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 3muu_1_F DATA FIRST_RESID 6 DATA SEQUENCE FTLTSPYLGT cSYcHHTVPc FSPVKIEQVW DEADDNTIRI QTSAQFGYDQ DATA SEQUENCE SGAASANKYR YXSLKQDHTV KEGTXDDIKI STSGPcRRLS YKGYFLLAKc DATA SEQUENCE PPGDSVTVSI VSSNSATScT LARKIKPKFV GREKYDLPPV HGKKIPcTVY DATA SEQUENCE DRLXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXPFKLIPST cXVPVAHAPN VIHGFKHISL QLDTDHLTLL TTRRLGANPE DATA SEQUENCE PTTEWIVGKT VRNFTVDRDG LEYIWGNHEP VRVYAQXXXX XXXXXXXXXX DATA SEQUENCE XXXXGYEHAT TVPNVPQIPY KALVERAGYA PLNLEITVXS SEVLPSTNQE DATA SEQUENCE YITcKFTTVV PSPKIKccGS LEcQPAAHAG YTcKVFGGVY PFXWGGAQcF DATA SEQUENCE cDSENSQXSE AYVELSADcA SDHAQAIKVH TAAXKVGLRI VYGNTTSFLD DATA SEQUENCE VYVNGVTPGT SKDLKVIAGP ISASFTPFDH KVVIHRGLVY NYDFPEYGAX DATA SEQUENCE KPGAFGDIQA TSLTSKDLIA STDIRLLKPS AKNVHVPYTQ ASSGFEXWKN DATA SEQUENCE NSGRPLQETA PFGcKIAVNP LRAVDcSYGN IPISIDIPNA AFIRTSDAPL DATA SEQUENCE VSTVKcEVSE cTYSADFGGX ATLQYVSDRE GQcPVHSHSS TATLQESTVH DATA SEQUENCE VLEKGAVTVH FSTASPQANF IVSLcGKKTT cNAEc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.759 175.800 -0.068 0.000 0.967 6 F CA 0.000 58.025 58.000 0.041 0.000 1.383 6 F CB 0.000 39.012 39.000 0.021 0.000 1.145 7 T N -0.025 114.445 114.554 -0.140 0.000 2.943 7 T HA 0.624 4.974 4.350 0.000 0.000 0.284 7 T C 0.098 174.743 174.700 -0.091 0.000 1.015 7 T CA -0.341 61.594 62.100 -0.275 0.000 1.042 7 T CB 1.785 70.321 68.868 -0.554 0.000 1.055 7 T HN 1.158 nan 8.240 nan 0.000 0.500 8 L N -1.143 120.029 121.223 -0.086 0.000 2.858 8 L HA 0.531 4.872 4.340 0.000 0.000 0.251 8 L C 0.606 177.467 176.870 -0.015 0.000 1.149 8 L CA -0.467 54.362 54.840 -0.019 0.000 0.955 8 L CB -0.175 41.871 42.059 -0.021 0.000 1.289 8 L HN 0.783 nan 8.230 nan 0.000 0.542 9 T N -0.053 114.491 114.554 -0.016 0.000 2.903 9 T HA 0.774 5.124 4.350 0.000 0.000 0.299 9 T C -0.574 174.154 174.700 0.047 0.000 1.093 9 T CA 0.092 62.214 62.100 0.037 0.000 1.002 9 T CB 1.592 70.513 68.868 0.089 0.000 1.127 9 T HN 0.374 nan 8.240 nan 0.000 0.488 10 S N 3.140 118.891 115.700 0.085 0.000 2.638 10 S HA 0.824 5.294 4.470 0.000 0.000 0.302 10 S C -3.068 171.641 174.600 0.182 0.000 1.096 10 S CA -1.634 56.600 58.200 0.057 0.000 0.953 10 S CB 1.180 64.381 63.200 0.001 0.000 1.107 10 S HN 0.543 nan 8.310 nan 0.000 0.503 11 P HA 0.244 nan 4.420 nan 0.000 0.268 11 P C -0.910 176.537 177.300 0.245 0.000 1.204 11 P CA -0.085 63.113 63.100 0.163 0.000 0.768 11 P CB -0.125 31.587 31.700 0.019 0.000 0.842 12 Y N 1.009 121.374 120.300 0.109 0.000 2.699 12 Y HA 0.779 5.329 4.550 0.000 0.000 0.326 12 Y C -0.942 174.970 175.900 0.019 0.000 1.141 12 Y CA -1.555 56.576 58.100 0.053 0.000 1.246 12 Y CB 0.857 39.337 38.460 0.033 0.000 1.426 12 Y HN 0.040 nan 8.280 nan 0.000 0.559 13 L N 1.134 122.324 121.223 -0.055 0.000 2.346 13 L HA 0.810 5.150 4.340 0.000 0.000 0.274 13 L C -0.101 176.513 176.870 -0.427 0.000 1.007 13 L CA -0.899 53.776 54.840 -0.274 0.000 0.818 13 L CB 2.076 44.047 42.059 -0.146 0.000 1.284 13 L HN 0.986 nan 8.230 nan 0.000 0.424 14 G N -0.357 108.106 108.800 -0.560 0.000 2.667 14 G HA2 0.517 4.477 3.960 0.000 0.000 0.298 14 G HA3 0.517 4.477 3.960 0.000 0.000 0.298 14 G C -0.674 173.950 174.900 -0.461 0.000 1.377 14 G CA -0.521 44.310 45.100 -0.448 0.000 0.964 14 G HN 0.482 nan 8.290 nan 0.000 0.493 15 T N -1.403 112.972 114.554 -0.298 0.000 2.867 15 T HA 0.369 4.719 4.350 0.000 0.000 0.297 15 T C 0.278 174.962 174.700 -0.027 0.000 0.989 15 T CA -0.427 61.638 62.100 -0.058 0.000 1.159 15 T CB 0.741 69.679 68.868 0.116 0.000 0.928 15 T HN 0.668 nan 8.240 nan 0.000 0.538 16 c N 2.952 121.553 118.600 0.002 0.000 2.595 16 c HA 0.710 5.280 4.570 0.000 0.000 0.338 16 c C 1.643 175.758 174.090 0.041 0.000 1.219 16 c CA -0.086 56.253 56.329 0.016 0.000 1.811 16 c CB 1.405 43.925 42.510 0.017 0.000 2.313 16 c HN 1.085 nan 8.230 nan 0.000 0.499 17 S N 0.289 116.021 115.700 0.054 0.000 2.511 17 S HA 0.206 4.676 4.470 0.000 0.000 0.214 17 S C -0.307 174.371 174.600 0.129 0.000 0.997 17 S CA 0.065 58.304 58.200 0.065 0.000 0.908 17 S CB -0.017 63.210 63.200 0.046 0.000 0.803 17 S HN 0.823 nan 8.310 nan 0.000 0.504 18 Y N 0.530 120.828 120.300 -0.004 0.000 2.330 18 Y HA 0.456 5.006 4.550 0.000 0.000 0.324 18 Y C -1.678 174.217 175.900 -0.008 0.000 1.093 18 Y CA -1.121 56.978 58.100 -0.002 0.000 1.103 18 Y CB 1.247 39.695 38.460 -0.021 0.000 1.183 18 Y HN 0.120 nan 8.280 nan 0.000 0.433 19 c N 7.048 125.628 118.600 -0.034 0.000 3.328 19 c HA 0.336 4.906 4.570 0.000 0.000 0.230 19 c C 0.574 174.668 174.090 0.007 0.000 1.232 19 c CA -0.469 55.892 56.329 