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 2jir_1_A DATA FIRST_RESID 4 DATA SEQUENCE RPEKWVKGVC RYCGTGCGVL VGVKDGKAVA IQGNPNNHNA GLLCLKGSLL DATA SEQUENCE IPVLNSKERV TQPLVRRHKG GKLEPVSWDE ALDLMASRFR SSIDMYGPNS DATA SEQUENCE VAWYGSGQCL TEESYVANKI FKGGFGTNNV DGNPRLCMAS AVGGYVTSFG DATA SEQUENCE KDEPMGTYAD IDQATCFFII GSNTSEAHPV LFRRIARRKQ VEPGVKIIVA DATA SEQUENCE DPRRTNTSRI ADMHVAFRPG TDLAFMHSMA WVIINEELDN PRFWQRYVNF DATA SEQUENCE MDAEGKPSDF EGYKAFLENY RPEKVAEICR VPVEQIYGAA RAFAESAATM DATA SEQUENCE SLWCMGINQR VQGVFANNLI HNLHLITGQI CRPGATSFSL TGQPNACGGV DATA SEQUENCE RDGGALSHLL PAGRAIPNAK HRAEMEKLWG LPEGRIAPEP GYHTVALFEA DATA SEQUENCE LGRGDVKCMI ICETNPAHTL PNLNKVHKAM SHPESFIVCI EAFPDAVTLE DATA SEQUENCE YADLVLPPAF WCERDGVYGC GERRYSLTEK AVDPPGQCRP TVNTLVEFAR DATA SEQUENCE RAGVDPQLVN FRNAEDVWNE WRMVSKGTTY DFWGMTRERL RKESGLIWPC DATA SEQUENCE PSEDHPGTSL RYVRGQDPCV PADHPDRFFF YGKPDGRAVI WMRPAKGAAE DATA SEQUENCE EPDAEYPLYL TSMRVIDHWH TATMTGKVPE LQKANPIAFV EINEEDAART DATA SEQUENCE GIKHGDSVIV ETRRDAMELP ARVSDVCRPG LIAVPFFDPK KLVNKLFLDA DATA SEQUENCE TDPVSREPEY KICAARVRKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.228 176.300 -0.120 0.000 0.893 4 R CA 0.000 56.070 56.100 -0.050 0.000 0.921 4 R CB 0.000 30.299 30.300 -0.003 0.000 0.687 5 P HA 0.193 nan 4.420 nan 0.000 0.267 5 P C 0.136 177.268 177.300 -0.279 0.000 1.205 5 P CA -0.111 62.740 63.100 -0.416 0.000 0.765 5 P CB 0.658 31.756 31.700 -1.003 0.000 0.828 6 E N 2.166 122.225 120.200 -0.235 0.000 2.250 6 E HA -0.042 4.309 4.350 0.001 0.000 0.192 6 E C 0.236 176.745 176.600 -0.151 0.000 0.986 6 E CA 0.889 57.203 56.400 -0.143 0.000 0.849 6 E CB 0.134 29.774 29.700 -0.101 0.000 0.797 6 E HN 0.543 nan 8.360 nan 0.000 0.482 7 K N -0.531 119.715 120.400 -0.258 0.000 2.508 7 K HA 0.416 4.736 4.320 0.001 0.000 0.260 7 K C -1.721 174.657 176.600 -0.371 0.000 0.949 7 K CA -0.811 55.356 56.287 -0.199 0.000 0.834 7 K CB 0.800 33.244 32.500 -0.094 0.000 1.365 7 K HN -0.179 nan 8.250 nan 0.000 0.437 8 W N 1.673 122.945 121.300 -0.046 0.000 2.429 8 W HA 0.513 5.174 4.660 0.001 0.000 0.314 8 W C -0.952 175.525 176.519 -0.071 0.000 1.062 8 W CA -0.782 56.531 57.345 -0.053 0.000 1.211 8 W CB 1.991 31.426 29.460 -0.041 0.000 1.305 8 W HN 0.201 nan 8.180 nan 0.000 0.476 9 V N 3.957 123.931 119.914 0.101 0.000 2.357 9 V HA 0.238 4.359 4.120 0.001 0.000 0.284 9 V C 0.166 176.253 176.094 -0.013 0.000 1.018 9 V CA -1.579 60.717 62.300 -0.008 0.000 0.841 9 V CB 1.038 32.794 31.823 -0.111 0.000 0.991 9 V HN 0.418 nan 8.190 nan 0.000 0.437 10 K N 3.441 123.830 120.400 -0.019 0.000 2.339 10 K HA 0.569 4.890 4.320 0.001 0.000 0.286 10 K C 0.438 176.991 176.600 -0.078 0.000 1.050 10 K CA 0.391 56.662 56.287 -0.027 0.000 0.956 10 K CB 0.701 33.188 32.500 -0.022 0.000 0.990 10 K HN 0.930 nan 8.250 nan 0.000 0.475 11 G N 1.818 110.583 108.800 -0.057 0.000 2.896 11 G HA2 0.488 4.449 3.960 0.001 0.000 0.247 11 G HA3 0.488 4.449 3.960 0.001 0.000 0.247 11 G C -1.523 173.403 174.900 0.043 0.000 1.187 11 G CA -0.520 44.539 45.100 -0.067 0.000 0.837 11 G HN 0.432 nan 8.290 nan 0.000 0.559 12 V N -0.165 119.828 119.914 0.131 0.000 2.760 12 V HA 0.386 4.507 4.120 0.001 0.000 0.309 12 V C 0.261 176.560 176.094 0.340 0.000 1.077 12 V CA -1.008 61.425 62.300 0.221 0.000 0.910 12 V CB 1.198 33.177 31.823 0.260 0.000 1.008 12 V HN 1.030 nan 8.190 nan 0.000 0.424 13 C N 4.198 123.622 119.300 0.207 0.000 2.465 13 C HA 0.053 4.513 4.460 0.001 0.000 0.402 13 C C 2.162 177.074 174.990 -0.130 0.000 1.448 13 C CA 0.283 59.323 59.018 0.036 0.000 1.589 13 C CB -0.161 27.585 27.740 0.011 0.000 2.535 13 C HN 1.025 nan 8.230 nan 0.000 0.600 14 R N 3.424 123.494 120.500 -0.716 0.000 2.237 14 R HA 0.016 4.357 4.340 0.001 0.000 0.219 14 R C 0.506 176.272 176.300 -0.889 0.000 1.080 14 R CA 1.779 57.302 56.100 -0.963 0.000 0.995 14 R CB -0.476 28.752 30.300 -1.787 0.000 0.875 14 R HN 0.918 nan 8.270 nan 0.000 0.462 15 Y N -1.410 118.496 120.300 -0.656 0.000 2.800 15 Y HA 0.151 4.701 4.550 0.001 0.000 0.176 15 Y C 1.572 177.075 175.900 -0.662 0.000 0.915 15 Y CA -0.115 57.332 58.100 -1.088 0.000 1.372 15 Y CB -0.854 37.033 38.460 -0.956 0.000 1.069 15 Y HN 0.051 nan 8.280 nan 0.000 0.446 16 C N 0.826 120.085 119.300 -0.068 0.000 2.633 16 C HA 0.491 4.952 4.460 0.001 0.000 0.345 16 C C 2.044 177.124 174.990 0.149 0.000 1.384 16 C CA -0.211 58.900 59.018 0.155 0.000 2.418 16 C CB 0.086 27.870 27.740 0.072 0.000 2.425 16 C HN 0.864 nan 8.230 nan 0.000 0.705 17 G N 0.305 109.241 108.800 0.227 0.000 2.776 17 G HA2 0.037 3.998 3.960 0.001 0.000 0.209 17 G HA3 0.037 3.998 3.960 0.001 0.000 0.209 17 G C 1.159 176.287 174.900 0.380 0.000 1.145 17 G CA 1.001 46.277 45.100 0.294 0.000 0.791 17 G HN 0.886 nan 8.290 nan 0.000 0.530 18 T N 0.724 115.490 114.554 0.353 0.000 2.788 18 T HA 0.120 4.471 4.350 0.001 0.000 0.268 18 T C 1.961 176.921 174.700 0.433 0.000 1.044 18 T CA 1.364 63.642 62.100 0.295 0.000 1.139 18 T CB -0.378 68.596 68.868 0.177 0.000 0.867 18 T HN 1.022 nan 8.240 nan 0.000 0.454 19 G N 0.907 109.907 108.800 0.333 0.000 2.272 19 G HA2 -0.273 3.688 3.960 0.001 0.000 0.280 19 G HA3 -0.273 3.688 3.960 0.001 0.000 0.280 19 G C 0.248 175.366 174.900 0.363 0.000 1.067 19 G CA -0.152 45.159 45.100 0.351 0.000 0.902 19 G HN 0.640 nan 8.290 nan 0.000 0.500 20 C N 0.497 119.908 119.300 0.184 0.000 2.634 20 C HA 0.513 4.974 4.460 0.001 0.000 0.418 20 C C 1.718 176.724 174.990 0.025 0.000 1.373 20 C CA 0.280 59.286 59.018 -0.020 0.000 1.756 20 C CB -0.080 27.649 27.740 -0.018 0.000 2.589 20 C HN 0.956 nan 8.230 nan 0.000 0.602 21 G N 2.505 111.280 108.800 -0.043 0.000 2.467 21 G HA2 0.486 4.447 3.960 0.001 0.000 0.257 21 G HA3 0.486 4.447 3.960 0.001 0.000 0.257 21 G C -0.745 174.167 174.900 0.020 0.000 1.227 21 G CA -0.098 45.010 45.100 0.014 0.000 0.835 21 G HN 0.688 nan 8.290 nan 0.000 0.556 22 V N 2.143 122.095 119.914 0.063 0.000 2.925 22 V HA 0.511 4.632 4.120 0.001 0.000 0.311 22 V C -0.393 175.749 176.094 0.080 0.000 1.104 22 V CA -0.673 61.686 62.300 0.098 0.000 0.954 22 V CB 2.111 34.059 31.823 0.208 0.000 1.022 22 V HN 0.629 nan 8.190 nan 0.000 0.427 23 L N 4.417 125.704 121.223 0.107 0.000 2.333 23 L HA 0.655 4.995 4.340 0.001 0.000 0.280 23 L C -0.816 176.272 176.870 0.363 0.000 1.004 23 L CA -0.847 54.105 54.840 0.188 0.000 0.820 23 L CB 1.974 44.100 42.059 0.113 0.000 1.247 23 L HN 0.303 nan 8.230 nan 0.000 0.416 24 V N 2.057 122.116 119.914 0.242 0.000 2.347 24 V HA 0.440 4.561 4.120 0.001 0.000 0.280 24 V C 0.688 176.744 176.094 -0.063 0.000 1.021 24 V CA -0.523 61.831 62.300 0.090 0.000 0.847 24 V CB 1.428 33.166 31.823 -0.143 0.000 0.990 24 V HN 0.871 nan 8.190 nan 0.000 0.444 25 G N 4.151 112.774 108.800 -0.296 0.000 2.333 25 G HA2 0.529 4.490 3.960 0.001 0.000 0.290 25 G HA3 0.529 4.490 3.960 0.001 0.000 0.290 25 G C -0.374 174.228 174.900 -0.497 0.000 1.150 25 G CA -0.187 44.357 45.100 -0.928 0.000 0.895 25 G HN 0.940 nan 8.290 nan 0.000 0.444 26 V N 0.370 120.008 119.914 -0.459 0.000 2.680 26 V HA 0.885 5.006 4.120 0.001 0.000 0.309 26 V C -0.656 175.289 176.094 -0.248 0.000 1.052 26 V CA -1.376 60.760 62.300 -0.274 0.000 0.908 26 V CB 2.183 33.884 31.823 -0.204 0.000 1.001 26 V HN 0.619 nan 8.190 nan 0.000 0.431 27 K N 3.116 123.413 120.400 -0.170 0.000 2.601 27 K HA 0.322 4.643 4.320 0.001 0.000 0.249 27 K C -0.958 175.587 176.600 -0.091 0.000 0.966 27 K CA -0.156 56.052 56.287 -0.132 0.000 0.827 27 K CB 1.336 33.762 32.500 -0.123 0.000 1.178 27 K HN 1.008 nan 8.250 nan 0.000 0.437 28 D N 3.106 123.459 120.400 -0.079 0.000 2.870 28 D HA -0.173 4.468 4.640 0.001 0.000 0.228 28 D C 0.594 176.862 176.300 -0.054 0.000 1.147 28 D CA 1.790 55.755 54.000 -0.058 0.000 0.757 28 D CB -1.062 39.711 40.800 -0.046 0.000 1.091 28 D HN 1.120 nan 8.370 nan 0.000 0.429 29 G N -0.948 107.812 108.800 -0.067 0.000 2.159 29 G HA2 -0.324 3.637 3.960 0.001 0.000 0.256 29 G HA3 -0.324 3.637 3.960 0.001 0.000 0.256 29 G C 0.152 175.017 174.900 -0.058 0.000 0.977 29 G CA 0.613 45.676 45.100 -0.061 0.000 0.652 29 G HN 0.284 nan 8.290 nan 0.000 0.531 30 K N 0.346 120.709 120.400 -0.063 0.000 2.345 30 K HA 0.752 5.073 4.320 0.001 0.000 0.255 30 K C 0.304 176.860 176.600 -0.073 0.000 0.934 30 K CA -0.033 56.224 56.287 -0.050 0.000 0.801 30 K CB 1.834 34.314 32.500 -0.034 0.000 1.137 30 K HN 0.666 nan 8.250 nan 0.000 0.424 31 A N 2.005 124.791 122.820 -0.058 0.000 2.488 31 A HA 0.275 4.596 4.320 0.001 0.000 0.249 31 A C 1.030 178.583 177.584 -0.051 0.000 1.083 31 A CA -0.118 51.876 52.037 -0.071 0.000 0.768 31 A CB -0.014 18.968 19.000 -0.029 0.000 1.017 31 A HN 0.583 nan 8.150 nan 0.000 0.496 32 V N -1.065 118.794 119.914 -0.092 0.000 3.562 32 V HA 0.682 4.802 4.120 0.001 0.000 0.270 32 V C 0.489 176.561 176.094 -0.037 0.000 1.418 32 V CA 0.806 63.067 62.300 -0.065 0.000 1.033 32 V CB -0.883 30.883 31.823 -0.095 0.000 0.820 32 V HN 1.801 nan 8.190 nan 0.000 0.441 33 A N -0.190 122.600 122.820 -0.050 0.000 2.599 33 A HA 0.883 5.203 4.320 0.001 0.000 0.290 33 A C -1.653 176.022 177.584 0.151 0.000 1.101 33 A CA -0.343 51.722 52.037 0.047 0.000 0.674 33 A CB 2.052 21.083 19.000 0.052 0.000 1.277 33 A HN 0.612 nan 8.150 nan 0.000 0.419 34 I N -0.023 120.717 120.570 0.284 0.000 2.775 34 I HA 0.537 4.708 4.170 0.001 0.000 0.295 34 I C -1.219 175.066 176.117 0.281 0.000 1.287 34 I CA -0.325 61.176 61.300 0.336 0.000 1.029 34 I CB 2.180 40.329 38.000 0.248 0.000 1.282 34 I HN 1.023 nan 8.210 nan 0.000 0.426 35 Q N 5.149 125.076 119.800 0.212 0.000 2.553 35 Q HA 0.680 5.020 4.340 0.001 0.000 0.293 35 Q C -0.804 175.196 176.000 0.001 0.000 1.038 35 Q CA -1.081 54.736 55.803 0.024 0.000 0.777 35 Q CB 1.871 30.505 28.738 -0.174 0.000 1.487 35 Q HN 0.663 nan 8.270 nan 0.000 0.426 36 G N 0.411 109.187 108.800 -0.041 0.000 2.467 36 G HA2 0.136 4.097 3.960 0.001 0.000 0.257 36 G HA3 0.136 4.097 3.960 0.001 0.000 0.257 36 G C -0.650 174.203 174.900 -0.078 0.000 1.227 36 G CA -0.642 44.432 45.100 -0.043 0.000 0.835 36 G HN 0.715 nan 8.290 nan 0.000 0.556 37 N N 2.392 121.056 118.700 -0.061 0.000 2.427 37 N HA 0.105 4.846 4.740 0.001 0.000 0.269 37 N C -1.052 174.407 175.510 -0.085 0.000 1.235 37 N CA -1.441 51.566 53.050 -0.071 0.000 0.934 37 N CB 1.323 39.784 38.487 -0.043 0.000 1.121 37 N HN 0.178 nan 8.380 nan 0.000 0.480 38 P HA -0.109 nan 4.420 nan 0.000 0.225 38 P C -0.023 177.239 177.300 -0.062 0.000 1.148 38 P CA 1.128 64.177 63.100 -0.085 0.000 0.779 38 P CB 0.312 31.954 31.700 -0.098 0.000 0.780 39 N N -1.016 117.653 118.700 -0.053 0.000 2.236 39 N HA 0.034 4.775 4.740 0.001 0.000 0.196 39 N C 0.615 176.118 175.510 -0.012 0.000 1.114 39 N CA 0.072 53.104 53.050 -0.030 0.000 0.859 39 N CB 0.001 38.472 38.487 -0.026 0.000 0.982 39 N HN 0.148 nan 8.380 nan 0.000 0.493 40 N N 0.449 119.132 118.700 -0.029 0.000 2.478 40 N HA 0.007 4.747 4.740 0.001 0.000 0.275 40 N C 1.300 176.790 175.510 -0.033 0.000 1.221 40 N CA -0.197 52.843 53.050 -0.017 0.000 0.979 40 N CB 0.832 39.287 38.487 -0.054 0.000 1.202 40 N HN 0.177 nan 8.380 nan 0.000 0.564 41 H N 0.281 119.388 119.070 0.062 0.000 2.426 41 H HA -0.091 4.465 4.556 0.001 0.000 0.298 41 H C 1.189 176.542 175.328 0.042 0.000 1.107 41 H CA 2.123 58.214 56.048 0.072 0.000 1.298 41 H CB -0.294 29.560 29.762 0.154 0.000 1.377 41 H HN 0.556 nan 8.280 nan 0.000 0.519 42 N N 1.432 119.843 118.700 -0.481 0.000 2.512 42 N HA -0.096 4.645 4.740 0.001 0.000 0.183 42 N C 0.922 176.358 175.510 -0.123 0.000 1.073 42 N CA 1.004 53.894 53.050 -0.267 0.000 0.911 42 N CB -0.171 38.115 38.487 -0.334 0.000 0.964 42 N HN 0.725 nan 8.380 nan 0.000 0.447 43 A N -0.345 122.414 122.820 -0.101 0.000 2.869 43 A HA -0.019 4.301 4.320 0.001 0.000 0.280 43 A C 1.295 178.835 177.584 -0.073 0.000 1.458 43 A CA 1.456 53.454 52.037 -0.065 0.000 0.776 43 A CB -2.150 16.825 19.000 -0.041 0.000 1.028 43 A HN 1.457 nan 8.150 nan 0.000 0.547 44 G N -3.661 105.087 108.800 -0.087 0.000 2.179 44 G HA2 -0.073 3.888 3.960 0.001 0.000 0.260 44 G HA3 -0.073 3.888 3.960 0.001 0.000 0.260 44 G C -0.072 174.787 174.900 -0.068 0.000 0.977 44 G CA 0.569 45.619 45.100 -0.083 0.000 0.641 44 G HN 1.480 nan 8.290 nan 0.000 0.533 45 L N 0.513 121.697 121.223 -0.065 0.000 2.312 45 L HA 0.802 5.143 4.340 0.001 0.000 0.281 45 L C 0.553 177.397 176.870 -0.043 0.000 1.070 45 L CA -0.463 54.348 54.840 -0.050 0.000 0.805 45 L CB 1.401 43.431 42.059 -0.047 0.000 1.174 45 L HN 0.202 nan 8.230 nan 0.000 0.434 46 L N 2.154 123.362 121.223 -0.025 0.000 2.350 46 L HA 0.609 4.950 4.340 0.001 0.000 0.260 46 L C -0.122 176.741 176.870 -0.012 0.000 1.015 46 L CA -0.913 53.921 54.840 -0.010 0.000 0.821 46 L CB 2.202 44.267 42.059 0.009 0.000 1.370 46 L HN 0.739 nan 8.230 nan 0.000 0.416 47 C N -0.570 118.722 119.300 -0.013 0.000 2.478 47 C HA 0.400 4.861 4.460 0.001 0.000 0.379 47 C C 1.681 176.650 174.990 -0.035 0.000 1.470 47 C CA -0.735 58.267 59.018 -0.027 0.000 2.066 47 C CB 0.511 28.228 27.740 -0.038 0.000 2.001 47 C HN 0.841 nan 8.230 nan 0.000 0.550 48 L N 1.334 122.523 121.223 -0.057 0.000 2.042 48 L HA -0.091 4.250 4.340 0.001 0.000 0.210 48 L C 2.717 179.544 176.870 -0.071 0.000 1.076 48 L CA 1.895 56.698 54.840 -0.063 0.000 0.749 48 L CB -0.969 41.038 42.059 -0.086 0.000 0.893 48 L HN 0.814 nan 8.230 nan 0.000 0.432 49 K N -0.963 119.364 120.400 -0.122 0.000 2.001 49 K HA -0.194 4.127 4.320 0.001 0.000 0.214 49 K C 1.974 178.592 176.600 0.031 0.000 1.050 49 K CA 1.533 57.724 56.287 -0.159 0.000 0.934 49 K CB -0.894 31.373 32.500 -0.389 0.000 0.718 49 K HN 0.553 nan 8.250 nan 0.000 0.443 50 G N 0.661 109.489 108.800 0.047 0.000 2.476 50 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 50 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 50 G C 1.576 176.515 174.900 0.066 0.000 1.164 50 G CA 1.195 46.339 45.100 0.073 0.000 0.768 50 G HN 0.225 nan 8.290 nan 0.000 0.560 51 S N 0.226 115.953 115.700 0.045 0.000 2.399 51 S HA 0.030 4.501 4.470 0.001 0.000 0.231 51 S C 1.688 176.327 174.600 0.066 0.000 1.022 51 S CA 0.610 58.842 58.200 0.054 0.000 0.983 51 S CB -0.137 63.078 63.200 0.026 0.000 0.803 51 S HN 0.275 nan 8.310 nan 0.000 0.480 52 L N 1.518 122.771 121.223 0.051 0.000 2.912 52 L HA 0.229 4.570 4.340 0.001 0.000 0.240 52 L C 0.930 177.849 176.870 0.082 0.000 1.262 52 L CA -0.232 54.640 54.840 0.054 0.000 1.058 52 L CB 0.066 42.134 42.059 0.015 0.000 1.383 52 L HN 0.195 nan 8.230 nan 0.000 0.512 53 L N 0.227 121.507 121.223 0.096 0.000 2.240 53 L HA -0.073 4.268 4.340 0.001 0.000 0.211 53 L C 2.267 179.251 176.870 0.189 0.000 1.106 53 L CA 1.385 56.263 54.840 0.063 0.000 0.793 53 L CB -0.279 41.700 42.059 -0.132 0.000 0.927 53 L HN 0.243 nan 8.230 nan 0.000 0.446 54 I N 1.131 121.822 120.570 0.201 0.000 2.179 54 I HA -0.161 4.010 4.170 0.001 0.000 0.242 54 I C -0.170 176.047 176.117 0.168 0.000 1.088 54 I CA 1.256 62.681 61.300 0.209 0.000 1.357 54 I CB -2.779 35.311 38.000 0.150 0.000 1.051 54 I HN 0.180 nan 8.210 nan 0.000 0.409 55 P HA -0.103 nan 4.420 nan 0.000 0.218 55 P C 2.161 179.528 177.300 0.112 0.000 1.146 55 P CA 1.155 64.313 63.100 0.096 0.000 0.813 55 P CB -0.065 31.673 31.700 0.062 0.000 0.778 56 V N -0.095 119.901 119.914 0.136 0.000 2.323 56 V HA -0.180 3.941 4.120 0.001 0.000 0.244 56 V C 2.549 178.792 176.094 0.249 0.000 1.041 56 V CA 1.355 63.736 62.300 0.136 0.000 1.025 56 V CB -1.282 30.611 31.823 0.117 0.000 0.656 56 V HN 0.035 nan 8.190 nan 0.000 0.451 57 L N 0.737 122.209 121.223 0.417 0.000 2.191 57 L HA -0.080 4.261 4.340 0.001 0.000 0.212 57 L C 1.827 178.864 176.870 0.277 0.000 1.103 57 L CA 1.882 57.035 54.840 0.521 0.000 0.769 57 L CB -0.709 41.685 42.059 0.560 0.000 0.908 57 L HN 0.302 nan 8.230 nan 0.000 0.438 58 N N -1.171 117.644 118.700 0.191 0.000 2.299 58 N HA 0.041 4.782 4.740 0.001 0.000 0.187 58 N C 0.488 176.056 175.510 0.098 0.000 1.099 58 N CA 0.299 53.422 53.050 0.121 0.000 0.867 58 N CB 0.090 38.632 38.487 0.092 0.000 0.974 58 N HN 0.245 nan 8.380 nan 0.000 0.477 59 S N 0.941 116.709 115.700 0.114 0.000 2.558 59 S HA 0.010 4.481 4.470 0.001 0.000 0.288 59 S C 1.226 175.876 174.600 0.083 0.000 1.318 59 S CA 0.051 58.314 58.200 0.105 0.000 1.056 59 S CB 0.543 63.836 63.200 0.155 0.000 0.853 59 S HN 0.027 nan 8.310 nan 0.000 0.505 60 K N 2.900 123.340 120.400 0.066 0.000 2.393 60 K HA 0.112 4.433 4.320 0.001 0.000 0.193 60 K C 0.051 176.678 176.600 0.045 0.000 1.026 60 K CA 0.293 56.606 56.287 0.043 0.000 1.064 60 K CB 0.060 32.581 32.500 0.035 0.000 0.833 60 K HN 0.687 nan 8.250 nan 0.000 0.521 61 E N 2.314 122.564 120.200 0.084 0.000 1.999 61 E HA 0.048 4.399 4.350 0.001 0.000 0.296 61 E C -0.161 176.509 176.600 0.116 0.000 1.187 61 E CA 0.102 56.568 56.400 0.109 0.000 1.229 61 E CB 0.208 29.989 29.700 0.136 0.000 1.131 61 E HN -0.055 nan 8.360 nan 0.000 0.478 62 R N 0.562 121.056 120.500 -0.009 0.000 2.837 62 R HA 0.406 4.746 4.340 0.001 0.000 0.271 62 R C -0.786 175.452 176.300 -0.104 0.000 0.993 62 R CA -1.060 54.944 56.100 -0.159 0.000 0.931 62 R CB 1.913 32.088 30.300 -0.208 0.000 1.206 62 R HN 0.033 nan 8.270 nan 0.000 0.474 63 V N 2.211 122.039 119.914 -0.144 0.000 2.389 63 V HA 0.156 4.277 4.120 0.001 0.000 0.264 63 V C 1.190 177.248 176.094 -0.060 0.000 1.049 63 V CA 0.135 62.386 62.300 -0.082 0.000 0.932 63 V CB 0.801 32.578 31.823 -0.076 0.000 1.011 63 V HN 0.994 nan 8.190 nan 0.000 0.475 64 T N 0.771 115.307 114.554 -0.030 0.000 3.043 64 T HA 0.250 4.601 4.350 0.001 0.000 0.272 64 T C 0.253 174.973 174.700 0.035 0.000 0.990 64 T CA -0.242 61.864 62.100 0.011 0.000 0.897 64 T CB 0.145 69.019 68.868 0.010 0.000 1.111 64 T HN 0.697 nan 8.240 nan 0.000 0.529 65 Q N 0.306 120.094 119.800 -0.021 0.000 2.456 65 Q HA 0.697 5.038 4.340 0.001 0.000 0.284 65 Q C -3.437 172.447 176.000 -0.193 0.000 1.061 65 Q CA -2.673 53.090 55.803 -0.065 0.000 0.799 65 Q CB 1.619 30.334 28.738 -0.038 0.000 1.445 65 Q HN -0.080 nan 8.270 nan 0.000 0.411 66 P HA 0.223 nan 4.420 nan 0.000 0.275 66 P C -1.215 175.945 177.300 -0.233 0.000 1.228 66 P CA -0.311 62.523 63.100 -0.443 0.000 0.786 66 P CB 0.509 31.781 31.700 -0.713 0.000 0.927 67 L N 2.629 123.742 121.223 -0.182 0.000 2.354 67 L HA 0.644 4.985 4.340 0.001 0.000 0.264 67 L C -0.482 176.337 176.870 -0.084 0.000 1.008 67 L CA -0.748 54.027 54.840 -0.108 0.000 0.819 67 L CB 2.141 44.149 42.059 -0.084 0.000 1.339 67 L HN 0.111 nan 8.230 nan 0.000 0.420 68 V N 3.181 123.062 119.914 -0.055 0.000 2.709 68 V HA 0.587 4.707 4.120 0.001 0.000 0.308 68 V C -0.695 175.381 176.094 -0.031 0.000 1.062 68 V CA -0.736 61.547 62.300 -0.028 0.000 0.901 68 V CB 2.328 34.145 31.823 -0.010 0.000 1.003 68 V HN 0.791 nan 8.190 nan 0.000 0.425 69 R N 5.210 125.700 120.500 -0.017 0.000 2.247 69 R HA 0.426 4.767 4.340 0.001 0.000 0.329 69 R C 0.876 177.148 176.300 -0.047 0.000 1.014 69 R CA -0.704 55.380 56.100 -0.027 0.000 0.907 69 R CB 0.645 30.938 30.300 -0.012 0.000 1.146 69 R HN 0.697 nan 8.270 nan 0.000 0.499 70 R N 1.308 121.719 120.500 -0.149 0.000 2.091 70 R HA -0.063 4.277 4.340 0.001 0.000 0.238 70 R C 0.273 176.300 176.300 -0.454 0.000 1.136 70 R CA 1.394 57.279 56.100 -0.359 0.000 0.959 70 R CB -0.175 29.768 30.300 -0.595 0.000 0.856 70 R HN 0.610 nan 8.270 nan 0.000 0.437 71 H N -0.323 118.770 119.070 0.039 0.000 2.865 71 H HA 0.308 4.864 4.556 0.001 0.000 0.372 71 H C -0.060 175.286 175.328 0.031 0.000 1.173 71 H CA -0.992 55.078 56.048 0.036 0.000 1.147 71 H CB 1.256 31.032 29.762 0.022 0.000 1.805 71 H HN -0.289 nan 8.280 nan 0.000 0.553 72 K N 0.705 121.201 120.400 0.160 0.000 2.448 72 K HA 0.115 4.436 4.320 0.001 0.000 0.278 72 K C 1.244 177.881 176.600 0.062 0.000 1.009 72 K CA 0.971 57.312 56.287 0.090 0.000 0.995 72 K CB 0.340 32.886 32.500 0.077 0.000 0.917 72 K HN 1.039 nan 8.250 nan 0.000 0.481 73 G N 1.988 110.801 108.800 0.023 0.000 2.267 73 G HA2 -0.275 3.686 3.960 0.001 0.000 0.257 73 G HA3 -0.275 3.686 3.960 0.001 0.000 0.257 73 G C 0.668 175.571 174.900 0.005 0.000 0.998 73 G CA 0.350 45.450 45.100 -0.001 0.000 0.620 73 G HN 0.873 nan 8.290 nan 0.000 0.529 74 G N -0.066 108.755 108.800 0.034 0.000 2.684 74 G HA2 0.477 4.437 3.960 0.001 0.000 0.255 74 G HA3 0.477 4.437 3.960 0.001 0.000 0.255 74 G C 0.282 175.181 174.900 -0.001 0.000 1.219 74 G CA 0.120 45.240 45.100 0.033 0.000 0.901 74 G HN 0.557 nan 8.290 nan 0.000 0.548 75 K N -1.064 119.335 120.400 -0.001 0.000 2.219 75 K HA 0.252 4.573 4.320 0.001 0.000 0.258 75 K C -0.440 176.147 176.600 -0.023 0.000 1.008 75 K CA -0.503 55.775 56.287 -0.015 0.000 0.928 75 K CB 0.812 33.306 32.500 -0.010 0.000 0.983 75 K HN 0.127 nan 8.250 nan 0.000 0.484 76 L N 2.903 124.109 121.223 -0.029 0.000 2.276 76 L HA 0.168 4.509 4.340 0.001 0.000 0.286 76 L C -0.422 176.429 176.870 -0.032 0.000 1.061 76 L CA 0.370 55.190 54.840 -0.034 0.000 0.807 76 L CB 0.511 42.548 42.059 -0.037 0.000 1.177 76 L HN 0.686 nan 8.230 nan 0.000 0.429 77 E N 4.936 125.114 120.200 -0.036 0.000 2.343 77 E HA 0.618 4.969 4.350 0.001 0.000 0.270 77 E C -2.812 173.765 176.600 -0.039 0.000 0.895 77 E CA -2.510 53.871 56.400 -0.032 0.000 0.767 77 E CB 1.348 31.032 29.700 -0.026 0.000 1.248 77 E HN 0.244 nan 8.360 nan 0.000 0.440 78 P HA 0.001 nan 4.420 nan 0.000 0.266 78 P C -0.990 176.285 177.300 -0.041 0.000 1.195 78 P CA -0.191 62.884 63.100 -0.043 0.000 0.768 78 P CB 0.725 32.409 31.700 -0.026 0.000 0.838 79 V N 2.093 121.971 119.914 -0.060 0.000 3.012 79 V HA 0.469 4.589 4.120 0.001 0.000 0.307 79 V C -0.203 175.856 176.094 -0.058 0.000 1.166 79 V CA -0.614 61.658 62.300 -0.046 0.000 0.974 79 V CB 2.289 34.084 31.823 -0.047 0.000 1.040 79 V HN 0.650 nan 8.190 nan 0.000 0.428 80 S N 4.097 119.794 115.700 -0.006 0.000 2.600 80 S HA 0.136 4.607 4.470 0.001 0.000 0.265 80 S C 0.627 175.261 174.600 0.056 0.000 1.325 80 S CA 0.619 58.843 58.200 0.040 0.000 1.002 80 S CB 0.640 63.888 63.200 0.080 0.000 0.921 80 S HN 0.795 nan 8.310 nan 0.000 0.554 81 W N 1.088 122.412 121.300 0.040 0.000 2.355 81 W HA -0.050 4.611 4.660 0.001 0.000 0.309 81 W C 1.996 178.550 176.519 0.058 0.000 1.206 81 W CA 1.352 58.726 57.345 0.048 0.000 1.284 81 W CB -0.309 29.177 29.460 0.043 0.000 1.145 81 W HN 0.749 nan 8.180 nan 0.000 0.502 82 D N -0.331 120.252 120.400 0.305 0.000 2.123 82 D HA -0.236 4.405 4.640 0.001 0.000 0.196 82 D C 1.796 178.192 176.300 0.160 0.000 0.992 82 D CA 1.764 55.887 54.000 0.205 0.000 0.833 82 D CB -0.679 40.206 40.800 0.141 0.000 0.954 82 D HN 0.304 nan 8.370 nan 0.000 0.455 83 E N 0.380 120.654 120.200 0.122 0.000 2.051 83 E HA -0.187 4.163 4.350 0.001 0.000 0.192 83 E C 2.015 178.676 176.600 0.102 0.000 0.991 83 E CA 1.185 57.639 56.400 0.090 0.000 0.799 83 E CB -0.063 29.672 29.700 0.058 0.000 0.748 83 E HN 0.176 nan 8.360 nan 0.000 0.449 84 A N 0.891 123.762 122.820 0.086 0.000 1.917 84 A HA -0.194 4.127 4.320 0.001 0.000 0.219 84 A C 2.206 179.893 177.584 0.172 0.000 1.182 84 A CA 1.459 53.541 52.037 0.075 0.000 0.633 84 A CB -0.702 18.244 19.000 -0.090 0.000 0.819 84 A HN 0.344 nan 8.150 nan 0.000 0.448 85 L N -0.922 120.444 121.223 0.239 0.000 2.156 85 L HA -0.123 4.218 4.340 0.001 0.000 0.208 85 L C 1.992 179.017 176.870 0.257 0.000 1.095 85 L CA 1.099 56.117 54.840 0.296 0.000 0.770 85 L CB -0.461 41.795 42.059 0.328 0.000 0.914 85 L HN 0.276 nan 8.230 nan 0.000 0.439 86 D N -0.056 120.458 120.400 0.190 0.000 2.117 86 D HA -0.164 4.476 4.640 0.001 0.000 0.198 86 D C 2.039 178.426 176.300 0.145 0.000 0.982 86 D CA 0.953 55.041 54.000 0.147 0.000 0.828 86 D CB -0.108 40.754 40.800 0.102 0.000 0.967 86 D HN 0.097 nan 8.370 nan 0.000 0.464 87 L N 0.354 121.662 121.223 0.142 0.000 2.042 87 L HA -0.107 4.234 4.340 0.001 0.000 0.210 87 L C 2.201 179.183 176.870 0.188 0.000 1.076 87 L CA 1.563 56.470 54.840 0.112 0.000 0.749 87 L CB -0.473 41.665 42.059 0.132 0.000 0.893 87 L HN 0.015 nan 8.230 nan 0.000 0.432 88 M N -1.251 118.562 119.600 0.355 0.000 2.067 88 M HA -0.186 4.295 4.480 0.001 0.000 0.260 88 M C 2.230 178.902 176.300 0.620 0.000 1.069 88 M CA 2.075 57.703 55.300 0.547 0.000 1.117 88 M CB -0.221 32.604 32.600 0.375 0.000 1.334 88 M HN 0.385 nan 8.290 nan 0.000 0.407 89 A N -0.006 123.112 122.820 0.497 0.000 1.883 89 A HA -0.216 4.105 4.320 0.001 0.000 0.217 89 A C 2.216 179.935 177.584 0.225 0.000 1.186 89 A CA 2.551 54.793 52.037 0.342 0.000 0.624 89 A CB -1.248 17.860 19.000 0.181 0.000 0.822 89 A HN 0.728 nan 8.150 nan 0.000 0.444 90 S N -0.868 114.924 115.700 0.153 0.000 2.402 90 S HA -0.130 4.341 4.470 0.001 0.000 0.229 90 S C 2.058 176.676 174.600 0.029 0.000 1.021 90 S CA 1.017 59.255 58.200 0.063 0.000 0.974 90 S CB -0.362 62.852 63.200 0.024 0.000 0.800 90 S HN 0.509 nan 8.310 nan 0.000 0.484 91 R N 0.058 120.566 120.500 0.014 0.000 2.073 91 R HA 0.165 4.506 4.340 0.001 0.000 0.229 91 R C 1.986 178.286 176.300 -0.000 0.000 1.120 91 R CA 1.172 57.193 56.100 -0.132 0.000 0.967 91 R CB -1.078 28.867 30.300 -0.591 0.000 0.862 91 R HN 0.543 nan 8.270 nan 0.000 0.436 92 F N 0.718 120.703 119.950 0.059 0.000 2.113 