nan 0.000 0.432 871 R N -0.070 120.427 120.500 -0.004 0.000 2.120 871 R HA 0.026 4.367 4.340 0.001 0.000 0.234 871 R C 2.117 178.409 176.300 -0.014 0.000 1.123 871 R CA 1.754 57.852 56.100 -0.002 0.000 0.975 871 R CB -1.412 28.916 30.300 0.046 0.000 0.866 871 R HN 0.744 nan 8.270 nan 0.000 0.446 872 F N 2.104 121.955 119.950 -0.165 0.000 2.098 872 F HA -0.057 4.470 4.527 0.001 0.000 0.294 872 F C 2.250 177.820 175.800 -0.384 0.000 1.107 872 F CA 1.802 59.691 58.000 -0.186 0.000 1.234 872 F CB -0.311 38.599 39.000 -0.149 0.000 1.002 872 F HN 0.238 nan 8.300 nan 0.000 0.472 873 S N -0.900 114.233 115.700 -0.946 0.000 2.803 873 S HA -0.023 4.447 4.470 0.001 0.000 0.226 873 S C 0.938 174.926 174.600 -1.020 0.000 0.962 873 S CA 0.708 57.883 58.200 -1.708 0.000 0.968 873 S CB -0.586 61.690 63.200 -1.540 0.000 0.786 873 S HN 0.420 nan 8.310 nan 0.000 0.527 874 D N 1.682 121.755 120.400 -0.546 0.000 2.394 874 D HA 0.081 4.721 4.640 0.001 0.000 0.226 874 D C 1.949 178.156 176.300 -0.155 0.000 0.990 874 D CA 0.568 54.405 54.000 -0.271 0.000 0.902 874 D CB -0.184 40.520 40.800 -0.161 0.000 1.038 874 D HN 0.428 nan 8.370 nan 0.000 0.499 875 Q N -0.335 119.378 119.800 -0.144 0.000 2.500 875 Q HA -0.034 4.306 4.340 0.001 0.000 0.213 875 Q C -0.119 175.892 176.000 0.017 0.000 0.974 875 Q CA 0.112 55.883 55.803 -0.055 0.000 0.918 875 Q CB 0.034 28.742 28.738 -0.051 0.000 0.980 875 Q HN 0.176 nan 8.270 nan 0.000 0.505 876 F N 2.000 121.770 119.950 -0.300 0.000 2.629 876 F HA 0.018 4.545 4.527 0.001 0.000 0.377 876 F C -1.577 174.118 175.800 -0.174 0.000 1.101 876 F CA -2.468 55.369 58.000 -0.272 0.000 1.301 876 F CB -0.380 38.451 39.000 -0.281 0.000 1.062 876 F HN -0.044 nan 8.300 nan 0.000 0.583 877 P HA 0.073 nan 4.420 nan 0.000 0.264 877 P C 1.056 178.353 177.300 -0.006 0.000 1.193 877 P CA 0.200 63.268 63.100 -0.053 0.000 0.763 877 P CB 0.344 31.979 31.700 -0.108 0.000 0.810 878 L N 5.542 126.766 121.223 0.002 0.000 2.013 878 L HA -0.148 4.193 4.340 0.001 0.000 0.212 878 L C -0.209 176.674 176.870 0.020 0.000 1.073 878 L CA 2.449 57.299 54.840 0.016 0.000 0.753 878 L CB -3.233 38.828 42.059 0.005 0.000 0.890 878 L HN 0.441 nan 8.230 nan 0.000 0.432 879 P HA -0.121 nan 4.420 nan 0.000 0.217 879 P C 1.988 179.294 177.300 0.010 0.000 1.150 879 P CA 1.193 64.295 63.100 0.004 0.000 0.832 879 P CB -0.073 31.621 31.700 -0.010 0.000 0.787 880 L N 0.139 121.353 121.223 -0.016 0.000 2.046 880 L HA -0.121 4.219 4.340 0.001 0.000 0.208 880 L C 2.161 179.090 176.870 0.097 0.000 1.077 880 L CA 2.058 56.876 54.840 -0.036 0.000 0.747 880 L CB -1.316 40.619 42.059 -0.207 0.000 0.896 880 L HN -0.225 nan 8.230 nan 0.000 0.432 881 K N 0.094 120.610 120.400 0.194 0.000 2.063 