0.054 0.000 1.431 19 c CB -0.987 41.574 42.510 0.085 0.000 1.818 19 c HN 1.178 nan 8.230 nan 0.000 0.484 20 H N 0.189 119.213 119.070 -0.075 0.000 4.807 20 H HA -0.161 4.396 4.556 0.000 0.000 0.103 20 H C 0.341 175.316 175.328 -0.589 0.000 0.622 20 H CA 2.338 58.230 56.048 -0.261 0.000 1.203 20 H CB -0.855 28.695 29.762 -0.353 0.000 0.637 20 H HN 0.759 nan 8.280 nan 0.000 0.601 21 H N 0.018 119.006 119.070 -0.136 0.000 2.529 21 H HA 0.202 4.758 4.556 0.000 0.000 0.348 21 H C 1.548 176.529 175.328 -0.578 0.000 1.079 21 H CA 0.442 56.341 56.048 -0.248 0.000 1.198 21 H CB 1.486 31.175 29.762 -0.122 0.000 1.521 21 H HN 0.226 nan 8.280 nan 0.000 0.514 22 T N -0.437 113.783 114.554 -0.558 0.000 2.946 22 T HA -0.086 4.264 4.350 0.000 0.000 0.270 22 T C 1.022 175.529 174.700 -0.323 0.000 1.129 22 T CA 0.371 62.054 62.100 -0.696 0.000 1.103 22 T CB -0.610 68.144 68.868 -0.190 0.000 0.839 22 T HN 0.198 nan 8.240 nan 0.000 0.544 23 V N 3.371 123.178 119.914 -0.179 0.000 2.555 23 V HA 0.258 4.378 4.120 0.000 0.000 0.286 23 V C -2.036 174.029 176.094 -0.047 0.000 1.044 23 V CA -2.059 60.195 62.300 -0.076 0.000 1.026 23 V CB 0.549 32.344 31.823 -0.047 0.000 0.981 23 V HN 0.234 nan 8.190 nan 0.000 0.480 24 P HA 0.175 nan 4.420 nan 0.000 0.265 24 P C -0.208 177.123 177.300 0.052 0.000 1.193 24 P CA 0.024 63.139 63.100 0.025 0.000 0.765 24 P CB 0.369 32.082 31.700 0.021 0.000 0.823 25 c N 1.930 120.580 118.600 0.083 0.000 3.327 25 c HA 0.706 5.276 4.570 0.000 0.000 0.366 25 c C -0.503 173.713 174.090 0.211 0.000 2.438 25 c CA -0.746 55.663 56.329 0.132 0.000 1.438 25 c CB 0.519 43.102 42.510 0.121 0.000 2.876 25 c HN 0.418 nan 8.230 nan 0.000 0.483 26 F N 2.405 122.378 119.950 0.038 0.000 2.566 26 F HA 0.488 5.015 4.527 0.000 0.000 0.352 26 F C 0.434 176.261 175.800 0.045 0.000 1.534 26 F CA 0.073 58.098 58.000 0.041 0.000 1.097 26 F CB 0.251 39.278 39.000 0.043 0.000 1.488 26 F HN 0.943 nan 8.300 nan 0.000 0.562 27 S N 1.466 117.152 115.700 -0.023 0.000 2.722 27 S HA 0.758 5.228 4.470 0.000 0.000 0.292 27 S C -2.764 171.779 174.600 -0.095 0.000 1.135 27 S CA -1.495 56.705 58.200 0.000 0.000 1.003 27 S CB 1.936 65.165 63.200 0.049 0.000 1.067 27 S HN 0.166 nan 8.310 nan 0.000 0.546 28 P HA 0.192 nan 4.420 nan 0.000 0.293 28 P C 0.220 177.467 177.300 -0.088 0.000 1.298 28 P CA -0.170 62.890 63.100 -0.066 0.000 0.757 28 P CB -0.059 31.704 31.700 0.106 0.000 1.262 29 V N -4.295 115.554 119.914 -0.108 0.000 4.112 29 V HA -0.213 3.907 4.120 0.000 0.000 0.233 29 V C 0.930 176.973 176.094 -0.085 0.000 0.458 29 V CA 1.204 63.459 62.300 -0.076 0.000 0.909 29 V CB -2.146 29.651 31.823 -0.045 0.000 0.963 29 V HN 0.730 nan 8.190 nan 0.000 1.260 30 K N 1.506 121.812 120.400 -0.157 0.000 2.416 30 K HA 0.280 4.600 4.320 0.000 0.000 0.283 30 K C 0.001 176.555 176.600 -0.077 0.000 1.037 30 K CA -0.206 56.002 56.287 -0.131 0.000 0.995 30 K CB 0.503 32.880 32.500 -0.205 0.000 0.938 30 K HN 0.612 nan 8.250 nan 0.000 0.475 31 I N 5.504 126.053 120.570 -0.036 0.000 2.337 31 I HA 0.021 4.191 4.170 0.000 0.000 0.291 31 I C 1.458 177.572 176.117 -0.004 0.000 1.046 31 I CA -0.121 61.172 61.300 -0.012 0.000 1.324 31 I CB 0.927 38.920 38.000 -0.013 0.000 1.409 31 I HN 0.596 nan 8.210 nan 0.000 0.494 32 E N 4.731 124.938 120.200 0.012 0.000 2.132 32 E HA 0.130 4.480 4.350 0.000 0.000 0.193 32 E C 0.312 176.897 176.600 -0.025 0.000 0.951 32 E CA 0.635 57.050 56.400 0.025 0.000 0.843 32 E CB 0.601 30.342 29.700 0.068 0.000 0.807 32 E HN 0.661 nan 8.360 nan 0.000 0.467 33 Q N -0.291 119.470 119.800 -0.065 0.000 2.626 33 Q HA 0.565 4.905 4.340 0.000 0.000 0.300 33 Q C -1.444 174.372 176.000 -0.307 0.000 0.988 33 Q CA -0.648 54.986 55.803 -0.280 0.000 0.761 33 Q CB 3.244 31.672 28.738 -0.517 0.000 1.494 33 Q HN -0.119 nan 8.270 nan 0.000 0.439 34 V N 0.236 119.804 119.914 -0.577 0.000 3.048 34 V HA 0.475 4.595 4.120 0.000 0.000 0.303 34 V C -1.734 174.103 176.094 -0.430 0.000 1.214 34 V CA -0.695 61.445 62.300 -0.266 0.000 0.984 34 V CB 2.497 34.262 31.823 -0.096 0.000 1.054 34 V HN 0.642 nan 8.190 nan 0.000 0.430 35 W N 2.131 123.465 121.300 0.057 0.000 2.600 35 W HA 0.500 5.160 4.660 0.000 0.000 0.325 35 W C -0.840 175.753 176.519 0.123 0.000 1.034 35 W CA -0.441 56.964 57.345 0.099 0.000 1.226 35 W CB 2.059 31.604 29.460 0.141 0.000 1.379 35 W HN 0.595 nan 8.180 nan 0.000 0.466 36 D N 2.113 122.691 120.400 0.296 0.000 2.513 36 D HA 0.210 4.850 4.640 0.000 0.000 0.295 36 D C 0.312 176.741 176.300 0.216 0.000 1.202 36 D CA 0.156 54.288 54.000 0.221 0.000 0.849 36 D CB 0.503 41.358 40.800 0.091 0.000 1.116 36 