92 F HA -0.151 4.377 4.527 0.001 0.000 0.297 92 F C 2.753 178.462 175.800 -0.152 0.000 1.103 92 F CA 1.311 59.328 58.000 0.029 0.000 1.248 92 F CB -0.167 38.947 39.000 0.190 0.000 0.999 92 F HN -0.058 nan 8.300 nan 0.000 0.475 93 R N 0.055 120.585 120.500 0.051 0.000 2.096 93 R HA -0.150 4.191 4.340 0.001 0.000 0.235 93 R C 2.373 178.639 176.300 -0.056 0.000 1.127 93 R CA 1.700 57.767 56.100 -0.055 0.000 0.968 93 R CB -0.834 29.453 30.300 -0.022 0.000 0.861 93 R HN 0.131 nan 8.270 nan 0.000 0.440 94 S N -0.888 114.789 115.700 -0.037 0.000 2.383 94 S HA -0.102 4.369 4.470 0.001 0.000 0.227 94 S C 1.988 176.558 174.600 -0.051 0.000 1.026 94 S CA 1.515 59.683 58.200 -0.054 0.000 0.981 94 S CB -0.497 62.675 63.200 -0.047 0.000 0.818 94 S HN 0.490 nan 8.310 nan 0.000 0.472 95 S N 0.554 116.249 115.700 -0.008 0.000 2.356 95 S HA -0.042 4.429 4.470 0.001 0.000 0.223 95 S C 1.716 176.362 174.600 0.075 0.000 1.032 95 S CA 1.462 59.730 58.200 0.113 0.000 1.005 95 S CB -0.490 62.710 63.200 0.000 0.000 0.867 95 S HN 0.563 nan 8.310 nan 0.000 0.449 96 I N 1.533 122.081 120.570 -0.037 0.000 2.090 96 I HA -0.191 3.980 4.170 0.001 0.000 0.236 96 I C 2.169 178.253 176.117 -0.055 0.000 1.064 96 I CA 1.517 62.789 61.300 -0.047 0.000 1.324 96 I CB -0.594 37.331 38.000 -0.126 0.000 1.044 96 I HN 0.198 nan 8.210 nan 0.000 0.399 97 D N 0.413 120.763 120.400 -0.082 0.000 2.248 97 D HA -0.247 4.393 4.640 0.001 0.000 0.191 97 D C 2.080 178.279 176.300 -0.169 0.000 1.013 97 D CA 1.685 55.624 54.000 -0.102 0.000 0.883 97 D CB -0.182 40.559 40.800 -0.099 0.000 0.915 97 D HN 0.255 nan 8.370 nan 0.000 0.448 98 M N -1.568 117.853 119.600 -0.298 0.000 2.299 98 M HA -0.017 4.464 4.480 0.001 0.000 0.264 98 M C 1.280 177.228 176.300 -0.588 0.000 1.095 98 M CA 1.135 56.074 55.300 -0.601 0.000 1.165 98 M CB -0.351 31.576 32.600 -1.122 0.000 1.349 98 M HN 0.118 nan 8.290 nan 0.000 0.446 99 Y N -0.247 120.039 120.300 -0.023 0.000 2.527 99 Y HA 0.534 5.085 4.550 0.001 0.000 0.247 99 Y C 1.136 177.036 175.900 -0.000 0.000 1.138 99 Y CA -0.118 57.974 58.100 -0.013 0.000 1.228 99 Y CB -0.074 38.374 38.460 -0.021 0.000 1.252 99 Y HN 0.345 nan 8.280 nan 0.000 0.531 100 G N 1.316 110.173 108.800 0.094 0.000 2.690 100 G HA2 -0.171 3.790 3.960 0.001 0.000 0.686 100 G HA3 -0.171 3.790 3.960 0.001 0.000 0.686 100 G C -1.993 172.963 174.900 0.093 0.000 1.277 100 G CA -0.634 44.512 45.100 0.078 0.000 0.799 100 G HN -0.041 nan 8.290 nan 0.000 0.613 101 P HA -0.156 nan 4.420 nan 0.000 0.217 101 P C 1.350 178.754 177.300 0.173 0.000 1.148 101 P CA 1.538 64.715 63.100 0.130 0.000 0.834 101 P CB -0.031 31.765 31.700 0.160 0.000 0.783 102 N N -0.477 118.314 118.700 0.152 0.000 2.571 102 N HA -0.055 4.686 4.740 0.001 0.000 0.189 102 N C 1.502 177.131 175.510 0.199 0.000 1.154 102 N CA 0.898 54.052 53.050 0.173 0.000 0.907 102 N CB -0.569 37.983 38.487 0.107 0.000 0.977 102 N HN 0.305 nan 8.380 nan 0.000 0.449 103 S N -0.870 114.915 115.700 0.142 0.000 2.522 103 S HA 0.016 4.487 4.470 0.001 0.000 0.227 103 S C 0.975 175.599 174.600 0.041 0.000 0.986 103 S CA -0.089 58.152 58.200 0.069 0.000 0.929 103 S CB -0.462 62.782 63.200 0.073 0.000 0.769 103 S HN 0.094 nan 8.310 nan 0.000 0.529 104 V N -2.404 117.598 119.914 0.147 0.000 3.019 104 V HA 1.001 5.121 4.120 0.001 0.000 0.317 104 V C -0.474 175.891 176.094 0.451 0.000 1.094 104 V CA -0.727 61.718 62.300 0.243 0.000 1.000 104 V CB 1.221 33.227 31.823 0.305 0.000 1.060 104 V HN 0.554 nan 8.190 nan 0.000 0.443 105 A N 2.238 125.381 122.820 0.537 0.000 2.604 105 A HA 0.701 5.022 4.320 0.001 0.000 0.295 105 A C -1.690 175.949 177.584 0.091 0.000 1.067 105 A CA -0.527 51.676 52.037 0.277 0.000 0.683 105 A CB 1.807 20.871 19.000 0.106 0.000 1.281 105 A HN 1.680 nan 8.150 nan 0.000 0.407 106 W N 2.502 123.524 121.300 -0.465 0.000 2.532 106 W HA 0.620 5.281 4.660 0.001 0.000 0.321 106 W C -2.469 174.014 176.519 -0.061 0.000 1.037 106 W CA -0.609 56.465 57.345 -0.453 0.000 1.220 106 W CB 1.596 30.533 29.460 -0.871 0.000 1.361 106 W HN 0.759 nan 8.180 nan 0.000 0.468 107 Y N 6.256 126.199 120.300 -0.595 0.000 2.555 107 Y HA 0.502 5.053 4.550 0.001 0.000 0.326 107 Y C 0.131 175.623 175.900 -0.681 0.000 0.984 107 Y CA -0.291 57.563 58.100 -0.411 0.000 1.298 107 Y CB 0.610 39.018 38.460 -0.086 0.000 1.094 107 Y HN 0.461 nan 8.280 nan 0.000 0.500 108 G N 1.448 109.659 108.800 -0.982 0.000 3.039 108 G HA2 0.564 4.525 3.960 0.001 0.000 0.159 108 G HA3 0.564 4.525 3.960 0.001 0.000 0.159 108 G C -1.229 173.433 174.900 -0.397 0.000 1.284 108 G CA -0.742 43.964 45.100 -0.657 0.000 0.996 108 G HN 0.524 nan 8.290 nan 0.000 0.592 109 S N -2.390 113.270 115.700 -0.067 0.000 2.548 109 S HA 0.472 4.943 4.470 0.001 0.000 0.278 109 S C 0.736 175.387 174.600 0.086 0.000 1.150 109 S CA 0.411 58.602 58.200 -0.014 0.000 0.907 109 S CB 1.156 64.365 63.200 0.015 0.000 1.108 109 S HN 1.255 nan 8.310 nan 0.000 0.459 110 G N 1.875 110.723 108.800 0.081 0.000 2.708 110 G HA2 -0.012 3.949 3.960 0.001 0.000 0.210 110 G HA3 -0.012 3.949 3.960 0.001 0.000 0.210 110 G C 0.724 175.665 174.900 0.069 0.000 1.141 110 G CA 0.433 45.590 45.100 0.094 0.000 0.788 110 G HN 0.725 nan 8.290 nan 0.000 0.531 111 Q N -1.013 118.861 119.800 0.123 0.000 2.378 111 Q HA 0.138 4.479 4.340 0.001 0.000 0.216 111 Q C 0.885 177.052 176.000 0.278 0.000 0.892 111 Q CA -0.325 55.566 55.803 0.146 0.000 0.931 111 Q CB 0.641 29.513 28.738 0.224 0.000 1.086 111 Q HN 0.400 nan 8.270 nan 0.000 0.528 112 C N 1.728 121.174 119.300 0.244 0.000 2.679 112 C HA 0.080 4.541 4.460 0.001 0.000 0.417 112 C C 0.938 176.125 174.990 0.328 0.000 1.302 112 C CA -0.753 58.427 59.018 0.270 0.000 1.973 112 C CB -0.520 27.377 27.740 0.261 0.000 2.715 112 C HN 0.390 nan 8.230 nan 0.000 0.628 113 L N 2.414 123.794 121.223 0.262 0.000 2.473 113 L HA 0.089 4.430 4.340 0.001 0.000 0.268 113 L C 1.731 178.705 176.870 0.173 0.000 1.215 113 L CA 0.126 55.086 54.840 0.200 0.000 0.823 113 L CB 0.148 42.226 42.059 0.031 0.000 1.099 113 L HN 0.814 nan 8.230 nan 0.000 0.483 114 T N -0.168 114.487 114.554 0.168 0.000 2.833 114 T HA -0.145 4.206 4.350 0.001 0.000 0.269 114 T C 1.542 176.313 174.700 0.119 0.000 1.054 114 T CA 1.467 63.664 62.100 0.161 0.000 1.135 114 T CB -0.084 68.934 68.868 0.251 0.000 0.869 114 T HN 0.542 nan 8.240 nan 0.000 0.466 115 E N 1.106 121.374 120.200 0.113 0.000 2.106 115 E HA -0.065 4.286 4.350 0.001 0.000 0.192 115 E C 2.266 178.871 176.600 0.009 0.000 0.984 115 E CA 0.892 57.318 56.400 0.043 0.000 0.806 115 E CB -0.105 29.599 29.700 0.008 0.000 0.750 115 E HN 0.574 nan 8.360 nan 0.000 0.458 116 E N 0.183 120.407 120.200 0.040 0.000 2.047 116 E HA -0.109 4.242 4.350 0.001 0.000 0.191 116 E C 2.075 178.669 176.600 -0.009 0.000 0.987 116 E CA 1.213 57.640 56.400 0.046 0.000 0.799 116 E CB -0.057 29.722 29.700 0.131 0.000 0.752 116 E HN 0.043 nan 8.360 nan 0.000 0.449 117 S N 0.074 115.796 115.700 0.036 0.000 2.402 117 S HA -0.152 4.319 4.470 0.001 0.000 0.229 117 S C 1.662 176.168 174.600 -0.157 0.000 1.021 117 S CA 0.760 58.947 58.200 -0.022 0.000 0.974 117 S CB -0.243 62.997 63.200 0.067 0.000 0.800 117 S HN 0.342 nan 8.310 nan 0.000 0.484 118 Y N 2.218 122.366 120.300 -0.254 0.000 2.163 118 Y HA -0.124 4.427 4.550 0.001 0.000 0.288 118 Y C 2.147 177.867 175.900 -0.300 0.000 1.136 118 Y CA 1.130 59.032 58.100 -0.330 0.000 1.147 118 Y CB -0.500 37.723 38.460 -0.395 0.000 0.987 118 Y HN 0.021 nan 8.280 nan 0.000 0.509 119 V N 0.496 120.359 119.914 -0.085 0.000 2.295 119 V HA -0.308 3.812 4.120 0.001 0.000 0.246 119 V C 2.683 178.590 176.094 -0.312 0.000 1.049 119 V CA 1.832 64.045 62.300 -0.144 0.000 1.024 119 V CB -1.620 30.169 31.823 -0.056 0.000 0.648 119 V HN 0.550 nan 8.190 nan 0.000 0.447 120 A N -0.071 122.479 122.820 -0.452 0.000 1.933 120 A HA -0.284 4.037 4.320 0.001 0.000 0.218 120 A C 2.202 179.474 177.584 -0.519 0.000 1.175 120 A CA 2.147 53.743 52.037 -0.735 0.000 0.628 120 A CB -0.864 16.986 19.000 -1.916 0.000 0.814 120 A HN 0.634 nan 8.150 nan 0.000 0.444 121 N N -0.586 117.818 118.700 -0.493 0.000 2.120 121 N HA -0.191 4.550 4.740 0.001 0.000 0.188 121 N C 1.918 177.257 175.510 -0.285 0.000 1.024 121 N CA 1.621 54.488 53.050 -0.305 0.000 0.852 121 N CB -0.137 38.183 38.487 -0.277 0.000 1.003 121 N HN 0.601 nan 8.380 nan 0.000 0.424 122 K N 0.874 120.934 120.400 -0.567 0.000 2.025 122 K HA -0.035 4.286 4.320 0.001 0.000 0.207 122 K C 2.186 178.418 176.600 -0.613 0.000 1.049 122 K CA 0.753 56.480 56.287 -0.933 0.000 0.933 122 K CB -0.036 31.727 32.500 -1.228 0.000 0.714 122 K HN 0.124 nan 8.250 nan 0.000 0.438 123 I N 0.384 120.661 120.570 -0.488 0.000 2.118 123 I HA -0.311 3.860 4.170 0.001 0.000 0.241 123 I C 2.013 177.694 176.117 -0.727 0.000 1.070 123 I CA 1.570 62.506 61.300 -0.606 0.000 1.327 123 I CB -0.295 37.389 38.000 -0.526 0.000 1.034 123 I HN 0.142 nan 8.210 nan 0.000 0.405 124 F N 0.852 120.556 119.950 -0.410 0.000 2.098 124 F HA -0.145 4.383 4.527 0.002 0.000 0.294 124 F C 2.576 178.357 175.800 -0.033 0.000 1.107 124 F CA 1.511 59.441 58.000 -0.117 0.000 1.234 124 F CB -0.303 38.758 39.000 0.101 0.000 1.002 124 F HN -0.174 nan 8.300 nan 0.000 0.472 125 K N -0.576 119.899 120.400 0.126 0.000 2.103 125 K HA -0.000 4.320 4.320 0.001 0.000 0.204 125 K C 2.203 178.875 176.600 0.120 0.000 1.052 125 K CA 1.175 57.556 56.287 0.157 0.000 0.945 125 K CB -0.534 32.093 32.500 0.211 0.000 0.722 125 K HN 0.333 nan 8.250 nan 0.000 0.443 126 G N -0.215 108.580 108.800 -0.008 0.000 2.656 126 G HA2 -0.009 3.951 3.960 0.001 0.000 0.211 126 G HA3 -0.009 3.951 3.960 0.001 0.000 0.211 126 G C 1.300 176.136 174.900 -0.107 0.000 1.137 126 G CA 0.451 45.552 45.100 0.001 0.000 0.802 126 G HN 0.358 nan 8.290 nan 0.000 0.527 127 G N 0.587 109.230 108.800 -0.261 0.000 2.508 127 G HA2 0.070 4.031 3.960 0.001 0.000 0.212 127 G HA3 0.070 4.031 3.960 0.001 0.000 0.212 127 G C 1.456 176.267 174.900 -0.149 0.000 1.206 127 G CA 0.169 45.067 45.100 -0.336 0.000 0.822 127 G HN 0.347 nan 8.290 nan 0.000 0.550 128 F N 0.763 120.644 119.950 -0.114 0.000 2.367 128 F HA 0.231 4.759 4.527 0.001 0.000 0.298 128 F C 2.162 177.972 175.800 0.016 0.000 1.094 128 F CA 0.361 58.323 58.000 -0.063 0.000 1.409 128 F CB 0.400 39.348 39.000 -0.087 0.000 1.064 128 F HN 0.349 nan 8.300 nan 0.000 0.528 129 G N 1.191 110.114 108.800 0.204 0.000 2.142 129 G HA2 -0.234 3.726 3.960 0.001 0.000 0.225 129 G HA3 -0.234 3.726 3.960 0.001 0.000 0.225 129 G C -0.013 174.999 174.900 0.186 0.000 1.015 129 G CA 0.280 45.477 45.100 0.163 0.000 0.716 129 G HN 0.351 nan 8.290 nan 0.000 0.508 130 T N -0.636 114.072 114.554 0.257 0.000 2.863 130 T HA 0.584 4.935 4.350 0.001 0.000 0.285 130 T C 0.752 175.611 174.700 0.264 0.000 1.009 130 T CA -0.409 61.849 62.100 0.263 0.000 0.989 130 T CB 0.782 69.861 68.868 0.352 0.000 1.004 130 T HN 0.038 nan 8.240 nan 0.000 0.455 131 N N 3.595 122.407 118.700 0.186 0.000 2.276 131 N HA 0.087 4.828 4.740 0.001 0.000 0.212 131 N C -0.103 175.512 175.510 0.175 0.000 1.127 131 N CA -0.047 53.102 53.050 0.166 0.000 0.834 131 N CB -0.061 38.495 38.487 0.116 0.000 1.014 131 N HN 0.629 nan 8.380 nan 0.000 0.491 132 N N 0.791 119.623 118.700 0.221 0.000 2.814 132 N HA 0.064 4.805 4.740 0.001 0.000 0.304 132 N C -0.981 174.645 175.510 0.192 0.000 1.211 132 N CA 0.074 53.266 53.050 0.237 0.000 1.158 132 N CB 0.297 38.967 38.487 0.306 0.000 1.458 132 N HN -0.140 nan 8.380 nan 0.000 0.519 133 V N 0.843 120.870 119.914 0.189 0.000 2.482 133 V HA 0.366 4.486 4.120 0.001 0.000 0.295 133 V C -0.415 175.827 176.094 0.246 0.000 1.026 133 V CA -0.688 61.730 62.300 0.196 0.000 0.856 133 V CB 2.005 33.905 31.823 0.128 0.000 1.001 133 V HN 0.334 nan 8.190 nan 0.000 0.424 134 D N 1.825 122.401 120.400 0.295 0.000 2.825 134 D HA 0.892 5.533 4.640 0.001 0.000 0.327 134 D C -0.131 176.287 176.300 0.197 0.000 1.277 134 D CA 0.464 54.636 54.000 0.287 0.000 0.950 134 D CB 2.398 43.406 40.800 0.347 0.000 1.438 134 D HN 0.890 nan 8.370 nan 0.000 0.526 135 G N -0.757 108.127 108.800 0.141 0.000 2.441 135 G HA2 0.240 4.201 3.960 0.001 0.000 0.294 135 G HA3 0.240 4.201 3.960 0.001 0.000 0.294 135 G C -0.308 174.554 174.900 -0.064 0.000 1.393 135 G CA -0.232 44.745 45.100 -0.204 0.000 0.796 135 G HN 0.472 nan 8.290 nan 0.000 0.494 136 N N -0.555 118.034 118.700 -0.185 0.000 2.512 136 N HA 0.043 4.783 4.740 0.001 0.000 0.183 136 N C -0.906 174.638 175.510 0.055 0.000 1.073 136 N CA 0.746 53.785 53.050 -0.017 0.000 0.911 136 N CB -0.802 37.643 38.487 -0.071 0.000 0.964 136 N HN 0.243 nan 8.380 nan 0.000 0.447 137 P HA -0.067 nan 4.420 nan 0.000 0.222 137 P C 1.358 178.737 177.300 0.133 0.000 1.147 137 P CA 0.907 64.073 63.100 0.110 0.000 0.790 137 P CB -0.033 31.743 31.700 0.126 0.000 0.780 138 R N 0.273 120.865 120.500 0.153 0.000 2.170 138 R HA -0.102 4.238 4.340 0.001 0.000 0.242 138 R C 1.710 178.090 176.300 0.133 0.000 1.145 138 R CA 1.243 57.439 56.100 0.161 0.000 0.984 138 R CB -1.017 29.410 30.300 0.211 0.000 0.869 138 R HN 0.186 nan 8.270 nan 0.000 0.455 139 L N -1.435 119.873 121.223 0.141 0.000 2.591 139 L HA 0.054 4.394 4.340 0.001 0.000 0.228 139 L C 1.792 178.759 176.870 0.161 0.000 1.133 139 L CA -0.070 54.878 54.840 0.180 0.000 0.880 139 L CB 0.225 42.395 42.059 0.184 0.000 1.033 139 L HN 0.361 nan 8.230 nan 0.000 0.450 140 C N -1.201 118.169 119.300 0.117 0.000 3.024 140 C HA 0.181 4.642 4.460 0.001 0.000 0.344 140 C C 1.865 176.932 174.990 0.129 0.000 2.031 140 C CA -0.114 58.967 59.018 0.105 0.000 1.998 140 C CB 0.451 28.242 27.740 0.086 0.000 1.929 140 C HN 0.299 nan 8.230 nan 0.000 0.660 141 M N 1.621 121.306 119.600 0.141 0.000 2.428 141 M HA 0.299 4.780 4.480 0.001 0.000 0.239 141 M C 1.853 178.260 176.300 0.178 0.000 1.121 141 M CA 0.825 56.224 55.300 0.165 0.000 1.019 141 M CB -1.239 31.464 32.600 0.172 0.000 1.485 141 M HN 0.534 nan 8.290 nan 0.000 0.484 142 A N -0.259 122.652 122.820 0.153 0.000 2.019 142 A HA -0.077 4.244 4.320 0.001 0.000 0.219 142 A C 2.408 180.069 177.584 0.128 0.000 1.164 142 A CA 1.791 53.917 52.037 0.148 0.000 0.644 142 A CB -0.500 18.569 19.000 0.114 0.000 0.805 142 A HN 0.419 nan 8.150 nan 0.000 0.449 143 S N -0.450 115.317 115.700 0.113 0.000 2.402 143 S HA 0.057 4.528 4.470 0.001 0.000 0.229 143 S C 2.167 176.863 174.600 0.160 0.000 1.021 143 S CA 0.964 59.221 58.200 0.095 0.000 0.974 143 S CB -0.226 63.017 63.200 0.070 0.000 0.800 143 S HN 0.773 nan 8.310 nan 0.000 0.484 144 A N 0.802 123.758 122.820 0.227 0.000 1.970 144 A HA 0.095 4.415 4.320 0.001 0.000 0.216 144 A C 2.218 180.015 177.584 0.356 0.000 1.170 144 A CA 0.735 52.952 52.037 0.299 0.000 0.645 144 A CB -0.540 18.654 19.000 0.323 0.000 0.816 144 A HN 0.325 nan 8.150 nan 0.000 0.447 145 V N 0.089 120.199 119.914 0.326 0.000 2.261 145 V HA -0.180 3.941 4.120 0.001 0.000 0.246 145 V C 2.859 179.138 176.094 0.309 0.000 1.047 145 V CA 2.025 64.535 62.300 0.351 0.000 1.015 145 V CB -1.499 30.499 31.823 0.292 0.000 0.642 145 V HN 0.564 nan 8.190 nan 0.000 0.446 146 G N 0.078 109.006 108.800 0.214 0.000 2.446 146 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 146 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 146 G C 1.641 176.629 174.900 0.147 0.000 1.168 146 G CA 1.064 46.249 45.100 0.142 0.000 0.771 146 G HN 0.598 nan 8.290 nan 0.000 0.551 147 G N -0.353 108.551 108.800 0.173 0.000 2.418 147 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 147 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 147 G C 1.648 176.728 174.900 0.301 0.000 1.158 147 G CA 0.858 46.082 45.100 0.207 0.000 0.771 147 G HN 0.511 nan 8.290 nan 0.000 0.545 148 Y N -0.257 120.271 120.300 0.381 0.000 2.263 148 Y HA -0.048 4.502 4.550 0.001 0.000 0.292 148 Y C 3.003 179.077 175.900 0.291 0.000 1.130 148 Y CA 0.426 58.722 58.100 0.327 0.000 1.179 148 Y CB 0.147 38.778 38.460 0.286 0.000 0.998 148 Y HN 0.070 nan 8.280 nan 0.000 0.532 149 V N -0.445 119.704 119.914 0.392 0.000 2.407 149 V HA -0.249 3.871 4.120 0.001 0.000 0.245 149 V C 2.403 178.631 176.094 0.223 0.000 1.041 149 V CA 2.289 64.767 62.300 0.296 0.000 1.040 149 V CB -0.836 31.145 31.823 0.262 0.000 0.671 149 V HN 0.603 nan 8.190 nan 0.000 0.455 150 T N -3.076 111.574 114.554 0.160 0.000 2.857 150 T HA -0.128 4.223 4.350 0.001 0.000 0.266 150 T C 1.948 176.844 174.700 0.327 0.000 1.048 150 T CA 1.667 63.843 62.100 0.127 0.000 1.139 150 T CB -0.290 68.425 68.868 -0.255 0.000 0.874 150 T HN 0.358 nan 8.240 nan 0.000 0.455 151 S N 0.442 116.240 115.700 0.164 0.000 2.395 151 S HA 0.272 4.743 4.470 0.001 0.000 0.225 151 S C 1.080 175.315 174.600 -0.609 0.000 1.027 151 S CA 0.609 58.712 58.200 -0.162 0.000 0.965 151 S CB -0.252 62.709 63.200 -0.399 0.000 0.812 151 S HN 0.604 nan 8.310 nan 0.000 0.482 152 F N -0.654 119.291 119.950 -0.009 0.000 2.834 152 F HA 0.362 4.890 4.527 0.001 0.000 0.332 152 F C 1.754 177.506 175.800 -0.080 0.000 1.056 152 F CA 0.245 58.171 58.000 -0.123 0.000 1.178 152 F CB 0.608 39.553 39.000 -0.092 0.000 1.037 152 F HN 0.267 nan 8.300 nan 0.000 0.580 153 G N 0.409 109.320 108.800 0.186 0.000 2.199 153 G HA2 -0.211 3.749 3.960 0.001 0.000 0.254 153 G HA3 -0.211 3.749 3.960 0.001 0.000 0.254 153 G C 0.151 175.187 174.900 0.226 0.000 0.982 153 G CA 0.020 45.222 45.100 0.170 0.000 0.632 153 G HN 0.135 nan 8.290 nan 0.000 0.529 154 K N 0.216 120.781 120.400 0.274 0.000 2.508 154 K HA 0.501 4.822 4.320 0.001 0.000 0.260 154 K C -1.063 175.729 176.600 0.320 0.000 0.949 154 K CA -0.839 55.634 56.287 0.310 0.000 0.834 154 K CB 2.082 34.755 32.500 0.287 0.000 1.365 154 K HN 0.129 nan 8.250 nan 0.000 0.437 155 D N 1.583 122.197 120.400 0.357 0.000 2.383 155 D HA 0.235 4.876 4.640 0.001 0.000 0.248 155 D C -0.718 175.624 176.300 0.070 0.000 1.170 155 D CA 0.862 55.050 54.000 0.313 0.000 0.977 155 D CB 0.639 41.692 40.800 0.421 0.000 1.120 155 D HN 0.356 nan 8.370 nan 0.000 0.481 156 E N -0.873 119.227 120.200 -0.165 0.000 8.070 156 E HA -0.091 4.260 4.350 0.001 0.000 0.467 156 E C -2.491 173.469 176.600 -1.066 0.000 0.799 156 E CA -0.327 55.834 56.400 -0.397 0.000 1.432 156 E CB -1.515 28.185 29.700 -0.000 0.000 0.984 156 E HN 0.349 nan 8.360 nan 0.000 0.262 157 P HA -0.001 nan 4.420 nan 0.000 0.269 157 P C 1.194 178.061 177.300 -0.723 0.000 1.211 157 P CA 0.147 62.675 63.100 -0.953 0.000 0.781 157 P CB 0.292 31.327 31.700 -1.108 0.000 0.877 158 M N 0.013 119.300 119.600 -0.522 0.000 2.414 158 M HA 0.281 4.762 4.480 0.001 0.000 0.251 158 M C 0.612 176.711 176.300 -0.335 0.000 1.116 158 M CA 0.691 55.679 55.300 -0.520 0.000 1.056 158 M CB -0.863 31.443 32.600 -0.489 0.000 1.388 158 M HN 0.205 nan 8.290 nan 0.000 0.487 159 G N 1.196 109.909 108.800 -0.145 0.000 2.702 159 G HA2 0.654 4.615 3.960 0.001 0.000 0.254 159 G HA3 0.654 4.615 3.960 0.001 0.000 0.254 159 G C -0.766 174.170 174.900 0.060 0.000 1.380 159 G CA 0.293 45.380 45.100 -0.021 0.000 1.042 159 G HN 0.518 nan 8.290 nan 0.000 0.557 160 T N -4.646 109.915 114.554 0.010 0.000 2.754 160 T HA 0.341 4.692 4.350 0.001 0.000 0.296 160 T C 0.549 175.042 174.700 -0.345 0.000 1.205 160 T CA -0.641 61.377 62.100 -0.137 0.000 1.009 160 T CB 0.727 69.468 68.868 -0.212 0.000 1.368 160 T HN 0.417 nan 8.240 nan 0.000 0.509 161 Y N 0.305 120.387 120.300 -0.363 0.000 2.274 161 Y HA 0.028 4.579 4.550 0.001 0.000 0.290 161 Y C 3.082 178.847 175.900 -0.225 0.000 1.145 161 Y CA 0.500 58.359 58.100 -0.402 0.000 1.203 161 Y CB -0.464 37.792 38.460 -0.340 0.000 0.984 161 Y HN 0.810 nan 8.280 nan 0.000 0.533 162 A N 0.386 123.197 122.820 -0.014 0.000 1.978 162 A HA -0.230 4.091 4.320 0.001 0.000 0.220 162 A C 1.761 179.331 177.584 -0.023 0.000 1.170 162 A CA 1.922 53.954 52.037 -0.009 0.000 0.636 162 A CB -0.596 18.393 19.000 -0.019 0.000 0.810 162 A HN 0.403 nan 8.150 nan 0.000 0.448 163 D N -0.128 120.239 120.400 -0.055 0.000 2.311 163 D HA -0.132 4.509 4.640 0.001 0.000 0.212 163 D C 1.700 177.992 176.300 -0.014 0.000 0.972 163 D CA 0.986 54.957 54.000 -0.049 0.000 0.887 163 D CB -0.214 40.547 40.800 -0.066 0.000 0.915 163 D HN 0.588 nan 8.370 nan 0.000 0.497 164 I N 1.218 121.809 120.570 0.036 0.000 2.226 164 I HA -0.244 3.926 4.170 0.001 0.000 0.245 164 I C 1.582 177.815 176.117 0.194 0.000 1.100 164 I CA 1.034 62.456 61.300 0.203 0.000 1.374 164 I CB -0.102 37.968 38.000 0.116 0.000 1.057 164 I HN -0.188 nan 8.210 nan 0.000 0.413 165 D N 0.417 120.865 120.400 0.079 0.000 2.384 165 D HA -0.148 4.493 4.640 0.001 0.000 0.222 165 D C 1.702 178.021 176.300 0.032 0.000 0.976 165 D CA 0.965 54.997 54.000 0.053 0.000 0.915 165 D CB -0.020 40.794 40.800 0.024 0.000 0.896 165 D HN 0.535 nan 8.370 nan 0.000 0.523 166 Q N -0.961 118.843 119.800 0.007 0.000 2.126 166 Q HA 0.321 4.662 4.340 0.001 0.000 0.233 166 Q C 0.414 176.362 176.000 -0.085 0.000 0.788 166 Q CA -0.200 55.586 55.803 -0.028 0.000 0.968 166 Q CB 1.163 29.883 28.738 -0.029 0.000 1.163 166 Q HN 0.071 nan 8.270 nan 0.000 0.471 167 A N 0.524 123.245 122.820 -0.166 0.000 2.448 167 A HA 0.219 4.540 4.320 0.001 0.000 0.239 167 A C 0.771 178.173 177.584 -0.304 0.000 1.080 167 A CA 0.572 52.389 52.037 -0.368 0.000 0.779 167 A CB 0.503 18.990 19.000 -0.854 0.000 1.026 167 A HN 0.085 nan 8.150 nan 0.000 0.499 168 T N -1.022 113.353 114.554 -0.298 0.000 3.041 168 T HA 0.238 4.588 4.350 0.001 0.000 0.276 168 T C -0.485 174.133 174.700 -0.137 0.000 0.948 168 T CA 0.607 62.620 62.100 -0.144 0.000 0.885 168 T CB -0.242 68.573 68.868 -0.089 0.000 1.175 168 T HN 0.906 nan 8.240 nan 0.000 0.529 169 C N 1.395 120.527 119.300 -0.280 0.000 2.782 169 C HA 0.764 5.225 4.460 0.001 0.000 0.328 169 C C -2.044 172.740 174.990 -0.344 0.000 1.145 169 C CA -1.125 57.787 59.018 -0.176 0.000 1.358 169 C CB -0.012 27.643 27.740 -0.141 0.000 1.841 169 C HN 0.334 nan 8.230 nan 0.000 0.477 170 F N 4.795 124.790 119.950 0.075 0.000 2.493 170 F HA 0.581 5.109 4.527 0.001 0.000 0.329 170 F C -0.389 175.559 175.800 0.246 0.000 1.126 170 F CA -0.638 57.439 58.000 0.129 0.000 0.937 170 F CB 1.568 40.624 39.000 0.094 0.000 1.146 170 F HN 0.576 nan 8.300 nan 0.000 0.442 171 F N 5.709 125.830 119.950 0.286 0.000 2.347 171 F HA 0.639 5.167 4.527 0.001 0.000 0.366 171 F C -1.031 174.980 175.800 0.352 0.000 1.107 171 F CA -1.338 56.849 58.000 0.313 0.000 1.058 171 F CB 0.425 39.647 39.000 0.369 0.000 1.236 171 F HN 0.283 nan 8.300 nan 0.000 0.456 172 I N 8.432 128.979 120.570 -0.039 0.000 2.371 172 I HA 0.397 4.568 4.170 0.001 0.000 0.282 172 I C -0.715 175.301 176.117 -0.168 0.000 1.031 172 I CA -0.442 60.854 61.300 -0.007 0.000 1.180 172 I CB 1.341 39.397 38.000 0.094 0.000 1.336 172 I HN 0.549 nan 8.210 nan 0.000 0.467 173 I N 5.080 125.553 120.570 -0.162 0.000 2.509 173 I HA 0.597 4.768 4.170 0.001 0.000 0.293 173 I C 0.954 177.126 176.117 0.092 0.000 1.020 173 I CA -0.093 61.126 61.300 -0.135 0.000 1.088 173 I CB 1.724 39.529 38.000 -0.325 0.000 1.267 173 I HN 0.757 nan 8.210 nan 0.000 0.430 174 G N 4.447 113.315 108.800 0.114 0.000 2.273 174 G HA2 -0.239 3.722 3.960 0.001 0.000 0.280 174 G HA3 -0.239 3.722 3.960 0.001 0.000 0.280 174 G C -0.106 174.881 174.900 0.144 0.000 1.047 174 G CA 0.634 45.823 45.100 0.149 0.000 0.869 174 G HN 0.884 nan 8.290 nan 0.000 0.502 175 S N -0.807 114.953 115.700 0.101 0.000 2.614 175 S HA 0.516 4.987 4.470 0.001 0.000 0.275 175 S C -0.462 174.164 174.600 0.043 0.000 1.161 175 S CA -0.316 57.940 58.200 0.094 0.000 0.969 175 S CB 1.015 64.276 63.200 0.101 0.000 1.059 175 S HN 0.495 nan 8.310 nan 0.000 0.482 176 N N 3.893 122.612 118.700 0.031 0.000 3.105 176 N HA 0.184 4.925 4.740 0.001 0.000 0.256 176 N C 0.858 176.331 175.510 -0.061 0.000 1.174 176 N CA -0.315 52.705 53.050 -0.050 0.000 1.030 176 N CB 0.383 38.838 38.487 -0.053 0.000 1.305 176 N HN 0.641 nan 8.380 nan 0.000 0.509 177 T N -0.704 113.809 114.554 -0.068 0.000 2.746 177 T HA -0.208 4.143 4.350 0.001 0.000 0.267 177 T C 2.163 176.784 174.700 -0.132 0.000 1.039 177 T CA 1.673 63.786 62.100 0.022 0.000 1.142 177 T CB -0.235 68.712 68.868 0.132 0.000 0.866 177 T HN 0.578 nan 8.240 nan 0.000 0.444 178 S N 1.712 117.020 115.700 -0.653 0.000 2.399 178 S HA -0.149 4.322 4.470 0.001 0.000 0.231 178 S C 1.903 176.321 174.600 -0.303 0.000 1.022 178 S CA 1.125 58.872 58.200 -0.755 0.000 0.983 178 S CB -0.358 61.944 63.200 -1.497 0.000 0.803 178 S HN 0.601 nan 8.310 nan 0.000 0.480 179 E N 0.479 120.531 120.200 -0.246 0.000 2.276 179 E HA 0.236 4.587 4.350 0.001 0.000 0.193 179 E C 2.061 178.579 176.600 -0.137 0.000 0.983 179 E CA 0.688 56.989 56.400 -0.165 0.000 0.861 179 E CB -0.012 29.602 29.700 -0.142 0.000 0.817 179 E HN 0.713 nan 8.360 nan 0.000 0.485 180 A N 0.445 123.201 122.820 -0.106 0.000 2.108 180 A HA 0.073 4.394 4.320 0.001 0.000 0.206 180 A C 0.302 177.675 177.584 -0.351 0.000 1.212 180 A CA 0.257 52.194 52.037 -0.166 0.000 0.843 180 A CB 0.077 19.029 19.000 -0.080 0.000 0.902 180 A HN 0.103 nan 8.150 nan 0.000 0.477 181 H N -1.234 117.829 119.070 -0.012 0.000 2.439 181 H HA 0.297 4.854 4.556 0.001 0.000 0.228 