881 K HA -0.220 4.100 4.320 0.001 0.000 0.208 881 K C 2.106 178.783 176.600 0.129 0.000 1.048 881 K CA 2.073 58.514 56.287 0.256 0.000 0.928 881 K CB -0.124 32.457 32.500 0.135 0.000 0.713 881 K HN 0.642 nan 8.250 nan 0.000 0.442 882 E N 0.291 120.542 120.200 0.084 0.000 2.107 882 E HA -0.150 4.201 4.350 0.001 0.000 0.191 882 E C 2.206 178.852 176.600 0.077 0.000 0.982 882 E CA 1.701 58.140 56.400 0.065 0.000 0.809 882 E CB -0.891 28.834 29.700 0.042 0.000 0.756 882 E HN 0.569 nan 8.360 nan 0.000 0.459 883 R N -0.016 120.530 120.500 0.077 0.000 2.075 883 R HA 0.215 4.556 4.340 0.001 0.000 0.232 883 R C 2.461 178.845 176.300 0.140 0.000 1.126 883 R CA 1.642 57.792 56.100 0.083 0.000 0.963 883 R CB -1.162 29.172 30.300 0.057 0.000 0.858 883 R HN 0.445 nan 8.270 nan 0.000 0.435 884 L N -0.169 121.158 121.223 0.173 0.000 2.179 884 L HA 0.306 4.647 4.340 0.001 0.000 0.208 884 L C 2.791 179.816 176.870 0.258 0.000 1.096 884 L CA 1.528 56.522 54.840 0.256 0.000 0.779 884 L CB -0.539 41.675 42.059 0.259 0.000 0.922 884 L HN 0.443 nan 8.230 nan 0.000 0.443 885 A N -0.433 122.500 122.820 0.188 0.000 1.858 885 A HA -0.135 4.186 4.320 0.001 0.000 0.216 885 A C 2.433 180.103 177.584 0.143 0.000 1.190 885 A CA 1.961 54.095 52.037 0.161 0.000 0.617 885 A CB -1.123 17.941 19.000 0.106 0.000 0.827 885 A HN 0.485 nan 8.150 nan 0.000 0.443 886 A N -1.615 121.268 122.820 0.104 0.000 1.855 886 A HA 0.188 4.509 4.320 0.001 0.000 0.215 886 A C 2.379 179.981 177.584 0.030 0.000 1.191 886 A CA 2.180 54.256 52.037 0.064 0.000 0.613 886 A CB -1.204 17.821 19.000 0.042 0.000 0.829 886 A HN 1.191 nan 8.150 nan 0.000 0.442 887 F N -2.495 117.459 119.950 0.007 0.000 2.367 887 F HA 0.166 4.694 4.527 0.001 0.000 0.298 887 F C 1.924 177.447 175.800 -0.461 0.000 1.094 887 F CA 1.194 59.063 58.000 -0.219 0.000 1.409 887 F CB -0.790 38.066 39.000 -0.238 0.000 1.064 887 F HN 0.398 nan 8.300 nan 0.000 0.528 888 Y N -0.494 119.866 120.300 0.099 0.000 2.626 888 Y HA 0.466 5.016 4.550 0.001 0.000 0.248 888 Y C 1.527 177.515 175.900 0.147 0.000 1.147 888 Y CA -0.369 57.792 58.100 0.102 0.000 1.219 888 Y CB 0.600 39.099 38.460 0.064 0.000 1.279 888 Y HN 0.299 nan 8.280 nan 0.000 0.541 889 G N 1.452 110.408 108.800 0.260 0.000 2.324 889 G HA2 -0.210 3.750 3.960 0.001 0.000 0.292 889 G HA3 -0.210 3.750 3.960 0.001 0.000 0.292 889 G C -0.317 174.816 174.900 0.388 0.000 1.079 889 G CA 0.291 45.565 45.100 0.290 0.000 1.026 889 G HN 0.169 nan 8.290 nan 0.000 0.506 890 V N 0.000 120.114 119.914 0.334 0.000 2.409 890 V HA 0.000 4.120 4.120 0.001 0.000 0.244 890 V CA 0.000 62.545 62.300 0.409 0.000 1.235 890 V CB 0.000 32.085 31.823 0.436 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556