D HN 0.401 nan 8.370 nan 0.000 0.502 37 E N -0.061 120.322 120.200 0.304 0.000 2.568 37 E HA 0.301 4.651 4.350 0.000 0.000 0.220 37 E C 0.558 177.194 176.600 0.061 0.000 0.869 37 E CA -0.378 56.134 56.400 0.187 0.000 1.268 37 E CB 0.879 30.730 29.700 0.252 0.000 1.252 37 E HN 0.311 nan 8.360 nan 0.000 0.606 38 A N 1.597 124.426 122.820 0.016 0.000 2.466 38 A HA -0.008 4.312 4.320 0.000 0.000 0.238 38 A C 0.457 178.025 177.584 -0.026 0.000 1.074 38 A CA 0.084 52.045 52.037 -0.128 0.000 0.774 38 A CB 0.218 19.135 19.000 -0.140 0.000 1.015 38 A HN -0.021 nan 8.150 nan 0.000 0.498 39 D N 0.027 120.406 120.400 -0.035 0.000 2.194 39 D HA -0.030 4.610 4.640 0.000 0.000 0.204 39 D C 0.506 176.821 176.300 0.025 0.000 0.964 39 D CA 0.904 54.900 54.000 -0.007 0.000 0.846 39 D CB -0.197 40.606 40.800 0.005 0.000 0.962 39 D HN 0.686 nan 8.370 nan 0.000 0.490 40 D N 0.372 120.789 120.400 0.029 0.000 2.362 40 D HA -0.088 4.552 4.640 0.000 0.000 0.238 40 D C 0.408 176.750 176.300 0.071 0.000 1.212 40 D CA -0.042 53.997 54.000 0.065 0.000 0.902 40 D CB 0.471 41.303 40.800 0.054 0.000 1.180 40 D HN -0.257 nan 8.370 nan 0.000 0.445 41 N N 0.526 119.272 118.700 0.077 0.000 2.509 41 N HA 0.045 4.785 4.740 0.000 0.000 0.239 41 N C -0.928 174.626 175.510 0.074 0.000 1.215 41 N CA -0.177 52.909 53.050 0.060 0.000 0.882 41 N CB -0.288 38.224 38.487 0.042 0.000 1.189 41 N HN 0.353 nan 8.380 nan 0.000 0.490 42 T N -2.191 112.437 114.554 0.123 0.000 2.943 42 T HA 0.671 5.021 4.350 0.000 0.000 0.284 42 T C 0.056 174.864 174.700 0.181 0.000 1.015 42 T CA -0.731 61.454 62.100 0.141 0.000 1.042 42 T CB 1.728 70.709 68.868 0.188 0.000 1.055 42 T HN -0.060 nan 8.240 nan 0.000 0.500 43 I N 0.510 121.107 120.570 0.044 0.000 2.647 43 I HA 0.515 4.685 4.170 0.000 0.000 0.295 43 I C -0.106 175.911 176.117 -0.167 0.000 1.078 43 I CA -0.859 60.437 61.300 -0.007 0.000 1.048 43 I CB 2.412 40.422 38.000 0.016 0.000 1.239 43 I HN 0.625 nan 8.210 nan 0.000 0.421 44 R N 6.102 126.504 120.500 -0.163 0.000 2.343 44 R HA 0.753 5.093 4.340 0.000 0.000 0.320 44 R C -1.532 174.960 176.300 0.320 0.000 0.956 44 R CA -0.426 55.653 56.100 -0.034 0.000 0.836 44 R CB 0.919 31.086 30.300 -0.223 0.000 1.151 44 R HN 0.629 nan 8.270 nan 0.000 0.450 45 I N 3.387 124.147 120.570 0.316 0.000 2.441 45 I HA 0.228 4.398 4.170 0.000 0.000 0.295 45 I C -0.392 175.949 176.117 0.374 0.000 0.994 45 I CA -0.710 60.771 61.300 0.301 0.000 1.144 45 I CB 2.122 40.221 38.000 0.165 0.000 1.314 45 I HN 0.547 nan 8.210 nan 0.000 0.445 46 Q N 5.856 125.824 119.800 0.279 0.000 2.425 46 Q HA 0.363 4.703 4.340 0.000 0.000 0.254 46 Q C -0.548 175.456 176.000 0.007 0.000 1.032 46 Q CA -0.588 55.234 55.803 0.033 0.000 0.798 46 Q CB 1.232 30.047 28.738 0.128 0.000 1.210 46 Q HN 0.831 nan 8.270 nan 0.000 0.491 47 T N -0.846 113.723 114.554 0.025 0.000 2.893 47 T HA 0.349 4.699 4.350 0.000 0.000 0.279 47 T C 1.003 175.727 174.700 0.040 0.000 0.991 47 T CA -0.004 62.120 62.100 0.040 0.000 0.950 47 T CB 1.266 70.196 68.868 0.102 0.000 1.223 47 T HN 0.479 nan 8.240 nan 0.000 0.585 48 S N -1.087 114.556 115.700 -0.095 0.000 2.524 48 S HA 0.481 4.951 4.470 0.000 0.000 0.215 48 S C 0.791 175.330 174.600 -0.102 0.000 0.986 48 S CA -0.236 57.788 58.200 -0.292 0.000 0.911 48 S CB -0.398 62.220 63.200 -0.971 0.000 0.805 48 S HN 1.087 nan 8.310 nan 0.000 0.501 49 A N 1.297 124.006 122.820 -0.184 0.000 2.303 49 A HA 0.650 4.970 4.320 0.000 0.000 0.317 49 A C -0.197 176.925 177.584 -0.771 0.000 1.149 49 A CA -0.693 51.141 52.037 -0.338 0.000 0.822 49 A CB 0.684 19.512 19.000 -0.286 0.000 1.131 49 A HN 0.503 nan 8.150 nan 0.000 0.493 50 Q N 0.392 119.800 119.800 -0.654 0.000 2.243 50 Q HA 0.560 4.900 4.340 0.000 0.000 0.252 50 Q C -1.525 174.189 176.000 -0.476 0.000 0.909 50 Q CA 0.156 55.564 55.803 -0.659 0.000 0.922 50 Q CB 1.403 29.914 28.738 -0.378 0.000 1.215 50 Q HN 0.657 nan 8.270 nan 0.000 0.427 51 F N -0.998 119.010 119.950 0.097 0.000 2.556 51 F HA 0.550 5.077 4.527 0.000 0.000 0.327 51 F C 1.150 176.840 175.800 -0.184 0.000 1.059 51 F CA -0.475 57.537 58.000 0.021 0.000 0.953 51 F CB 2.007 40.982 39.000 -0.043 0.000 1.227 51 F HN 0.748 nan 8.300 nan 0.000 0.478 52 G N 0.621 109.364 108.800 -0.094 0.000 2.176 52 G HA2 -0.269 3.691 3.960 0.000 0.000 0.253 52 G HA3 -0.269 3.691 3.960 0.000 0.000 0.253 52 G C -0.787 173.677 174.900 -0.727 0.000 0.979 52 G CA -0.247 44.578 45.100 -0.457 0.000 0.641 52 G HN 0.613 nan 8.290 nan 0.000 0.530 53 Y N 0.360 120.710 120.300 0.083 0.000 2.553 53 Y HA 0.557 5.107 4.550 0.000 0.000 0.347 53 Y C 0.722 176.631 175.900 