181 H C -2.377 172.956 175.328 0.009 0.000 1.423 181 H CA -1.348 54.705 56.048 0.009 0.000 1.386 181 H CB 0.723 30.489 29.762 0.007 0.000 1.641 181 H HN 0.174 nan 8.280 nan 0.000 0.508 182 P HA -0.199 nan 4.420 nan 0.000 0.215 182 P C 1.675 179.028 177.300 0.089 0.000 1.157 182 P CA 0.874 64.015 63.100 0.068 0.000 0.868 182 P CB 0.473 32.175 31.700 0.003 0.000 0.788 183 V N -0.606 119.334 119.914 0.043 0.000 2.392 183 V HA -0.234 3.887 4.120 0.001 0.000 0.249 183 V C 2.377 178.459 176.094 -0.019 0.000 1.059 183 V CA 1.688 63.994 62.300 0.011 0.000 1.051 183 V CB -1.175 30.647 31.823 -0.001 0.000 0.658 183 V HN 0.091 nan 8.190 nan 0.000 0.455 184 L N -1.684 119.522 121.223 -0.028 0.000 2.109 184 L HA -0.113 4.228 4.340 0.001 0.000 0.207 184 L C 2.356 179.180 176.870 -0.075 0.000 1.086 184 L CA 1.406 56.168 54.840 -0.130 0.000 0.760 184 L CB -0.628 41.280 42.059 -0.251 0.000 0.910 184 L HN 0.343 nan 8.230 nan 0.000 0.437 185 F N 1.023 120.901 119.950 -0.120 0.000 2.161 185 F HA -0.222 4.306 4.527 0.001 0.000 0.300 185 F C 2.822 178.541 175.800 -0.136 0.000 1.089 185 F CA 1.480 59.402 58.000 -0.131 0.000 1.282 185 F CB -0.295 38.656 39.000 -0.083 0.000 1.010 185 F HN -0.095 nan 8.300 nan 0.000 0.485 186 R N 0.752 121.177 120.500 -0.125 0.000 2.073 186 R HA -0.182 4.158 4.340 0.001 0.000 0.234 186 R C 2.492 178.646 176.300 -0.242 0.000 1.134 186 R CA 1.710 57.693 56.100 -0.195 0.000 0.952 186 R CB -0.656 29.607 30.300 -0.061 0.000 0.850 186 R HN 0.293 nan 8.270 nan 0.000 0.433 187 R N 0.250 120.637 120.500 -0.189 0.000 2.105 187 R HA -0.084 4.256 4.340 0.001 0.000 0.239 187 R C 2.386 178.531 176.300 -0.258 0.000 1.135 187 R CA 1.616 57.611 56.100 -0.174 0.000 0.967 187 R CB -0.215 30.007 30.300 -0.130 0.000 0.861 187 R HN 0.270 nan 8.270 nan 0.000 0.442 188 I N 0.113 120.438 120.570 -0.409 0.000 2.202 188 I HA -0.215 3.955 4.170 0.001 0.000 0.242 188 I C 2.560 178.341 176.117 -0.559 0.000 1.091 188 I CA 1.190 62.100 61.300 -0.650 0.000 1.368 188 I CB -0.516 36.983 38.000 -0.835 0.000 1.058 188 I HN 0.242 nan 8.210 nan 0.000 0.410 189 A N 0.975 123.420 122.820 -0.624 0.000 1.908 189 A HA -0.286 4.035 4.320 0.001 0.000 0.218 189 A C 2.340 179.766 177.584 -0.263 0.000 1.181 189 A CA 2.159 53.908 52.037 -0.480 0.000 0.627 189 A CB -0.605 18.033 19.000 -0.602 0.000 0.818 189 A HN 0.308 nan 8.150 nan 0.000 0.445 190 R N 0.066 120.430 120.500 -0.226 0.000 2.080 190 R HA -0.179 4.162 4.340 0.001 0.000 0.236 190 R C 2.268 178.518 176.300 -0.082 0.000 1.137 190 R CA 2.184 58.205 56.100 -0.131 0.000 0.943 190 R CB -0.560 29.672 30.300 -0.112 0.000 0.846 190 R HN 0.458 nan 8.270 nan 0.000 0.431 191 R N 0.949 121.407 120.500 -0.069 0.000 2.096 191 R HA -0.136 4.205 4.340 0.001 0.000 0.240 191 R C 2.057 178.374 176.300 0.027 0.000 1.139 191 R CA 2.416 58.524 56.100 0.013 0.000 0.952 191 R CB -0.549 29.819 30.300 0.113 0.000 0.854 191 R HN 0.336 nan 8.270 nan 0.000 0.436 192 K N -0.151 120.248 120.400 -0.001 0.000 2.209 192 K HA -0.171 4.150 4.320 0.001 0.000 0.204 192 K C 2.114 178.707 176.600 -0.012 0.000 1.048 192 K CA 1.503 57.797 56.287 0.012 0.000 0.940 192 K CB -0.056 32.438 32.500 -0.011 0.000 0.729 192 K HN 0.422 nan 8.250 nan 0.000 0.451 193 Q N 0.158 119.934 119.800 -0.040 0.000 2.079 193 Q HA -0.121 4.220 4.340 0.001 0.000 0.200 193 Q C 1.822 177.812 176.000 -0.017 0.000 0.974 193 Q CA 1.447 57.230 55.803 -0.034 0.000 0.840 193 Q CB 0.260 28.967 28.738 -0.052 0.000 0.898 193 Q HN 0.192 nan 8.270 nan 0.000 0.430 194 V N 0.980 120.887 119.914 -0.013 0.000 2.346 194 V HA -0.096 4.025 4.120 0.001 0.000 0.244 194 V C 0.600 176.697 176.094 0.006 0.000 1.037 194 V CA 1.357 63.654 62.300 -0.005 0.000 1.029 194 V CB -0.129 31.691 31.823 -0.005 0.000 0.663 194 V HN 0.265 nan 8.190 nan 0.000 0.454 195 E N 0.806 121.016 120.200 0.016 0.000 2.103 195 E HA 0.208 4.559 4.350 0.001 0.000 0.254 195 E C -2.045 174.571 176.600 0.028 0.000 0.940 195 E CA -1.713 54.700 56.400 0.022 0.000 0.771 195 E CB 1.291 31.007 29.700 0.026 0.000 1.153 195 E HN 0.367 nan 8.360 nan 0.000 0.428 196 P HA -0.079 nan 4.420 nan 0.000 0.226 196 P C 1.476 178.796 177.300 0.034 0.000 1.153 196 P CA 0.591 63.705 63.100 0.025 0.000 0.777 196 P CB 0.260 31.970 31.700 0.017 0.000 0.794 197 G N 0.062 108.881 108.800 0.032 0.000 2.501 197 G HA2 -0.159 3.802 3.960 0.001 0.000 0.220 197 G HA3 -0.159 3.802 3.960 0.001 0.000 0.220 197 G C 0.571 175.498 174.900 0.045 0.000 1.114 197 G CA 0.071 45.192 45.100 0.035 0.000 0.757 197 G HN 0.195 nan 8.290 nan 0.000 0.559 198 V N 0.722 120.670 119.914 0.056 0.000 2.617 198 V HA 0.093 4.214 4.120 0.001 0.000 0.304 198 V C 0.305 176.463 176.094 0.107 0.000 1.040 198 V CA 0.608 62.959 62.300 0.085 0.000 1.149 198 V CB 0.814 32.718 31.823 0.136 0.000 0.914 198 V HN 0.297 nan 8.190 nan 0.000 0.487 199 K N 5.630 126.100 120.400 0.116 0.000 2.207 199 K HA 0.722 5.043 4.320 0.001 0.000 0.255 199 K C -0.970 175.756 176.600 0.211 0.000 0.941 199 K CA -0.469 55.900 56.287 0.137 0.000 0.825 199 K CB 2.042 34.608 32.500 0.110 0.000 1.119 199 K HN 0.496 nan 8.250 nan 0.000 0.430 200 I N 4.156 124.852 120.570 0.210 0.000 2.478 200 I HA 0.327 4.498 4.170 0.001 0.000 0.287 200 I C -0.868 175.386 176.117 0.228 0.000 1.042 200 I CA -0.914 60.535 61.300 0.249 0.000 1.067 200 I CB 1.434 39.543 38.000 0.181 0.000 1.233 200 I HN 0.349 nan 8.210 nan 0.000 0.431 201 I N 7.040 127.784 120.570 0.290 0.000 2.354 201 I HA 0.390 4.561 4.170 0.001 0.000 0.292 201 I C -0.120 176.128 176.117 0.218 0.000 0.989 201 I CA -0.856 60.620 61.300 0.295 0.000 1.188 201 I CB 1.617 39.911 38.000 0.490 0.000 1.342 201 I HN 0.135 nan 8.210 nan 0.000 0.457 202 V N 5.699 125.697 119.914 0.140 0.000 2.334 202 V HA 0.626 4.747 4.120 0.001 0.000 0.281 202 V C 0.384 176.470 176.094 -0.014 0.000 1.016 202 V CA -0.610 61.730 62.300 0.068 0.000 0.832 202 V CB 1.502 33.379 31.823 0.089 0.000 0.999 202 V HN 0.867 nan 8.190 nan 0.000 0.439 203 A N 4.076 126.787 122.820 -0.181 0.000 2.267 203 A HA 0.791 5.112 4.320 0.001 0.000 0.315 203 A C -0.671 176.681 177.584 -0.388 0.000 1.297 203 A CA -0.265 51.486 52.037 -0.476 0.000 0.865 203 A CB 0.611 19.348 19.000 -0.438 0.000 1.165 203 A HN 0.763 nan 8.150 nan 0.000 0.513 204 D N 3.244 123.348 120.400 -0.494 0.000 2.746 204 D HA 0.258 4.899 4.640 0.001 0.000 0.211 204 D C -2.692 173.538 176.300 -0.116 0.000 1.242 204 D CA -0.991 52.931 54.000 -0.130 0.000 0.790 204 D CB 1.976 42.781 40.800 0.009 0.000 1.744 204 D HN 0.069 nan 8.370 nan 0.000 0.520 205 P HA -0.018 nan 4.420 nan 0.000 0.223 205 P C -0.081 177.274 177.300 0.091 0.000 1.144 205 P CA 0.880 64.013 63.100 0.056 0.000 0.783 205 P CB 0.259 32.018 31.700 0.099 0.000 0.771 206 R N -0.176 120.390 120.500 0.110 0.000 2.532 206 R HA 0.380 4.721 4.340 0.001 0.000 0.295 206 R C 0.315 176.646 176.300 0.050 0.000 0.968 206 R CA -0.808 55.347 56.100 0.093 0.000 0.916 206 R CB 1.415 31.752 30.300 0.061 0.000 1.124 206 R HN -0.147 nan 8.270 nan 0.000 0.463 207 R N 2.447 122.919 120.500 -0.046 0.000 2.287 207 R HA 0.115 4.456 4.340 0.001 0.000 0.327 207 R C -0.487 175.695 176.300 -0.198 0.000 1.109 207 R CA 0.018 55.929 56.100 -0.314 0.000 1.013 207 R CB 0.420 30.595 30.300 -0.209 0.000 1.126 207 R HN 0.765 nan 8.270 nan 0.000 0.503 208 T N -0.491 113.932 114.554 -0.217 0.000 2.937 208 T HA 0.214 4.565 4.350 0.001 0.000 0.283 208 T C 1.145 175.740 174.700 -0.175 0.000 1.012 208 T CA -0.916 61.093 62.100 -0.152 0.000 0.997 208 T CB 1.080 69.871 68.868 -0.130 0.000 1.136 208 T HN 0.329 nan 8.240 nan 0.000 0.551 209 N N 0.450 119.045 118.700 -0.175 0.000 2.348 209 N HA -0.082 4.658 4.740 0.001 0.000 0.185 209 N C 1.749 177.116 175.510 -0.239 0.000 1.019 209 N CA 1.166 54.108 53.050 -0.180 0.000 0.880 209 N CB -0.811 37.564 38.487 -0.187 0.000 0.965 209 N HN 0.698 nan 8.380 nan 0.000 0.437 210 T N 0.168 114.517 114.554 -0.342 0.000 2.821 210 T HA -0.109 4.242 4.350 0.001 0.000 0.267 210 T C 2.087 176.793 174.700 0.010 0.000 1.046 210 T CA 1.460 63.371 62.100 -0.316 0.000 1.139 210 T CB -0.260 68.439 68.868 -0.282 0.000 0.871 210 T HN 0.476 nan 8.240 nan 0.000 0.454 211 S N 1.384 117.036 115.700 -0.080 0.000 2.515 211 S HA 0.000 4.471 4.470 0.001 0.000 0.231 211 S C 1.801 176.398 174.600 -0.006 0.000 0.987 211 S CA 0.220 58.378 58.200 -0.070 0.000 0.936 211 S CB -0.245 62.770 63.200 -0.309 0.000 0.766 211 S HN 0.242 nan 8.310 nan 0.000 0.528 212 R N 1.388 121.900 120.500 0.021 0.000 2.323 212 R HA 0.260 4.600 4.340 0.001 0.000 0.198 212 R C 1.676 178.023 176.300 0.079 0.000 0.988 212 R CA 0.643 56.767 56.100 0.041 0.000 1.041 212 R CB -0.709 29.610 30.300 0.031 0.000 0.926 212 R HN 0.832 nan 8.270 nan 0.000 0.476 213 I N -3.359 117.284 120.570 0.122 0.000 4.082 213 I HA 0.379 4.550 4.170 0.001 0.000 0.337 213 I C 0.428 176.585 176.117 0.067 0.000 1.352 213 I CA -0.467 60.873 61.300 0.067 0.000 1.097 213 I CB 0.420 38.416 38.000 -0.008 0.000 1.048 213 I HN -0.254 nan 8.210 nan 0.000 0.393 214 A N 1.242 124.115 122.820 0.087 0.000 2.363 214 A HA 0.244 4.564 4.320 0.001 0.000 0.270 214 A C 0.316 177.961 177.584 0.101 0.000 1.121 214 A CA -0.131 51.969 52.037 0.106 0.000 0.800 214 A CB 0.169 19.239 19.000 0.117 0.000 1.052 214 A HN 0.421 nan 8.150 nan 0.000 0.493 215 D N 0.695 121.164 120.400 0.115 0.000 2.178 215 D HA 0.017 4.658 4.640 0.001 0.000 0.202 215 D C 0.519 176.891 176.300 0.119 0.000 0.974 215 D CA 1.413 55.479 54.000 0.110 0.000 0.841 215 D CB 0.094 40.964 40.800 0.117 0.000 0.953 215 D HN 0.562 nan 8.370 nan 0.000 0.478 216 M N 0.130 119.815 119.600 0.140 0.000 2.277 216 M HA 0.134 4.615 4.480 0.001 0.000 0.282 216 M C -2.015 174.380 176.300 0.157 0.000 1.074 216 M CA -0.608 54.778 55.300 0.142 0.000 0.954 216 M CB 2.157 34.851 32.600 0.156 0.000 1.672 216 M HN -0.062 nan 8.290 nan 0.000 0.471 217 H N 5.013 124.094 119.070 0.019 0.000 2.581 217 H HA 0.527 5.083 4.556 0.001 0.000 0.308 217 H C -1.734 173.534 175.328 -0.100 0.000 1.040 217 H CA -0.585 55.435 56.048 -0.045 0.000 1.231 217 H CB 1.189 30.925 29.762 -0.043 0.000 1.396 217 H HN 0.540 nan 8.280 nan 0.000 0.467 218 V N 5.407 125.020 119.914 -0.501 0.000 2.339 218 V HA 0.207 4.327 4.120 0.001 0.000 0.261 218 V C 0.811 176.262 176.094 -1.070 0.000 1.058 218 V CA -0.292 61.600 62.300 -0.679 0.000 0.897 218 V CB 0.501 31.902 31.823 -0.703 0.000 1.052 218 V HN 0.865 nan 8.190 nan 0.000 0.480 219 A N 6.695 128.984 122.820 -0.886 0.000 3.168 219 A HA 0.553 4.874 4.320 0.001 0.000 0.260 219 A C 0.223 177.642 177.584 -0.275 0.000 1.598 219 A CA -0.486 51.181 52.037 -0.618 0.000 1.285 219 A CB -0.796 17.982 19.000 -0.371 0.000 1.149 219 A HN 0.687 nan 8.150 nan 0.000 0.630 220 F N -0.884 118.932 119.950 -0.222 0.000 2.444 220 F HA 0.511 5.039 4.527 0.001 0.000 0.331 220 F C 0.673 176.401 175.800 -0.120 0.000 1.167 220 F CA -2.052 55.856 58.000 -0.154 0.000 1.262 220 F CB 0.248 39.131 39.000 -0.195 0.000 1.196 220 F HN 0.407 nan 8.300 nan 0.000 0.583 221 R N 2.029 122.638 120.500 0.182 0.000 2.537 221 R HA 0.262 4.603 4.340 0.001 0.000 0.280 221 R C -2.628 173.576 176.300 -0.161 0.000 1.058 221 R CA -1.342 54.762 56.100 0.006 0.000 1.057 221 R CB 0.017 30.339 30.300 0.037 0.000 0.973 221 R HN 0.389 nan 8.270 nan 0.000 0.438 222 P HA -0.022 nan 4.420 nan 0.000 0.264 222 P C 0.211 177.273 177.300 -0.397 0.000 1.183 222 P CA 1.376 64.187 63.100 -0.482 0.000 0.763 222 P CB 0.742 31.927 31.700 -0.858 0.000 0.807 223 G N 2.269 110.915 108.800 -0.257 0.000 2.225 223 G HA2 -0.289 3.672 3.960 0.001 0.000 0.254 223 G HA3 -0.289 3.672 3.960 0.001 0.000 0.254 223 G C 0.821 175.619 174.900 -0.171 0.000 0.988 223 G CA 0.577 45.584 45.100 -0.155 0.000 0.625 223 G HN 0.655 nan 8.290 nan 0.000 0.527 224 T N -0.657 113.738 114.554 -0.264 0.000 3.122 224 T HA 0.313 4.664 4.350 0.001 0.000 0.250 224 T C 1.596 176.109 174.700 -0.312 0.000 1.067 224 T CA 1.142 63.125 62.100 -0.195 0.000 0.966 224 T CB 0.080 68.889 68.868 -0.099 0.000 1.002 224 T HN 0.381 nan 8.240 nan 0.000 0.542 225 D N 1.668 121.721 120.400 -0.578 0.000 2.224 225 D HA -0.039 4.602 4.640 0.001 0.000 0.205 225 D C 1.751 177.949 176.300 -0.170 0.000 0.965 225 D CA 0.249 53.896 54.000 -0.588 0.000 0.852 225 D CB -0.585 39.739 40.800 -0.792 0.000 0.947 225 D HN 0.350 nan 8.370 nan 0.000 0.494 226 L N 1.003 122.126 121.223 -0.166 0.000 2.012 226 L HA -0.118 4.223 4.340 0.001 0.000 0.210 226 L C 2.719 179.471 176.870 -0.197 0.000 1.073 226 L CA 1.984 56.714 54.840 -0.183 0.000 0.748 226 L CB -0.852 41.142 42.059 -0.108 0.000 0.891 226 L HN 0.132 nan 8.230 nan 0.000 0.431 227 A N -1.087 121.715 122.820 -0.031 0.000 1.877 227 A HA -0.273 4.047 4.320 0.001 0.000 0.216 227 A C 2.288 179.912 177.584 0.068 0.000 1.186 227 A CA 1.742 53.831 52.037 0.088 0.000 0.620 227 A CB -1.044 18.095 19.000 0.231 0.000 0.822 227 A HN 0.402 nan 8.150 nan 0.000 0.443 228 F N 0.217 120.141 119.950 -0.042 0.000 2.095 228 F HA -0.231 4.297 4.527 0.001 0.000 0.298 228 F C 2.384 178.180 175.800 -0.006 0.000 1.104 228 F CA 2.306 60.316 58.000 0.016 0.000 1.232 228 F CB -0.197 38.869 39.000 0.110 0.000 0.987 228 F HN 0.155 nan 8.300 nan 0.000 0.475 229 M N -1.075 118.605 119.600 0.135 0.000 2.175 229 M HA -0.207 4.274 4.480 0.001 0.000 0.264 229 M C 2.185 178.396 176.300 -0.149 0.000 1.063 229 M CA 1.160 56.455 55.300 -0.009 0.000 1.119 229 M CB -0.727 31.870 32.600 -0.006 0.000 1.377 229 M HN 0.176 nan 8.290 nan 0.000 0.415 230 H N -0.833 118.119 119.070 -0.197 0.000 2.353 230 H HA -0.072 4.485 4.556 0.001 0.000 0.300 230 H C 2.464 177.689 175.328 -0.171 0.000 1.090 230 H CA 1.545 57.438 56.048 -0.260 0.000 1.327 230 H CB -0.501 28.828 29.762 -0.720 0.000 1.383 230 H HN 0.272 nan 8.280 nan 0.000 0.508 231 S N -0.040 115.630 115.700 -0.050 0.000 2.383 231 S HA -0.154 4.316 4.470 0.001 0.000 0.229 231 S C 2.249 176.733 174.600 -0.194 0.000 1.030 231 S CA 1.187 59.306 58.200 -0.134 0.000 1.002 231 S CB -0.150 62.892 63.200 -0.263 0.000 0.829 231 S HN 0.283 nan 8.310 nan 0.000 0.467 232 M N 0.537 119.952 119.600 -0.307 0.000 2.117 232 M HA -0.108 4.373 4.480 0.001 0.000 0.262 232 M C 2.376 178.570 176.300 -0.177 0.000 1.065 232 M CA 1.574 56.696 55.300 -0.297 0.000 1.114 232 M CB -0.441 31.935 32.600 -0.373 0.000 1.361 232 M HN 0.444 nan 8.290 nan 0.000 0.408 233 A N -0.733 122.012 122.820 -0.125 0.000 1.930 233 A HA -0.207 4.113 4.320 0.001 0.000 0.217 233 A C 1.832 179.366 177.584 -0.083 0.000 1.175 233 A CA 1.144 53.128 52.037 -0.089 0.000 0.627 233 A CB -1.216 17.770 19.000 -0.022 0.000 0.815 233 A HN 0.752 nan 8.150 nan 0.000 0.443 234 W N 0.715 121.887 121.300 -0.213 0.000 2.317 234 W HA -0.265 4.396 4.660 0.001 0.000 0.318 234 W C 2.024 178.458 176.519 -0.142 0.000 1.227 234 W CA 2.798 60.025 57.345 -0.197 0.000 1.269 234 W CB -0.322 29.031 29.460 -0.178 0.000 1.155 234 W HN 0.124 nan 8.180 nan 0.000 0.484 235 V N 0.967 121.005 119.914 0.206 0.000 2.295 235 V HA -0.331 3.789 4.120 0.001 0.000 0.246 235 V C 2.181 178.260 176.094 -0.025 0.000 1.049 235 V CA 2.152 64.535 62.300 0.138 0.000 1.024 235 V CB -0.980 30.886 31.823 0.073 0.000 0.648 235 V HN 0.232 nan 8.190 nan 0.000 0.447 236 I N -0.374 120.173 120.570 -0.038 0.000 2.151 236 I HA -0.267 3.903 4.170 0.001 0.000 0.243 236 I C 2.363 178.466 176.117 -0.024 0.000 1.080 236 I CA 1.518 62.808 61.300 -0.018 0.000 1.339 236 I CB -0.376 37.606 38.000 -0.030 0.000 1.039 236 I HN 0.221 nan 8.210 nan 0.000 0.409 237 I N 0.658 121.173 120.570 -0.092 0.000 2.142 237 I HA -0.310 3.861 4.170 0.001 0.000 0.240 237 I C 2.341 178.338 176.117 -0.200 0.000 1.078 237 I CA 1.826 63.070 61.300 -0.093 0.000 1.343 237 I CB -1.784 36.087 38.000 -0.215 0.000 1.046 237 I HN 0.344 nan 8.210 nan 0.000 0.405 238 N N 1.013 119.430 118.700 -0.471 0.000 2.137 238 N HA -0.234 4.506 4.740 0.001 0.000 0.190 238 N C 1.351 176.728 175.510 -0.222 0.000 1.017 238 N CA 1.506 54.225 53.050 -0.550 0.000 0.859 238 N CB 0.028 37.867 38.487 -1.080 0.000 1.002 238 N HN 0.410 nan 8.380 nan 0.000 0.428 239 E N -0.160 119.974 120.200 -0.109 0.000 2.465 239 E HA 0.054 4.405 4.350 0.001 0.000 0.195 239 E C -0.738 175.871 176.600 0.015 0.000 1.028 239 E CA -0.043 56.349 56.400 -0.013 0.000 0.899 239 E CB 0.253 29.980 29.700 0.045 0.000 1.032 239 E HN 0.355 nan 8.360 nan 0.000 0.468 240 E N 0.248 120.457 120.200 0.016 0.000 2.320 240 E HA -0.218 4.133 4.350 0.001 0.000 0.234 240 E C 0.138 176.786 176.600 0.080 0.000 1.183 240 E CA 0.046 56.483 56.400 0.062 0.000 0.713 240 E CB -1.351 28.382 29.700 0.055 0.000 1.226 240 E HN 0.365 nan 8.360 nan 0.000 0.382 241 L N 0.240 121.514 121.223 0.086 0.000 2.728 241 L HA 0.122 4.463 4.340 0.001 0.000 0.238 241 L C 1.150 178.103 176.870 0.138 0.000 1.143 241 L CA -0.306 54.594 54.840 0.100 0.000 0.937 241 L CB -0.187 41.924 42.059 0.088 0.000 1.225 241 L HN 0.254 nan 8.230 nan 0.000 0.507 242 D N -0.949 119.559 120.400 0.180 0.000 2.451 242 D HA 0.020 4.661 4.640 0.001 0.000 0.259 242 D C -0.209 176.264 176.300 0.288 0.000 1.201 242 D CA -0.425 53.737 54.000 0.270 0.000 1.028 242 D CB 1.047 42.059 40.800 0.354 0.000 1.095 242 D HN -0.185 nan 8.370 nan 0.000 0.539 243 N N 0.132 119.072 118.700 0.400 0.000 2.804 243 N HA 0.207 4.947 4.740 0.001 0.000 0.251 243 N C -2.117 173.450 175.510 0.095 0.000 1.250 243 N CA -2.010 51.201 53.050 0.269 0.000 0.820 243 N CB 1.310 39.968 38.487 0.285 0.000 1.156 243 N HN 0.073 nan 8.380 nan 0.000 0.512 244 P HA -0.095 nan 4.420 nan 0.000 0.220 244 P C 1.144 177.989 177.300 -0.757 0.000 1.148 244 P CA 0.725 63.185 63.100 -1.068 0.000 0.803 244 P CB 0.593 31.917 31.700 -0.626 0.000 0.782 245 R N -1.245 119.087 120.500 -0.280 0.000 2.120 245 R HA -0.084 4.256 4.340 0.001 0.000 0.234 245 R C 2.220 178.529 176.300 0.014 0.000 1.123 245 R CA 0.848 56.870 56.100 -0.130 0.000 0.975 245 R CB -1.536 28.764 30.300 -0.000 0.000 0.866 245 R HN 0.267 nan 8.270 nan 0.000 0.446 246 F N 1.352 121.308 119.950 0.010 0.000 2.025 246 F HA -0.209 4.319 4.527 0.001 0.000 0.291 246 F C 2.491 178.450 175.800 0.264 0.000 1.150 246 F CA 1.603 59.773 58.000 0.284 0.000 1.166 246 F CB -0.784 38.412 39.000 0.327 0.000 0.995 246 F HN 0.140 nan 8.300 nan 0.000 0.474 247 W N 0.676 122.108 121.300 0.222 0.000 2.374 247 W HA -0.154 4.506 4.660 0.001 0.000 0.288 247 W C 1.647 178.144 176.519 -0.037 0.000 1.218 247 W CA 0.925 58.289 57.345 0.032 0.000 1.245 247 W CB -1.474 28.076 29.460 0.150 0.000 1.126 247 W HN 0.264 nan 8.180 nan 0.000 0.545 248 Q N 0.779 120.334 119.800 -0.408 0.000 2.170 248 Q HA -0.180 4.161 4.340 0.001 0.000 0.203 248 Q C 2.414 178.295 176.000 -0.198 0.000 0.976 248 Q CA 1.928 57.548 55.803 -0.305 0.000 0.858 248 Q CB -0.188 28.203 28.738 -0.577 0.000 0.907 248 Q HN 0.351 nan 8.270 nan 0.000 0.433 249 R N -1.214 119.093 120.500 -0.320 0.000 2.225 249 R HA 0.013 4.354 4.340 0.001 0.000 0.194 249 R C 0.689 176.631 176.300 -0.597 0.000 0.957 249 R CA 0.466 56.264 56.100 -0.503 0.000 1.042 249 R CB 0.479 30.337 30.300 -0.736 0.000 1.004 249 R HN 0.205 nan 8.270 nan 0.000 0.509 250 Y N -0.943 119.224 120.300 -0.222 0.000 2.500 250 Y HA 0.347 4.898 4.550 0.001 0.000 0.246 250 Y C -0.355 175.409 175.900 -0.227 0.000 1.146 250 Y CA -0.544 57.432 58.100 -0.208 0.000 1.230 250 Y CB 1.693 39.861 38.460 -0.487 0.000 1.214 250 Y HN -0.221 nan 8.280 nan 0.000 0.526 251 V N 1.166 121.010 119.914 -0.118 0.000 2.656 251 V HA 0.343 4.464 4.120 0.001 0.000 0.307 251 V C -0.778 175.139 176.094 -0.296 0.000 1.051 251 V CA -1.104 61.038 62.300 -0.263 0.000 0.893 251 V CB 1.927 33.574 31.823 -0.294 0.000 0.999 251 V HN 0.101 nan 8.190 nan 0.000 0.426 252 N N 2.131 120.585 118.700 -0.410 0.000 2.430 252 N HA 0.655 5.396 4.740 0.001 0.000 0.298 252 N C -1.215 173.910 175.510 -0.641 0.000 1.130 252 N CA -0.300 52.534 53.050 -0.359 0.000 0.894 252 N CB 1.929 40.259 38.487 -0.262 0.000 1.209 252 N HN 0.428 nan 8.380 nan 0.000 0.503 253 F N 0.885 120.643 119.950 -0.320 0.000 2.480 253 F HA 0.535 5.063 4.527 0.001 0.000 0.329 253 F C 0.420 175.947 175.800 -0.454 0.000 1.091 253 F CA -0.665 57.077 58.000 -0.429 0.000 0.972 253 F CB 1.332 40.131 39.000 -0.335 0.000 1.150 253 F HN -0.021 nan 8.300 nan 0.000 0.467 254 M N 2.794 122.146 119.600 -0.414 0.000 2.259 254 M HA 0.238 4.719 4.480 0.001 0.000 0.304 254 M C -0.873 175.262 176.300 -0.275 0.000 1.019 254 M CA -0.957 54.081 55.300 -0.437 0.000 0.922 254 M CB 1.798 33.839 32.600 -0.931 0.000 1.600 254 M HN 0.668 nan 8.290 nan 0.000 0.433 255 D N 2.209 122.506 120.400 -0.172 0.000 2.372 255 D HA 0.232 4.873 4.640 0.001 0.000 0.243 255 D C 1.101 177.318 176.300 -0.138 0.000 1.297 255 D CA -0.166 53.737 54.000 -0.162 0.000 0.958 255 D CB 0.446 41.201 40.800 -0.075 0.000 1.114 255 D HN 0.615 nan 8.370 nan 0.000 0.496 256 A N -0.455 122.290 122.820 -0.125 0.000 2.076 256 A HA -0.178 4.143 4.320 0.001 0.000 0.220 256 A C 1.769 179.380 177.584 0.044 0.000 1.160 256 A CA 1.429 53.454 52.037 -0.019 0.000 0.653 256 A CB -0.692 18.400 19.000 0.152 0.000 0.801 256 A HN 0.535 nan 8.150 nan 0.000 0.455 257 E N -1.471 118.759 120.200 0.049 0.000 2.478 257 E HA 0.290 4.640 4.350 0.001 0.000 0.194 257 E C 1.225 177.884 176.600 0.100 0.000 1.045 257 E CA 0.723 57.166 56.400 0.071 0.000 0.868 257 E CB -0.137 29.597 29.700 0.057 0.000 0.885 257 E HN 0.742 nan 8.360 nan 0.000 0.505 258 G N 0.774 109.646 108.800 0.121 0.000 2.137 258 G HA2 -0.251 3.710 3.960 0.001 0.000 0.237 258 G HA3 -0.251 3.710 3.960 0.001 0.000 0.237 258 G C -0.033 174.928 174.900 0.102 0.000 1.002 258 G CA 0.024 45.262 45.100 0.230 0.000 0.702 258 G HN 0.021 nan 8.290 nan 0.000 0.515 259 K N 0.315 120.728 120.400 0.023 0.000 2.110 259 K HA 0.487 4.808 4.320 0.001 0.000 0.263 259 K C -2.508 174.053 176.600 -0.066 0.000 0.975 259 K CA -2.249 54.032 56.287 -0.010 0.000 0.895 259 K CB 1.159 33.661 32.500 0.004 0.000 1.060 259 K HN -0.030 nan 8.250 nan 0.000 0.448 260 P HA -0.042 nan 4.420 nan 0.000 0.261 260 P C -0.192 177.077 177.300 -0.052 0.000 1.173 260 P CA 0.596 63.651 63.100 -0.075 0.000 0.760 260 P CB 0.629 32.304 31.700 -0.043 0.000 0.783 261 S N 1.764 117.435 115.700 -0.048 0.000 3.331 261 S HA 0.731 5.202 4.470 0.001 0.000 0.316 261 S C -1.465 173.125 174.600 -0.015 0.000 1.104 261 S CA -0.357 57.818 58.200 -0.042 0.000 0.977 261 S CB 0.808 63.965 63.200 -0.073 0.000 1.370 261 S HN 0.523 nan 8.310 nan 0.000 0.731 262 D N -0.807 119.520 120.400 -0.120 0.000 2.838 262 D HA 0.262 4.903 4.640 0.001 0.000 0.334 262 D C 0.248 176.069 176.300 -0.798 0.000 1.315 262 D CA -0.623 53.225 54.000 -0.253 0.000 0.917 262 D CB -0.607 40.151 40.800 -0.070 0.000 1.435 262 D HN 0.353 nan 8.370 nan 0.000 0.517 263 F N 0.734 120.000 119.950 -1.139 0.000 2.161 263 F HA -0.073 4.455 4.527 0.001 0.000 0.300 263 F C 1.841 177.315 175.800 -0.545 0.000 1.089 263 F CA 1.680 58.941 58.000 -1.232 0.000 1.282 263 F CB 0.041 38.466 39.000 -0.959 0.000 1.010 263 F HN 0.245 nan 8.300 nan 0.000 0.485 264 E N 0.174 120.123 120.200 -0.419 0.000 2.107 264 E HA -0.087 4.264 4.350 0.001 0.000 0.191 264 E C 2.562 178.978 176.600 -0.307 0.000 0.982 264 E CA 1.025 57.205 56.400 -0.367 0.000 0.809 264 E CB -1.077 28.531 29.700 -0.154 0.000 0.756 264 E HN 0.521 nan 8.360 nan 0.000 0.459 265 G N 0.655 109.308 108.800 -0.245 0.000 2.421 265 G HA2 -0.309 3.652 3.960 0.001 0.000 0.216 265 G HA3 -0.309 3.652 3.960 0.001 0.000 0.216 265 G C 1.543 176.375 174.900 -0.112 0.000 1.171 265 G CA 0.824 45.834 45.100 -0.149 0.000 0.775 265 G HN 0.233 nan 8.290 nan 0.000 0.543 266 Y N 1.744 121.795 120.300 -0.415 0.000 2.081 266 Y HA -0.137 4.413 4.550 0.001 0.000 0.280 266 Y C 2.810 178.562 175.900 -0.246 0.000 1.163 266 Y CA 1.859 59.766 58.100 -0.321 0.000 1.135 266 Y CB -0.424 37.768 38.460 -0.445 0.000 0.970 266 Y HN 0.115 nan 8.280 nan 0.000 0.498 267 K N -0.373 119.718 120.400 -0.515 0.000 2.074 267 K HA -0.226 4.095 4.320 0.001 0.000 0.209 267 K C 2.277 178.729 176.600 -0.248 0.000 1.048 267 K CA 1.361 57.338 56.287 -0.516 0.000 0.926 267 K CB -0.468 31.640 32.500 -0.654 0.000 0.713 267 K HN 0.403 nan 8.250 nan 0.000 0.444 268 A N 1.045 123.766 122.820 -0.165 0.000 1.898 268 A HA -0.166 4.155 4.320 0.001 0.000 0.216 268 A C 1.987 179.567 177.584 -0.008 0.000 1.181 268 A CA 1.106 53.099 52.037 -0.073 0.000 0.620 268 A CB -0.684 18.282 19.000 -0.056 0.000 0.819 268 A HN 0.361 nan 8.150 nan 0.000 0.442 269 F N 0.803 120.688 119.950 -0.108 0.000 2.095 269 F HA -0.160 4.368 4.527 0.001 0.000 0.298 269 F C 1.759 177.534 175.800 -0.042 0.000 1.104 269 F CA 1.843 59.804 58.000 -0.064 0.000 1.232 269 F CB -0.303 38.675 39.000 -0.037 0.000 0.987 269 F HN 0.125 nan 8.300 nan 0.000 0.475 270 L N 0.278 121.469 121.223 -0.053 0.000 2.450 270 L HA -0.143 4.197 4.340 0.001 0.000 0.224 270 L C 2.161 179.076 176.870 0.075 0.000 1.149 270 L CA 0.580 55.393 54.840 -0.046 0.000 0.816 270 L CB -0.714 41.288 42.059 -0.096 0.000 0.932 270 L HN 0.134 nan 8.230 nan 0.000 0.449 271 E N 0.065 120.265 120.200 0.001 0.000 2.265 271 E HA -0.208 4.142 