0.015 0.000 1.019 53 Y CA -0.779 57.349 58.100 0.047 0.000 1.032 53 Y CB 1.325 39.802 38.460 0.030 0.000 1.284 53 Y HN 0.119 nan 8.280 nan 0.000 0.466 54 D N -0.264 120.230 120.400 0.156 0.000 2.502 54 D HA -0.027 4.613 4.640 0.000 0.000 0.271 54 D C 1.119 177.443 176.300 0.041 0.000 1.228 54 D CA 0.737 54.772 54.000 0.058 0.000 1.032 54 D CB -0.199 40.624 40.800 0.038 0.000 0.925 54 D HN 0.461 nan 8.370 nan 0.000 0.248 55 Q N 0.005 119.821 119.800 0.027 0.000 2.062 55 Q HA 0.136 4.476 4.340 0.000 0.000 0.196 55 Q C 0.930 176.940 176.000 0.017 0.000 0.967 55 Q CA 0.703 56.512 55.803 0.009 0.000 0.832 55 Q CB -0.039 28.700 28.738 0.001 0.000 0.899 55 Q HN 0.285 nan 8.270 nan 0.000 0.442 56 S N -0.606 115.114 115.700 0.034 0.000 2.738 56 S HA 0.484 4.954 4.470 0.000 0.000 0.284 56 S C 0.390 175.025 174.600 0.059 0.000 1.146 56 S CA -0.463 57.756 58.200 0.031 0.000 0.997 56 S CB 1.257 64.475 63.200 0.030 0.000 1.081 56 S HN 0.359 nan 8.310 nan 0.000 0.553 57 G N 0.382 109.190 108.800 0.014 0.000 3.008 57 G HA2 0.481 4.441 3.960 0.000 0.000 0.272 57 G HA3 0.481 4.441 3.960 0.000 0.000 0.272 57 G C 0.128 175.150 174.900 0.204 0.000 0.764 57 G CA -0.001 45.056 45.100 -0.072 0.000 2.029 57 G HN 0.740 nan 8.290 nan 0.000 0.587 58 A N 1.353 124.393 122.820 0.366 0.000 3.444 58 A HA 0.918 5.238 4.320 0.000 0.000 0.189 58 A C 0.686 178.477 177.584 0.346 0.000 1.542 58 A CA -0.010 52.209 52.037 0.304 0.000 0.867 58 A CB 0.801 19.902 19.000 0.168 0.000 1.712 58 A HN 1.298 nan 8.150 nan 0.000 0.556 59 A N 0.840 123.768 122.820 0.179 0.000 3.165 59 A HA 0.555 4.875 4.320 0.000 0.000 0.331 59 A C -0.028 177.585 177.584 0.048 0.000 1.034 59 A CA 0.129 52.229 52.037 0.106 0.000 0.906 59 A CB -0.718 18.348 19.000 0.109 0.000 1.054 59 A HN 1.196 nan 8.150 nan 0.000 0.484 60 S N 0.551 116.260 115.700 0.014 0.000 2.434 60 S HA 0.503 4.973 4.470 0.000 0.000 0.318 60 S C 1.152 175.746 174.600 -0.010 0.000 1.062 60 S CA -0.006 58.200 58.200 0.009 0.000 1.116 60 S CB 1.347 64.558 63.200 0.019 0.000 0.977 60 S HN 0.999 nan 8.310 nan 0.000 0.480 61 A N 2.933 125.767 122.820 0.022 0.000 1.986 61 A HA -0.149 4.171 4.320 0.000 0.000 0.220 61 A C 1.440 179.078 177.584 0.090 0.000 1.171 61 A CA 1.797 53.868 52.037 0.057 0.000 0.640 61 A CB -0.577 18.460 19.000 0.061 0.000 0.811 61 A HN 0.773 nan 8.150 nan 0.000 0.451 62 N N -0.562 118.171 118.700 0.056 0.000 2.642 62 N HA 0.191 4.931 4.740 0.000 0.000 0.308 62 N C -1.317 174.212 175.510 0.031 0.000 1.914 62 N CA -0.215 52.866 53.050 0.052 0.000 0.893 62 N CB 0.179 38.704 38.487 0.064 0.000 1.322 62 N HN 0.061 nan 8.380 nan 0.000 0.490 63 K N 0.979 121.393 120.400 0.023 0.000 2.527 63 K HA 0.280 4.600 4.320 0.000 0.000 0.260 63 K C -1.391 175.272 176.600 0.105 0.000 0.937 63 K CA -0.588 55.716 56.287 0.029 0.000 0.826 63 K CB 1.769 34.262 32.500 -0.012 0.000 1.359 63 K HN 0.236 nan 8.250 nan 0.000 0.434 64 Y N -0.898 119.431 120.300 0.049 0.000 2.662 64 Y HA 0.765 5.315 4.550 0.000 0.000 0.335 64 Y C -0.401 175.565 175.900 0.111 0.000 1.066 64 Y CA -1.272 56.887 58.100 0.099 0.000 1.116 64 Y CB 1.496 40.078 38.460 0.202 0.000 1.308 64 Y HN 0.593 nan 8.280 nan 0.000 0.502 65 R N 0.592 121.205 120.500 0.188 0.000 2.774 65 R HA 0.736 5.076 4.340 0.000 0.000 0.272 65 R C -2.023 174.473 176.300 0.326 0.000 1.000 65 R CA -0.835 55.373 56.100 0.181 0.000 0.906 65 R CB 2.374 32.713 30.300 0.065 0.000 1.227 65 R HN 0.976 nan 8.270 nan 0.000 0.468 69 L N 1.460 122.740 121.223 0.094 0.000 2.141 69 L HA 0.025 4.365 4.340 0.000 0.000 0.209 69 L C 1.627 178.556 176.870 0.099 0.000 1.094 69 L CA 1.966 56.882 54.840 0.126 0.000 0.763 69 L CB -0.631 41.499 42.059 0.118 0.000 0.908 69 L HN 0.666 nan 8.230 nan 0.000 0.437 70 K N -0.974 119.466 120.400 0.067 0.000 3.383 70 K HA 0.007 4.327 4.320 0.000 0.000 0.164 70 K C 0.780 177.420 176.600 0.065 0.000 1.145 70 K CA 0.178 56.497 56.287 0.053 0.000 1.507 70 K CB 0.325 32.840 32.500 0.026 0.000 2.086 70 K HN 0.029 nan 8.250 nan 0.000 0.502 71 Q N 0.045 119.865 119.800 0.033 0.000 1.820 71 Q HA 0.019 4.359 4.340 0.000 0.000 0.179 71 Q C -0.926 175.044 176.000 -0.051 0.000 0.798 71 Q CA 0.160 55.984 55.803 0.035 0.000 0.887 71 Q CB 0.856 29.614 28.738 0.033 0.000 1.240 71 Q HN 0.501 nan 8.270 nan 0.000 0.394 72 D N -0.094 120.285 120.400 -0.036 0.000 2.379 72 D HA -0.071 4.569 4.640 0.000 0.000 0.243 72 D C -0.036 176.264 176.300 -0.000 0.000 1.088 72 D CA 0.337 54.298 54.000 -0.065 0.000 0.925 72 D CB 0.014 40.798 40.800 -0.025 0.000 0.888 72 D HN 0.192 nan 8.370 nan 0.000 0.529 73 H N -1.644 117.428 119.070 0.003 0.000 3.179 73 H HA -0.153 4.403 4.556 0.000 0.000 0.250 73 H C -0.344 174.967 175.328 -0.030 0.000 1.142 73 H CA 0.905 56.952 56.048 -0.002 0.000 1.165 73 H CB -2.740 27.026 29.762 0.007 0.000 1.253 73 H HN 0.234 nan 8.280 nan 0.000 0.325 74 T N 0.034 114.626 114.554 0.063 0.000 2.754 74 T HA 0.344 4.694 4.350 0.000 0.000 0.282 74 T C 1.061 175.708 174.700 -0.089 0.000 0.923 74 T CA -0.089 62.002 62.100 -0.015 0.000 1.164 74 T CB 1.070 69.916 68.868 -0.036 0.000 0.873 74 T HN 0.128 nan 8.240 nan 0.000 0.537 75 V N 5.213 125.074 119.914 -0.087 0.000 2.096 75 V HA 0.133 4.253 4.120 0.000 0.000 0.259 75 V C 1.103 177.089 176.094 -0.179 0.000 1.420 75 V CA -0.891 61.320 62.300 -0.147 0.000 1.336 75 V CB -1.300 30.476 31.823 -0.078 0.000 1.394 75 V HN 0.822 nan 8.190 nan 0.000 0.494 76 K N 2.114 122.337 120.400 -0.295 0.000 2.180 76 K HA 0.515 4.835 4.320 0.000 0.000 0.251 76 K C -0.091 176.438 176.600 -0.118 0.000 1.014 76 K CA -0.589 55.579 56.287 -0.197 0.000 0.913 76 K CB 1.663 34.071 32.500 -0.154 0.000 1.008 76 K HN 0.559 nan 8.250 nan 0.000 0.490 77 E N 0.012 120.208 120.200 -0.007 0.000 2.336 77 E HA 0.520 4.870 4.350 0.000 0.000 0.267 77 E C -0.996 175.503 176.600 -0.168 0.000 0.906 77 E CA -1.092 55.266 56.400 -0.071 0.000 0.781 77 E CB 2.078 31.719 29.700 -0.099 0.000 1.261 77 E HN 0.800 nan 8.360 nan 0.000 0.436 78 G N 0.287 108.699 108.800 -0.647 0.000 3.022 78 G HA2 0.417 4.377 3.960 0.000 0.000 0.284 78 G HA3 0.417 4.377 3.960 0.000 0.000 0.284 78 G C -0.897 173.721 174.900 -0.470 0.000 1.375 78 G CA -0.251 44.517 45.100 -0.554 0.000 0.902 78 G HN 0.489 nan 8.290 nan 0.000 0.538 82 D N 0.598 121.017 120.400 0.032 0.000 2.388 82 D HA 0.281 4.921 4.640 0.000 0.000 0.221 82 D C 0.135 176.383 176.300 -0.086 0.000 1.133 82 D CA 0.038 54.039 54.000 0.002 0.000 0.831 82 D CB 0.930 41.761 40.800 0.051 0.000 0.962 82 D HN 0.383 nan 8.370 nan 0.000 0.502 83 I N 1.385 121.853 120.570 -0.171 0.000 2.312 83 I HA 0.204 4.374 4.170 0.000 0.000 0.290 83 I C 0.241 176.258 176.117 -0.167 0.000 1.008 83 I CA -0.329 60.819 61.300 -0.254 0.000 1.226 83 I CB 0.966 38.703 38.000 -0.439 0.000 1.371 83 I HN -0.471 nan 8.210 nan 0.000 0.468 84 K N 7.111 127.438 120.400 -0.123 0.000 2.371 84 K HA 0.658 4.978 4.320 0.000 0.000 0.251 84 K C -0.904 175.647 176.600 -0.082 0.000 0.934 84 K CA -0.814 55.422 56.287 -0.085 0.000 0.798 84 K CB 3.141 35.607 32.500 -0.056 0.000 1.204 84 K HN 0.442 nan 8.250 nan 0.000 0.427 85 I N 1.160 121.688 120.570 -0.069 0.000 2.676 85 I HA 0.328 4.498 4.170 0.000 0.000 0.309 85 I C 0.108 176.190 176.117 -0.059 0.000 0.990 85 I CA -0.494 60.768 61.300 -0.063 0.000 1.168 85 I CB 1.916 39.884 38.000 -0.054 0.000 1.343 85 I HN 0.718 nan 8.210 nan 0.000 0.482 86 S N 0.787 116.448 115.700 -0.063 0.000 2.543 86 S HA 0.480 4.950 4.470 0.000 0.000 0.274 86 S C -0.291 174.266 174.600 -0.072 0.000 1.149 86 S CA -0.189 57.972 58.200 -0.064 0.000 0.866 86 S CB 1.878 65.037 63.200 -0.069 0.000 1.111 86 S HN 0.771 nan 8.310 nan 0.000 0.457 87 T N -1.747 112.767 114.554 -0.066 0.000 3.397 87 T HA 0.372 4.722 4.350 0.000 0.000 0.233 87 T C 1.209 175.861 174.700 -0.080 0.000 0.969 87 T CA 0.783 62.839 62.100 -0.073 0.000 1.316 87 T CB -0.309 68.525 68.868 -0.057 0.000 1.175 87 T HN 1.067 nan 8.240 nan 0.000 0.381 88 S N 0.644 116.306 115.700 -0.064 0.000 2.937 88 S HA 0.653 5.123 4.470 0.000 0.000 0.252 88 S C 0.304 174.876 174.600 -0.047 0.000 1.022 88 S CA 0.196 58.360 58.200 -0.060 0.000 1.079 88 S CB -0.114 63.053 63.200 -0.055 0.000 1.035 88 S HN 1.079 nan 8.310 nan 0.000 0.594 89 G N 1.346 110.119 108.800 -0.045 0.000 2.578 89 G HA2 0.529 4.489 3.960 0.000 0.000 0.302 89 G HA3 0.529 4.489 3.960 0.000 0.000 0.302 89 G C -3.380 171.499 174.900 -0.035 0.000 1.243 89 G CA -0.703 44.376 45.100 -0.035 0.000 0.843 89 G HN 0.198 nan 8.290 nan 0.000 0.486 90 P HA 0.531 nan 4.420 nan 0.000 0.272 90 P C -0.770 176.512 177.300 -0.031 0.000 1.240 90 P CA -0.256 62.827 63.100 -0.028 0.000 0.791 90 P CB 0.953 32.641 31.700 -0.021 0.000 0.978 91 c N 1.385 119.965 118.600 -0.033 0.000 2.701 91 c HA 0.422 4.992 4.570 0.000 0.000 0.336 91 c C -0.680 173.389 174.090 -0.035 0.000 1.123 91 c CA -0.663 55.646 56.329 -0.035 0.000 1.326 91 c CB 1.582 44.068 42.510 -0.040 0.000 1.833 91 c HN 0.462 nan 8.230 nan 0.000 0.473 92 R N 2.993 123.472 120.500 -0.036 0.000 2.265 92 R HA 0.410 4.750 4.340 0.000 0.000 0.328 92 R C 0.322 176.588 176.300 -0.056 0.000 0.969 92 R CA -0.417 55.660 56.100 -0.039 0.000 0.832 92 R CB 0.952 31.232 30.300 -0.033 0.000 1.139 92 R HN 0.837 nan 8.270 nan 0.000 