4.350 0.001 0.000 0.196 271 E C 1.563 178.030 176.600 -0.222 0.000 0.996 271 E CA 0.696 57.096 56.400 -0.001 0.000 0.832 271 E CB -0.285 29.404 29.700 -0.020 0.000 0.756 271 E HN 0.551 nan 8.360 nan 0.000 0.491 272 N N -0.552 117.921 118.700 -0.378 0.000 2.550 272 N HA -0.114 4.627 4.740 0.001 0.000 0.186 272 N C -0.266 174.650 175.510 -0.989 0.000 1.110 272 N CA 0.280 52.922 53.050 -0.680 0.000 0.912 272 N CB 0.229 38.189 38.487 -0.878 0.000 0.968 272 N HN 0.134 nan 8.380 nan 0.000 0.448 273 Y N 0.431 120.518 120.300 -0.354 0.000 2.629 273 Y HA 0.342 4.893 4.550 0.001 0.000 0.282 273 Y C -0.304 175.301 175.900 -0.492 0.000 0.994 273 Y CA -0.731 57.174 58.100 -0.325 0.000 1.126 273 Y CB 0.089 38.419 38.460 -0.217 0.000 1.187 273 Y HN -0.273 nan 8.280 nan 0.000 0.600 274 R N 1.250 121.379 120.500 -0.619 0.000 2.570 274 R HA 0.017 4.358 4.340 0.001 0.000 0.277 274 R C -1.690 174.226 176.300 -0.639 0.000 1.039 274 R CA -1.099 54.401 56.100 -0.999 0.000 1.065 274 R CB 0.254 30.053 30.300 -0.835 0.000 0.964 274 R HN 0.127 nan 8.270 nan 0.000 0.428 275 P HA -0.202 nan 4.420 nan 0.000 0.217 275 P C 0.397 177.549 177.300 -0.247 0.000 1.151 275 P CA 1.376 64.200 63.100 -0.461 0.000 0.849 275 P CB 0.307 31.621 31.700 -0.643 0.000 0.787 276 E N -0.494 119.578 120.200 -0.213 0.000 2.072 276 E HA -0.149 4.202 4.350 0.001 0.000 0.191 276 E C 1.978 178.516 176.600 -0.103 0.000 0.985 276 E CA 1.079 57.416 56.400 -0.104 0.000 0.801 276 E CB -0.642 29.009 29.700 -0.081 0.000 0.750 276 E HN 0.266 nan 8.360 nan 0.000 0.452 277 K N 0.511 120.817 120.400 -0.157 0.000 2.062 277 K HA -0.043 4.277 4.320 0.001 0.000 0.205 277 K C 1.827 178.369 176.600 -0.096 0.000 1.051 277 K CA 0.937 57.144 56.287 -0.133 0.000 0.941 277 K CB 0.063 32.450 32.500 -0.188 0.000 0.719 277 K HN 0.019 nan 8.250 nan 0.000 0.440 278 V N 1.360 121.209 119.914 -0.109 0.000 2.871 278 V HA -0.108 4.013 4.120 0.001 0.000 0.256 278 V C 2.291 178.399 176.094 0.022 0.000 1.082 278 V CA 1.478 63.758 62.300 -0.033 0.000 1.105 278 V CB -0.080 31.725 31.823 -0.031 0.000 0.713 278 V HN 0.445 nan 8.190 nan 0.000 0.473 279 A N 1.308 124.127 122.820 -0.001 0.000 1.930 279 A HA -0.209 4.111 4.320 0.001 0.000 0.217 279 A C 2.095 179.718 177.584 0.064 0.000 1.175 279 A CA 1.880 53.951 52.037 0.056 0.000 0.627 279 A CB -0.292 18.731 19.000 0.038 0.000 0.815 279 A HN 0.728 nan 8.150 nan 0.000 0.443 280 E N 0.187 120.406 120.200 0.032 0.000 2.216 280 E HA -0.014 4.337 4.350 0.001 0.000 0.192 280 E C 1.543 178.171 176.600 0.046 0.000 0.988 280 E CA 0.997 57.418 56.400 0.035 0.000 0.834 280 E CB -0.634 29.074 29.700 0.015 0.000 0.772 280 E HN 0.601 nan 8.360 nan 0.000 0.479 281 I N 0.356 120.953 120.570 0.044 0.000 2.252 281 I HA -0.242 3.929 4.170 0.001 0.000 0.245 281 I C 1.523 177.687 176.117 0.079 0.000 1.102 281 I CA 0.878 62.210 61.300 0.054 0.000 1.385 281 I CB -0.177 37.852 38.000 0.047 0.000 1.064 281 I HN 0.280 nan 8.210 nan 0.000 0.414 282 C N 0.498 119.863 119.300 0.108 0.000 2.594 282 C HA 0.139 4.600 4.460 0.001 0.000 0.265 282 C C 0.951 176.027 174.990 0.144 0.000 1.351 282 C CA -0.427 58.679 59.018 0.147 0.000 1.744 282 C CB -0.928 26.970 27.740 0.263 0.000 1.890 282 C HN 0.460 nan 8.230 nan 0.000 0.551 283 R N -0.312 120.255 120.500 0.112 0.000 3.333 283 R HA -0.152 4.189 4.340 0.001 0.000 0.256 283 R C -0.471 175.884 176.300 0.092 0.000 1.010 283 R CA 0.969 57.125 56.100 0.093 0.000 0.680 283 R CB -2.646 27.707 30.300 0.088 0.000 1.102 283 R HN 0.654 nan 8.270 nan 0.000 0.440 284 V N -2.926 117.058 119.914 0.116 0.000 2.823 284 V HA 0.805 4.926 4.120 0.001 0.000 0.312 284 V C -2.089 174.071 176.094 0.111 0.000 1.072 284 V CA -2.652 59.714 62.300 0.109 0.000 0.937 284 V CB 2.621 34.531 31.823 0.146 0.000 1.013 284 V HN -0.061 nan 8.190 nan 0.000 0.430 285 P HA 0.088 nan 4.420 nan 0.000 0.265 285 P C 1.226 178.604 177.300 0.129 0.000 1.193 285 P CA 0.386 63.544 63.100 0.096 0.000 0.765 285 P CB 0.998 32.748 31.700 0.084 0.000 0.823 286 V N 1.633 121.621 119.914 0.124 0.000 2.568 286 V HA -0.254 3.867 4.120 0.001 0.000 0.253 286 V C 1.809 178.044 176.094 0.235 0.000 1.072 286 V CA 1.809 64.197 62.300 0.146 0.000 1.084 286 V CB -1.406 30.517 31.823 0.167 0.000 0.676 286 V HN 0.516 nan 8.190 nan 0.000 0.469 287 E N 0.809 121.148 120.200 0.231 0.000 2.333 287 E HA -0.251 4.100 4.350 0.001 0.000 0.198 287 E C 2.026 178.772 176.600 0.242 0.000 1.007 287 E CA 1.358 57.914 56.400 0.260 0.000 0.845 287 E CB -0.554 29.238 29.700 0.153 0.000 0.766 287 E HN 0.769 nan 8.360 nan 0.000 0.507 288 Q N 0.456 120.385 119.800 0.216 0.000 2.167 288 Q HA -0.021 4.320 4.340 0.001 0.000 0.202 288 Q C 2.466 178.638 176.000 0.287 0.000 0.970 288 Q CA 0.965 56.921 55.803 0.256 0.000 0.855 288 Q CB -0.111 28.788 28.738 0.269 0.000 0.911 288 Q HN 0.396 nan 8.270 nan 0.000 0.438 289 I N -0.350 120.287 120.570 0.112 0.000 2.163 289 I HA -0.280 3.890 4.170 0.001 0.000 0.240 289 I C 1.897 177.900 176.117 -0.190 0.000 1.081 289 I CA 1.346 62.485 61.300 -0.269 0.000 1.353 289 I CB -0.542 37.150 38.000 -0.513 0.000 1.054 289 I HN 0.142 nan 8.210 nan 0.000 0.407 290 Y N 1.418 121.727 120.300 0.014 0.000 2.128 290 Y HA -0.164 4.387 4.550 0.001 0.000 0.284 290 Y C 2.734 178.674 175.900 0.068 0.000 1.154 290 Y CA 1.576 59.705 58.100 0.047 0.000 1.149 290 Y CB -1.313 37.184 38.460 0.061 0.000 0.976 290 Y HN 0.124 nan 8.280 nan 0.000 0.505 291 G N -0.461 108.487 108.800 0.246 0.000 2.433 291 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 291 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 291 G C 1.946 176.957 174.900 0.186 0.000 1.186 291 G CA 1.183 46.401 45.100 0.197 0.000 0.779 291 G HN 0.485 nan 8.290 nan 0.000 0.543 292 A N 1.170 124.117 122.820 0.211 0.000 1.908 292 A HA 0.220 4.541 4.320 0.001 0.000 0.218 292 A C 2.835 180.494 177.584 0.125 0.000 1.181 292 A CA 2.460 54.634 52.037 0.227 0.000 0.627 292 A CB -0.873 18.357 19.000 0.383 0.000 0.818 292 A HN 0.841 nan 8.150 nan 0.000 0.445 293 A N -0.237 122.606 122.820 0.040 0.000 1.877 293 A HA -0.170 4.151 4.320 0.001 0.000 0.216 293 A C 2.272 179.912 177.584 0.093 0.000 1.186 293 A CA 1.599 53.628 52.037 -0.012 0.000 0.620 293 A CB -0.466 18.496 19.000 -0.064 0.000 0.822 293 A HN 0.561 nan 8.150 nan 0.000 0.443 294 R N -0.583 119.991 120.500 0.122 0.000 2.075 294 R HA -0.021 4.320 4.340 0.001 0.000 0.232 294 R C 2.548 178.926 176.300 0.130 0.000 1.126 294 R CA 1.134 57.311 56.100 0.129 0.000 0.963 294 R CB -0.503 29.878 30.300 0.135 0.000 0.858 294 R HN 0.505 nan 8.270 nan 0.000 0.435 295 A N 1.201 124.103 122.820 0.138 0.000 1.865 295 A HA -0.222 4.099 4.320 0.001 0.000 0.217 295 A C 2.001 179.650 177.584 0.107 0.000 1.191 295 A CA 1.311 53.420 52.037 0.119 0.000 0.623 295 A CB -0.877 18.206 19.000 0.138 0.000 0.826 295 A HN 0.340 nan 8.150 nan 0.000 0.444 296 F N 0.521 120.463 119.950 -0.014 0.000 2.045 296 F HA -0.298 4.230 4.527 0.001 0.000 0.297 296 F C 2.577 178.344 175.800 -0.056 0.000 1.114 296 F CA 2.275 60.231 58.000 -0.074 0.000 1.207 296 F CB -0.171 38.714 39.000 -0.192 0.000 0.964 296 F HN 0.269 nan 8.300 nan 0.000 0.486 297 A N -0.773 122.237 122.820 0.317 0.000 1.935 297 A HA -0.054 4.267 4.320 0.001 0.000 0.214 297 A C 1.960 179.618 177.584 0.124 0.000 1.178 297 A CA 1.241 53.417 52.037 0.233 0.000 0.640 297 A CB -0.608 18.494 19.000 0.170 0.000 0.825 297 A HN 0.527 nan 8.150 nan 0.000 0.447 298 E N 0.605 120.864 120.200 0.098 0.000 2.158 298 E HA 0.017 4.368 4.350 0.001 0.000 0.191 298 E C 0.353 176.977 176.600 0.040 0.000 0.982 298 E CA 0.266 56.707 56.400 0.067 0.000 0.823 298 E CB -0.053 29.688 29.700 0.067 0.000 0.766 298 E HN 0.407 nan 8.360 nan 0.000 0.468 299 S N 0.704 116.415 115.700 0.019 0.000 2.558 299 S HA 0.025 4.496 4.470 0.001 0.000 0.287 299 S C 1.164 175.748 174.600 -0.026 0.000 1.321 299 S CA 0.065 58.255 58.200 -0.017 0.000 1.048 299 S CB 1.176 64.341 63.200 -0.059 0.000 0.844 299 S HN 0.352 nan 8.310 nan 0.000 0.512 300 A N 2.182 124.986 122.820 -0.026 0.000 1.933 300 A HA 0.332 4.652 4.320 0.001 0.000 0.218 300 A C 0.964 178.523 177.584 -0.042 0.000 1.175 300 A CA 1.312 53.336 52.037 -0.021 0.000 0.628 300 A CB -0.284 18.707 19.000 -0.016 0.000 0.814 300 A HN 1.170 nan 8.150 nan 0.000 0.444 301 A N -1.574 121.197 122.820 -0.082 0.000 2.456 301 A HA 0.580 4.901 4.320 0.001 0.000 0.288 301 A C -0.549 176.921 177.584 -0.190 0.000 1.042 301 A CA -0.239 51.732 52.037 -0.110 0.000 0.738 301 A CB 0.839 19.780 19.000 -0.099 0.000 1.266 301 A HN 0.080 nan 8.150 nan 0.000 0.407 302 T N 2.960 117.389 114.554 -0.209 0.000 2.792 302 T HA 0.595 4.945 4.350 0.001 0.000 0.280 302 T C -0.328 174.284 174.700 -0.146 0.000 0.990 302 T CA -0.110 61.793 62.100 -0.329 0.000 0.960 302 T CB 1.030 69.477 68.868 -0.702 0.000 0.939 302 T HN 0.711 nan 8.240 nan 0.000 0.439 303 M N 2.859 122.358 119.600 -0.169 0.000 2.227 303 M HA 0.543 5.024 4.480 0.001 0.000 0.335 303 M C -0.761 175.708 176.300 0.282 0.000 1.053 303 M CA -0.330 55.006 55.300 0.062 0.000 0.973 303 M CB 1.051 33.610 32.600 -0.070 0.000 1.623 303 M HN 0.447 nan 8.290 nan 0.000 0.434 304 S N 4.940 120.958 115.700 0.530 0.000 2.565 304 S HA 0.811 5.282 4.470 0.001 0.000 0.290 304 S C -1.048 173.928 174.600 0.627 0.000 1.150 304 S CA -0.641 57.992 58.200 0.723 0.000 1.058 304 S CB 1.143 65.000 63.200 1.096 0.000 1.032 304 S HN 0.645 nan 8.310 nan 0.000 0.510 305 L N 2.555 124.109 121.223 0.552 0.000 2.455 305 L HA 0.747 5.088 4.340 0.001 0.000 0.264 305 L C -1.160 175.957 176.870 0.411 0.000 0.968 305 L CA -0.436 54.616 54.840 0.353 0.000 0.827 305 L CB 1.547 43.732 42.059 0.209 0.000 1.317 305 L HN 0.916 nan 8.230 nan 0.000 0.407 306 W N 1.424 122.786 121.300 0.104 0.000 3.118 306 W HA 0.820 5.481 4.660 0.001 0.000 0.328 306 W C -1.102 175.461 176.519 0.074 0.000 1.239 306 W CA -0.656 56.723 57.345 0.057 0.000 1.176 306 W CB 0.946 30.428 29.460 0.037 0.000 1.433 306 W HN 0.632 nan 8.180 nan 0.000 0.562 307 C N 1.341 120.796 119.300 0.258 0.000 4.331 307 C HA 0.345 4.806 4.460 0.001 0.000 0.199 307 C C 1.797 176.923 174.990 0.227 0.000 3.717 307 C CA -0.223 58.903 59.018 0.180 0.000 1.767 307 C CB 0.331 28.173 27.740 0.170 0.000 4.439 307 C HN 0.863 nan 8.230 nan 0.000 0.476 308 M N 1.404 121.104 119.600 0.166 0.000 2.296 308 M HA 0.071 4.552 4.480 0.001 0.000 0.265 308 M C 1.872 178.245 176.300 0.123 0.000 1.064 308 M CA 1.712 57.092 55.300 0.132 0.000 1.109 308 M CB -2.015 30.636 32.600 0.084 0.000 1.396 308 M HN 0.853 nan 8.290 nan 0.000 0.430 309 G N 0.134 109.012 108.800 0.128 0.000 2.443 309 G HA2 -0.119 3.842 3.960 0.001 0.000 0.219 309 G HA3 -0.119 3.842 3.960 0.001 0.000 0.219 309 G C 1.559 176.514 174.900 0.092 0.000 1.131 309 G CA 0.313 45.477 45.100 0.107 0.000 0.775 309 G HN 0.325 nan 8.290 nan 0.000 0.547 310 I N 1.058 121.707 120.570 0.131 0.000 2.429 310 I HA -0.002 4.169 4.170 0.001 0.000 0.247 310 I C 2.052 178.226 176.117 0.094 0.000 1.099 310 I CA 0.777 62.128 61.300 0.085 0.000 1.422 310 I CB -0.815 37.226 38.000 0.069 0.000 1.112 310 I HN 0.065 nan 8.210 nan 0.000 0.430 311 N N 1.044 119.845 118.700 0.170 0.000 2.207 311 N HA -0.103 4.638 4.740 0.001 0.000 0.182 311 N C 0.908 176.469 175.510 0.085 0.000 1.020 311 N CA 0.643 53.780 53.050 0.144 0.000 0.858 311 N CB -0.304 38.297 38.487 0.190 0.000 0.991 311 N HN 0.418 nan 8.380 nan 0.000 0.427 312 Q N 1.205 121.059 119.800 0.089 0.000 3.184 312 Q HA 0.202 4.542 4.340 0.001 0.000 0.288 312 Q C -0.536 175.481 176.000 0.028 0.000 1.412 312 Q CA 0.250 56.100 55.803 0.079 0.000 0.991 312 Q CB 0.165 28.989 28.738 0.143 0.000 1.688 312 Q HN 0.029 nan 8.270 nan 0.000 0.554 313 R N -0.009 120.486 120.500 -0.009 0.000 2.604 313 R HA 0.088 4.428 4.340 0.001 0.000 0.270 313 R C 0.655 176.911 176.300 -0.074 0.000 1.052 313 R CA -0.276 55.804 56.100 -0.032 0.000 0.902 313 R CB 1.267 31.553 30.300 -0.023 0.000 1.233 313 R HN 0.260 nan 8.270 nan 0.000 0.455 314 V N -0.625 119.240 119.914 -0.083 0.000 2.867 314 V HA -0.121 4.000 4.120 0.001 0.000 0.260 314 V C 0.846 176.835 176.094 -0.176 0.000 1.099 314 V CA 1.429 63.657 62.300 -0.121 0.000 1.122 314 V CB -0.343 31.422 31.823 -0.096 0.000 0.708 314 V HN 0.632 nan 8.190 nan 0.000 0.490 315 Q N 0.294 120.013 119.800 -0.136 0.000 2.206 315 Q HA 0.337 4.678 4.340 0.001 0.000 0.265 315 Q C 1.780 177.717 176.000 -0.105 0.000 0.866 315 Q CA 0.370 56.079 55.803 -0.157 0.000 1.073 315 Q CB 0.958 29.686 28.738 -0.018 0.000 1.165 315 Q HN 0.713 nan 8.270 nan 0.000 0.465 316 G N 0.362 109.092 108.800 -0.117 0.000 2.433 316 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 316 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 316 G C 1.351 176.227 174.900 -0.040 0.000 1.186 316 G CA 0.688 45.754 45.100 -0.057 0.000 0.779 316 G HN 0.256 nan 8.290 nan 0.000 0.543 317 V N 0.675 120.541 119.914 -0.079 0.000 2.287 317 V HA -0.141 3.980 4.120 0.001 0.000 0.248 317 V C 2.599 178.758 176.094 0.109 0.000 1.053 317 V CA 1.512 63.804 62.300 -0.013 0.000 1.027 317 V CB -0.646 31.129 31.823 -0.079 0.000 0.646 317 V HN 0.238 nan 8.190 nan 0.000 0.447 318 F N 0.935 120.812 119.950 -0.121 0.000 2.095 318 F HA -0.151 4.377 4.527 0.001 0.000 0.298 318 F C 2.530 178.244 175.800 -0.144 0.000 1.104 318 F CA 1.093 59.021 58.000 -0.120 0.000 1.232 318 F CB -1.605 37.348 39.000 -0.078 0.000 0.987 318 F HN 0.145 nan 8.300 nan 0.000 0.475 319 A N 0.323 123.167 122.820 0.040 0.000 1.908 319 A HA -0.233 4.087 4.320 0.001 0.000 0.218 319 A C 2.229 179.652 177.584 -0.269 0.000 1.181 319 A CA 1.915 53.881 52.037 -0.119 0.000 0.627 319 A CB -1.006 17.924 19.000 -0.116 0.000 0.818 319 A HN 0.435 nan 8.150 nan 0.000 0.445 320 N N 0.002 118.550 118.700 -0.253 0.000 2.069 320 N HA -0.178 4.563 4.740 0.001 0.000 0.191 320 N C 1.571 176.840 175.510 -0.402 0.000 1.031 320 N CA 1.748 54.530 53.050 -0.447 0.000 0.852 320 N CB -0.445 37.968 38.487 -0.122 0.000 1.018 320 N HN 0.684 nan 8.380 nan 0.000 0.423 321 N N 0.651 119.306 118.700 -0.075 0.000 2.149 321 N HA -0.122 4.619 4.740 0.001 0.000 0.188 321 N C 1.553 177.056 175.510 -0.012 0.000 1.019 321 N CA 0.660 53.752 53.050 0.071 0.000 0.857 321 N CB -0.060 38.455 38.487 0.046 0.000 0.997 321 N HN 0.054 nan 8.380 nan 0.000 0.426 322 L N 0.702 121.850 121.223 -0.125 0.000 2.141 322 L HA -0.023 4.318 4.340 0.001 0.000 0.209 322 L C 1.814 178.601 176.870 -0.138 0.000 1.094 322 L CA 1.138 55.886 54.840 -0.153 0.000 0.763 322 L CB -0.338 41.548 42.059 -0.288 0.000 0.908 322 L HN 0.222 nan 8.230 nan 0.000 0.437 323 I N -1.523 118.894 120.570 -0.254 0.000 2.142 323 I HA -0.307 3.864 4.170 0.001 0.000 0.240 323 I C 2.478 178.618 176.117 0.039 0.000 1.078 323 I CA 0.987 62.171 61.300 -0.193 0.000 1.343 323 I CB -0.581 37.045 38.000 -0.623 0.000 1.046 323 I HN 0.314 nan 8.210 nan 0.000 0.405 324 H N 0.967 120.097 119.070 0.099 0.000 2.422 324 H HA -0.135 4.422 4.556 0.001 0.000 0.298 324 H C 2.010 177.444 175.328 0.176 0.000 1.098 324 H CA 1.321 57.521 56.048 0.253 0.000 1.315 324 H CB -0.736 29.164 29.762 0.231 0.000 1.382 324 H HN 0.385 nan 8.280 nan 0.000 0.523 325 N N 0.863 119.660 118.700 0.162 0.000 2.094 325 N HA -0.119 4.622 4.740 0.001 0.000 0.191 325 N C 2.273 177.836 175.510 0.089 0.000 1.023 325 N CA 0.683 53.778 53.050 0.075 0.000 0.857 325 N CB -0.557 37.983 38.487 0.088 0.000 1.013 325 N HN 0.322 nan 8.380 nan 0.000 0.426 326 L N 0.060 121.284 121.223 0.001 0.000 2.056 326 L HA -0.147 4.193 4.340 0.001 0.000 0.207 326 L C 2.214 179.051 176.870 -0.056 0.000 1.078 326 L CA 1.058 55.736 54.840 -0.271 0.000 0.749 326 L CB -0.509 41.043 42.059 -0.845 0.000 0.901 326 L HN 0.342 nan 8.230 nan 0.000 0.433 327 H N -0.161 119.087 119.070 0.296 0.000 2.389 327 H HA -0.055 4.501 4.556 0.001 0.000 0.299 327 H C 2.340 177.807 175.328 0.231 0.000 1.081 327 H CA 1.312 57.587 56.048 0.379 0.000 1.345 327 H CB 0.141 30.156 29.762 0.422 0.000 1.393 327 H HN 0.340 nan 8.280 nan 0.000 0.520 328 L N -0.196 121.226 121.223 0.332 0.000 2.131 328 L HA -0.091 4.250 4.340 0.001 0.000 0.206 328 L C 2.353 179.454 176.870 0.384 0.000 1.087 328 L CA 0.261 55.303 54.840 0.336 0.000 0.767 328 L CB -0.116 42.030 42.059 0.146 0.000 0.917 328 L HN 0.104 nan 8.230 nan 0.000 0.441 329 I N 0.009 120.736 120.570 0.263 0.000 2.676 329 I HA -0.195 3.976 4.170 0.001 0.000 0.259 329 I C 2.225 178.588 176.117 0.410 0.000 1.194 329 I CA 1.639 63.133 61.300 0.324 0.000 1.473 329 I CB -0.185 37.986 38.000 0.286 0.000 1.096 329 I HN 0.329 nan 8.210 nan 0.000 0.443 330 T N -3.939 110.788 114.554 0.288 0.000 2.971 330 T HA 0.351 4.702 4.350 0.001 0.000 0.252 330 T C 1.543 176.303 174.700 0.100 0.000 1.022 330 T CA 0.285 62.522 62.100 0.228 0.000 0.980 330 T CB 0.139 69.144 68.868 0.228 0.000 1.044 330 T HN 0.384 nan 8.240 nan 0.000 0.501 331 G N 2.093 110.826 108.800 -0.112 0.000 2.160 331 G HA2 -0.237 3.724 3.960 0.001 0.000 0.251 331 G HA3 -0.237 3.724 3.960 0.001 0.000 0.251 331 G C 0.168 174.828 174.900 -0.401 0.000 1.008 331 G CA -0.042 44.590 45.100 -0.780 0.000 0.724 331 G HN 0.550 nan 8.290 nan 0.000 0.514 332 Q N -0.396 119.355 119.800 -0.082 0.000 3.184 332 Q HA 0.578 4.919 4.340 0.001 0.000 0.288 332 Q C 0.353 176.432 176.000 0.131 0.000 1.412 332 Q CA 0.474 56.305 55.803 0.047 0.000 0.991 332 Q CB 0.061 28.867 28.738 0.114 0.000 1.688 332 Q HN 0.775 nan 8.270 nan 0.000 0.554 333 I N -2.108 118.416 120.570 -0.076 0.000 2.842 333 I HA 0.096 4.267 4.170 0.001 0.000 0.296 333 I C -0.583 175.391 176.117 -0.239 0.000 1.538 333 I CA -0.447 60.813 61.300 -0.067 0.000 0.994 333 I CB 1.722 39.760 38.000 0.063 0.000 1.372 333 I HN 0.413 nan 8.210 nan 0.000 0.478 334 C N 2.992 122.169 119.300 -0.205 0.000 4.356 334 C HA -0.151 4.310 4.460 0.001 0.000 0.296 334 C C 0.405 175.257 174.990 -0.231 0.000 1.424 334 C CA 0.769 59.582 59.018 -0.341 0.000 2.000 334 C CB -2.777 24.445 27.740 -0.863 0.000 1.262 334 C HN 0.713 nan 8.230 nan 0.000 0.789 335 R N -0.261 120.170 120.500 -0.115 0.000 2.668 335 R HA 0.472 4.813 4.340 0.001 0.000 0.272 335 R C -2.850 173.428 176.300 -0.037 0.000 1.019 335 R CA -1.502 54.576 56.100 -0.036 0.000 0.894 335 R CB 1.786 32.070 30.300 -0.027 0.000 1.228 335 R HN -0.113 nan 8.270 nan 0.000 0.460 336 P HA 0.091 nan 4.420 nan 0.000 0.267 336 P C 0.321 177.595 177.300 -0.042 0.000 1.209 336 P CA 0.890 63.972 63.100 -0.031 0.000 0.763 336 P CB 0.877 32.566 31.700 -0.019 0.000 0.816 337 G N 2.324 111.089 108.800 -0.058 0.000 2.258 337 G HA2 -0.119 3.842 3.960 0.001 0.000 0.233 337 G HA3 -0.119 3.842 3.960 0.001 0.000 0.233 337 G C 0.183 175.021 174.900 -0.104 0.000 1.006 337 G CA 0.011 45.055 45.100 -0.093 0.000 0.620 337 G HN 0.875 nan 8.290 nan 0.000 0.511 338 A N 0.004 122.788 122.820 -0.059 0.000 2.323 338 A HA 0.880 5.201 4.320 0.001 0.000 0.305 338 A C -0.159 177.429 177.584 0.006 0.000 1.275 338 A CA 0.783 52.806 52.037 -0.023 0.000 0.804 338 A CB 1.557 20.539 19.000 -0.030 0.000 1.152 338 A HN 1.310 nan 8.150 nan 0.000 0.487 339 T N 0.299 114.873 114.554 0.033 0.000 2.770 339 T HA 0.423 4.773 4.350 0.001 0.000 0.323 339 T C -1.196 173.391 174.700 -0.187 0.000 1.683 339 T CA -0.173 61.915 62.100 -0.021 0.000 1.024 339 T CB 1.560 70.453 68.868 0.041 0.000 1.557 339 T HN 0.747 nan 8.240 nan 0.000 0.494 340 S N 2.264 117.875 115.700 -0.149 0.000 2.505 340 S HA 0.574 5.045 4.470 0.001 0.000 0.280 340 S C -1.145 173.715 174.600 0.434 0.000 1.197 340 S CA -0.515 57.703 58.200 0.029 0.000 1.138 340 S CB -0.609 62.752 63.200 0.270 0.000 1.010 340 S HN 0.470 nan 8.310 nan 0.000 0.480 341 F N 5.078 125.129 119.950 0.168 0.000 2.293 341 F HA 0.403 4.931 4.527 0.001 0.000 0.370 341 F C 0.502 175.926 175.800 -0.627 0.000 1.090 341 F CA -0.520 57.433 58.000 -0.078 0.000 1.133 341 F CB 0.823 39.805 39.000 -0.030 0.000 1.360 341 F HN 0.483 nan 8.300 nan 0.000 0.489 342 S N 6.694 121.765 115.700 -1.048 0.000 2.516 342 S HA 0.326 4.797 4.470 0.001 0.000 0.282 342 S C -0.313 173.912 174.600 -0.624 0.000 1.286 342 S CA -0.589 56.786 58.200 -1.376 0.000 1.066 342 S CB 0.201 62.926 63.200 -0.792 0.000 0.884 342 S HN 0.658 nan 8.310 nan 0.000 0.491 343 L N 4.710 125.655 121.223 -0.462 0.000 2.305 343 L HA 0.340 4.681 4.340 0.001 0.000 0.281 343 L C 0.535 177.384 176.870 -0.036 0.000 1.085 343 L CA -0.400 54.348 54.840 -0.152 0.000 0.813 343 L CB 1.415 43.295 42.059 -0.298 0.000 1.157 343 L HN 0.667 nan 8.230 nan 0.000 0.436 344 T N 2.087 116.715 114.554 0.123 0.000 2.829 344 T HA 0.236 4.587 4.350 0.001 0.000 0.282 344 T C 1.015 175.926 174.700 0.352 0.000 0.990 344 T CA -0.230 61.988 62.100 0.196 0.000 1.028 344 T CB 1.773 70.747 68.868 0.177 0.000 0.951 344 T HN 0.821 nan 8.240 nan 0.000 0.460 345 G N 1.860 110.834 108.800 0.291 0.000 2.426 345 G HA2 0.004 3.965 3.960 0.001 0.000 0.214 345 G HA3 0.004 3.965 3.960 0.001 0.000 0.214 345 G C 0.522 175.593 174.900 0.285 0.000 1.156 345 G CA 0.353 45.617 45.100 0.273 0.000 0.802 345 G HN 0.570 nan 8.290 nan 0.000 0.534 346 Q N -0.032 119.934 119.800 0.276 0.000 2.227 346 Q HA 0.225 4.566 4.340 0.001 0.000 0.245 346 Q C -1.491 174.604 176.000 0.157 0.000 0.926 346 Q CA -2.117 53.869 55.803 0.305 0.000 0.895 346 Q CB 2.361 31.247 28.738 0.248 0.000 1.230 346 Q HN 0.026 nan 8.270 nan 0.000 0.450 347 P HA -0.128 nan 4.420 nan 0.000 0.220 347 P C 0.241 177.345 177.300 -0.328 0.000 1.148 347 P CA 1.467 64.420 63.100 -0.245 0.000 0.803 347 P CB 0.446 31.767 31.700 -0.631 0.000 0.782 348 N N -1.708 116.831 118.700 -0.267 0.000 2.387 348 N HA 0.266 5.007 4.740 0.001 0.000 0.259 348 N C 1.070 176.613 175.510 0.055 0.000 1.369 348 N CA 0.033 53.017 53.050 -0.110 0.000 0.867 348 N CB -0.168 38.229 38.487 -0.150 0.000 1.341 348 N HN -0.182 nan 8.380 nan 0.000 0.495 349 A N -0.479 122.399 122.820 0.096 0.000 1.933 349 A HA -0.110 4.211 4.320 0.001 0.000 0.218 349 A C 2.263 179.949 177.584 0.169 0.000 1.175 349 A CA 1.343 53.460 52.037 0.135 0.000 0.628 349 A CB -0.747 18.342 19.000 0.148 0.000 0.814 349 A HN 0.484 nan 8.150 nan 0.000 0.444 350 C N -1.336 118.083 119.300 0.197 0.000 2.541 350 C HA 0.106 4.566 4.460 0.001 0.000 0.282 350 C C 3.087 178.266 174.990 0.316 0.000 1.263 350 C CA 0.648 59.829 59.018 0.271 0.000 1.709 350 C CB -1.547 26.367 27.740 0.290 0.000 2.097 350 C HN 0.665 nan 8.230 nan 0.000 0.480 351 G N 0.100 109.077 108.800 0.295 0.000 2.459 351 G HA2 -0.016 3.944 3.960 0.001 0.000 0.217 351 G HA3 -0.016 3.944 3.960 0.001 0.000 0.217 351 G C 1.745 176.737 174.900 0.152 0.000 1.183 351 G CA 1.364 46.572 45.100 0.180 0.000 0.776 351 G HN 0.612 nan 8.290 nan 0.000 0.552 352 G N -0.677 108.206 108.800 0.139 0.000 2.441 352 G HA2 0.119 4.080 3.960 0.001 0.000 0.212 352 G HA3 0.119 4.080 3.960 0.001 0.000 0.212 352 G C 1.576 176.519 174.900 0.072 0.000 1.164 352 G CA 1.177 46.341 45.100 0.106 0.000 0.811 352 G HN 0.337 nan 8.290 nan 0.000 0.535 353 V N -0.080 119.896 119.914 0.103 0.000 2.690 353 V HA 0.134 4.255 4.120 0.001 0.000 0.240 353 V C 2.678 178.824 176.094 0.088 0.000 1.078 353 V CA 0.902 63.257 62.300 0.091 0.000 1.102 353 V CB -0.123 31.768 31.823 0.113 0.000 0.800 353 V HN 0.154 nan 8.190 nan 0.000 0.479 354 R N 0.522 121.104 120.500 0.136 0.000 2.055 354 R HA -0.045 4.296 4.340 0.001 0.000 0.226 354 R C 2.039 178.411 176.300 0.119 0.000 1.135 354 R CA 1.626 57.816 56.100 0.150 0.000 0.959 354 R CB -0.363 30.069 30.300 0.220 0.000 0.854 354 R HN 0.443 nan 8.270 nan 0.000 0.431 355 D N 0.026 120.541 120.400 0.193 0.000 2.117 355 D HA -0.081 4.560 4.640 0.001 0.000 0.198 355 D C 1.812 178.212 176.300 0.167 0.000 0.982 355 D CA 1.475 55.579 54.000 0.174 0.000 0.828 355 D CB -0.549 40.461 40.800 0.350 0.000 0.967 355 D HN 0.383 nan 8.370 nan 0.000 0.464 356 G N -0.119 108.731 108.800 0.083 0.000 2.776 356 G HA2 0.127 4.088 3.960 0.001 0.000 0.209 356 G HA3 0.127 4.088 3.960 0.001 0.000 0.209 356 G C 1.168 175.926 174.900 -0.236 0.000 1.145 356 G CA 0.491 45.419 45.100 -0.287 0.000 0.791 356 G HN 0.467 nan 8.290 nan 0.000 0.530 357 G N -0.537 108.190 108.800 -0.122 0.000 2.366 357 G HA2 0.044 4.005 3.960 0.001 0.000 0.299 357 G HA3 0.044 4.005 3.960 0.001 0.000 0.299 357 G C 0.625 175.470 174.900 -0.092 0.000 1.020 357 G CA 0.352 45.379 45.100 -0.123 0.000 1.026 357 G HN 1.325 nan 8.290 nan 0.000 0.512 358 A N -0.336 122.456 122.820 -0.047 0.000 2.988 358 A HA 0.703 5.024 4.320 0.001 0.000 0.288 358 A C 0.327 177.956 177.584 0.075 0.000 1.385 358 A CA 0.011 52.048 52.037 0.000 0.000 1.001 358 A CB 0.191 19.196 19.000 0.008 0.000 1.071 358 A HN 0.478 nan 8.150 nan 0.000 0.608 359 L N -0.741 120.511 121.223 0.048 0.000 2.301 359 L HA 0.429 4.770 4.340 0.001 0.000 0.264 359 L C 1.775 178.717 176.870 0.120 0.000 1.016 359 L CA 0.399 55.311 54.840 0.120 0.000 0.821 359 L CB 1.647 43.785 42.059 0.132 0.000 1.346 359 L HN 0.361 nan 8.230 nan 0.000 0.429 360 S N -0.343 115.509 115.700 0.254 0.000 2.419 360 S HA -0.156 4.314 4.470 0.001 0.000 0.233 360 S C 1.215 175.952 174.600 0.229 0.000 1.016 360 S CA 1.396 59.742 58.200 0.242 0.000 0.974 