0.457 93 R N 2.167 122.633 120.500 -0.057 0.000 2.822 93 R HA 0.151 4.491 4.340 0.000 0.000 0.277 93 R C 0.131 176.344 176.300 -0.145 0.000 1.102 93 R CA -0.468 55.577 56.100 -0.092 0.000 1.207 93 R CB 0.523 30.797 30.300 -0.043 0.000 1.139 93 R HN 0.428 nan 8.270 nan 0.000 0.557 94 L N -0.700 120.385 121.223 -0.230 0.000 2.688 94 L HA 0.159 4.499 4.340 0.000 0.000 0.216 94 L C -0.039 176.598 176.870 -0.389 0.000 1.036 94 L CA 1.085 55.770 54.840 -0.258 0.000 0.906 94 L CB -0.032 41.897 42.059 -0.216 0.000 1.501 94 L HN 0.946 nan 8.230 nan 0.000 0.489 95 S N -1.164 114.268 115.700 -0.448 0.000 2.569 95 S HA 0.671 5.141 4.470 0.000 0.000 0.280 95 S C -1.502 172.963 174.600 -0.224 0.000 1.111 95 S CA -0.535 57.421 58.200 -0.407 0.000 0.887 95 S CB 1.863 64.981 63.200 -0.136 0.000 1.095 95 S HN 0.089 nan 8.310 nan 0.000 0.476 96 Y N 0.336 120.742 120.300 0.178 0.000 2.335 96 Y HA 0.735 5.285 4.550 0.000 0.000 0.338 96 Y C 0.240 176.350 175.900 0.350 0.000 0.977 96 Y CA -1.281 56.940 58.100 0.202 0.000 1.114 96 Y CB 1.594 40.077 38.460 0.038 0.000 1.182 96 Y HN 0.715 nan 8.280 nan 0.000 0.463 97 K N 2.054 122.807 120.400 0.588 0.000 3.022 97 K HA 0.500 4.820 4.320 0.000 0.000 0.178 97 K C 0.732 177.597 176.600 0.441 0.000 1.089 97 K CA 0.280 56.738 56.287 0.286 0.000 0.916 97 K CB 0.159 32.465 32.500 -0.323 0.000 1.159 97 K HN 0.864 nan 8.250 nan 0.000 0.592 98 G N 1.265 110.335 108.800 0.449 0.000 3.729 98 G HA2 -0.423 3.537 3.960 0.000 0.000 0.327 98 G HA3 -0.423 3.537 3.960 0.000 0.000 0.327 98 G C 0.786 175.777 174.900 0.151 0.000 1.293 98 G CA 0.784 46.103 45.100 0.364 0.000 1.011 98 G HN 0.451 nan 8.290 nan 0.000 0.673 99 Y N 1.044 121.513 120.300 0.283 0.000 2.482 99 Y HA 0.544 5.094 4.550 0.000 0.000 0.270 99 Y C 1.108 177.043 175.900 0.059 0.000 1.152 99 Y CA 0.134 58.251 58.100 0.028 0.000 1.292 99 Y CB 0.225 38.613 38.460 -0.119 0.000 1.070 99 Y HN 0.217 nan 8.280 nan 0.000 0.528 100 F N 0.139 120.393 119.950 0.506 0.000 2.458 100 F HA 0.537 5.064 4.527 0.000 0.000 0.330 100 F C -0.175 175.967 175.800 0.569 0.000 1.082 100 F CA -1.029 57.267 58.000 0.494 0.000 0.995 100 F CB 1.187 40.403 39.000 0.361 0.000 1.170 100 F HN -0.385 nan 8.300 nan 0.000 0.478 101 L N 2.818 124.391 121.223 0.583 0.000 2.303 101 L HA 0.708 5.048 4.340 0.000 0.000 0.266 101 L C -1.289 175.663 176.870 0.137 0.000 1.011 101 L CA -1.202 53.816 54.840 0.296 0.000 0.818 101 L CB 2.529 44.664 42.059 0.127 0.000 1.326 101 L HN 0.536 nan 8.230 nan 0.000 0.435 102 L N 1.603 122.745 121.223 -0.134 0.000 2.580 102 L HA 0.761 5.101 4.340 0.000 0.000 0.266 102 L C -1.200 175.524 176.870 -0.244 0.000 0.955 102 L CA 0.058 54.697 54.840 -0.336 0.000 0.886 102 L CB 1.527 43.038 42.059 -0.913 0.000 1.263 102 L HN 0.761 nan 8.230 nan 0.000 0.406 103 A N 4.173 126.904 122.820 -0.148 0.000 2.564 103 A HA 0.734 5.054 4.320 0.000 0.000 0.288 103 A C -1.537 176.010 177.584 -0.060 0.000 1.164 103 A CA -0.789 51.188 52.037 -0.100 0.000 0.712 103 A CB 1.960 20.918 19.000 -0.070 0.000 1.303 103 A HN 0.554 nan 8.150 nan 0.000 0.418 104 K N 0.256 120.631 120.400 -0.042 0.000 2.265 104 K HA 0.571 4.891 4.320 0.000 0.000 0.267 104 K C -1.444 175.146 176.600 -0.017 0.000 0.994 104 K CA -0.253 56.025 56.287 -0.015 0.000 0.860 104 K CB 1.156 33.652 32.500 -0.007 0.000 1.099 104 K HN 0.704 nan 8.250 nan 0.000 0.448 105 c N 3.681 122.275 118.600 -0.011 0.000 2.719 105 c HA 0.489 5.059 4.570 0.000 0.000 0.327 105 c C -1.423 172.658 174.090 -0.016 0.000 1.238 105 c CA -1.468 54.850 56.329 -0.018 0.000 1.727 105 c CB 1.552 44.048 42.510 -0.023 0.000 2.256 105 c HN 0.700 nan 8.230 nan 0.000 0.489 106 P HA 0.165 nan 4.420 nan 0.000 0.199 106 P C -1.595 175.688 177.300 -0.028 0.000 1.201 106 P CA 1.127 64.213 63.100 -0.023 0.000 0.880 106 P CB -0.981 30.704 31.700 -0.025 0.000 0.714 107 P HA 0.084 nan 4.420 nan 0.000 0.203 107 P C 0.430 177.708 177.300 -0.038 0.000 1.211 107 P CA 1.609 64.687 63.100 -0.037 0.000 0.913 107 P CB -0.482 31.194 31.700 -0.040 0.000 0.745 108 G N -0.290 108.485 108.800 -0.042 0.000 2.511 108 G HA2 -0.080 3.880 3.960 0.000 0.000 0.205 108 G HA3 -0.080 3.880 3.960 0.000 0.000 0.205 108 G C 0.034 174.904 174.900 -0.050 0.000 1.098 108 G CA 0.082 45.156 45.100 -0.043 0.000 0.812 108 G HN 0.259 nan 8.290 nan 0.000 0.497 109 D N 0.003 120.368 120.400 -0.058 0.000 2.259 109 D HA 0.232 4.872 4.640 0.000 0.000 0.216 109 D C 1.728 177.983 176.300 -0.075 0.000 0.961 109 D CA 1.721 55.683 54.000 -0.064 0.000 0.878 109 D CB 0.645 41.406 40.800 -0.065 0.000 1.009 109 D HN 0.803 nan 8.370 nan 0.000 0.490 110 S N -1.371 114.275 115.700 -0.090 0.000 2.720 110 S HA 0.681 5.151 4.470 0.000 0.000 0.287 110 S C -1.153 173.388 174.600 -0.098 0.000 1.168 110 S CA -0.748 57.389 58.200 -0.104 0.000 0.832 110 S CB 1.972 65.082 63.200 -0.150 0.000 1.166 110 S HN -0.190 nan 8.310 nan 0.000 0.493 111 V N 1.155 121.010 119.914 -0.099 0.000 2.638 111 V HA 0.681 4.801 4.120 0.000 0.000 0.306 111 V C -0.862 175.175 176.094 -0.096 0.000 1.052 111 V CA -0.424 61.827 62.300 -0.082 0.000 0.885 111 V CB 1.797 33.587 31.823 -0.054 0.000 0.999 111 V HN 1.035 nan 8.190 nan 0.000 0.424 112 T N 3.913 118.407 114.554 -0.099 0.000 2.864 112 T HA 0.541 4.891 4.350 0.000 0.000 0.299 112 T C -0.506 174.142 174.700 -0.086 0.000 1.011 112 T CA -0.401 61.633 62.100 -0.111 0.000 0.975 112 T CB 1.463 70.238 68.868 -0.155 0.000 0.962 112 T HN 0.349 nan 8.240 nan 0.000 0.448 113 V N 3.899 123.773 119.914 -0.067 0.000 2.398 113 V HA 0.796 4.916 4.120 0.000 0.000 0.286 113 V C 0.116 176.168 176.094 -0.071 0.000 1.026 113 V CA -0.646 61.620 62.300 -0.055 0.000 0.868 113 V CB 1.280 33.094 31.823 -0.014 0.000 0.982 113 V HN 1.065 nan 8.190 nan 0.000 0.443 114 S N 4.655 120.304 115.700 -0.085 0.000 2.607 114 S HA 0.792 5.262 4.470 0.000 0.000 0.273 114 S C -1.056 173.489 174.600 -0.091 0.000 1.148 114 S CA -0.921 57.229 58.200 -0.083 0.000 0.833 114 S CB 1.992 65.125 63.200 -0.111 0.000 1.130 114 S HN 0.456 nan 8.310 nan 0.000 0.470 115 I N 1.729 122.257 120.570 -0.070 0.000 2.362 115 I HA 0.405 4.575 4.170 0.000 0.000 0.289 115 I C -0.188 175.924 176.117 -0.008 0.000 0.994 115 I CA -1.185 60.057 61.300 -0.096 0.000 1.158 115 I CB 1.970 39.871 38.000 -0.164 0.000 1.315 115 I HN 0.644 nan 8.210 nan 0.000 0.451 116 V N 1.832 121.742 119.914 -0.006 0.000 2.776 116 V HA 0.263 4.383 4.120 0.000 0.000 0.332 116 V C 0.722 176.829 176.094 0.021 0.000 1.201 116 V CA -0.228 62.087 62.300 0.024 0.000 1.401 116 V CB 0.090 31.929 31.823 0.027 0.000 1.552 116 V HN 0.821 nan 8.190 nan 0.000 0.605 117 S N 2.522 118.238 115.700 0.027 0.000 2.110 117 S HA 0.028 4.498 4.470 0.000 0.000 0.152 117 S C 1.421 176.042 174.600 0.035 0.000 1.404 117 S CA 0.970 59.197 58.200 0.044 0.000 2.390 117 S CB -0.064 63.175 63.200 0.065 0.000 0.276 117 S HN 1.163 nan 8.310 nan 0.000 0.349 118 S N 1.263 116.987 115.700 0.040 0.000 3.812 118 S HA 0.390 4.860 4.470 0.000 0.000 0.195 118 S C 0.126 174.740 174.600 0.024 0.000 1.460 118 S CA -0.262 57.957 58.200 0.031 0.000 1.052 118 S CB -0.682 62.539 63.200 0.035 0.000 1.385 118 S HN 0.654 nan 8.310 nan 0.000 0.490 119 N N 0.213 118.922 118.700 0.014 0.000 2.849 119 N HA -0.181 4.559 4.740 0.000 0.000 0.200 119 N C -0.161 175.345 175.510 -0.008 0.000 1.129 119 N CA 1.867 54.918 53.050 0.001 0.000 1.320 119 N CB -1.946 36.544 38.487 0.004 0.000 0.945 119 N HN 0.805 nan 8.380 nan 0.000 0.554 120 S N 0.394 116.101 115.700 0.013 0.000 2.465 120 S HA 0.628 5.098 4.470 0.000 0.000 0.280 120 S C 0.281 174.886 174.600 0.009 0.000 1.232 120 S CA -0.039 58.172 58.200 0.018 0.000 1.066 120 S CB 1.631 64.865 63.200 0.056 0.000 0.929 120 S HN 0.577 nan 8.310 nan 0.000 0.494 121 A N 3.857 126.656 122.820 -0.035 0.000 2.431 121 A HA 0.624 4.944 4.320 0.000 0.000 0.318 121 A C 0.305 177.961 177.584 0.121 0.000 1.330 121 A CA -0.878 51.146 52.037 -0.022 0.000 0.804 121 A CB 0.288 19.132 19.000 -0.260 0.000 1.135 121 A HN 0.798 nan 8.150 nan 0.000 0.483 122 T N 0.362 115.019 114.554 0.172 0.000 2.867 122 T HA 0.741 5.091 4.350 0.000 0.000 0.282 122 T C -0.037 174.754 174.700 0.153 0.000 1.000 122 T CA -0.364 61.852 62.100 0.192 0.000 1.042 122 T CB 1.348 70.283 68.868 0.112 0.000 0.973 122 T HN 1.345 nan 8.240 nan 0.000 0.465 123 S N 0.693 116.447 115.700 0.090 0.000 2.689 123 S HA 0.430 4.900 4.470 0.000 0.000 0.274 123 S C -0.537 174.054 174.600 -0.014 0.000 1.176 123 S CA -1.058 57.107 58.200 -0.059 0.000 1.014 123 S CB 0.541 63.544 63.200 -0.329 0.000 1.071 123 S HN 1.088 nan 8.310 nan 0.000 0.478 124 c N 3.721 122.314 118.600 -0.012 0.000 2.405 124 c HA 0.918 5.488 4.570 0.000 0.000 0.365 124 c C 0.608 174.692 174.090 -0.009 0.000 1.233 124 c CA 0.629 56.965 56.329 0.011 0.000 2.230 124 c CB 0.410 42.914 42.510 -0.010 0.000 2.443 124 c HN 1.176 nan 8.230 nan 0.000 0.556 125 T N 5.067 119.628 114.554 0.012 0.000 2.909 125 T HA 0.624 4.974 4.350 0.000 0.000 0.299 125 T C -1.276 173.393 174.700 -0.051 0.000 1.073 125 T CA -0.630 61.431 62.100 -0.065 0.000 0.999 125 T CB 1.420 70.171 68.868 -0.195 0.000 1.098 125 T HN 0.835 nan 8.240 nan 0.000 0.477 126 L N 3.193 124.373 121.223 -0.071 0.000 2.342 126 L HA 0.874 