360 S CB -0.531 62.831 63.200 0.270 0.000 0.786 360 S HN 0.769 nan 8.310 nan 0.000 0.492 361 H N 0.471 119.603 119.070 0.104 0.000 2.529 361 H HA 0.534 5.091 4.556 0.001 0.000 0.277 361 H C 0.323 175.698 175.328 0.078 0.000 1.004 361 H CA -0.520 55.579 56.048 0.086 0.000 1.167 361 H CB -0.390 29.423 29.762 0.084 0.000 1.445 361 H HN 0.367 nan 8.280 nan 0.000 0.554 362 L N 0.722 121.790 121.223 -0.258 0.000 2.301 362 L HA 0.549 4.890 4.340 0.001 0.000 0.264 362 L C -0.571 176.230 176.870 -0.114 0.000 1.016 362 L CA -1.124 53.568 54.840 -0.246 0.000 0.821 362 L CB 2.552 44.407 42.059 -0.341 0.000 1.346 362 L HN -0.018 nan 8.230 nan 0.000 0.429 363 L N 0.579 121.729 121.223 -0.123 0.000 2.327 363 L HA 0.566 4.907 4.340 0.001 0.000 0.258 363 L C -2.468 174.289 176.870 -0.188 0.000 1.024 363 L CA -1.903 52.849 54.840 -0.146 0.000 0.825 363 L CB 2.741 44.703 42.059 -0.160 0.000 1.386 363 L HN 0.258 nan 8.230 nan 0.000 0.417 364 P HA 0.062 nan 4.420 nan 0.000 0.266 364 P C -0.429 176.846 177.300 -0.042 0.000 1.195 364 P CA 0.234 63.258 63.100 -0.126 0.000 0.768 364 P CB 0.626 32.260 31.700 -0.109 0.000 0.838 365 A N 3.061 125.908 122.820 0.046 0.000 2.667 365 A HA 0.050 4.370 4.320 0.001 0.000 0.298 365 A C 1.357 178.611 177.584 -0.550 0.000 1.483 365 A CA 1.097 52.975 52.037 -0.265 0.000 0.738 365 A CB -2.367 16.627 19.000 -0.009 0.000 1.067 365 A HN 1.085 nan 8.150 nan 0.000 0.451 366 G N -1.844 106.514 108.800 -0.738 0.000 2.195 366 G HA2 -0.239 3.722 3.960 0.001 0.000 0.246 366 G HA3 -0.239 3.722 3.960 0.001 0.000 0.246 366 G C 0.254 175.017 174.900 -0.228 0.000 0.984 366 G CA 0.753 45.648 45.100 -0.342 0.000 0.633 366 G HN 1.232 nan 8.290 nan 0.000 0.525 367 R N 0.565 120.863 120.500 -0.336 0.000 2.560 367 R HA 0.693 5.034 4.340 0.001 0.000 0.270 367 R C 0.318 176.584 176.300 -0.057 0.000 1.074 367 R CA 0.338 56.174 56.100 -0.439 0.000 1.140 367 R CB 1.078 31.099 30.300 -0.465 0.000 1.073 367 R HN 0.567 nan 8.270 nan 0.000 0.527 368 A N 2.182 125.157 122.820 0.258 0.000 2.365 368 A HA 0.332 4.653 4.320 0.001 0.000 0.318 368 A C 0.884 178.550 177.584 0.137 0.000 1.091 368 A CA -0.743 51.400 52.037 0.176 0.000 0.763 368 A CB 0.812 19.938 19.000 0.211 0.000 1.248 368 A HN 0.627 nan 8.150 nan 0.000 0.442 369 I N 1.561 122.180 120.570 0.082 0.000 2.163 369 I HA -0.104 4.067 4.170 0.001 0.000 0.243 369 I C -0.673 175.486 176.117 0.070 0.000 1.085 369 I CA 1.658 63.002 61.300 0.073 0.000 1.347 369 I CB -1.935 36.113 38.000 0.080 0.000 1.044 369 I HN 0.434 nan 8.210 nan 0.000 0.408 370 P HA -0.086 nan 4.420 nan 0.000 0.231 370 P C 0.392 177.703 177.300 0.020 0.000 1.158 370 P CA 0.804 63.934 63.100 0.051 0.000 0.763 370 P CB -0.234 31.503 31.700 0.062 0.000 0.805 371 N N 0.330 119.034 118.700 0.007 0.000 2.420 371 N HA 0.199 4.939 4.740 0.001 0.000 0.249 371 N C 1.054 176.522 175.510 -0.071 0.000 1.033 371 N CA -0.085 52.912 53.050 -0.087 0.000 0.944 371 N CB 1.041 39.374 38.487 -0.257 0.000 1.113 371 N HN -0.177 nan 8.380 nan 0.000 0.502 372 A N 4.738 127.522 122.820 -0.059 0.000 1.940 372 A HA -0.164 4.157 4.320 0.001 0.000 0.219 372 A C 1.993 179.557 177.584 -0.032 0.000 1.176 372 A CA 1.451 53.470 52.037 -0.029 0.000 0.631 372 A CB -0.147 18.841 19.000 -0.020 0.000 0.814 372 A HN 0.710 nan 8.150 nan 0.000 0.446 373 K N -0.920 119.435 120.400 -0.076 0.000 2.057 373 K HA -0.118 4.202 4.320 0.001 0.000 0.207 373 K C 1.992 178.618 176.600 0.044 0.000 1.049 373 K CA 1.584 57.846 56.287 -0.041 0.000 0.931 373 K CB -0.328 32.128 32.500 -0.074 0.000 0.714 373 K HN 0.586 nan 8.250 nan 0.000 0.440 374 H N 0.401 119.455 119.070 -0.026 0.000 2.353 374 H HA -0.000 4.557 4.556 0.001 0.000 0.300 374 H C 1.999 177.280 175.328 -0.078 0.000 1.090 374 H CA 1.263 57.279 56.048 -0.053 0.000 1.327 374 H CB -0.089 29.647 29.762 -0.043 0.000 1.383 374 H HN 0.134 nan 8.280 nan 0.000 0.508 375 R N 0.262 120.804 120.500 0.070 0.000 2.080 375 R HA -0.112 4.228 4.340 0.001 0.000 0.236 375 R C 2.509 178.805 176.300 -0.007 0.000 1.137 375 R CA 1.290 57.399 56.100 0.014 0.000 0.943 375 R CB -0.405 29.910 30.300 0.025 0.000 0.846 375 R HN 0.295 nan 8.270 nan 0.000 0.431 376 A N 1.337 124.160 122.820 0.004 0.000 1.908 376 A HA -0.220 4.100 4.320 0.001 0.000 0.218 376 A C 1.942 179.513 177.584 -0.022 0.000 1.181 376 A CA 1.538 53.574 52.037 -0.003 0.000 0.627 376 A CB -0.467 18.534 19.000 0.003 0.000 0.818 376 A HN 0.363 nan 8.150 nan 0.000 0.445 377 E N -1.208 118.980 120.200 -0.021 0.000 2.130 377 E HA -0.219 4.132 4.350 0.001 0.000 0.196 377 E C 1.951 178.469 176.600 -0.137 0.000 0.998 377 E CA 1.462 57.828 56.400 -0.056 0.000 0.806 377 E CB -0.184 29.496 29.700 -0.034 0.000 0.738 377 E HN 0.496 nan 8.360 nan 0.000 0.459 378 M N -0.118 119.365 119.600 -0.195 0.000 2.325 378 M HA -0.033 4.448 4.480 0.001 0.000 0.265 378 M C 1.857 178.025 176.300 -0.219 0.000 1.094 378 M CA 1.179 56.239 55.300 -0.399 0.000 1.161 378 M CB -0.562 31.701 32.600 -0.562 0.000 1.358 378 M HN 0.020 nan 8.290 nan 0.000 0.446 379 E N 0.308 120.474 120.200 -0.057 0.000 2.085 379 E HA -0.220 4.130 4.350 0.001 0.000 0.194 379 E C 2.071 178.703 176.600 0.054 0.000 0.994 379 E CA 1.302 57.733 56.400 0.051 0.000 0.801 379 E CB -0.056 29.670 29.700 0.043 0.000 0.743 379 E HN 0.379 nan 8.360 nan 0.000 0.453 380 K N 0.701 121.106 120.400 0.008 0.000 2.026 380 K HA -0.150 4.171 4.320 0.001 0.000 0.208 380 K C 2.128 178.744 176.600 0.027 0.000 1.048 380 K CA 1.024 57.318 56.287 0.011 0.000 0.929 380 K CB -0.076 32.417 32.500 -0.012 0.000 0.713 380 K HN 0.078 nan 8.250 nan 0.000 0.439 381 L N -0.553 120.660 121.223 -0.017 0.000 2.093 381 L HA -0.171 4.170 4.340 0.001 0.000 0.208 381 L C 1.865 178.854 176.870 0.198 0.000 1.085 381 L CA 0.826 55.673 54.840 0.012 0.000 0.755 381 L CB -0.222 41.763 42.059 -0.124 0.000 0.904 381 L HN 0.383 nan 8.230 nan 0.000 0.435 382 W N -0.119 121.203 121.300 0.037 0.000 3.290 382 W HA 0.315 4.976 4.660 0.002 0.000 0.287 382 W C 1.333 177.856 176.519 0.007 0.000 1.288 382 W CA 0.321 57.686 57.345 0.034 0.000 1.725 382 W CB -0.903 28.564 29.460 0.011 0.000 1.103 382 W HN 0.228 nan 8.180 nan 0.000 0.670 383 G N 1.780 110.699 108.800 0.199 0.000 2.333 383 G HA2 -0.279 3.682 3.960 0.001 0.000 0.296 383 G HA3 -0.279 3.682 3.960 0.001 0.000 0.296 383 G C -0.286 174.666 174.900 0.087 0.000 1.059 383 G CA -0.056 45.107 45.100 0.106 0.000 1.050 383 G HN 0.158 nan 8.290 nan 0.000 0.508 384 L N -0.328 120.958 121.223 0.106 0.000 2.334 384 L HA 0.611 4.952 4.340 0.001 0.000 0.270 384 L C -1.630 175.273 176.870 0.056 0.000 1.018 384 L CA -2.551 52.340 54.840 0.084 0.000 0.811 384 L CB 1.321 43.457 42.059 0.127 0.000 1.271 384 L HN -0.027 nan 8.230 nan 0.000 0.443 385 P HA 0.121 nan 4.420 nan 0.000 0.272 385 P C -0.947 176.376 177.300 0.037 0.000 1.223 385 P CA -0.486 62.634 63.100 0.033 0.000 0.784 385 P CB 0.420 32.136 31.700 0.026 0.000 0.923 386 E N 0.547 120.764 120.200 0.029 0.000 2.414 386 E HA 0.256 4.607 4.350 0.001 0.000 0.263 386 E C 1.142 177.761 176.600 0.031 0.000 1.000 386 E CA 0.885 57.302 56.400 0.028 0.000 0.914 386 E CB -0.174 29.539 29.700 0.021 0.000 0.948 386 E HN 0.778 nan 8.360 nan 0.000 0.444 387 G N 2.795 111.616 108.800 0.035 0.000 2.179 387 G HA2 -0.389 3.571 3.960 0.001 0.000 0.260 387 G HA3 -0.389 3.571 3.960 0.001 0.000 0.260 387 G C 1.103 176.032 174.900 0.048 0.000 0.977 387 G CA 0.716 45.838 45.100 0.037 0.000 0.641 387 G HN 0.570 nan 8.290 nan 0.000 0.533 388 R N 0.700 121.233 120.500 0.055 0.000 2.091 388 R HA 0.104 4.445 4.340 0.001 0.000 0.238 388 R C 1.488 177.837 176.300 0.083 0.000 1.136 388 R CA 1.466 57.605 56.100 0.066 0.000 0.959 388 R CB -0.432 29.909 30.300 0.068 0.000 0.856 388 R HN 0.550 nan 8.270 nan 0.000 0.437 389 I N 2.089 122.713 120.570 0.090 0.000 2.587 389 I HA 0.069 4.239 4.170 0.001 0.000 0.284 389 I C 0.273 176.437 176.117 0.077 0.000 1.134 389 I CA -0.198 61.161 61.300 0.099 0.000 1.410 389 I CB 0.841 38.898 38.000 0.096 0.000 1.392 389 I HN 0.272 nan 8.210 nan 0.000 0.545 390 A N 9.971 132.842 122.820 0.084 0.000 2.477 390 A HA 0.297 4.618 4.320 0.001 0.000 0.246 390 A C -1.315 176.303 177.584 0.057 0.000 1.078 390 A CA -1.079 50.998 52.037 0.067 0.000 0.770 390 A CB -0.126 18.917 19.000 0.072 0.000 1.011 390 A HN 0.618 nan 8.150 nan 0.000 0.494 391 P HA -0.019 nan 4.420 nan 0.000 0.233 391 P C 0.221 177.545 177.300 0.040 0.000 1.167 391 P CA 0.725 63.849 63.100 0.040 0.000 0.770 391 P CB 0.193 31.911 31.700 0.031 0.000 0.837 392 E N 1.516 121.736 120.200 0.034 0.000 2.227 392 E HA 0.329 4.680 4.350 0.001 0.000 0.282 392 E C -2.479 174.141 176.600 0.032 0.000 1.015 392 E CA -3.465 52.950 56.400 0.024 0.000 0.823 392 E CB 0.175 29.874 29.700 -0.002 0.000 1.081 392 E HN -0.039 nan 8.360 nan 0.000 0.396 393 P HA 0.126 nan 4.420 nan 0.000 0.266 393 P C -0.040 177.267 177.300 0.012 0.000 1.195 393 P CA 0.101 63.250 63.100 0.081 0.000 0.768 393 P CB 0.851 32.631 31.700 0.133 0.000 0.838 394 G N 1.382 110.202 108.800 0.033 0.000 2.570 394 G HA2 0.150 4.111 3.960 0.001 0.000 0.276 394 G HA3 0.150 4.111 3.960 0.001 0.000 0.276 394 G C -0.895 173.970 174.900 -0.058 0.000 1.346 394 G CA -0.508 44.560 45.100 -0.054 0.000 1.034 394 G HN 0.388 nan 8.290 nan 0.000 0.512 395 Y N 0.513 120.849 120.300 0.060 0.000 2.465 395 Y HA 0.236 4.787 4.550 0.001 0.000 0.331 395 Y C 1.237 177.159 175.900 0.036 0.000 1.102 395 Y CA -0.323 57.761 58.100 -0.025 0.000 1.358 395 Y CB 0.207 38.619 38.460 -0.080 0.000 1.213 395 Y HN 0.680 nan 8.280 nan 0.000 0.525 396 H N -0.686 118.524 119.070 0.233 0.000 2.679 396 H HA 0.171 4.728 4.556 0.001 0.000 0.369 396 H C 1.061 176.507 175.328 0.196 0.000 1.178 396 H CA -0.224 55.940 56.048 0.193 0.000 1.419 396 H CB 0.400 30.231 29.762 0.115 0.000 1.458 396 H HN 0.681 nan 8.280 nan 0.000 0.605 397 T N 1.444 116.211 114.554 0.355 0.000 2.592 397 T HA -0.248 4.102 4.350 0.001 0.000 0.267 397 T C 2.137 176.964 174.700 0.210 0.000 1.060 397 T CA 2.115 64.399 62.100 0.307 0.000 1.167 397 T CB -0.357 68.718 68.868 0.344 0.000 0.863 397 T HN 0.478 nan 8.240 nan 0.000 0.431 398 V N 1.523 121.546 119.914 0.182 0.000 2.287 398 V HA -0.194 3.927 4.120 0.001 0.000 0.248 398 V C 2.831 178.915 176.094 -0.016 0.000 1.053 398 V CA 1.890 64.233 62.300 0.071 0.000 1.027 398 V CB -1.163 30.720 31.823 0.100 0.000 0.646 398 V HN 0.587 nan 8.190 nan 0.000 0.447 399 A N -0.540 122.156 122.820 -0.207 0.000 2.014 399 A HA -0.085 4.236 4.320 0.001 0.000 0.218 399 A C 2.084 179.496 177.584 -0.287 0.000 1.163 399 A CA 1.458 53.322 52.037 -0.288 0.000 0.652 399 A CB -0.449 18.229 19.000 -0.536 0.000 0.808 399 A HN 0.438 nan 8.150 nan 0.000 0.449 400 L N -1.050 120.051 121.223 -0.203 0.000 1.989 400 L HA -0.093 4.248 4.340 0.001 0.000 0.211 400 L C 2.061 178.670 176.870 -0.436 0.000 1.071 400 L CA 2.092 56.753 54.840 -0.299 0.000 0.749 400 L CB -1.012 40.977 42.059 -0.117 0.000 0.890 400 L HN 0.371 nan 8.230 nan 0.000 0.431 401 F N -0.103 119.670 119.950 -0.296 0.000 2.325 401 F HA -0.063 4.465 4.527 0.001 0.000 0.299 401 F C 2.379 178.030 175.800 -0.247 0.000 1.090 401 F CA 1.028 58.861 58.000 -0.280 0.000 1.392 401 F CB -0.211 38.616 39.000 -0.288 0.000 1.053 401 F HN 0.205 nan 8.300 nan 0.000 0.521 402 E N 0.202 120.341 120.200 -0.103 0.000 2.072 402 E HA -0.181 4.170 4.350 0.001 0.000 0.191 402 E C 2.419 178.884 176.600 -0.225 0.000 0.985 402 E CA 0.990 57.310 56.400 -0.134 0.000 0.801 402 E CB -0.277 29.355 29.700 -0.113 0.000 0.750 402 E HN 0.363 nan 8.360 nan 0.000 0.452 403 A N 1.116 123.695 122.820 -0.403 0.000 1.933 403 A HA -0.158 4.163 4.320 0.001 0.000 0.218 403 A C 2.156 179.489 177.584 -0.419 0.000 1.175 403 A CA 0.919 52.638 52.037 -0.531 0.000 0.628 403 A CB -0.485 17.822 19.000 -1.154 0.000 0.814 403 A HN 0.228 nan 8.150 nan 0.000 0.444 404 L N 0.027 121.005 121.223 -0.409 0.000 2.083 404 L HA -0.039 4.302 4.340 0.001 0.000 0.209 404 L C 2.362 179.086 176.870 -0.243 0.000 1.083 404 L CA 2.159 56.790 54.840 -0.349 0.000 0.752 404 L CB -0.760 41.068 42.059 -0.385 0.000 0.899 404 L HN 0.301 nan 8.230 nan 0.000 0.433 405 G N -1.124 107.588 108.800 -0.147 0.000 2.422 405 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 405 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 405 G C 1.745 176.667 174.900 0.037 0.000 1.140 405 G CA 0.531 45.620 45.100 -0.018 0.000 0.775 405 G HN 0.371 nan 8.290 nan 0.000 0.545 406 R N -0.508 119.945 120.500 -0.078 0.000 2.200 406 R HA 0.193 4.533 4.340 0.001 0.000 0.208 406 R C 1.864 178.092 176.300 -0.120 0.000 1.033 406 R CA 0.635 56.701 56.100 -0.057 0.000 1.000 406 R CB 0.131 30.377 30.300 -0.090 0.000 0.906 406 R HN 0.422 nan 8.270 nan 0.000 0.462 407 G N 0.663 109.256 108.800 -0.345 0.000 2.179 407 G HA2 -0.203 3.757 3.960 0.001 0.000 0.220 407 G HA3 -0.203 3.757 3.960 0.001 0.000 0.220 407 G C 0.370 175.049 174.900 -0.369 0.000 0.990 407 G CA 0.263 45.031 45.100 -0.554 0.000 0.646 407 G HN 0.245 nan 8.290 nan 0.000 0.517 408 D N -0.142 120.093 120.400 -0.275 0.000 2.149 408 D HA 0.051 4.692 4.640 0.001 0.000 0.201 408 D C 1.342 177.523 176.300 -0.197 0.000 0.972 408 D CA 1.102 54.984 54.000 -0.197 0.000 0.835 408 D CB 0.231 40.957 40.800 -0.124 0.000 0.966 408 D HN 0.335 nan 8.370 nan 0.000 0.476 409 V N 1.649 121.397 119.914 -0.276 0.000 2.364 409 V HA 0.110 4.231 4.120 0.001 0.000 0.272 409 V C 1.044 176.976 176.094 -0.270 0.000 1.036 409 V CA -0.110 62.052 62.300 -0.230 0.000 0.880 409 V CB 1.791 33.447 31.823 -0.278 0.000 0.991 409 V HN -0.062 nan 8.190 nan 0.000 0.460 410 K N 2.464 122.724 120.400 -0.233 0.000 2.287 410 K HA 0.226 4.546 4.320 0.001 0.000 0.199 410 K C 0.181 176.675 176.600 -0.178 0.000 1.061 410 K CA 0.461 56.606 56.287 -0.238 0.000 0.976 410 K CB 0.514 32.858 32.500 -0.260 0.000 0.898 410 K HN 0.590 nan 8.250 nan 0.000 0.492 411 C N 1.539 120.693 119.300 -0.242 0.000 2.345 411 C HA 0.602 5.063 4.460 0.001 0.000 0.323 411 C C -0.493 174.372 174.990 -0.207 0.000 1.276 411 C CA -0.987 57.809 59.018 -0.369 0.000 1.543 411 C CB 0.456 27.542 27.740 -1.090 0.000 2.211 411 C HN 0.399 nan 8.230 nan 0.000 0.493 412 M N 4.136 123.730 119.600 -0.010 0.000 2.393 412 M HA 0.679 5.160 4.480 0.001 0.000 0.299 412 M C -1.615 174.847 176.300 0.271 0.000 1.103 412 M CA -0.416 54.964 55.300 0.134 0.000 0.910 412 M CB 1.198 33.733 32.600 -0.109 0.000 1.659 412 M HN 0.637 nan 8.290 nan 0.000 0.445 413 I N 5.479 126.230 120.570 0.303 0.000 2.336 413 I HA 0.381 4.552 4.170 0.001 0.000 0.292 413 I C -0.782 175.232 176.117 -0.171 0.000 0.991 413 I CA -0.635 60.717 61.300 0.085 0.000 1.227 413 I CB 1.338 39.439 38.000 0.168 0.000 1.366 413 I HN 0.647 nan 8.210 nan 0.000 0.466 414 I N 6.035 126.523 120.570 -0.135 0.000 2.339 414 I HA 0.307 4.478 4.170 0.001 0.000 0.290 414 I C -0.486 175.491 176.117 -0.233 0.000 0.994 414 I CA -0.366 60.859 61.300 -0.125 0.000 1.191 414 I CB 1.635 39.685 38.000 0.083 0.000 1.343 414 I HN 0.573 nan 8.210 nan 0.000 0.458 415 C N 6.237 125.295 119.300 -0.403 0.000 2.397 415 C HA 0.331 4.792 4.460 0.001 0.000 0.325 415 C C 0.640 175.566 174.990 -0.106 0.000 1.201 415 C CA -0.218 58.649 59.018 -0.251 0.000 1.377 415 C CB 0.080 27.615 27.740 -0.341 0.000 2.038 415 C HN 1.021 nan 8.230 nan 0.000 0.457 416 E N 3.326 123.546 120.200 0.033 0.000 2.440 416 E HA -0.181 4.170 4.350 0.001 0.000 0.246 416 E C -0.130 176.523 176.600 0.089 0.000 1.165 416 E CA 1.223 57.691 56.400 0.114 0.000 0.726 416 E CB -0.835 28.966 29.700 0.169 0.000 1.271 416 E HN 0.947 nan 8.360 nan 0.000 0.397 417 T N -1.218 113.365 114.554 0.049 0.000 2.816 417 T HA 0.455 4.806 4.350 0.001 0.000 0.299 417 T C -0.439 174.328 174.700 0.112 0.000 1.230 417 T CA -0.963 61.170 62.100 0.057 0.000 1.007 417 T CB 1.496 70.344 68.868 -0.033 0.000 1.289 417 T HN 0.042 nan 8.240 nan 0.000 0.508 418 N N 1.737 120.504 118.700 0.113 0.000 2.723 418 N HA 0.320 5.060 4.740 0.001 0.000 0.290 418 N C -2.019 173.562 175.510 0.118 0.000 1.882 418 N CA -2.279 50.848 53.050 0.128 0.000 0.851 418 N CB 0.908 39.462 38.487 0.111 0.000 1.234 418 N HN 0.272 nan 8.380 nan 0.000 0.491 419 P HA -0.028 nan 4.420 nan 0.000 0.226 419 P C 0.829 178.082 177.300 -0.080 0.000 1.153 419 P CA 0.562 63.635 63.100 -0.045 0.000 0.777 419 P CB 0.309 31.879 31.700 -0.217 0.000 0.794 420 A N -1.339 121.514 122.820 0.054 0.000 2.206 420 A HA -0.124 4.197 4.320 0.001 0.000 0.211 420 A C 1.973 179.731 177.584 0.289 0.000 1.158 420 A CA 1.101 53.232 52.037 0.157 0.000 0.761 420 A CB -1.415 17.695 19.000 0.183 0.000 0.801 420 A HN 0.301 nan 8.150 nan 0.000 0.473 421 H N -1.607 117.517 119.070 0.091 0.000 2.594 421 H HA 0.026 4.583 4.556 0.001 0.000 0.274 421 H C 2.013 177.337 175.328 -0.005 0.000 0.982 421 H CA 1.139 57.235 56.048 0.079 0.000 1.228 421 H CB 0.676 30.492 29.762 0.089 0.000 1.447 421 H HN 0.477 nan 8.280 nan 0.000 0.485 422 T N -1.103 113.524 114.554 0.122 0.000 3.023 422 T HA 0.269 4.620 4.350 0.001 0.000 0.253 422 T C 0.554 175.191 174.700 -0.105 0.000 1.038 422 T CA -0.364 61.691 62.100 -0.073 0.000 0.962 422 T CB 0.006 68.772 68.868 -0.170 0.000 1.018 422 T HN 0.031 nan 8.240 nan 0.000 0.521 423 L N 2.848 124.007 121.223 -0.106 0.000 2.436 423 L HA 0.417 4.758 4.340 0.001 0.000 0.265 423 L C -2.047 174.793 176.870 -0.049 0.000 1.168 423 L CA -2.419 52.341 54.840 -0.134 0.000 0.815 423 L CB 0.696 42.521 42.059 -0.391 0.000 1.109 423 L HN 0.068 nan 8.230 nan 0.000 0.462 424 P HA 0.059 nan 4.420 nan 0.000 0.279 424 P C -0.659 176.561 177.300 -0.134 0.000 1.252 424 P CA -0.328 62.706 63.100 -0.109 0.000 0.811 424 P CB 0.616 32.056 31.700 -0.433 0.000 1.035 425 N N 0.397 119.051 118.700 -0.077 0.000 2.681 425 N HA -0.143 4.598 4.740 0.001 0.000 0.259 425 N C 0.595 176.000 175.510 -0.175 0.000 1.066 425 N CA 0.215 53.200 53.050 -0.108 0.000 0.717 425 N CB -1.207 37.212 38.487 -0.113 0.000 0.885 425 N HN 0.405 nan 8.380 nan 0.000 0.547 426 L N 0.250 121.342 121.223 -0.219 0.000 2.083 426 L HA -0.160 4.181 4.340 0.001 0.000 0.209 426 L C 1.945 178.503 176.870 -0.519 0.000 1.083 426 L CA 1.065 55.639 54.840 -0.444 0.000 0.752 426 L CB -0.296 41.460 42.059 -0.505 0.000 0.899 426 L HN 0.360 nan 8.230 nan 0.000 0.433 427 N N 0.274 118.810 118.700 -0.273 0.000 2.104 427 N HA -0.241 4.500 4.740 0.001 0.000 0.190 427 N C 1.752 177.202 175.510 -0.100 0.000 1.024 427 N CA 1.284 54.250 53.050 -0.140 0.000 0.853 427 N CB -0.192 38.250 38.487 -0.075 0.000 1.008 427 N HN 0.353 nan 8.380 nan 0.000 0.424 428 K N 0.997 121.327 120.400 -0.117 0.000 2.057 428 K HA -0.031 4.290 4.320 0.001 0.000 0.206 428 K C 1.819 178.364 176.600 -0.093 0.000 1.050 428 K CA 0.795 57.029 56.287 -0.087 0.000 0.935 428 K CB 0.131 32.578 32.500 -0.090 0.000 0.715 428 K HN -0.090 nan 8.250 nan 0.000 0.439 429 V N 0.870 120.688 119.914 -0.159 0.000 2.323 429 V HA -0.209 3.912 4.120 0.001 0.000 0.244 429 V C 1.928 177.962 176.094 -0.100 0.000 1.041 429 V CA 1.856 64.063 62.300 -0.155 0.000 1.025 429 V CB -0.728 30.934 31.823 -0.268 0.000 0.656 429 V HN 0.432 nan 8.190 nan 0.000 0.451 430 H N 0.032 118.998 119.070 -0.174 0.000 2.390 430 H HA -0.209 4.348 4.556 0.001 0.000 0.298 430 H C 2.444 177.718 175.328 -0.089 0.000 1.106 430 H CA 1.631 57.553 56.048 -0.210 0.000 1.297 430 H CB 0.057 29.800 29.762 -0.032 0.000 1.375 430 H HN 0.368 nan 8.280 nan 0.000 0.509 431 K N 0.553 121.001 120.400 0.080 0.000 2.002 431 K HA -0.108 4.213 4.320 0.001 0.000 0.209 431 K C 2.556 179.181 176.600 0.042 0.000 1.048 431 K CA 0.969 57.290 56.287 0.056 0.000 0.930 431 K CB -0.117 32.398 32.500 0.025 0.000 0.714 431 K HN 0.207 nan 8.250 nan 0.000 0.438 432 A N 1.085 123.916 122.820 0.019 0.000 1.917 432 A HA -0.214 4.106 4.320 0.001 0.000 0.219 432 A C 2.073 179.677 177.584 0.032 0.000 1.182 432 A CA 1.817 53.869 52.037 0.025 0.000 0.633 432 A CB -0.544 18.462 19.000 0.009 0.000 0.819 432 A HN 0.253 nan 8.150 nan 0.000 0.448 433 M N -0.380 119.213 119.600 -0.013 0.000 2.557 433 M HA -0.019 4.462 4.480 0.001 0.000 0.259 433 M C 1.193 177.540 176.300 0.077 0.000 1.086 433 M CA 0.802 56.068 55.300 -0.056 0.000 1.096 433 M CB -0.006 32.393 32.600 -0.335 0.000 1.424 433 M HN 0.307 nan 8.290 nan 0.000 0.488 434 S N -1.328 114.448 115.700 0.127 0.000 2.597 434 S HA 0.057 4.528 4.470 0.001 0.000 0.224 434 S C 0.334 175.005 174.600 0.119 0.000 0.955 434 S CA -0.320 57.992 58.200 0.185 0.000 0.933 434 S CB -0.396 62.916 63.200 0.186 0.000 0.788 434 S HN 0.385 nan 8.310 nan 0.000 0.488 435 H N 4.121 123.208 119.070 0.027 0.000 3.157 435 H HA 0.015 4.571 4.556 0.001 0.000 0.299 435 H C -1.789 173.549 175.328 0.018 0.000 0.961 435 H CA -0.769 55.281 56.048 0.003 0.000 1.428 435 H CB 1.116 30.858 29.762 -0.033 0.000 1.459 435 H HN 0.109 nan 8.280 nan 0.000 0.566 436 P HA -0.078 nan 4.420 nan 0.000 0.226 436 P C 0.410 177.787 177.300 0.129 0.000 1.153 436 P CA 0.934 64.049 63.100 0.024 0.000 0.777 436 P CB 0.546 32.211 31.700 -0.058 0.000 0.794 437 E N -0.199 120.174 120.200 0.288 0.000 2.501 437 E HA 0.079 4.430 4.350 0.001 0.000 0.201 437 E C 0.658 177.346 176.600 0.147 0.000 1.016 437 E CA 0.075 56.602 56.400 0.211 0.000 0.920 437 E CB 0.231 30.043 29.700 0.187 0.000 1.023 437 E HN 0.271 nan 8.360 nan 0.000 0.474 438 S N 0.548 116.349 115.700 0.168 0.000 2.580 438 S HA 0.343 4.814 4.470 0.001 0.000 0.274 438 S C -0.249 174.443 174.600 0.152 0.000 1.329 438 S CA -0.637 57.599 58.200 0.061 0.000 1.036 438 S CB 0.721 63.940 63.200 0.032 0.000 0.919 438 S HN 0.128 nan 8.310 nan 0.000 0.515 439 F N 2.816 122.730 119.950 -0.060 0.000 2.434 439 F HA 0.603 5.130 4.527 0.002 0.000 0.355 439 F C -1.042 174.760 175.800 0.002 0.000 1.115 439 F CA -1.414 56.573 58.000 -0.022 0.000 1.010 439 F CB 0.581 39.556 39.000 -0.041 0.000 1.234 439 F HN 0.559 nan 8.300 nan 0.000 0.439 440 I N 7.117 127.445 120.570 -0.404 0.000 2.362 440 I HA 0.396 4.567 4.170 0.001 0.000 0.289 440 I C -0.945 174.912 176.117 -0.433 0.000 0.994 440 I CA -1.051 60.072 61.300 -0.296 0.000 1.158 440 I CB 1.660 39.603 38.000 -0.096 0.000 1.315 440 I HN 0.196 nan 8.210 nan 0.000 0.451 441 V N 5.612 125.346 119.914 -0.300 0.000 2.417 441 V HA 0.328 4.449 4.120 0.001 0.000 0.291 441 V C -0.322 175.711 176.094 -0.101 0.000 1.024 441 V CA -0.492 61.672 62.300 -0.228 0.000 0.861 441 V CB 1.620 33.361 31.823 -0.138 0.000 0.985 441 V HN 0.789 nan 8.190 nan 0.000 0.436 442 C N 6.270 125.522 119.300 -0.080 0.000 2.298 442 C HA 0.588 5.048 4.460 0.001 0.000 0.323 442 C C 0.239 175.217 174.990 -0.020 0.000 1.284 442 C CA -0.714 58.283 59.018 -0.034 0.000 1.577 442 C CB 0.266 28.004 27.740 -0.004 0.000 2.249 442 C HN 0.736 nan 8.230 nan 0.000 0.497 443 I N 3.852 124.421 120.570 -0.001 0.000 2.297 443 I HA 0.416 4.587 4.170 0.001 0.000 0.291 443 I C -0.094 176.059 176.117 0.060 0.000 1.033 443 I CA 0.451 61.779 61.300 0.046 0.000 1.253 443 I CB 0.543 38.603 38.000 0.100 0.000 1.396 443 I HN 0.611 nan 8.210 nan 0.000 0.476 444 E N 5.204 125.436 120.200 0.055 0.000 2.321 444 E HA 0.600 4.951 4.350 0.001 0.000 0.278 444 E C -0.536 176.073 176.600 0.015 0.000 0.902 444 E CA -0.539 55.901 56.400 0.067 0.000 0.758 444 E CB 1.980 31.722 29.700 0.069 0.000 1.213 444 E HN 0.513 nan 8.360 nan 0.000 0.426 445 A N 3.708 126.516 122.820 -0.018 0.000 2.095 445 A HA 0.321 4.642 4.320 0.001 0.000 0.212 445 A C -0.091 177.116 177.584 -0.630 0.000 1.162 445 A CA 0.346 52.194 52.037 -0.315 0.000 0.753 445 A CB 0.010 18.768 19.000 -0.402 0.000 0.840 445 A HN 0.396 nan 8.150 nan 0.000 0.468 446 F N -0.617 119.329 119.950 -0.006 0.000 2.518 446 F HA 0.404 4.932 4.527 0.002 0.000 0.323 446 F C -1.738 174.065 175.800 0.006 0.000 1.129 446 F CA -2.081 55.907 58.000 -0.020 0.000 0.920 446 F CB 2.175 41.157 39.000 -0.031 0.000 1.160 446 F HN -0.079 nan 8.300 nan 0.000 0.440 447 P HA -0.104 nan 4.420 nan 0.000 0.233 447 P C 0.519 177.875 177.300 0.093 0.000 1.167 447 P CA 1.076 64.227 63.100 0.086 0.000 0.770 447 P CB 0.128 31.860 31.700 0.052 0.000 0.837 448 D N -0.498 119.978 120.400 0.126 0.000 2.340 448 D HA 0.063 4.704 4.640 0.001 0.000 0.220 448 D C 0.527 176.895 176.300 0.114 0.000 1.039 448 D CA -0.243 53.816 54.000 0.099 0.000 0.866 448 D CB -0.400 40.452 40.800 0.086 0.000 0.913 448 D HN -0.014 nan 8.370 nan 0.000 0.523 449 A N 1.064 123.968 122.820 0.139 0.000 2.522 449 A HA 0.143 4.464 4.320 0.001 0.000 0.256 449 A C 1.392 179.057 177.584 0.135 0.000 1.086 449 A CA -0.346 51.782 52.037 0.152 0.000 0.763 449 A CB 0.876 19.973 19.000 0.163 0.000 1.024 449 A HN 0.092 nan 8.150 nan 0.000 0.502 450 V N 3.359 123.372 119.914 0.165 0.000 2.594 450 V HA -0.165 3.956 4.120 0.001 0.000 0.253 450 V C 2.352 178.545 176.094 0.165 0.000 1.069 450 V CA 2.876 65.255 62.300 0.132 0.000 1.082 450 V CB -0.735 31.169 31.823 0.135 0.000 0.680 450 V HN 1.012 nan 8.190 nan 0.000 0.469 451 T N 0.650 115.334 114.554 0.217 0.000 2.849 451 T HA -0.135 4.216 4.350 0.001 0.000 0.270 451 T C 1.728 176.558 174.700 0.218 0.000 1.066 451 T CA 1.545 63.810 62.100 0.275 0.000 1.130 451 T CB -0.263 68.725 68.868 0.200 0.000 0.864 451 T HN 0.430 nan 8.240 nan 0.000 0.481 452 L N 0.662 121.954 121.223 0.114 0.000 2.265 452 L HA -0.061 4.280 4.340 0.001 0.000 0.215 452 L C 2.411 179.266 176.870 -0.025 0.000 1.117 452 L CA 1.183 56.050 54.840 0.046 0.000 0.782 452 L CB -0.600 41.478 42.059 0.032 0.000 0.914 452 L HN 0.361 nan 8.230 nan 0.000 0.441 453 E N -0.750 119.390 120.200 -0.100 0.000 2.401 453 E HA -0.190 4.161 4.350 0.001 0.000 0.199 453 E C 1.249 177.554 176.600 -0.493 0.000 1.023 453 E CA 1.014 57.227 56.400 -0.311 0.000 0.859 453 E CB 0.085 29.519 29.700 -0.444 0.000 0.780 453 E HN 0.568 nan 8.360 nan 0.000 0.523 454 Y N -0.625 119.658 120.300 -0.029 0.000 2.442 454 Y HA 0.319 4.869 4.550 0.001 0.000 0.250 454 Y C 0.855 176.740 175.900 -0.025 0.000 1.113 454 Y CA -0.394 57.695 58.100 -0.020 0.000 1.273 454 Y CB 0.527 38.986 38.460 -0.002 0.000 1.138 454 Y HN -0.110 nan 8.280 nan 0.000 0.522 455 A N 0.697 123.558 122.820 0.069 0.000 2.425 455 A HA 0.111 4.432 4.320 0.001 0.000 0.249 455 A C 0.631 178.194 177.584 -0.037 0.000 1.084 455 A CA -0.018 52.018 52.037 -0.002 0.000 0.781 455 A CB 0.213 19.202 19.000 -0.019 0.000 1.019 455 A HN 0.381 nan 8.150 nan 0.000 0.490 456 D N 0.098 120.439 120.400 -0.097 0.000 2.355 456 D HA 0.155 4.795 4.640 0.001 0.000 0.206 456 D C -0.372 175.895 176.300 -0.055 0.000 1.010 456 D CA 0.706 54.674 54.000 -0.054 0.000 0.875 456 D CB 0.457 41.253 40.800 -0.007 0.000 0.966 456 D HN 0.327 nan 8.370 nan 0.000 0.512 457 L N 0.873 122.006 121.223 -0.149 0.000 2.493 457 L HA 0.322 4.663 4.340 0.001 0.000 0.265 457 L C -1.671 175.132 176.870 -0.112 0.000 0.954 457 L CA -0.683 54.100 54.840 -0.095 0.000 0.844 457 L CB 2.485 44.518 42.059 -0.043 0.000 1.302 457 L HN -0.352 nan 8.230 nan 0.000 0.405 458 V N 5.622 125.471 119.914 -0.108 0.000 2.487 458 V HA 0.521 4.642 4.120 0.001 0.000 0.298 458 V C -0.395 175.592 176.094 -0.178 0.000 1.028 458 V CA -0.560 61.674 62.300 -0.110 0.000 0.860 458 V CB 1.656 33.430 31.823 -0.081 0.000 0.991 458 V HN 0.584 nan 8.190 nan 0.000 0.427 459 L N 6.921 128.050 121.223 -0.155 0.000 2.287 459 L HA 0.503 4.844 4.340 0.001 0.000 0.287 459 L C -2.384 174.440 176.870 -0.076 0.000 1.022 459 L CA -1.772 52.921 54.840 -0.246 0.000 0.814 459 L CB 2.403 44.402 42.059 -0.102 0.000 1.217 459 L HN 0.401 nan 8.230 nan 0.000 0.420 460 P HA 0.226 nan 4.420 nan 0.000 0.280 460 P C -2.700 174.747 177.300 0.245 0.000 1.300 460 P CA -1.457 61.691 63.100 0.082 0.000 0.785 460 P CB 0.623 32.362 31.700 0.065 0.000 0.874 461 P HA 0.276 nan 4.420 nan 0.000 0.290 461 P C -0.489 176.898 177.300 0.145 0.000 1.283 461 P CA -0.887 62.322 63.100 0.182 0.000 0.869 461 P CB 1.081 32.881 31.700 0.166 0.000 1.100 462 A N 2.713 125.612 122.820 0.131 0.000 2.540 462 A HA 0.271 4.592 4.320 0.001 0.000 0.239 462 A C -0.445 177.244 177.584 0.175 0.000 1.061 462 A CA 0.187 52.293 52.037 0.114 0.000 0.758 462 A CB -0.880 18.152 19.000 0.055 0.000 0.991 462 A HN 0.561 nan 8.150 nan 0.000 0.502 463 F N 4.138 124.111 119.950 0.038 0.000 2.436 463 F HA 0.536 5.064 4.527 0.001 0.000 0.340 463 F C 0.393 176.303 175.800 0.184 0.000 1.113 463 F CA -0.574 57.484 58.000 0.097 0.000 1.022 463 F CB 0.536 39.574 39.000 0.062 0.000 1.128 463 F HN 0.945 nan 8.300 nan 0.000 0.466 464 W N 4.092 124.924 121.300 -0.779 0.000 2.480 464 W HA -0.459 4.202 4.660 0.001 0.000 0.305 464 W C 1.449 177.697 176.519 -0.453 0.000 1.682 464 W CA 2.904 59.748 57.345 -0.833 0.000 1.714 464 W CB -1.601 27.014 29.460 -1.408 0.000 0.914 464 W HN 0.894 nan 8.180 nan 0.000 0.475 465 C N 0.425 119.253 119.300 -0.786 0.000 2.614 465 C HA 0.462 4.923 4.460 0.001 0.000 0.299 465 C C 1.603 176.358 174.990 -0.391 0.000 1.293 465 C CA 0.446 59.013 59.018 -0.752 0.000 1.713 465 C CB -1.391 25.655 27.740 -1.156 0.000 1.890 465 C HN 0.474 nan 8.230 nan 0.000 0.602 466 E N 1.651 121.719 120.200 -0.219 0.000 2.478 466 E HA -0.031 4.320 4.350 0.001 0.000 0.198 466 E C 1.067 177.602 176.600 -0.109 0.000 1.046 466 E CA 0.513 56.851 56.400 -0.103 0.000 0.870 466 E CB 0.164 29.871 29.700 0.012 0.000 0.818 466 E HN 0.793 nan 8.360 nan 0.000 0.527 467 R N 0.990 121.397 120.500 -0.155 0.000 2.733 467 R HA 0.144 4.485 4.340 0.001 0.000 0.272 467 R C -1.832 174.355 176.300 -0.188 0.000 1.029 467 R CA -0.795 55.224 56.100 -0.135 0.000 0.888 467 R CB 0.446 30.696 30.300 -0.084 0.000 1.251 467 R HN -0.141 nan 8.270 nan 0.000 0.464 468 D N 0.014 120.313 120.400 -0.167 0.000 2.181 468 D HA 0.720 5.361 4.640 0.001 0.000 0.248 468 D C 0.026 176.206 176.300 -0.200 0.000 1.020 468 D CA -0.380 53.501 54.000 -0.199 0.000 0.891 468 D CB 1.963 42.660 40.800 -0.172 0.000 1.187 468 D HN 0.804 nan 8.370 nan 0.000 0.443 469 G N -0.519 108.128 108.800 -0.255 0.000 2.316 469 G HA2 0.373 4.334 3.960 0.001 0.000 0.296 469 G HA3 0.373 4.334 3.960 0.001 0.000 0.296 469 G C -1.707 172.999 174.900 -0.322 0.000 1.399 469 G CA -0.769 44.175 45.100 -0.259 0.000 0.833 469 G HN 0.449 nan 8.290 nan 0.000 0.565 470 V N 0.684 120.417 119.914 -0.302 0.000 2.539 470 V HA 0.611 4.732 4.120 0.001 0.000 0.292 470 V C -0.907 175.188 176.094 0.001 0.000 1.045 470 V CA -0.698 61.430 62.300 -0.286 0.000 0.945 470 V CB 1.409 32.870 31.823 -0.605 0.000 0.993 470 V HN 0.575 nan 8.190 nan 0.000 0.464 471 Y N 1.819 122.083 120.300 -0.059 0.000 2.376 471 Y HA 0.688 5.239 4.550 0.001 0.000 0.340 471 Y C 0.573 176.527 175.900 0.089 0.000 0.965 471 Y CA -1.525 56.593 58.100 0.030 0.000 1.078 471 Y CB 2.148 40.646 38.460 0.063 0.000 1.193 471 Y HN 0.674 nan 8.280 nan 0.000 0.452 472 G N 2.982 111.934 108.800 0.254 0.000 2.522 472 G HA2 0.479 4.440 3.960 0.001 0.000 0.318 472 G HA3 0.479 4.440 3.960 0.001 0.000 0.318 472 G C 0.079 175.159 174.900 0.300 0.000 1.192 472 G CA -0.535 44.788 45.100 0.372 0.000 0.988 472 G HN 0.888 nan 8.290 nan 0.000 0.480 473 C N 1.341 120.808 119.300 0.277 0.000 2.641 473 C HA 0.720 5.181 4.460 0.001 0.000 0.318 473 C C 2.140 177.240 174.990 0.184 0.000 1.490 473 C CA 0.107 59.263 59.018 0.231 0.000 2.260 473 C CB 0.715 28.626 27.740 0.284 0.000 2.103 473 C HN 0.716 nan 8.230 nan 0.000 0.641 474 G N -0.137 108.790 108.800 0.212 0.000 2.708 474 G HA2 -0.001 3.960 3.960 0.001 0.000 0.210 474 G HA3 -0.001 3.960 3.960 0.001 0.000 0.210 474 G C 1.037 175.888 174.900 -0.081 0.000 1.141 474 G CA 0.943 46.121 45.100 0.130 0.000 0.788 474 G HN 1.012 nan 8.290 nan 0.000 0.531 475 E N -0.946 119.104 120.200 -0.250 0.000 2.624 475 E HA 0.310 4.661 4.350 0.001 0.000 0.210 475 E C 0.914 177.266 176.600 -0.414 0.000 0.997 475 E CA -0.773 55.371 56.400 -0.428 0.000 0.999 475 E CB 0.034 29.081 29.700 -1.090 0.000 1.040 475 E HN 0.225 nan 8.360 nan 0.000 0.469 476 R N 0.010 120.313 120.500 -0.329 0.000 3.908 476 R HA -0.168 4.173 4.340 0.001 0.000 0.381 476 R C -0.111 175.959 176.300 -0.384 0.000 1.135 476 R CA 0.777 56.559 56.100 -0.531 0.000 0.990 476 R CB -2.087 27.429 30.300 -1.306 0.000 1.557 476 R HN 0.250 nan 8.270 nan 0.000 0.535 477 R N 1.524 121.962 120.500 -0.102 0.000 2.216 477 R HA 0.178 4.519 4.340 0.001 0.000 0.332 477 R C -0.813 175.679 176.300 0.320 0.000 1.056 477 R CA -0.296 55.824 56.100 0.034 0.000 0.901 477 R CB 0.447 30.775 30.300 0.048 0.000 1.039 477 R HN -0.058 nan 8.270 nan 0.000 0.456 478 Y N 2.056 122.450 120.300 0.157 0.000 2.367 478 Y HA 0.306 4.857 4.550 0.001 0.000 0.342 478 Y C -0.026 175.924 175.900 0.083 0.000 0.979 478 Y CA -0.987 57.205 58.100 0.153 0.000 1.161 478 Y CB 1.753 40.330 38.460 0.196 0.000 1.155 478 Y HN 0.473 nan 8.280 nan 0.000 0.503 479 S N 3.810 119.635 115.700 0.208 0.000 2.513 479 S HA 0.519 4.989 4.470 0.001 0.000 0.299 479 S C -0.881 173.700 174.600 -0.030 0.000 1.087 479 S CA -0.718 57.539 58.200 0.094 0.000 1.012 479 S CB 2.008 65.290 63.200 0.136 0.000 1.044 479 S HN 0.513 nan 8.310 nan 0.000 0.485 480 L N 2.824 123.984 121.223 -0.104 0.000 2.326 480 L HA 0.484 4.824 4.340 0.001 0.000 0.278 480 L C -0.140 176.631 176.870 -0.165 0.000 1.092 480 L CA 0.409 55.130 54.840 -0.198 0.000 0.810 480 L CB 1.051 42.975 42.059 -0.226 0.000 1.153 480 L HN 0.603 nan 8.230 nan 0.000 0.439 481 T N 4.225 118.640 114.554 -0.231 0.000 2.749 481 T HA 0.342 4.693 4.350 0.001 0.000 0.287 481 T C -0.252 174.292 174.700 -0.260 0.000 0.970 481 T CA -0.483 61.465 62.100 -0.255 0.000 0.980 481 T CB 0.559 69.222 68.868 -0.342 0.000 0.924 481 T HN 0.591 nan 8.240 nan 0.000 0.456 482 E N 1.916 121.982 120.200 -0.224 0.000 2.349 482 E HA 0.196 4.547 4.350 0.001 0.000 0.262 482 E C 0.215 176.672 176.600 -0.238 0.000 1.088 482 E CA -0.711 55.568 56.400 -0.201 0.000 0.899 482 E CB 0.990 30.599 29.700 -0.151 0.000 1.044 482 E HN 0.396 nan 8.360 nan 0.000 0.420 483 K N 1.035 121.314 120.400 -0.201 0.000 2.339 483 K HA 0.170 4.491 4.320 0.001 0.000 0.286 483 K C -0.167 176.317 176.600 -0.194 0.000 1.050 483 K CA 0.111 56.276 56.287 -0.205 0.000 0.956 483 K CB 0.816 33.225 32.500 -0.152 0.000 0.990 483 K HN 0.577 nan 8.250 nan 0.000 0.475 484 A N 4.400 127.080 122.820 -0.233 0.000 2.055 484 A HA 0.160 4.481 4.320 0.001 0.000 0.205 484 A C 0.218 177.704 177.584 -0.163 0.000 1.235 484 A CA 0.694 52.604 52.037 -0.211 0.000 0.822 484 A CB 0.293 19.125 19.000 -0.281 0.000 0.903 484 A HN 0.552 nan 8.150 nan 0.000 0.473 485 V N -3.061 116.763 119.914 -0.150 0.000 3.159 485 V HA 0.564 4.685 4.120 0.001 0.000 0.308 485 V C -1.757 174.293 176.094 -0.074 0.000 1.190 485 V CA -1.314 60.928 62.300 -0.097 0.000 1.037 485 V CB 1.393 33.173 31.823 -0.070 0.000 1.060 485 V HN 0.047 nan 8.190 nan 0.000 0.437 486 D N 2.277 122.648 120.400 -0.048 0.000 2.372 486 D HA 0.465 5.106 4.640 0.001 0.000 0.243 486 D C -2.506 173.789 176.300 -0.009 0.000 1.121 486 D CA -0.965 53.016 54.000 -0.032 0.000 0.898 486 D CB 1.047 41.832 40.800 -0.024 0.000 1.202 486 D HN 0.544 nan 8.370 nan 0.000 0.428 487 P HA 0.187 nan 4.420 nan 0.000 0.272 487 P C -2.399 174.920 177.300 0.031 0.000 1.223 487 P CA -0.956 62.163 63.100 0.031 0.000 0.784 487 P CB -0.061 31.660 31.700 0.035 0.000 0.923 488 P HA 0.184 nan 4.420 nan 0.000 0.278 488 P C 0.706 178.032 177.300 0.043 0.000 1.266 488 P CA 0.102 63.221 63.100 0.033 0.000 0.807 488 P CB 0.409 32.125 31.700 0.026 0.000 1.094 489 G N 1.512 110.337 108.800 0.042 0.000 2.672 489 G HA2 -0.319 3.642 3.960 0.001 0.000 0.324 489 G HA3 -0.319 3.642 3.960 0.001 0.000 0.324 489 G C 0.274 175.229 174.900 0.091 0.000 1.286 489 G CA 0.322 45.456 45.100 0.058 0.000 1.004 489 G HN 0.647 nan 8.290 nan 0.000 0.548 490 Q N -0.086 119.801 119.800 0.146 0.000 2.237 490 Q HA 0.321 4.662 4.340 0.001 0.000 0.252 490 Q C -0.016 176.202 176.000 0.363 0.000 0.877 490 Q CA -0.415 55.546 55.803 0.264 0.000 1.011 490 Q CB 0.350 29.319 28.738 0.385 0.000 1.118 490 Q HN 0.466 nan 8.270 nan 0.000 0.458 491 C N 1.435 120.858 119.300 0.205 0.000 2.593 491 C HA 0.383 4.844 4.460 0.001 0.000 0.409 491 C C 0.653 175.715 174.990 0.121 0.000 1.304 491 C CA -0.268 58.871 59.018 0.201 0.000 2.007 491 C CB -0.166 27.645 27.740 0.118 0.000 2.614 491 C HN 0.459 nan 8.230 nan 0.000 0.585 492 R N 2.661 123.239 120.500 0.130 0.000 2.744 492 R HA 0.439 4.780 4.340 0.001 0.000 0.279 492 R C -2.934 173.379 176.300 0.021 0.000 0.977 492 R CA -1.611 54.466 56.100 -0.038 0.000 0.906 492 R CB 1.400 31.497 30.300 -0.339 0.000 1.197 492 R HN 0.376 nan 8.270 nan 0.000 0.463 493 P HA 0.019 nan 4.420 nan 0.000 0.268 493 P C 0.201 177.526 177.300 0.042 0.000 1.204 493 P CA 0.158 63.266 63.100 0.014 0.000 0.768 493 P CB 0.709 32.399 31.700 -0.018 0.000 0.842 494 T N 1.471 116.079 114.554 0.089 0.000 2.915 494 T HA -0.086 4.265 4.350 0.001 0.000 0.269 494 T C 1.758 176.518 174.700 0.101 0.000 1.071 494 T CA 0.892 63.073 62.100 0.134 0.000 1.132 494 T CB -0.354 68.626 68.868 0.186 0.000 0.878 494 T HN 0.096 nan 8.240 nan 0.000 0.479 495 V N 2.508 122.457 119.914 0.058 0.000 2.392 495 V HA -0.205 3.916 4.120 0.001 0.000 0.249 495 V C 2.360 178.484 176.094 0.050 0.000 1.059 495 V CA 1.539 63.860 62.300 0.036 0.000 1.051 495 V CB -0.421 31.401 31.823 -0.002 0.000 0.658 495 V HN 0.535 nan 8.190 nan 0.000 0.455 496 N N -0.419 118.298 118.700 0.028 0.000 2.173 496 N HA -0.106 4.635 4.740 0.001 0.000 0.184 496 N C 1.895 177.413 175.510 0.015 0.000 1.025 496 N CA 1.788 54.842 53.050 0.007 0.000 0.852 496 N CB -0.536 37.920 38.487 -0.051 0.000 0.998 496 N HN 0.414 nan 8.380 nan 0.000 0.427 497 T N 2.280 116.846 114.554 0.020 0.000 2.685 497 T HA -0.116 4.235 4.350 0.001 0.000 0.268 497 T C 1.897 176.710 174.700 0.188 0.000 1.034 497 T CA 0.830 62.991 62.100 0.101 0.000 1.149 497 T CB -0.147 68.843 68.868 0.204 0.000 0.860 497 T HN 0.017 nan 8.240 nan 0.000 0.449 498 L N 0.600 121.925 121.223 0.169 0.000 2.072 498 L HA 0.026 4.367 4.340 0.001 0.000 0.205 498 L C 2.628 179.603 176.870 0.175 0.000 1.079 498 L CA 1.089 56.052 54.840 0.205 0.000 0.752 498 L CB -1.210 40.912 42.059 0.105 0.000 0.906 498 L HN 0.146 nan 8.230 nan 0.000 0.436 499 V N -0.545 119.437 119.914 0.113 0.000 2.261 499 V HA -0.279 3.841 4.120 0.001 0.000 0.246 499 V C 2.610 178.729 176.094 0.043 0.000 1.047 499 V CA 1.783 64.124 62.300 0.068 0.000 1.015 499 V CB -0.414 31.458 31.823 0.083 0.000 0.642 499 V HN 0.377 nan 8.190 nan 0.000 0.446 500 E N -0.058 120.187 120.200 0.074 0.000 2.051 500 E HA -0.225 4.126 4.350 0.001 0.000 0.192 500 E C 1.885 178.564 176.600 0.133 0.000 0.991 500 E CA 1.474 57.921 56.400 0.077 0.000 0.799 500 E CB -0.500 29.244 29.700 0.072 0.000 0.748 500 E HN 0.491 nan 8.360 nan 0.000 0.449 501 F N 1.022 121.006 119.950 0.056 0.000 2.043 501 F HA -0.272 4.256 4.527 0.001 0.000 0.297 501 F C 2.051 177.868 175.800 0.028 0.000 1.118 501 F CA 2.219 60.256 58.000 0.061 0.000 1.202 501 F CB -1.177 37.860 39.000 0.061 0.000 0.965 501 F HN 0.080 nan 8.300 nan 0.000 0.482 502 A N 0.982 123.609 122.820 -0.322 0.000 1.859 502 A HA -0.266 4.055 4.320 0.001 0.000 0.217 502 A C 2.412 179.819 177.584 -0.295 0.000 1.198 502 A CA 2.297 54.052 52.037 -0.469 0.000 0.629 502 A CB -1.078 17.731 19.000 -0.319 0.000 0.830 502 A HN 0.523 nan 8.150 nan 0.000 0.446 503 R N -0.985 119.417 120.500 -0.163 0.000 2.112 503 R HA -0.195 4.146 4.340 0.001 0.000 0.242 503 R C 2.453 178.701 176.300 -0.085 0.000 1.137 503 R CA 2.082 58.117 56.100 -0.107 0.000 0.944 503 R CB -0.374 29.889 30.300 -0.062 0.000 0.857 503 R HN 0.514 nan 8.270 nan 0.000 0.435 504 R N -0.179 120.285 120.500 -0.059 0.000 2.189 504 R HA -0.033 4.307 4.340 0.001 0.000 0.223 504 R C 1.716 177.993 176.300 -0.039 0.000 1.092 504 R CA 1.123 57.214 56.100 -0.016 0.000 0.989 504 R CB -0.008 30.325 30.300 0.055 0.000 0.876 504 R HN 0.197 nan 8.270 nan 0.000 0.457 505 A N -0.141 122.602 122.820 -0.129 0.000 2.337 505 A HA 0.315 4.635 4.320 0.001 0.000 0.227 505 A C 1.179 178.733 177.584 -0.050 0.000 1.259 505 A CA 0.478 52.447 52.037 -0.114 0.000 0.870 505 A CB -0.089 18.733 19.000 -0.296 0.000 0.927 505 A HN 0.387 nan 8.150 nan 0.000 0.497 506 G N -1.240 107.526 108.800 -0.057 0.000 2.143 506 G HA2 -0.208 3.753 3.960 0.001 0.000 0.249 506 G HA3 -0.208 3.753 3.960 0.001 0.000 0.249 506 G C 0.209 175.081 174.900 -0.046 0.000 0.981 506 G CA 0.130 45.208 45.100 -0.037 0.000 0.665 506 G HN 0.762 nan 8.290 nan 0.000 0.528 507 V N 0.920 120.776 119.914 -0.096 0.000 2.715 507 V HA 0.318 4.439 4.120 0.001 0.000 0.299 507 V C 0.921 176.934 176.094 -0.134 0.000 1.054 507 V CA -0.243 61.967 62.300 -0.150 0.000 1.077 507 V CB 1.435 33.079 31.823 -0.299 0.000 0.972 507 V HN 0.373 nan 8.190 nan 0.000 0.484 508 D N 5.864 126.191 120.400 -0.123 0.000 2.434 508 D HA 0.096 4.737 4.640 0.001 0.000 0.252 508 D C -1.497 174.722 176.300 -0.136 0.000 1.185 508 D CA -1.460 52.476 54.000 -0.107 0.000 0.886 508 D CB 1.510 42.257 40.800 -0.088 0.000 1.148 508 D HN 0.264 nan 8.370 nan 0.000 0.483 509 P HA -0.142 nan 4.420 nan 0.000 0.221 509 P C 1.087 178.282 177.300 -0.174 0.000 1.145 509 P CA 0.840 63.857 63.100 -0.139 0.000 0.795 509 P CB 0.183 31.821 31.700 -0.104 0.000 0.775 510 Q N -0.725 118.986 119.800 -0.149 0.000 2.224 510 Q HA -0.127 4.214 4.340 0.001 0.000 0.203 510 Q C 1.637 177.511 176.000 -0.210 0.000 0.970 510 Q CA 0.926 56.636 55.803 -0.155 0.000 0.865 510 Q CB -0.455 28.226 28.738 -0.095 0.000 0.922 510 Q HN 0.145 nan 8.270 nan 0.000 0.445 511 L N -0.390 120.704 121.223 -0.215 0.000 2.217 511 L HA -0.079 4.262 4.340 0.001 0.000 0.211 511 L C 1.207 177.867 176.870 -0.349 0.000 1.107 511 L CA 0.922 55.603 54.840 -0.266 0.000 0.783 511 L CB 0.354 42.255 42.059 -0.262 0.000 0.919 511 L HN 0.208 nan 8.230 nan 0.000 0.442 512 V N -3.724 115.966 119.914 -0.374 0.000 2.699 512 V HA 0.385 4.506 4.120 0.001 0.000 0.311 512 V C 0.290 175.992 176.094 -0.653 0.000 1.160 512 V CA -0.665 61.383 62.300 -0.420 0.000 1.313 512 V CB -0.153 31.588 31.823 -0.135 0.000 1.553 512 V HN 0.187 nan 8.190 nan 0.000 0.630 513 N N 2.401 120.481 118.700 -1.033 0.000 3.254 513 N HA 0.374 5.114 4.740 0.001 0.000 0.308 513 N C -1.122 173.989 175.510 -0.664 0.000 1.281 513 N CA -0.135 52.505 53.050 -0.683 0.000 1.212 513 N CB -0.599 37.619 38.487 -0.447 0.000 1.478 513 N HN 0.687 nan 8.380 nan 0.000 0.548 514 F N -0.484 119.458 119.950 -0.013 0.000 2.539 514 F HA 0.398 4.926 4.527 0.001 0.000 0.328 514 F C 1.270 177.063 175.800 -0.011 0.000 1.148 514 F CA -1.048 56.950 58.000 -0.004 0.000 0.940 514 F CB 1.767 40.770 39.000 0.004 0.000 1.194 514 F HN -0.018 nan 8.300 nan 0.000 0.438 515 R N 1.139 121.736 120.500 0.161 0.000 2.119 515 R HA 0.045 4.386 4.340 0.001 0.000 0.222 515 R C -0.046 176.295 176.300 0.068 0.000 1.088 515 R CA 0.901 57.049 56.100 0.079 0.000 0.984 515 R CB -0.051 30.276 30.300 0.046 0.000 0.884 515 R HN 0.776 nan 8.270 nan 0.000 0.447 516 N N -2.933 115.819 118.700 0.086 0.000 3.243 516 N HA 0.248 4.988 4.740 0.001 0.000 0.280 516 N C -0.234 175.286 175.510 0.017 0.000 1.545 516 N CA -0.226 52.845 53.050 0.034 0.000 0.854 516 N CB 0.340 38.833 38.487 0.009 0.000 1.612 516 N HN -0.159 nan 8.380 nan 0.000 0.577 517 A N -0.733 122.074 122.820 -0.023 0.000 2.014 517 A HA -0.075 4.246 4.320 0.001 0.000 0.218 517 A C 1.757 179.331 177.584 -0.017 0.000 1.163 517 A CA 1.503 53.511 52.037 -0.049 0.000 0.652 517 A CB -0.953 18.008 19.000 -0.065 0.000 0.808 517 A HN 0.810 nan 8.150 nan 0.000 0.449 518 E N 0.130 120.329 120.200 -0.000 0.000 2.077 518 E HA -0.246 4.105 4.350 0.001 0.000 0.193 518 E C 1.184 177.846 176.600 0.104 0.000 0.989 518 E CA 1.374 57.803 56.400 0.048 0.000 0.800 518 E CB -0.129 29.584 29.700 0.021 0.000 0.746 518 E HN 0.503 nan 8.360 nan 0.000 0.452 519 D N 0.152 120.607 120.400 0.091 0.000 2.116 519 D HA -0.185 4.456 4.640 0.001 0.000 0.193 519 D C 2.004 178.370 176.300 0.109 0.000 0.998 519 D CA 1.516 55.617 54.000 0.169 0.000 0.836 519 D CB -0.451 40.522 40.800 0.288 0.000 0.951 519 D HN 0.243 nan 8.370 nan 0.000 0.449 520 V N 0.044 119.833 119.914 -0.208 0.000 2.515 520 V HA -0.134 3.987 4.120 0.001 0.000 0.250 520 V C 1.974 177.907 176.094 -0.269 0.000 1.058 520 V CA 1.392 63.295 62.300 -0.663 0.000 1.064 520 V CB -0.496 30.653 31.823 -1.124 0.000 0.675 520 V HN 0.385 nan 8.190 nan 0.000 0.461 521 W N 1.194 122.379 121.300 -0.193 0.000 2.335 521 W HA -0.245 4.416 4.660 0.001 0.000 0.311 521 W C 2.232 178.747 176.519 -0.006 0.000 1.213 521 W CA 2.073 59.397 57.345 -0.035 0.000 1.274 521 W CB -0.370 29.084 29.460 -0.010 0.000 1.148 521 W HN 0.409 nan 8.180 nan 0.000 0.498 522 N N 0.633 119.357 118.700 0.040 0.000 2.149 522 N HA -0.225 4.515 4.740 0.001 0.000 0.188 522 N C 1.628 177.119 175.510 -0.031 0.000 1.019 522 N CA 1.904 54.918 53.050 -0.059 0.000 0.857 522 N CB -0.820 37.686 38.487 0.031 0.000 0.997 522 N HN 0.456 nan 8.380 nan 0.000 0.426 523 E N -0.026 120.194 120.200 0.032 0.000 2.046 523 E HA -0.151 4.200 4.350 0.001 0.000 0.190 523 E C 1.888 178.525 176.600 0.061 0.000 0.982 523 E CA 0.531 57.004 56.400 0.122 0.000 0.800 523 E CB -0.204 29.671 29.700 0.292 0.000 0.756 523 E HN 0.484 nan 8.360 nan 0.000 0.449 524 W N 1.698 122.702 121.300 -0.493 0.000 2.318 524 W HA -0.293 4.368 4.660 0.001 0.000 0.313 524 W C 2.174 178.419 176.519 -0.456 0.000 1.221 524 W CA 1.054 58.116 57.345 -0.471 0.000 1.266 524 W CB -0.070 29.028 29.460 -0.603 0.000 1.150 524 W HN 0.065 nan 8.180 nan 0.000 0.496 525 R N -0.139 119.935 120.500 -0.710 0.000 2.112 525 R HA -0.304 4.037 4.340 0.001 0.000 0.242 525 R C 2.408 178.495 176.300 -0.355 0.000 1.137 525 R CA 2.352 57.906 56.100 -0.911 0.000 0.944 525 R CB -1.121 28.784 30.300 -0.658 0.000 0.857 525 R HN 0.364 nan 8.270 nan 0.000 0.435 526 M N 0.617 120.233 119.600 0.026 0.000 2.117 526 M HA -0.146 4.335 4.480 0.001 0.000 0.262 526 M C 1.925 178.188 176.300 -0.061 0.000 1.065 526 M CA 1.636 56.997 55.300 0.101 0.000 1.114 526 M CB 0.093 32.805 32.600 0.187 0.000 1.361 526 M HN -0.002 nan 8.290 nan 0.000 0.408 527 V N 0.510 120.436 119.914 0.020 0.000 2.759 527 V HA -0.174 3.947 4.120 0.001 0.000 0.256 527 V C 2.493 178.544 176.094 -0.071 0.000 1.080 527 V CA 1.788 64.132 62.300 0.074 0.000 1.101 527 V CB -0.784 31.282 31.823 0.404 0.000 0.698 527 V HN 0.738 nan 8.190 nan 0.000 0.477 528 S N -0.930 114.552 115.700 -0.364 0.000 2.478 528 S HA -0.022 4.449 4.470 0.001 0.000 0.222 528 S C 1.143 175.524 174.600 -0.365 0.000 1.008 528 S CA 0.096 57.983 58.200 -0.521 0.000 0.928 528 S CB -0.208 62.281 63.200 -1.185 0.000 0.781 528 S HN 0.545 nan 8.310 nan 0.000 0.518 529 K N 1.278 121.474 120.400 -0.341 0.000 2.491 529 K HA 0.250 4.571 4.320 0.001 0.000 0.279 529 K C 1.231 177.688 176.600 -0.238 0.000 1.026 529 K CA 1.036 57.141 56.287 -0.303 0.000 1.070 529 K CB -0.357 31.892 32.500 -0.419 0.000 0.887 529 K HN 0.524 nan 8.250 nan 0.000 0.481 530 G N 2.379 111.057 108.800 -0.204 0.000 2.253 530 G HA2 -0.324 3.637 3.960 0.001 0.000 0.251 530 G HA3 -0.324 3.637 3.960 0.001 0.000 0.251 530 G C 0.299 175.131 174.900 -0.113 0.000 0.998 530 G CA 0.623 45.631 45.100 -0.154 0.000 0.621 530 G HN 0.830 nan 8.290 nan 0.000 0.524 531 T N -1.493 113.002 114.554 -0.100 0.000 2.816 531 T HA 0.498 4.849 4.350 0.001 0.000 0.282 531 T C 1.692 176.384 174.700 -0.013 0.000 0.993 531 T CA 1.153 63.236 62.100 -0.029 0.000 0.994 531 T CB 1.221 70.099 68.868 0.017 0.000 1.025 531 T HN 1.063 nan 8.240 nan 0.000 0.529 532 T N -1.970 112.610 114.554 0.043 0.000 3.215 532 T HA 0.066 4.417 4.350 0.001 0.000 0.254 532 T C 0.522 175.190 174.700 -0.053 0.000 1.149 532 T CA 0.223 62.319 62.100 -0.006 0.000 1.042 532 T CB -0.874 68.031 68.868 0.062 0.000 0.966 532 T HN 0.707 nan 8.240 nan 0.000 0.534 533 Y N 0.846 121.089 120.300 -0.094 0.000 2.625 533 Y HA 0.336 4.887 4.550 0.001 0.000 0.285 533 Y C 0.797 176.556 175.900 -0.235 0.000 1.168 533 Y CA -1.352 56.523 58.100 -0.376 0.000 1.250 533 Y CB 0.146 38.319 38.460 -0.478 0.000 1.130 533 Y HN 0.196 nan 8.280 nan 0.000 0.526 534 D N 1.396 121.788 120.400 -0.014 0.000 2.382 534 D HA -0.049 4.591 4.640 0.001 0.000 0.259 534 D C -0.148 176.155 176.300 0.005 0.000 1.224 534 D CA 0.114 54.051 54.000 -0.105 0.000 0.894 534 D CB 0.285 41.020 40.800 -0.108 0.000 1.127 534 D HN 0.356 nan 8.370 nan 0.000 0.487 535 F N 3.221 123.078 119.950 -0.154 0.000 2.835 535 F HA 0.273 4.800 4.527 0.001 0.000 0.342 535 F C 1.135 176.906 175.800 -0.049 0.000 1.202 535 F CA -1.229 56.726 58.000 -0.075 0.000 1.240 535 F CB -0.552 38.412 39.000 -0.060 0.000 1.005 535 F HN 0.369 nan 8.300 nan 0.000 0.507 536 W N 1.966 123.042 121.300 -0.374 0.000 2.392 536 W HA -0.027 4.634 4.660 0.001 0.000 0.279 536 W C 1.346 177.807 176.519 -0.098 0.000 1.225 536 W CA 1.905 59.057 57.345 -0.321 0.000 1.233 536 W CB -0.264 29.030 29.460 -0.277 0.000 1.122 536 W HN 0.368 nan 8.180 nan 0.000 0.561 537 G N 0.838 109.673 108.800 0.059 0.000 2.744 537 G HA2 -0.068 3.893 3.960 0.001 0.000 0.211 537 G HA3 -0.068 3.893 3.960 0.001 0.000 0.211 537 G C 0.820 175.758 174.900 0.063 0.000 1.143 537 G CA -0.252 44.868 45.100 0.035 0.000 0.788 537 G HN 0.133 nan 8.290 nan 0.000 0.534 538 M N 3.346 123.042 119.600 0.160 0.000 3.213 538 M HA 0.157 4.638 4.480 0.001 0.000 0.275 538 M C 0.537 177.026 176.300 0.315 0.000 1.424 538 M CA -0.228 55.257 55.300 0.307 0.000 1.561 538 M CB -0.157 32.793 32.600 0.582 0.000 1.109 538 M HN 0.103 nan 8.290 nan 0.000 0.552 539 T N -1.829 112.791 114.554 0.110 0.000 2.813 539 T HA 0.253 4.604 4.350 0.001 0.000 0.297 539 T C 1.415 176.192 174.700 0.127 0.000 1.036 539 T CA -0.676 61.465 62.100 0.068 0.000 1.044 539 T CB 1.528 70.371 68.868 -0.043 0.000 0.993 539 T HN 0.482 nan 8.240 nan 0.000 0.535 540 R N 0.449 121.003 120.500 0.090 0.000 2.096 540 R HA -0.098 4.243 4.340 0.001 0.000 0.235 540 R C 2.325 178.608 176.300 -0.029 0.000 1.127 540 R CA 1.651 57.739 56.100 -0.019 0.000 0.968 540 R CB -0.724 29.556 30.300 -0.033 0.000 0.861 540 R HN 0.846 nan 8.270 nan 0.000 0.440 541 E N 0.915 121.109 120.200 -0.010 0.000 2.051 541 E HA -0.140 4.211 4.350 0.001 0.000 0.192 541 E C 1.965 178.562 176.600 -0.006 0.000 0.991 541 E CA 1.392 57.783 56.400 -0.014 0.000 0.799 541 E CB -0.080 29.613 29.700 -0.011 0.000 0.748 541 E HN 0.145 nan 8.360 nan 0.000 0.449 542 R N -0.622 119.885 120.500 0.012 0.000 2.083 542 R HA -0.143 4.198 4.340 0.001 0.000 0.237 542 R C 2.107 178.420 176.300 0.021 0.000 1.137 542 R CA 1.447 57.563 56.100 0.027 0.000 0.951 542 R CB -0.402 29.930 30.300 0.054 0.000 0.851 542 R HN 0.216 nan 8.270 nan 0.000 0.434 543 L N 0.677 121.906 121.223 0.011 0.000 2.217 543 L HA -0.091 4.250 4.340 0.001 0.000 0.211 543 L C 2.195 179.034 176.870 -0.052 0.000 1.107 543 L CA 1.511 56.337 54.840 -0.023 0.000 0.783 543 L CB -0.602 41.404 42.059 -0.088 0.000 0.919 543 L HN 0.104 nan 8.230 nan 0.000 0.442 544 R N 0.055 120.521 120.500 -0.058 0.000 2.115 544 R HA -0.167 4.174 4.340 0.001 0.000 0.230 544 R C 2.061 178.341 176.300 -0.033 0.000 1.111 544 R CA 1.477 57.544 56.100 -0.056 0.000 0.976 544 R CB -0.197 30.069 30.300 -0.055 0.000 0.870 544 R HN 0.493 nan 8.270 nan 0.000 0.445 545 K N 0.083 120.472 120.400 -0.019 0.000 2.166 545 K HA 0.087 4.408 4.320 0.001 0.000 0.201 545 K C 0.584 177.181 176.600 -0.004 0.000 1.052 545 K CA 0.529 56.809 56.287 -0.010 0.000 0.969 545 K CB 0.230 32.727 32.500 -0.005 0.000 0.761 545 K HN -0.064 nan 8.250 nan 0.000 0.459 546 E N 1.393 121.595 120.200 0.004 0.000 2.280 546 E HA 0.166 4.517 4.350 0.001 0.000 0.264 546 E C -0.629 175.979 176.600 0.014 0.000 1.064 546 E CA -0.356 56.053 56.400 0.014 0.000 0.900 546 E CB 1.742 31.460 29.700 0.031 0.000 1.123 546 E HN 0.034 nan 8.360 nan 0.000 0.418 547 S N 0.797 116.510 115.700 0.022 0.000 3.700 547 S HA 0.435 4.906 4.470 0.001 0.000 0.192 547 S C 0.161 174.800 174.600 0.066 0.000 1.430 547 S CA -0.051 58.168 58.200 0.032 0.000 0.999 547 S CB -0.043 63.168 63.200 0.020 0.000 1.411 547 S HN 0.727 nan 8.310 nan 0.000 0.491 548 G N 1.629 110.472 108.800 0.072 0.000 2.777 548 G HA2 -0.136 3.824 3.960 0.001 0.000 0.686 548 G HA3 -0.136 3.824 3.960 0.001 0.000 0.686 548 G C -1.142 173.815 174.900 0.095 0.000 1.177 548 G CA -1.046 44.118 45.100 0.107 0.000 0.775 548 G HN 0.514 nan 8.290 nan 0.000 0.613 549 L N 1.368 122.661 121.223 0.117 0.000 2.362 549 L HA 0.663 5.004 4.340 0.001 0.000 0.271 549 L C 0.556 177.438 176.870 0.021 0.000 1.002 549 L CA -1.144 53.747 54.840 0.086 0.000 0.818 549 L CB 2.083 44.220 42.059 0.130 0.000 1.298 549 L HN 0.540 nan 8.230 nan 0.000 0.420 550 I N 2.509 123.051 120.570 -0.047 0.000 2.315 550 I HA 0.179 4.350 4.170 0.001 0.000 0.291 550 I C -0.139 175.866 176.117 -0.187 0.000 1.006 550 I CA -0.519 60.659 61.300 -0.203 0.000 1.265 550 I CB 0.672 38.526 38.000 -0.243 0.000 1.387 550 I HN 0.573 nan 8.210 nan 0.000 0.475 551 W N 6.674 127.796 121.300 -0.296 0.000 2.161 551 W HA 0.449 5.110 4.660 0.001 0.000 0.344 551 W C -2.838 173.563 176.519 -0.197 0.000 1.262 551 W CA -2.725 54.478 57.345 -0.236 0.000 1.270 551 W CB -0.527 28.740 29.460 -0.322 0.000 1.126 551 W HN 0.208 nan 8.180 nan 0.000 0.598 552 P HA -0.017 nan 4.420 nan 0.000 0.263 552 P C -0.303 177.015 177.300 0.031 0.000 1.195 552 P CA 0.269 63.479 63.100 0.183 0.000 0.762 552 P CB 0.325 32.059 31.700 0.056 0.000 0.799 553 C N 7.531 126.869 119.300 0.064 0.000 3.445 553 C HA 0.344 4.804 4.460 0.001 0.000 0.213 553 C C -1.604 173.390 174.990 0.006 0.000 1.319 553 C CA -2.083 56.953 59.018 0.031 0.000 1.402 553 C CB 0.117 27.966 27.740 0.182 0.000 1.819 553 C HN 0.493 nan 8.230 nan 0.000 0.491 554 P HA 0.052 nan 4.420 nan 0.000 0.242 554 P C 0.254 177.619 177.300 0.108 0.000 1.197 554 P CA 1.114 64.192 63.100 -0.038 0.000 0.765 554 P CB 0.194 31.815 31.700 -0.131 0.000 0.936 555 S N -2.016 113.762 115.700 0.129 0.000 2.587 555 S HA 0.267 4.738 4.470 0.001 0.000 0.269 555 S C 0.538 175.232 174.600 0.157 0.000 1.154 555 S CA -0.715 57.601 58.200 0.193 0.000 0.824 555 S CB 0.954 64.255 63.200 0.168 0.000 1.118 555 S HN -0.188 nan 8.310 nan 0.000 0.462 556 E N 0.335 120.606 120.200 0.118 0.000 2.347 556 E HA -0.062 4.289 4.350 0.001 0.000 0.196 556 E C 0.209 176.861 176.600 0.086 0.000 1.008 556 E CA 1.241 57.688 56.400 0.078 0.000 0.852 556 E CB -0.105 29.620 29.700 0.042 0.000 0.783 556 E HN 0.734 nan 8.360 nan 0.000 0.505 557 D N -0.951 119.512 120.400 0.104 0.000 2.402 557 D HA -0.058 4.583 4.640 0.001 0.000 0.216 557 D C 0.192 176.547 176.300 0.091 0.000 1.128 557 D CA -0.117 53.931 54.000 0.080 0.000 0.833 557 D CB -0.221 40.614 40.800 0.058 0.000 0.971 557 D HN 0.041 nan 8.370 nan 0.000 0.503 558 H N 1.846 120.942 119.070 0.043 0.000 2.517 558 H HA 0.203 4.760 4.556 0.001 0.000 0.317 558 H C -1.681 173.668 175.328 0.036 0.000 1.080 558 H CA -1.491 54.581 56.048 0.040 0.000 1.301 558 H CB 2.245 32.036 29.762 0.049 0.000 1.425 558 H HN -0.146 nan 8.280 nan 0.000 0.471 559 P HA 0.092 nan 4.420 nan 0.000 0.237 559 P C 0.426 177.755 177.300 0.048 0.000 1.178 559 P CA 0.927 63.987 63.100 -0.067 0.000 0.766 559 P CB 0.665 32.280 31.700 -0.142 0.000 0.876 560 G N -0.911 108.040 108.800 0.252 0.000 2.631 560 G HA2 -0.069 3.892 3.960 0.001 0.000 0.504 560 G HA3 -0.069 3.892 3.960 0.001 0.000 0.504 560 G C -1.105 173.904 174.900 0.182 0.000 1.306 560 G CA -0.642 44.605 45.100 0.244 0.000 0.897 560 G HN 0.149 nan 8.290 nan 0.000 0.520 561 T N 0.342 114.928 114.554 0.054 0.000 2.841 561 T HA 0.647 4.998 4.350 0.001 0.000 0.285 561 T C 1.306 175.926 174.700 -0.133 0.000 0.991 561 T CA 0.400 62.491 62.100 -0.014 0.000 0.966 561 T CB 1.601 70.441 68.868 -0.047 0.000 0.962 561 T HN 1.484 nan 8.240 nan 0.000 0.438 562 S N 3.065 118.698 115.700 -0.112 0.000 2.452 562 S HA 0.216 4.686 4.470 0.001 0.000 0.225 562 S C 0.571 175.067 174.600 -0.174 0.000 1.057 562 S CA -0.136 57.976 58.200 -0.146 0.000 0.949 562 S CB -0.335 62.805 63.200 -0.101 0.000 0.836 562 S HN 0.538 nan 8.310 nan 0.000 0.518 563 L N 2.887 124.029 121.223 -0.135 0.000 2.272 563 L HA 0.484 4.825 4.340 0.001 0.000 0.284 563 L C 0.200 176.946 176.870 -0.206 0.000 1.045 563 L CA -0.534 54.211 54.840 -0.158 0.000 0.842 563 L CB 0.700 42.707 42.059 -0.087 0.000 1.224 563 L HN 0.055 nan 8.230 nan 0.000 0.430 564 R N 2.209 122.483 120.500 -0.378 0.000 2.694 564 R HA 0.148 4.489 4.340 0.001 0.000 0.268 564 R C -0.251 175.731 176.300 -0.531 0.000 1.061 564 R CA -0.137 55.623 56.100 -0.568 0.000 1.133 564 R CB 0.211 29.895 30.300 -1.027 0.000 1.020 564 R HN 0.491 nan 8.270 nan 0.000 0.475 565 Y N -2.455 117.744 120.300 -0.168 0.000 4.907 565 Y HA -0.215 4.335 4.550 0.001 0.000 0.246 565 Y C -0.437 175.386 175.900 -0.128 0.000 0.968 565 Y CA -0.185 57.721 58.100 -0.324 0.000 1.961 565 Y CB -2.143 35.927 38.460 -0.650 0.000 1.487 565 Y HN 0.255 nan 8.280 nan 0.000 0.575 566 V N 1.640 121.617 119.914 0.105 0.000 2.334 566 V HA 0.303 4.423 4.120 0.001 0.000 0.281 566 V C 0.848 177.066 176.094 0.206 0.000 1.016 566 V CA -1.208 61.224 62.300 0.221 0.000 0.832 566 V CB 1.607 33.523 31.823 0.154 0.000 0.999 566 V HN 0.228 nan 8.190 nan 0.000 0.439 567 R N 3.249 123.890 120.500 0.235 0.000 2.494 567 R HA 0.252 4.593 4.340 0.001 0.000 0.291 567 R C 1.335 177.712 176.300 0.127 0.000 0.953 567 R CA 1.514 57.722 56.100 0.179 0.000 1.098 567 R CB -0.016 30.383 30.300 0.166 0.000 0.911 567 R HN 1.144 nan 8.270 nan 0.000 0.407 568 G N 2.658 111.522 108.800 0.107 0.000 2.234 568 G HA2 -0.237 3.724 3.960 0.001 0.000 0.235 568 G HA3 -0.237 3.724 3.960 0.001 0.000 0.235 568 G C 0.632 175.573 174.900 0.069 0.000 0.997 568 G CA 0.276 45.422 45.100 0.077 0.000 0.623 568 G HN 0.605 nan 8.290 nan 0.000 0.514 569 Q N -0.332 119.516 119.800 0.079 0.000 2.422 569 Q HA 0.189 4.529 4.340 0.001 0.000 0.255 569 Q C -0.135 175.906 176.000 0.068 0.000 0.864 569 Q CA 0.460 56.296 55.803 0.055 0.000 0.968 569 Q CB 0.757 29.516 28.738 0.035 0.000 1.130 569 Q HN 0.493 nan 8.270 nan 0.000 0.556 570 D N 2.284 122.734 120.400 0.084 0.000 2.349 570 D HA 0.159 4.800 4.640 0.001 0.000 0.232 570 D C -1.752 174.610 176.300 0.104 0.000 1.071 570 D CA -2.093 51.957 54.000 0.084 0.000 0.832 570 D CB 2.011 42.865 40.800 0.091 0.000 1.086 570 D HN -0.140 nan 8.370 nan 0.000 0.504 571 P HA -0.050 nan 4.420 nan 0.000 0.226 571 P C 1.031 178.323 177.300 -0.014 0.000 1.153 571 P CA 0.388 63.514 63.100 0.044 0.000 0.777 571 P CB 0.156 31.822 31.700 -0.057 0.000 0.794 572 C N -0.564 118.703 119.300 -0.055 0.000 2.522 572 C HA 0.109 4.569 4.460 0.001 0.000 0.271 572 C C 1.260 176.148 174.990 -0.170 0.000 1.425 572 C CA -0.102 58.780 59.018 -0.227 0.000 1.751 572 C CB -1.099 26.350 27.740 -0.484 0.000 1.775 572 C HN 0.027 nan 8.230 nan 0.000 0.557 573 V N 3.111 123.086 119.914 0.102 0.000 2.385 573 V HA 0.220 4.341 4.120 0.001 0.000 0.269 573 V C -2.176 174.011 176.094 0.156 0.000 1.043 573 V CA -1.320 61.138 62.300 0.263 0.000 0.906 573 V CB 0.420 32.436 31.823 0.323 0.000 0.995 573 V HN 0.161 nan 8.190 nan 0.000 0.467 574 P HA 0.050 nan 4.420 nan 0.000 0.264 574 P C 0.820 178.186 177.300 0.110 0.000 1.183 574 P CA 0.292 63.450 63.100 0.098 0.000 0.763 574 P CB 0.781 32.535 31.700 0.090 0.000 0.807 575 A N 4.484 127.351 122.820 0.080 0.000 1.884 575 A HA -0.239 4.082 4.320 0.001 0.000 0.219 575 A C 1.536 179.160 177.584 0.067 0.000 1.197 575 A CA 2.260 54.339 52.037 0.071 0.000 0.637 575 A CB -1.322 17.708 19.000 0.050 0.000 0.827 575 A HN 0.656 nan 8.150 nan 0.000 0.450 576 D N -0.912 119.519 120.400 0.052 0.000 2.348 576 D HA -0.036 4.605 4.640 0.001 0.000 0.248 576 D C 0.444 176.760 176.300 0.026 0.000 1.142 576 D CA -0.044 53.972 54.000 0.028 0.000 0.904 576 D CB -1.163 39.644 40.800 0.013 0.000 0.901 576 D HN 0.583 nan 8.370 nan 0.000 0.523 577 H N 0.914 119.952 119.070 -0.053 0.000 2.848 577 H HA 0.127 4.684 4.556 0.001 0.000 0.341 577 H C -1.471 173.793 175.328 -0.106 0.000 1.060 577 H CA -1.212 54.762 56.048 -0.123 0.000 1.444 577 H CB 1.136 30.804 29.762 -0.158 0.000 1.446 577 H HN -0.197 nan 8.280 nan 0.000 0.583 578 P HA -0.079 nan 4.420 nan 0.000 0.218 578 P C -0.494 176.595 177.300 -0.352 0.000 1.148 578 P CA 1.283 64.128 63.100 -0.426 0.000 0.822 578 P CB 0.416 31.868 31.700 -0.413 0.000 0.784 579 D N -1.789 118.338 120.400 -0.455 0.000 2.269 579 D HA 0.120 4.760 4.640 0.001 0.000 0.244 579 D C 1.242 177.568 176.300 0.045 0.000 0.992 579 D CA -0.504 53.431 54.000 -0.110 0.000 0.894 579 D CB 1.355 42.181 40.800 0.043 0.000 1.248 579 D HN 0.041 nan 8.370 nan 0.000 0.468 580 R N 0.227 120.675 120.500 -0.087 0.000 2.148 580 R HA -0.028 4.312 4.340 0.001 0.000 0.227 580 R C -0.039 176.120 176.300 -0.237 0.000 1.103 580 R CA 0.878 56.808 56.100 -0.284 0.000 0.983 580 R CB -0.170 29.786 30.300 -0.573 0.000 0.874 580 R HN 0.161 nan 8.270 nan 0.000 0.451 581 F N -0.409 119.608 119.950 0.112 0.000 2.575 581 F HA 0.566 5.094 4.527 0.001 0.000 0.330 581 F C -0.583 175.328 175.800 0.184 0.000 1.056 581 F CA -2.271 55.681 58.000 -0.080 0.000 0.964 581 F CB 1.205 39.879 39.000 -0.544 0.000 1.258 581 F HN -0.186 nan 8.300 nan 0.000 0.484 582 F N 2.314 122.211 119.950 -0.088 0.000 3.287 582 F HA 0.404 4.932 4.527 0.001 0.000 0.379 582 F C -1.869 173.704 175.800 -0.378 0.000 1.268 582 F CA -2.100 55.853 58.000 -0.079 0.000 1.220 582 F CB 0.329 39.227 39.000 -0.169 0.000 1.687 582 F HN 0.257 nan 8.300 nan 0.000 0.648 583 F N 7.184 127.104 119.950 -0.050 0.000 2.619 583 F HA 0.165 4.693 4.527 0.001 0.000 0.350 583 F C 0.731 176.154 175.800 -0.627 0.000 1.259 583 F CA -0.479 57.175 58.000 -0.577 0.000 1.204 583 F CB -0.328 38.476 39.000 -0.326 0.000 1.556 583 F HN 0.427 nan 8.300 nan 0.000 0.650 584 Y N -1.069 118.830 120.300 -0.668 0.000 2.529 584 Y HA 0.303 4.854 4.550 0.001 0.000 0.290 584 Y C 1.627 177.355 175.900 -0.286 0.000 1.177 584 Y CA -0.423 57.163 58.100 -0.856 0.000 1.305 584 Y CB -0.973 36.753 38.460 -1.223 0.000 1.047 584 Y HN 0.416 nan 8.280 nan 0.000 0.522 585 G N 0.339 109.080 108.800 -0.098 0.000 2.813 585 G HA2 0.038 3.999 3.960 0.001 0.000 0.209 585 G HA3 0.038 3.999 3.960 0.001 0.000 0.209 585 G C 0.553 175.492 174.900 0.065 0.000 1.150 585 G CA -0.233 44.909 45.100 0.069 0.000 0.785 585 G HN 0.020 nan 8.290 nan 0.000 0.535 586 K N 0.408 120.825 120.400 0.028 0.000 2.270 586 K HA 0.298 4.619 4.320 0.001 0.000 0.255 586 K C -1.917 174.741 176.600 0.097 0.000 0.936 586 K CA -2.181 54.141 56.287 0.059 0.000 0.809 586 K CB 2.630 35.146 32.500 0.027 0.000 1.131 586 K HN -0.171 nan 8.250 nan 0.000 0.427 587 P HA -0.130 nan 4.420 nan 0.000 0.228 587 P C 0.153 177.546 177.300 0.155 0.000 1.151 587 P CA 1.121 64.297 63.100 0.126 0.000 0.770 587 P CB 0.296 32.054 31.700 0.097 0.000 0.786 588 D N -2.210 118.277 120.400 0.145 0.000 2.398 588 D HA 0.159 4.800 4.640 0.001 0.000 0.210 588 D C 1.362 177.818 176.300 0.260 0.000 1.094 588 D CA 0.174 54.273 54.000 0.166 0.000 0.839 588 D CB -0.598 40.258 40.800 0.093 0.000 0.963 588 D HN 0.181 nan 8.370 nan 0.000 0.506 589 G N 0.687 109.687 108.800 0.333 0.000 2.159 589 G HA2 -0.303 3.658 3.960 0.001 0.000 0.256 589 G HA3 -0.303 3.658 3.960 0.001 0.000 0.256 589 G C 0.087 175.259 174.900 0.453 0.000 0.977 589 G CA -0.147 45.255 45.100 0.504 0.000 0.652 589 G HN 0.445 nan 8.290 nan 0.000 0.531 590 R N 0.298 120.948 120.500 0.251 0.000 2.460 590 R HA 0.715 5.056 4.340 0.001 0.000 0.303 590 R C 0.655 176.904 176.300 -0.084 0.000 0.968 590 R CA -0.022 56.166 56.100 0.146 0.000 0.889 590 R CB 1.569 31.875 30.300 0.012 0.000 1.123 590 R HN 0.423 nan 8.270 nan 0.000 0.455 591 A N 2.346 124.927 122.820 -0.397 0.000 2.327 591 A HA 0.471 4.792 4.320 0.001 0.000 0.255 591 A C -0.250 176.992 177.584 -0.571 0.000 1.099 591 A CA -0.362 51.249 52.037 -0.710 0.000 0.801 591 A CB 0.691 18.924 19.000 -1.279 0.000 1.062 591 A HN 0.429 nan 8.150 nan 0.000 0.496 592 V N 0.959 120.501 119.914 -0.619 0.000 2.588 592 V HA 0.353 4.473 4.120 0.001 0.000 0.304 592 V C -0.369 175.344 176.094 -0.634 0.000 1.042 592 V CA -0.200 61.715 62.300 -0.641 0.000 0.877 592 V CB 1.502 32.928 31.823 -0.660 0.000 0.996 592 V HN 0.705 nan 8.190 nan 0.000 0.425 593 I N 3.629 123.757 120.570 -0.737 0.000 2.331 593 I HA 0.347 4.518 4.170 0.001 0.000 0.292 593 I C -0.928 174.823 176.117 -0.610 0.000 0.998 593 I CA -0.043 60.896 61.300 -0.600 0.000 1.267 593 I CB 1.168 38.657 38.000 -0.852 0.000 1.386 593 I HN 0.607 nan 8.210 nan 0.000 0.476 594 W N 6.748 127.874 121.300 -0.291 0.000 2.529 594 W HA 0.449 5.110 4.660 0.001 0.000 0.321 594 W C 0.026 176.377 176.519 -0.280 0.000 1.047 594 W CA -0.616 56.568 57.345 -0.269 0.000 1.216 594 W CB 1.282 30.599 29.460 -0.239 0.000 1.357 594 W HN 0.274 nan 8.180 nan 0.000 0.489 595 M N 4.919 124.399 119.600 -0.200 0.000 3.654 595 M HA 0.218 4.698 4.480 0.001 0.000 0.212 595 M C -0.006 176.009 176.300 -0.476 0.000 1.354 595 M CA -0.307 54.590 55.300 -0.670 0.000 1.564 595 M CB -0.309 31.578 32.600 -1.188 0.000 1.056 595 M HN 0.068 nan 8.290 nan 0.000 0.608 596 R N 1.277 121.709 120.500 -0.113 0.000 2.370 596 R HA 0.270 4.611 4.340 0.001 0.000 0.309 596 R C -2.586 173.864 176.300 0.250 0.000 1.059 596 R CA -2.051 53.922 56.100 -0.211 0.000 0.981 596 R CB -0.616 29.356 30.300 -0.546 0.000 0.972 596 R HN 0.173 nan 8.270 nan 0.000 0.437 597 P HA 0.050 nan 4.420 nan 0.000 0.268 597 P C -0.680 176.825 177.300 0.342 0.000 1.205 597 P CA -0.055 63.283 63.100 0.396 0.000 0.771 597 P CB 0.727 32.604 31.700 0.295 0.000 0.858 598 A N 3.049 126.098 122.820 0.382 0.000 2.289 598 A HA 0.488 4.809 4.320 0.001 0.000 0.298 598 A C 0.357 178.072 177.584 0.219 0.000 1.208 598 A CA 0.203 52.405 52.037 0.275 0.000 0.845 598 A CB 0.107 19.281 19.000 0.290 0.000 1.125 598 A HN 0.391 nan 8.150 nan 0.000 0.517 599 K N 0.974 121.470 120.400 0.160 0.000 2.479 599 K HA 0.841 5.161 4.320 0.001 0.000 0.284 599 K C 0.724 177.373 176.600 0.081 0.000 0.968 599 K CA 0.391 56.748 56.287 0.117 0.000 1.226 599 K CB 0.533 33.101 32.500 0.113 0.000 3.370 599 K HN 0.930 nan 8.250 nan 0.000 1.103 600 G N -0.924 107.914 108.800 0.064 0.000 2.753 600 G HA2 0.557 4.518 3.960 0.001 0.000 0.303 600 G HA3 0.557 4.518 3.960 0.001 0.000 0.303 600 G C -1.454 173.473 174.900 0.045 0.000 1.242 600 G CA -0.255 44.877 45.100 0.054 0.000 0.810 600 G HN 0.527 nan 8.290 nan 0.000 0.515 601 A N -0.507 122.354 122.820 0.069 0.000 2.466 601 A HA 0.555 4.876 4.320 0.001 0.000 0.238 601 A C 1.850 179.454 177.584 0.034 0.000 1.074 601 A CA 1.125 53.200 52.037 0.063 0.000 0.774 601 A CB 0.250 19.328 19.000 0.130 0.000 1.015 601 A HN 1.983 nan 8.150 nan 0.000 0.498 602 A N 0.486 123.312 122.820 0.009 0.000 1.902 602 A HA -0.030 4.290 4.320 0.001 0.000 0.217 602 A C 1.154 178.732 177.584 -0.010 0.000 1.181 602 A CA 1.761 53.792 52.037 -0.010 0.000 0.623 602 A CB -0.209 18.772 19.000 -0.031 0.000 0.818 602 A HN 0.851 nan 8.150 nan 0.000 0.443 603 E N 1.016 121.212 120.200 -0.006 0.000 2.256 603 E HA 0.219 4.570 4.350 0.001 0.000 0.243 603 E C -0.959 175.636 176.600 -0.009 0.000 0.925 603 E CA -0.464 55.919 56.400 -0.029 0.000 0.748 603 E CB 0.371 30.029 29.700 -0.070 0.000 1.206 603 E HN 0.380 nan 8.360 nan 0.000 0.428 604 E N 3.106 123.304 120.200 -0.005 0.000 2.349 604 E HA 0.254 4.605 4.350 0.001 0.000 0.265 604 E C -2.213 174.316 176.600 -0.118 0.000 1.064 604 E CA -1.910 54.477 56.400 -0.022 0.000 0.886 604 E CB 0.710 30.419 29.700 0.015 0.000 1.036 604 E HN 0.427 nan 8.360 nan 0.000 0.413 605 P HA 0.029 nan 4.420 nan 0.000 0.269 605 P C -0.757 176.476 177.300 -0.112 0.000 1.215 605 P CA 0.172 63.133 63.100 -0.232 0.000 0.780 605 P CB 0.562 31.994 31.700 -0.447 0.000 0.898 606 D N -0.604 119.772 120.400 -0.039 0.000 2.752 606 D HA 0.386 5.027 4.640 0.001 0.000 0.313 606 D C 0.783 177.074 176.300 -0.016 0.000 1.225 606 D CA -0.752 53.237 54.000 -0.017 0.000 0.976 606 D CB -0.047 40.757 40.800 0.008 0.000 1.443 606 D HN 0.181 nan 8.370 nan 0.000 0.515 607 A N -0.008 122.799 122.820 -0.023 0.000 1.915 607 A HA -0.309 4.012 4.320 0.001 0.000 0.220 607 A C 1.909 179.449 177.584 -0.073 0.000 1.198 607 A CA 2.642 54.655 52.037 -0.041 0.000 0.647 607 A CB -1.145 17.833 19.000 -0.037 0.000 0.825 607 A HN 0.758 nan 8.150 nan 0.000 0.456 608 E N -1.934 118.217 120.200 -0.083 0.000 2.072 608 E HA -0.152 4.198 4.350 0.001 0.000 0.191 608 E C -0.463 175.878 176.600 -0.432 0.000 0.985 608 E CA 0.806 57.070 56.400 -0.227 0.000 0.801 608 E CB -0.055 29.540 29.700 -0.175 0.000 0.750 608 E HN 0.687 nan 8.360 nan 0.000 0.452 609 Y N -0.139 120.119 120.300 -0.070 0.000 2.749 609 Y HA 0.286 4.837 4.550 0.001 0.000 0.343 609 Y C -2.041 173.795 175.900 -0.108 0.000 1.015 609 Y CA -2.329 55.720 58.100 -0.084 0.000 1.270 609 Y CB 1.807 40.212 38.460 -0.092 0.000 1.097 609 Y HN 0.090 nan 8.280 nan 0.000 0.571 610 P HA 0.039 nan 4.420 nan 0.000 0.249 610 P C -0.354 176.903 177.300 -0.071 0.000 1.241 610 P CA 0.725 63.797 63.100 -0.046 0.000 0.781 610 P CB 0.607 32.284 31.700 -0.037 0.000 1.088 611 L N -0.736 120.452 121.223 -0.058 0.000 2.362 611 L HA 0.419 4.759 4.340 0.001 0.000 0.271 611 L C 0.078 176.887 176.870 -0.102 0.000 1.002 611 L CA -1.420 53.394 54.840 -0.043 0.000 0.818 611 L CB 1.460 43.537 42.059 0.030 0.000 1.298 611 L HN -0.180 nan 8.230 nan 0.000 0.420 612 Y N 2.567 122.894 120.300 0.046 0.000 2.411 612 Y HA 0.298 4.848 4.550 0.001 0.000 0.333 612 Y C 0.007 175.936 175.900 0.048 0.000 1.186 612 Y CA -0.091 58.037 58.100 0.047 0.000 1.381 612 Y CB 0.944 39.442 38.460 0.062 0.000 1.273 612 Y HN 0.306 nan 8.280 nan 0.000 0.546 613 L N 3.247 124.596 121.223 0.211 0.000 2.356 613 L HA 0.593 4.934 4.340 0.001 0.000 0.277 613 L C -0.389 176.659 176.870 0.298 0.000 0.996 613 L CA -0.087 54.847 54.840 0.155 0.000 0.822 613 L CB 1.866 43.894 42.059 -0.053 0.000 1.256 613 L HN 0.660 nan 8.230 nan 0.000 0.413 614 T N 2.398 117.133 114.554 0.302 0.000 2.910 614 T HA 0.897 5.248 4.350 0.001 0.000 0.287 614 T C -0.964 173.919 174.700 0.306 0.000 1.050 614 T CA 0.067 62.349 62.100 0.303 0.000 1.011 614 T CB 1.231 70.202 68.868 0.172 0.000 1.195 614 T HN 0.929 nan 8.240 nan 0.000 0.540 615 S N 1.413 117.185 115.700 0.120 0.000 2.541 615 S HA 0.795 5.266 4.470 0.001 0.000 0.271 615 S C -1.088 173.542 174.600 0.050 0.000 1.133 615 S CA -0.958 57.263 58.200 0.036 0.000 0.876 615 S CB 1.502 64.484 63.200 -0.362 0.000 1.105 615 S HN 0.910 nan 8.310 nan 0.000 0.470 616 M N 0.016 119.702 119.600 0.144 0.000 2.721 616 M HA 0.742 5.222 4.480 0.001 0.000 0.271 616 M C -1.115 175.255 176.300 0.116 0.000 1.259 616 M CA -0.809 54.568 55.300 0.128 0.000 0.835 616 M CB 0.696 33.351 32.600 0.092 0.000 1.689 616 M HN 0.415 nan 8.290 nan 0.000 0.470 617 R N 0.459 120.986 120.500 0.046 0.000 2.560 617 R HA 0.861 5.201 4.340 0.001 0.000 0.270 617 R C -1.077 175.197 176.300 -0.044 0.000 1.074 617 R CA -0.886 55.171 56.100 -0.072 0.000 1.140 617 R CB 1.086 31.329 30.300 -0.095 0.000 1.073 617 R HN 0.687 nan 8.270 nan 0.000 0.527 618 V N 2.461 122.321 119.914 -0.090 0.000 2.841 618 V HA 0.261 4.381 4.120 0.001 0.000 0.310 618 V C 1.387 177.385 176.094 -0.159 0.000 1.090 618 V CA -0.625 61.643 62.300 -0.053 0.000 0.930 618 V CB 2.400 34.253 31.823 0.049 0.000 1.014 618 V HN 0.762 nan 8.190 nan 0.000 0.425 619 I N 1.651 122.121 120.570 -0.167 0.000 2.394 619 I HA -0.113 4.058 4.170 0.001 0.000 0.251 619 I C 1.559 177.502 176.117 -0.290 0.000 1.136 619 I CA 1.496 62.673 61.300 -0.204 0.000 1.425 619 I CB 0.262 38.160 38.000 -0.170 0.000 1.079 619 I HN 0.780 nan 8.210 nan 0.000 0.425 620 D N -0.507 119.649 120.400 -0.407 0.000 2.289 620 D HA 0.003 4.644 4.640 0.001 0.000 0.207 620 D C 0.357 176.221 176.300 -0.726 0.000 0.966 620 D CA 0.826 54.477 54.000 -0.582 0.000 0.868 620 D CB 0.032 40.401 40.800 -0.717 0.000 0.943 620 D HN 0.409 nan 8.370 nan 0.000 0.514 621 H N -0.685 118.150 119.070 -0.391 0.000 2.466 621 H HA 0.103 4.660 4.556 0.001 0.000 0.338 621 H C -0.405 174.742 175.328 -0.303 0.000 1.091 621 H CA -0.618 55.198 56.048 -0.387 0.000 1.207 621 H CB 1.449 30.849 29.762 -0.604 0.000 1.466 621 H HN 0.117 nan 8.280 nan 0.000 0.493 622 W N 5.754 126.867 121.300 -0.311 0.000 2.331 622 W HA 0.075 4.735 4.660 0.001 0.000 0.306 622 W C 0.002 176.409 176.519 -0.187 0.000 1.162 622 W CA -0.039 57.098 57.345 -0.348 0.000 1.232 622 W CB 0.237 29.514 29.460 -0.305 0.000 1.235 622 W HN 0.816 nan 8.180 nan 0.000 0.479 623 H N 1.276 119.889 119.070 -0.762 0.000 1.452 623 H HA -0.355 4.201 4.556 0.001 0.000 0.090 623 H C 1.963 177.057 175.328 -0.390 0.000 1.042 623 H CA 3.303 58.975 56.048 -0.626 0.000 1.901 623 H CB -1.647 27.744 29.762 -0.619 0.000 2.257 623 H HN 0.484 nan 8.280 nan 0.000 0.961 624 T N -0.686 113.785 114.554 -0.139 0.000 3.148 624 T HA 0.445 4.796 4.350 0.001 0.000 0.253 624 T C 1.271 175.926 174.700 -0.074 0.000 1.134 624 T CA 1.860 63.747 62.100 -0.355 0.000 1.051 624 T CB -0.187 68.349 68.868 -0.553 0.000 0.959 624 T HN 1.322 nan 8.240 nan 0.000 0.525 625 A N 0.654 123.494 122.820 0.034 0.000 2.945 625 A HA -0.204 4.117 4.320 0.001 0.000 0.251 625 A C 1.686 179.279 177.584 0.015 0.000 1.355 625 A CA 1.467 53.547 52.037 0.070 0.000 0.905 625 A CB -2.888 16.167 19.000 0.093 0.000 1.104 625 A HN 1.077 nan 8.150 nan 0.000 0.733 626 T N -3.313 111.232 114.554 -0.014 0.000 3.085 626 T HA 0.283 4.634 4.350 0.001 0.000 0.263 626 T C 1.492 175.871 174.700 -0.536 0.000 1.127 626 T CA 1.461 63.465 62.100 -0.161 0.000 1.103 626 T CB -0.159 68.686 68.868 -0.038 0.000 0.921 626 T HN 0.598 nan 8.240 nan 0.000 0.510 627 M N 1.240 120.651 119.600 -0.316 0.000 3.101 627 M HA 0.120 4.601 4.480 0.001 0.000 0.236 627 M C 2.764 178.986 176.300 -0.131 0.000 1.538 627 M CA 1.266 56.334 55.300 -0.386 0.000 1.309 627 M CB -0.184 32.353 32.600 -0.105 0.000 1.141 627 M HN 0.324 nan 8.290 nan 0.000 0.579 628 T N -1.132 113.427 114.554 0.009 0.000 2.897 628 T HA -0.073 4.278 4.350 0.001 0.000 0.271 628 T C 1.764 176.454 174.700 -0.016 0.000 1.084 628 T CA 1.404 63.489 62.100 -0.025 0.000 1.123 628 T CB -1.140 67.677 68.868 -0.085 0.000 0.865 628 T HN 0.516 nan 8.240 nan 0.000 0.496 629 G N 1.481 110.279 108.800 -0.003 0.000 2.509 629 G HA2 -0.090 3.870 3.960 0.001 0.000 0.218 629 G HA3 -0.090 3.870 3.960 0.001 0.000 0.218 629 G C 1.599 176.486 174.900 -0.022 0.000 1.124 629 G CA 0.142 45.250 45.100 0.013 0.000 0.776 629 G HN 0.412 nan 8.290 nan 0.000 0.547 630 K N 0.215 120.574 120.400 -0.069 0.000 2.459 630 K HA 0.132 4.453 4.320 0.001 0.000 0.193 630 K C 0.301 176.891 176.600 -0.018 0.000 1.030 630 K CA 0.036 56.292 56.287 -0.051 0.000 1.026 630 K CB 0.518 32.964 32.500 -0.090 0.000 0.809 630 K HN 0.220 nan 8.250 nan 0.000 0.504 631 V N 3.231 123.132 119.914 -0.021 0.000 2.311 631 V HA 0.120 4.241 4.120 0.001 0.000 0.275 631 V C -1.740 174.341 176.094 -0.021 0.000 1.022 631 V CA -1.532 60.758 62.300 -0.017 0.000 0.830 631 V CB 1.378 33.185 31.823 -0.028 0.000 1.012 631 V HN -0.078 nan 8.190 nan 0.000 0.452 632 P HA -0.203 nan 4.420 nan 0.000 0.215 632 P C 1.563 178.849 177.300 -0.024 0.000 1.157 632 P CA 1.318 64.413 63.100 -0.008 0.000 0.874 632 P CB 0.221 31.920 31.700 -0.001 0.000 0.790 633 E N -0.074 120.106 120.200 -0.034 0.000 2.265 633 E HA -0.144 4.207 4.350 0.001 0.000 0.196 633 E C 1.842 178.387 176.600 -0.092 0.000 0.996 633 E CA 1.021 57.391 56.400 -0.052 0.000 0.832 633 E CB -1.190 28.483 29.700 -0.045 0.000 0.756 633 E HN 0.351 nan 8.360 nan 0.000 0.491 634 L N 0.523 121.676 121.223 -0.117 0.000 2.554 634 L HA -0.029 4.312 4.340 0.001 0.000 0.226 634 L C 1.750 178.476 176.870 -0.240 0.000 1.137 634 L CA 0.360 55.068 54.840 -0.219 0.000 0.863 634 L CB -0.063 41.846 42.059 -0.251 0.000 0.985 634 L HN -0.040 nan 8.230 nan 0.000 0.451 635 Q N -0.597 119.151 119.800 -0.087 0.000 2.319 635 Q HA -0.001 4.339 4.340 0.001 0.000 0.202 635 Q C 1.632 177.635 176.000 0.005 0.000 0.896 635 Q CA 0.352 56.162 55.803 0.012 0.000 0.942 635 Q CB 0.362 29.131 28.738 0.052 0.000 1.083 635 Q HN 0.151 nan 8.270 nan 0.000 0.510 636 K N 0.971 121.345 120.400 -0.042 0.000 2.116 636 K HA 0.113 4.433 4.320 0.001 0.000 0.203 636 K C 1.706 178.290 176.600 -0.027 0.000 1.052 636 K CA 1.099 57.369 56.287 -0.029 0.000 0.952 636 K CB -0.033 32.441 32.500 -0.042 0.000 0.729 636 K HN 0.145 nan 8.250 nan 0.000 0.446 637 A N 0.426 123.214 122.820 -0.053 0.000 1.862 637 A HA 0.076 4.396 4.320 0.001 0.000 0.211 637 A C 0.248 177.829 177.584 -0.004 0.000 1.220 637 A CA 0.759 52.767 52.037 -0.048 0.000 0.616 637 A CB -0.066 18.883 19.000 -0.086 0.000 0.878 637 A HN 0.227 nan 8.150 nan 0.000 0.453 638 N N 0.374 119.099 118.700 0.041 0.000 2.800 638 N HA 0.292 5.033 4.740 0.001 0.000 0.240 638 N C -2.525 173.174 175.510 0.315 0.000 1.096 638 N CA -1.212 51.959 53.050 0.202 0.000 0.877 638 N CB 1.338 40.002 38.487 0.295 0.000 1.138 638 N HN 0.148 nan 8.380 nan 0.000 0.509 639 P HA 0.046 nan 4.420 nan 0.000 0.220 639 P C 0.452 177.930 177.300 0.298 0.000 1.152 639 P CA 0.883 64.124 63.100 0.234 0.000 0.812 639 P CB 0.476 32.262 31.700 0.143 0.000 0.792 640 I N -6.294 114.476 120.570 0.334 0.000 3.191 640 I HA 0.783 4.953 4.170 0.001 0.000 0.313 640 I C -0.959 175.277 176.117 0.198 0.000 1.193 640 I CA -2.102 59.321 61.300 0.204 0.000 0.968 640 I CB 1.773 39.839 38.000 0.109 0.000 1.262 640 I HN -0.323 nan 8.210 nan 0.000 0.456 641 A N 2.133 124.883 122.820 -0.116 0.000 2.386 641 A HA 0.739 5.060 4.320 0.001 0.000 0.248 641 A C -0.653 176.934 177.584 0.005 0.000 1.082 641 A CA -0.017 51.852 52.037 -0.280 0.000 0.789 641 A CB -0.021 18.716 19.000 -0.437 0.000 1.025 641 A HN 0.746 nan 8.150 nan 0.000 0.490 642 F N -0.536 119.403 119.950 -0.019 0.000 2.706 642 F HA 0.752 5.280 4.527 0.001 0.000 0.328 642 F C -0.725 175.079 175.800 0.006 0.000 1.123 642 F CA -1.416 56.587 58.000 0.006 0.000 0.978 642 F CB 1.486 40.508 39.000 0.037 0.000 1.404 642 F HN 0.480 nan 8.300 nan 0.000 0.497 643 V N 1.137 121.185 119.914 0.224 0.000 2.525 643 V HA 0.398 4.519 4.120 0.001 0.000 0.299 643 V C -0.848 175.370 176.094 0.208 0.000 1.034 643 V CA -0.379 62.001 62.300 0.134 0.000 0.863 643 V CB 1.579 33.433 31.823 0.053 0.000 0.999 643 V HN 0.849 nan 8.190 nan 0.000 0.423 644 E N 6.739 127.083 120.200 0.240 0.000 2.344 644 E HA 0.446 4.796 4.350 0.001 0.000 0.270 644 E C -0.759 175.901 176.600 0.100 0.000 1.021 644 E CA 0.091 56.599 56.400 0.179 0.000 0.887 644 E CB 1.224 31.043 29.700 0.199 0.000 0.997 644 E HN 0.617 nan 8.360 nan 0.000 0.429 645 I N 2.152 122.756 120.570 0.058 0.000 2.582 645 I HA 0.192 4.363 4.170 0.001 0.000 0.292 645 I C -0.168 175.976 176.117 0.046 0.000 1.066 645 I CA -1.163 60.165 61.300 0.046 0.000 1.053 645 I CB 1.937 39.949 38.000 0.020 0.000 1.241 645 I HN 0.430 nan 8.210 nan 0.000 0.421 646 N N 3.322 122.056 118.700 0.056 0.000 2.492 646 N HA 0.005 4.746 4.740 0.001 0.000 0.260 646 N C 0.815 176.354 175.510 0.048 0.000 1.215 646 N CA 0.358 53.442 53.050 0.057 0.000 0.923 646 N CB 1.042 39.568 38.487 0.065 0.000 1.092 646 N HN 0.565 nan 8.380 nan 0.000 0.448 647 E N 1.516 121.747 120.200 0.050 0.000 2.012 647 E HA -0.228 4.123 4.350 0.001 0.000 0.197 647 E C 1.086 177.711 176.600 0.041 0.000 1.007 647 E CA 1.600 58.029 56.400 0.048 0.000 0.816 647 E CB -0.013 29.716 29.700 0.049 0.000 0.762 647 E HN 0.711 nan 8.360 nan 0.000 0.451 648 E N 0.515 120.740 120.200 0.041 0.000 2.171 648 E HA -0.223 4.128 4.350 0.001 0.000 0.197 648 E C 1.629 178.250 176.600 0.035 0.000 0.997 648 E CA 1.152 57.575 56.400 0.037 0.000 0.810 648 E CB -0.045 29.679 29.700 0.039 0.000 0.738 648 E HN 0.242 nan 8.360 nan 0.000 0.467 649 D N 0.301 120.725 120.400 0.039 0.000 2.091 649 D HA -0.064 4.577 4.640 0.001 0.000 0.199 649 D C 1.932 178.249 176.300 0.028 0.000 0.980 649 D CA 1.304 55.326 54.000 0.036 0.000 0.831 649 D CB -0.406 40.420 40.800 0.044 0.000 0.987 649 D HN 0.132 nan 8.370 nan 0.000 0.460 650 A N 1.353 124.190 122.820 0.029 0.000 1.859 650 A HA -0.229 4.092 4.320 0.001 0.000 0.218 650 A C 2.351 179.948 177.584 0.022 0.000 1.209 650 A CA 3.238 55.289 52.037 0.023 0.000 0.639 650 A CB -1.278 17.737 19.000 0.025 0.000 0.835 650 A HN 0.256 nan 8.150 nan 0.000 0.450 651 A N -0.739 122.096 122.820 0.025 0.000 1.927 651 A HA -0.269 4.051 4.320 0.001 0.000 0.220 651 A C 2.265 179.859 177.584 0.018 0.000 1.185 651 A CA 2.294 54.344 52.037 0.022 0.000 0.639 651 A CB -0.581 18.433 19.000 0.024 0.000 0.820 651 A HN 0.605 nan 8.150 nan 0.000 0.451 652 R N -0.583 119.928 120.500 0.018 0.000 2.127 652 R HA -0.125 4.215 4.340 0.001 0.000 0.238 652 R C 1.493 177.799 176.300 0.009 0.000 1.134 652 R CA 1.962 58.070 56.100 0.014 0.000 0.975 652 R CB -0.283 30.027 30.300 0.016 0.000 0.865 652 R HN 0.650 nan 8.270 nan 0.000 0.447 653 T N -3.723 110.837 114.554 0.009 0.000 3.092 653 T HA 0.291 4.642 4.350 0.001 0.000 0.258 653 T C 0.852 175.554 174.700 0.004 0.000 1.031 653 T CA 0.119 62.222 62.100 0.004 0.000 0.925 653 T CB 1.125 69.995 68.868 0.002 0.000 1.036 653 T HN 0.339 nan 8.240 nan 0.000 0.544 654 G N 1.858 110.663 108.800 0.008 0.000 2.212 654 G HA2 -0.203 3.758 3.960 0.001 0.000 0.255 654 G HA3 -0.203 3.758 3.960 0.001 0.000 0.255 654 G C -0.150 174.755 174.900 0.010 0.000 1.062 654 G CA -0.241 44.864 45.100 0.009 0.000 0.815 654 G HN 0.657 nan 8.290 nan 0.000 0.497 655 I N 0.244 120.821 120.570 0.012 0.000 2.321 655 I HA 0.404 4.574 4.170 0.001 0.000 0.291 655 I C 0.624 176.752 176.117 0.019 0.000 0.998 655 I CA -0.619 60.687 61.300 0.011 0.000 1.227 655 I CB 1.484 39.486 38.000 0.004 0.000 1.368 655 I HN 0.119 nan 8.210 nan 0.000 0.466 656 K N 4.260 124.675 120.400 0.026 0.000 2.416 656 K HA 0.356 4.677 4.320 0.001 0.000 0.244 656 K C -0.322 176.316 176.600 0.063 0.000 1.044 656 K CA -0.737 55.581 56.287 0.051 0.000 0.972 656 K CB 0.950 33.481 32.500 0.051 0.000 1.286 656 K HN 0.479 nan 8.250 nan 0.000 0.500 657 H N -0.646 118.430 119.070 0.010 0.000 2.487 657 H HA 0.182 4.738 4.556 0.001 0.000 0.333 657 H C 0.572 175.905 175.328 0.008 0.000 1.114 657 H CA 1.503 57.556 56.048 0.008 0.000 1.310 657 H CB 1.320 31.082 29.762 0.000 0.000 1.462 657 H HN 0.885 nan 8.280 nan 0.000 0.516 658 G N 4.383 113.248 108.800 0.109 0.000 2.234 658 G HA2 -0.283 3.678 3.960 0.001 0.000 0.260 658 G HA3 -0.283 3.678 3.960 0.001 0.000 0.260 658 G C 0.179 175.108 174.900 0.048 0.000 0.987 658 G CA 0.449 45.623 45.100 0.124 0.000 0.625 658 G HN 0.646 nan 8.290 nan 0.000 0.532 659 D N 0.586 121.002 120.400 0.027 0.000 2.449 659 D HA 0.437 5.078 4.640 0.001 0.000 0.236 659 D C 0.681 176.985 176.300 0.007 0.000 1.149 659 D CA 0.978 54.988 54.000 0.016 0.000 0.878 659 D CB 1.071 41.878 40.800 0.012 0.000 1.198 659 D HN 0.256 nan 8.370 nan 0.000 0.446 660 S N 0.915 116.621 115.700 0.010 0.000 2.489 660 S HA 0.506 4.976 4.470 0.001 0.000 0.277 660 S C -0.495 174.107 174.600 0.003 0.000 1.230 660 S CA -0.800 57.406 58.200 0.009 0.000 1.053 660 S CB 0.095 63.301 63.200 0.010 0.000 0.955 660 S HN 0.311 nan 8.310 nan 0.000 0.488 661 V N 3.751 123.666 119.914 0.002 0.000 2.914 661 V HA 0.656 4.777 4.120 0.001 0.000 0.314 661 V C -0.600 175.491 176.094 -0.004 0.000 1.084 661 V CA -1.090 61.209 62.300 -0.001 0.000 0.963 661 V CB 1.726 33.548 31.823 -0.001 0.000 1.025 661 V HN 0.742 nan 8.190 nan 0.000 0.432 662 I N 3.970 124.536 120.570 -0.007 0.000 2.291 662 I HA 0.278 4.449 4.170 0.001 0.000 0.292 662 I C 0.083 176.193 176.117 -0.011 0.000 1.064 662 I CA -0.241 61.053 61.300 -0.011 0.000 1.269 662 I CB 1.186 39.179 38.000 -0.012 0.000 1.418 662 I HN 0.475 nan 8.210 nan 0.000 0.485 663 V N 6.973 126.878 119.914 -0.016 0.000 2.455 663 V HA 0.184 4.304 4.120 0.001 0.000 0.273 663 V C 0.488 176.567 176.094 -0.025 0.000 1.045 663 V CA -0.256 62.031 62.300 -0.022 0.000 0.976 663 V CB 0.919 32.719 31.823 -0.038 0.000 0.993 663 V HN 0.711 nan 8.190 nan 0.000 0.475 664 E N 3.220 123.421 120.200 0.002 0.000 2.238 664 E HA 0.702 5.053 4.350 0.001 0.000 0.267 664 E C -0.517 176.127 176.600 0.074 0.000 0.887 664 E CA -0.491 55.928 56.400 0.031 0.000 0.769 664 E CB 2.286 32.023 29.700 0.060 0.000 1.187 664 E HN 0.847 nan 8.360 nan 0.000 0.416 665 T N 0.004 114.555 114.554 -0.004 0.000 2.864 665 T HA 0.379 4.730 4.350 0.001 0.000 0.289 665 T C 0.862 175.449 174.700 -0.189 0.000 1.082 665 T CA -0.772 61.213 62.100 -0.191 0.000 1.009 665 T CB 1.294 69.970 68.868 -0.319 0.000 1.234 665 T HN 0.509 nan 8.240 nan 0.000 0.526 666 R N -0.236 119.972 120.500 -0.487 0.000 2.261 666 R HA -0.041 4.300 4.340 0.001 0.000 0.236 666 R C 2.030 178.260 176.300 -0.117 0.000 1.141 666 R CA 1.375 57.327 56.100 -0.246 0.000 1.001 666 R CB -0.180 29.930 30.300 -0.317 0.000 0.866 666 R HN 0.562 nan 8.270 nan 0.000 0.468 667 R N -1.250 119.168 120.500 -0.137 0.000 2.279 667 R HA 0.171 4.512 4.340 0.001 0.000 0.195 667 R C 0.154 176.409 176.300 -0.075 0.000 0.905 667 R CA 0.147 56.187 56.100 -0.100 0.000 1.044 667 R CB 0.661 30.890 30.300 -0.117 0.000 1.056 667 R HN 0.029 nan 8.270 nan 0.000 0.535 668 D N -1.671 118.684 120.400 -0.074 0.000 2.792 668 D HA 0.467 5.108 4.640 0.001 0.000 0.335 668 D C -1.824 174.449 176.300 -0.045 0.000 1.353 668 D CA -0.415 53.552 54.000 -0.055 0.000 0.839 668 D CB 1.923 42.684 40.800 -0.066 0.000 1.396 668 D HN -0.019 nan 8.370 nan 0.000 0.479 669 A N 0.911 123.709 122.820 -0.037 0.000 2.437 669 A HA 0.680 5.000 4.320 0.001 0.000 0.293 669 A C -1.381 176.184 177.584 -0.032 0.000 1.038 669 A CA -0.481 51.539 52.037 -0.028 0.000 0.708 669 A CB 1.348 20.339 19.000 -0.014 0.000 1.251 669 A HN 0.404 nan 8.150 nan 0.000 0.409 670 M N 2.348 121.926 119.600 -0.035 0.000 2.224 670 M HA 0.375 4.856 4.480 0.001 0.000 0.281 670 M C -0.683 175.600 176.300 -0.028 0.000 1.025 670 M CA -0.264 55.015 55.300 -0.035 0.000 0.954 670 M CB 1.685 34.257 32.600 -0.046 0.000 1.639 670 M HN 0.876 nan 8.290 nan 0.000 0.461 671 E N 4.029 124.216 120.200 -0.022 0.000 2.376 671 E HA 0.402 4.752 4.350 0.001 0.000 0.266 671 E C -1.735 174.856 176.600 -0.015 0.000 1.009 671 E CA 0.303 56.694 56.400 -0.015 0.000 0.902 671 E CB 0.673 30.367 29.700 -0.010 0.000 0.972 671 E HN 0.614 nan 8.360 nan 0.000 0.439 672 L N 6.477 127.697 121.223 -0.006 0.000 2.482 672 L HA 0.417 4.758 4.340 0.001 0.000 0.263 672 L C -2.389 174.498 176.870 0.027 0.000 0.957 672 L CA -2.314 52.529 54.840 0.005 0.000 0.836 672 L CB 2.423 44.478 42.059 -0.006 0.000 1.324 672 L HN 0.548 nan 8.230 nan 0.000 0.406 673 P HA 0.161 nan 4.420 nan 0.000 0.276 673 P C -0.771 176.559 177.300 0.051 0.000 1.235 673 P CA -0.263 62.867 63.100 0.050 0.000 0.772 673 P CB 1.301 33.043 31.700 0.069 0.000 0.871 674 A N 4.504 127.317 122.820 -0.013 0.000 2.409 674 A HA 0.297 4.618 4.320 0.001 0.000 0.262 674 A C 0.404 177.846 177.584 -0.236 0.000 1.113 674 A CA -0.378 51.619 52.037 -0.068 0.000 0.790 674 A CB -0.138 18.813 19.000 -0.081 0.000 1.046 674 A HN 0.569 nan 8.150 nan 0.000 0.496 675 R N 2.687 123.080 120.500 -0.177 0.000 2.310 675 R HA 0.532 4.873 4.340 0.001 0.000 0.324 675 R C -1.624 174.529 176.300 -0.245 0.000 0.955 675 R CA -0.307 55.592 56.100 -0.334 0.000 0.830 675 R CB 1.091 31.307 30.300 -0.140 0.000 1.154 675 R HN 0.485 nan 8.270 nan 0.000 0.458 676 V N 3.692 123.379 119.914 -0.378 0.000 2.370 676 V HA 0.537 4.658 4.120 0.001 0.000 0.283 676 V C -0.275 175.900 176.094 0.134 0.000 1.023 676 V CA -0.221 62.058 62.300 -0.036 0.000 0.857 676 V CB 1.451 33.283 31.823 0.015 0.000 0.985 676 V HN 0.890 nan 8.190 nan 0.000 0.443 677 S N 1.848 117.596 115.700 0.080 0.000 2.703 677 S HA 0.298 4.769 4.470 0.001 0.000 0.273 677 S C -0.267 174.367 174.600 0.057 0.000 1.178 677 S CA -0.322 57.921 58.200 0.071 0.000 0.838 677 S CB 1.730 64.965 63.200 0.058 0.000 1.178 677 S HN 0.929 nan 8.310 nan 0.000 0.494 678 D N 0.576 121.005 120.400 0.047 0.000 2.363 678 D HA 0.112 4.753 4.640 0.001 0.000 0.214 678 D C 1.417 177.746 176.300 0.049 0.000 1.093 678 D CA 0.096 54.125 54.000 0.050 0.000 0.837 678 D CB -0.387 40.440 40.800 0.045 0.000 0.948 678 D HN 0.157 nan 8.370 nan 0.000 0.507 679 V N 0.625 120.563 119.914 0.041 0.000 2.231 679 V HA -0.239 3.882 4.120 0.001 0.000 0.248 679 V C 1.440 177.572 176.094 0.062 0.000 1.054 679 V CA 1.023 63.343 62.300 0.034 0.000 1.015 679 V CB -0.515 31.331 31.823 0.037 0.000 0.638 679 V HN 0.384 nan 8.190 nan 0.000 0.444 680 C N 1.715 121.061 119.300 0.076 0.000 2.585 680 C HA 0.410 4.871 4.460 0.001 0.000 0.406 680 C C 1.182 176.224 174.990 0.088 0.000 1.312 680 C CA -0.938 58.134 59.018 0.089 0.000 1.924 680 C CB -0.460 27.338 27.740 0.096 0.000 2.578 680 C HN 0.608 nan 8.230 nan 0.000 0.580 681 R N 4.002 124.557 120.500 0.092 0.000 2.774 681 R HA 0.318 4.659 4.340 0.001 0.000 0.269 681 R C -2.777 173.578 176.300 0.091 0.000 1.068 681 R CA -0.786 55.365 56.100 0.085 0.000 1.180 681 R CB -0.537 29.806 30.300 0.072 0.000 1.077 681 R HN 0.343 nan 8.270 nan 0.000 0.513 682 P HA 0.041 nan 4.420 nan 0.000 0.264 682 P C 0.126 177.497 177.300 0.117 0.000 1.193 682 P CA 1.284 64.436 63.100 0.087 0.000 0.763 682 P CB 0.737 32.481 31.700 0.073 0.000 0.810 683 G N 1.392 110.264 108.800 0.119 0.000 2.149 683 G HA2 -0.149 3.812 3.960 0.001 0.000 0.235 683 G HA3 -0.149 3.812 3.960 0.001 0.000 0.235 683 G C -0.618 174.423 174.900 0.235 0.000 1.018 683 G CA -0.113 45.081 45.100 0.156 0.000 0.728 683 G HN 0.614 nan 8.290 nan 0.000 0.508 684 L N 0.599 121.931 121.223 0.182 0.000 2.493 684 L HA 0.862 5.203 4.340 0.001 0.000 0.265 684 L C -0.286 176.668 176.870 0.140 0.000 0.954 684 L CA -1.243 53.715 54.840 0.196 0.000 0.844 684 L CB 1.655 43.812 42.059 0.163 0.000 1.302 684 L HN 0.564 nan 8.230 nan 0.000 0.405 685 I N 1.731 122.385 120.570 0.139 0.000 2.957 685 I HA 1.051 5.222 4.170 0.001 0.000 0.310 685 I C -0.763 175.433 176.117 0.131 0.000 1.063 685 I CA -0.835 60.533 61.300 0.114 0.000 1.033 685 I CB 2.262 40.312 38.000 0.083 0.000 1.230 685 I HN 0.784 nan 8.210 nan 0.000 0.447 686 A N 3.287 126.183 122.820 0.126 0.000 2.455 686 A HA 0.755 5.076 4.320 0.001 0.000 0.300 686 A C -0.900 176.739 177.584 0.091 0.000 1.040 686 A CA -0.540 51.579 52.037 0.137 0.000 0.697 686 A CB 1.720 20.803 19.000 0.139 0.000 1.265 686 A HN 1.296 nan 8.150 nan 0.000 0.407 687 V N 0.098 120.066 119.914 0.089 0.000 2.680 687 V HA 0.930 5.051 4.120 0.001 0.000 0.309 687 V C -2.917 173.135 176.094 -0.071 0.000 1.052 687 V CA -2.335 59.944 62.300 -0.036 0.000 0.908 687 V CB 1.782 33.620 31.823 0.025 0.000 1.001 687 V HN 0.706 nan 8.190 nan 0.000 0.431 688 P HA 0.457 nan 4.420 nan 0.000 0.281 688 P C -0.330 176.884 177.300 -0.144 0.000 1.264 688 P CA -0.533 62.455 63.100 -0.186 0.000 0.824 688 P CB 1.057 32.612 31.700 -0.241 0.000 1.092 689 F N -1.736 118.126 119.950 -0.146 0.000 2.688 689 F HA 0.327 4.854 4.527 0.001 0.000 0.310 689 F C 1.334 177.116 175.800 -0.031 0.000 1.098 689 F CA -0.672 57.253 58.000 -0.124 0.000 1.228 689 F CB -0.992 37.946 39.000 -0.103 0.000 1.042 689 F HN 0.022 nan 8.300 nan 0.000 0.557 690 F N -0.511 119.254 119.950 -0.308 0.000 2.407 690 F HA 0.157 4.684 4.527 0.001 0.000 0.299 690 F C 0.566 176.321 175.800 -0.075 0.000 1.097 690 F CA -0.220 57.608 58.000 -0.287 0.000 1.422 690 F CB -0.711 38.002 39.000 -0.478 0.000 1.067 690 F HN -0.091 nan 8.300 nan 0.000 0.539 691 D N 3.143 123.187 120.400 -0.593 0.000 2.295 691 D HA 0.151 4.792 4.640 0.001 0.000 0.248 691 D C -1.607 174.621 176.300 -0.121 0.000 1.154 691 D CA -2.614 51.172 54.000 -0.355 0.000 0.857 691 D CB 1.614 42.078 40.800 -0.559 0.000 1.117 691 D HN -0.010 nan 8.370 nan 0.000 0.468 692 P HA -0.019 nan 4.420 nan 0.000 0.236 692 P C 0.546 177.777 177.300 -0.115 0.000 1.177 692 P CA 0.510 63.559 63.100 -0.085 0.000 0.773 692 P CB 0.484 32.227 31.700 0.072 0.000 0.878 693 K N -0.283 120.063 120.400 -0.090 0.000 2.444 693 K HA 0.074 4.394 4.320 0.001 0.000 0.193 693 K C 0.331 176.875 176.600 -0.092 0.000 1.024 693 K CA 0.472 56.716 56.287 -0.073 0.000 1.077 693 K CB 0.243 32.713 32.500 -0.049 0.000 0.833 693 K HN -0.063 nan 8.250 nan 0.000 0.517 694 K N 1.428 121.746 120.400 -0.137 0.000 2.895 694 K HA 0.235 4.556 4.320 0.001 0.000 0.191 694 K C -0.921 175.591 176.600 -0.147 0.000 1.117 694 K CA -0.112 56.095 56.287 -0.133 0.000 0.988 694 K CB 0.828 33.229 32.500 -0.165 0.000 1.181 694 K HN 0.022 nan 8.250 nan 0.000 0.598 695 L N 2.854 123.997 121.223 -0.132 0.000 2.448 695 L HA 0.035 4.376 4.340 0.001 0.000 0.278 695 L C 1.901 178.742 176.870 -0.049 0.000 1.201 695 L CA -0.367 54.385 54.840 -0.146 0.000 1.036 695 L CB -0.050 41.932 42.059 -0.129 0.000 1.325 695 L HN 0.188 nan 8.230 nan 0.000 0.441 696 V N -0.582 119.336 119.914 0.007 0.000 2.490 696 V HA -0.197 3.924 4.120 0.001 0.000 0.250 696 V C 1.802 178.050 176.094 0.257 0.000 1.061 696 V CA 1.385 63.756 62.300 0.118 0.000 1.064 696 V CB -0.514 31.431 31.823 0.204 0.000 0.670 696 V HN 0.744 nan 8.190 nan 0.000 0.461 697 N N 0.998 119.811 118.700 0.187 0.000 2.635 697 N HA -0.074 4.667 4.740 0.001 0.000 0.191 697 N C 1.492 177.047 175.510 0.075 0.000 1.155 697 N CA 1.018 54.190 53.050 0.202 0.000 0.927 697 N CB -0.256 38.258 38.487 0.046 0.000 0.976 697 N HN 0.659 nan 8.380 nan 0.000 0.448 698 K N -0.155 120.250 120.400 0.008 0.000 2.305 698 K HA 0.120 4.441 4.320 0.001 0.000 0.199 698 K C 1.715 178.270 176.600 -0.076 0.000 1.047 698 K CA 0.421 56.669 56.287 -0.065 0.000 0.976 698 K CB 0.281 32.741 32.500 -0.065 0.000 0.765 698 K HN 0.134 nan 8.250 nan 0.000 0.474 699 L N -0.318 120.849 121.223 -0.093 0.000 2.202 699 L HA 0.094 4.435 4.340 0.001 0.000 0.205 699 L C 0.445 177.105 176.870 -0.349 0.000 1.083 699 L CA 0.062 54.746 54.840 -0.259 0.000 0.790 699 L CB -0.121 41.700 42.059 -0.397 0.000 0.942 699 L HN -0.036 nan 8.230 nan 0.000 0.452 700 F N 0.643 120.547 119.950 -0.077 0.000 2.471 700 F HA 0.145 4.673 4.527 0.001 0.000 0.353 700 F C 0.559 176.289 175.800 -0.116 0.000 1.113 700 F CA -0.512 57.442 58.000 -0.078 0.000 1.262 700 F CB 0.331 39.314 39.000 -0.029 0.000 1.146 700 F HN -0.172 nan 8.300 nan 0.000 0.578 701 L N 1.952 123.192 121.223 0.029 0.000 2.482 701 L HA 0.175 4.516 4.340 0.001 0.000 0.242 701 L C 0.765 177.591 176.870 -0.075 0.000 1.210 701 L CA 0.556 55.370 54.840 -0.044 0.000 0.819 701 L CB 0.434 42.452 42.059 -0.067 0.000 1.203 701 L HN 0.657 nan 8.230 nan 0.000 0.495 702 D N -0.321 120.013 120.400 -0.109 0.000 2.514 702 D HA 0.280 4.921 4.640 0.001 0.000 0.225 702 D C 0.027 176.243 176.300 -0.141 0.000 1.159 702 D CA 0.328 54.239 54.000 -0.148 0.000 0.823 702 D CB 0.458 41.191 40.800 -0.111 0.000 1.097 702 D HN 0.668 nan 8.370 nan 0.000 0.519 703 A N 0.458 123.210 122.820 -0.114 0.000 2.520 703 A HA 0.457 4.778 4.320 0.001 0.000 0.235 703 A C 0.629 178.140 177.584 -0.121 0.000 1.065 703 A CA 0.527 52.507 52.037 -0.096 0.000 0.764 703 A CB 0.017 18.972 19.000 -0.075 0.000 1.002 703 A HN 0.259 nan 8.150 nan 0.000 0.502 704 T N -0.468 114.021 114.554 -0.108 0.000 2.906 704 T HA 0.470 4.821 4.350 0.001 0.000 0.295 704 T C -0.587 174.028 174.700 -0.141 0.000 1.061 704 T CA -0.751 61.271 62.100 -0.130 0.000 1.000 704 T CB 1.441 70.234 68.868 -0.125 0.000 1.103 704 T HN 0.637 nan 8.240 nan 0.000 0.486 705 D N 2.078 122.382 120.400 -0.159 0.000 2.487 705 D HA 0.107 4.748 4.640 0.001 0.000 0.243 705 D C -1.451 174.723 176.300 -0.209 0.000 1.154 705 D CA -1.506 52.377 54.000 -0.195 0.000 0.876 705 D CB 1.414 42.100 40.800 -0.190 0.000 1.161 705 D HN 0.210 nan 8.370 nan 0.000 0.478 706 P HA -0.087 nan 4.420 nan 0.000 0.225 706 P C 1.223 178.408 177.300 -0.191 0.000 1.148 706 P CA 0.357 63.349 63.100 -0.180 0.000 0.779 706 P CB 0.468 32.075 31.700 -0.156 0.000 0.780 707 V N -0.305 119.478 119.914 -0.219 0.000 2.490 707 V HA -0.085 4.036 4.120 0.001 0.000 0.238 707 V C 2.381 178.356 176.094 -0.197 0.000 1.056 707 V CA 2.100 64.286 62.300 -0.189 0.000 1.075 707 V CB -1.194 30.519 31.823 -0.184 0.000 0.746 707 V HN 0.193 nan 8.190 nan 0.000 0.479 708 S N -0.825 114.768 115.700 -0.177 0.000 2.496 708 S HA -0.058 4.413 4.470 0.001 0.000 0.224 708 S C 1.197 175.686 174.600 -0.185 0.000 0.996 708 S CA 0.050 58.166 58.200 -0.139 0.000 0.927 708 S CB -0.035 63.130 63.200 -0.058 0.000 0.774 708 S HN 0.426 nan 8.310 nan 0.000 0.524 709 R N 0.708 121.060 120.500 -0.247 0.000 3.875 709 R HA -0.136 4.204 4.340 0.001 0.000 0.321 709 R C -0.276 175.927 176.300 -0.161 0.000 1.196 709 R CA 1.047 56.956 56.100 -0.318 0.000 0.868 709 R CB -2.638 27.234 30.300 -0.714 0.000 1.333 709 R HN 0.848 nan 8.270 nan 0.000 0.522 710 E N 1.850 121.986 120.200 -0.106 0.000 2.338 710 E HA 0.216 4.567 4.350 0.001 0.000 0.272 710 E C -2.170 174.354 176.600 -0.127 0.000 1.029 710 E CA -1.843 54.519 56.400 -0.064 0.000 0.872 710 E CB 0.816 30.508 29.700 -0.014 0.000 1.015 710 E HN -0.058 nan 8.360 nan 0.000 0.417 711 P HA 0.060 nan 4.420 nan 0.000 0.278 711 P C -1.082 176.018 177.300 -0.333 0.000 1.238 711 P CA -0.121 62.753 63.100 -0.377 0.000 0.794 711 P CB 0.644 31.899 31.700 -0.741 0.000 0.955 712 E N 1.666 121.722 120.200 -0.240 0.000 2.222 712 E HA 0.006 4.357 4.350 0.001 0.000 0.312 712 E C -0.085 176.462 176.600 -0.089 0.000 1.263 712 E CA 0.036 56.367 56.400 -0.116 0.000 1.356 712 E CB -0.801 28.862 29.700 -0.061 0.000 1.180 712 E HN 0.398 nan 8.360 nan 0.000 0.494 713 Y N 0.989 121.213 120.300 -0.126 0.000 2.373 713 Y HA -0.101 4.450 4.550 0.001 0.000 0.293 713 Y C 1.944 177.714 175.900 -0.217 0.000 1.129 713 Y CA 0.384 58.319 58.100 -0.275 0.000 1.226 713 Y CB 0.213 38.407 38.460 -0.443 0.000 1.000 713 Y HN 0.212 nan 8.280 nan 0.000 0.549 714 K N 0.547 120.992 120.400 0.075 0.000 2.362 714 K HA 0.075 4.396 4.320 0.001 0.000 0.200 714 K C 0.039 176.724 176.600 0.141 0.000 1.046 714 K CA 0.844 57.176 56.287 0.075 0.000 0.952 714 K CB -0.081 32.455 32.500 0.061 0.000 0.753 714 K HN 0.337 nan 8.250 nan 0.000 0.466 715 I N 0.034 120.708 120.570 0.172 0.000 2.607 715 I HA 0.207 4.378 4.170 0.001 0.000 0.290 715 I C -0.327 175.918 176.117 0.213 0.000 1.129 715 I CA -1.032 60.394 61.300 0.211 0.000 1.042 715 I CB 2.156 40.253 38.000 0.162 0.000 1.242 715 I HN -0.034 nan 8.210 nan 0.000 0.421 716 C N 2.738 122.155 119.300 0.195 0.000 3.314 716 C HA 0.936 5.397 4.460 0.001 0.000 0.344 716 C C -0.540 174.440 174.990 -0.016 0.000 1.461 716 C CA -0.797 58.251 59.018 0.050 0.000 1.249 716 C CB 1.249 28.970 27.740 -0.031 0.000 1.632 716 C HN 0.950 nan 8.230 nan 0.000 0.452 717 A N 0.778 123.518 122.820 -0.133 0.000 2.289 717 A HA 0.888 5.209 4.320 0.001 0.000 0.298 717 A C 0.140 177.615 177.584 -0.182 0.000 1.208 717 A CA 0.491 52.433 52.037 -0.158 0.000 0.845 717 A CB 0.190 19.086 19.000 -0.172 0.000 1.125 717 A HN 2.432 nan 8.150 nan 0.000 0.517 718 A N 2.674 125.471 122.820 -0.039 0.000 2.486 718 A HA 0.975 5.296 4.320 0.001 0.000 0.289 718 A C -0.184 177.495 177.584 0.158 0.000 1.176 718 A CA -0.770 51.289 52.037 0.037 0.000 0.757 718 A CB 1.297 20.267 19.000 -0.050 0.000 1.337 718 A HN 1.300 nan 8.150 nan 0.000 0.423 719 R N -0.594 120.000 120.500 0.156 0.000 2.774 719 R HA 0.793 5.134 4.340 0.001 0.000 0.272 719 R C -2.130 174.183 176.300 0.021 0.000 1.000 719 R CA -0.630 55.506 56.100 0.060 0.000 0.906 719 R CB 1.527 31.815 30.300 -0.020 0.000 1.227 719 R HN 0.480 nan 8.270 nan 0.000 0.468 720 V N 1.262 121.176 119.914 -0.001 0.000 2.823 720 V HA 0.701 4.821 4.120 0.001 0.000 0.312 720 V C -0.551 175.535 176.094 -0.014 0.000 1.072 720 V CA -0.913 61.386 62.300 -0.003 0.000 0.937 720 V CB 1.974 33.800 31.823 0.005 0.000 1.013 720 V HN 0.834 nan 8.190 nan 0.000 0.430 721 R N 2.173 122.666 120.500 -0.013 0.000 2.566 721 R HA 0.397 4.738 4.340 0.001 0.000 0.271 721 R C -1.035 175.258 176.300 -0.011 0.000 1.071 721 R CA -0.848 55.242 56.100 -0.017 0.000 0.915 721 R CB 1.801 32.087 30.300 -0.024 0.000 1.228 721 R HN 0.728 nan 8.270 nan 0.000 0.449 722 K N 2.845 123.239 120.400 -0.009 0.000 2.419 722 K HA 0.177 4.498 4.320 0.001 0.000 0.282 722 K C 0.238 176.834 176.600 -0.006 0.000 1.056 722 K CA 0.353 56.636 56.287 -0.006 0.000 1.035 722 K CB 0.735 33.232 32.500 -0.004 0.000 0.921 722 K HN 0.671 nan 8.250 nan 0.000 0.472 723 A N 0.000 122.817 122.820 -0.004 0.000 2.254 723 A HA 0.000 4.321 4.320 0.001 0.000 0.244 723 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 723 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 723 A HN 0.000 nan 8.150 nan 0.000 0.486