5.214 4.340 0.000 0.000 0.271 126 L C 0.274 177.101 176.870 -0.072 0.000 1.008 126 L CA -0.618 54.189 54.840 -0.055 0.000 0.818 126 L CB 1.670 43.701 42.059 -0.047 0.000 1.296 126 L HN 0.916 nan 8.230 nan 0.000 0.427 127 A N 5.008 127.794 122.820 -0.057 0.000 3.135 127 A HA 0.375 4.695 4.320 0.000 0.000 0.253 127 A C 0.361 177.909 177.584 -0.059 0.000 1.638 127 A CA -0.301 51.700 52.037 -0.060 0.000 1.295 127 A CB -0.761 18.212 19.000 -0.044 0.000 1.106 127 A HN 0.653 nan 8.150 nan 0.000 0.648 128 R N 0.459 120.920 120.500 -0.065 0.000 2.668 128 R HA 0.463 4.803 4.340 0.000 0.000 0.279 128 R C -0.744 175.521 176.300 -0.058 0.000 0.976 128 R CA -0.595 55.467 56.100 -0.063 0.000 0.978 128 R CB 1.105 31.363 30.300 -0.071 0.000 1.133 128 R HN 0.367 nan 8.270 nan 0.000 0.484 129 K N 4.283 124.651 120.400 -0.053 0.000 2.316 129 K HA 0.334 4.654 4.320 0.000 0.000 0.267 129 K C -0.741 175.835 176.600 -0.041 0.000 1.025 129 K CA -0.426 55.832 56.287 -0.048 0.000 0.896 129 K CB 0.718 33.191 32.500 -0.046 0.000 1.124 129 K HN 0.443 nan 8.250 nan 0.000 0.451 130 I N 3.429 123.976 120.570 -0.037 0.000 2.499 130 I HA 0.297 4.467 4.170 0.000 0.000 0.296 130 I C -0.107 175.990 176.117 -0.034 0.000 0.992 130 I CA -0.707 60.577 61.300 -0.027 0.000 1.297 130 I CB 1.446 39.434 38.000 -0.019 0.000 1.410 130 I HN 0.388 nan 8.210 nan 0.000 0.507 131 K N 4.945 125.325 120.400 -0.034 0.000 2.267 131 K HA 0.510 4.830 4.320 0.000 0.000 0.246 131 K C -2.589 173.985 176.600 -0.044 0.000 0.954 131 K CA -1.736 54.524 56.287 -0.046 0.000 0.824 131 K CB 1.141 33.606 32.500 -0.059 0.000 1.167 131 K HN 0.243 nan 8.250 nan 0.000 0.431 132 P HA 0.032 nan 4.420 nan 0.000 0.265 132 P C -1.293 175.977 177.300 -0.051 0.000 1.222 132 P CA 0.009 63.083 63.100 -0.043 0.000 0.767 132 P CB 0.344 32.020 31.700 -0.040 0.000 0.801 133 K N 3.931 124.299 120.400 -0.055 0.000 2.293 133 K HA 0.480 4.800 4.320 0.000 0.000 0.267 133 K C -0.551 175.993 176.600 -0.094 0.000 1.010 133 K CA -0.618 55.616 56.287 -0.088 0.000 0.875 133 K CB 0.908 33.375 32.500 -0.056 0.000 1.106 133 K HN 0.428 nan 8.250 nan 0.000 0.450 134 F N 0.663 120.458 119.950 -0.257 0.000 2.539 134 F HA 0.342 4.869 4.527 0.000 0.000 0.318 134 F C 0.349 176.102 175.800 -0.077 0.000 1.135 134 F CA -1.120 56.642 58.000 -0.395 0.000 0.915 134 F CB 0.834 39.370 39.000 -0.772 0.000 1.176 134 F HN 0.228 nan 8.300 nan 0.000 0.440 135 V N 4.408 124.400 119.914 0.130 0.000 2.302 135 V HA 0.190 4.310 4.120 0.000 0.000 0.243 135 V C 1.612 177.792 176.094 0.144 0.000 1.036 135 V CA 1.828 64.171 62.300 0.072 0.000 1.020 135 V CB -0.738 31.170 31.823 0.142 0.000 0.657 135 V HN 1.103 nan 8.190 nan 0.000 0.453 136 G N -0.246 108.817 108.800 0.440 0.000 2.597 136 G HA2 -0.032 3.928 3.960 0.000 0.000 0.283 136 G HA3 -0.032 3.928 3.960 0.000 0.000 0.283 136 G C 0.562 175.695 174.900 0.389 0.000 1.319 136 G CA -0.143 45.172 45.100 0.358 0.000 1.054 136 G HN 0.521 nan 8.290 nan 0.000 0.583 137 R N -0.247 120.403 120.500 0.250 0.000 2.334 137 R HA 0.111 4.451 4.340 0.000 0.000 0.220 137 R C -0.036 176.384 176.300 0.201 0.000 0.917 137 R CA 0.277 56.478 56.100 0.167 0.000 1.073 137 R CB 0.372 30.601 30.300 -0.118 0.000 1.056 137 R HN 0.529 nan 8.270 nan 0.000 0.506 138 E N 1.549 121.954 120.200 0.342 0.000 2.191 138 E HA 0.137 4.487 4.350 0.000 0.000 0.263 138 E C -1.105 175.437 176.600 -0.098 0.000 0.881 138 E CA -0.803 55.675 56.400 0.131 0.000 0.757 138 E CB 2.086 31.740 29.700 -0.077 0.000 1.147 138 E HN -0.195 nan 8.360 nan 0.000 0.414 139 K N 3.407 123.493 120.400 -0.523 0.000 2.416 139 K HA 0.068 4.388 4.320 0.000 0.000 0.283 139 K C -1.394 174.850 176.600 -0.594 0.000 1.037 139 K CA 0.249 55.757 56.287 -1.299 0.000 0.995 139 K CB 0.104 32.122 32.500 -0.803 0.000 0.938 139 K HN 0.432 nan 8.250 nan 0.000 0.475 140 Y N 0.394 120.340 120.300 -0.590 0.000 2.588 140 Y HA 0.469 5.019 4.550 0.000 0.000 0.343 140 Y C -0.569 175.246 175.900 -0.142 0.000 1.065 140 Y CA -1.131 56.801 58.100 -0.279 0.000 1.038 140 Y CB 1.576 39.921 38.460 -0.193 0.000 1.297 140 Y HN 0.503 nan 8.280 nan 0.000 0.467 141 D N 1.665 122.072 120.400 0.012 0.000 2.469 141 D HA 0.304 4.944 4.640 0.000 0.000 0.213 141 D C -0.606 175.749 176.300 0.092 0.000 1.135 141 D CA 0.592 54.581 54.000 -0.020 0.000 0.834 141 D CB 1.158 41.942 40.800 -0.026 0.000 1.009 141 D HN 0.506 nan 8.370 nan 0.000 0.507 142 L N 0.871 122.233 121.223 0.231 0.000 2.549 142 L HA 0.296 4.636 4.340 0.000 0.000 0.259 142 L C -2.682 174.315 176.870 0.211 0.000 0.934 142 L CA -1.820 53.142 54.840 0.203 0.000 0.865 142 L CB 3.014 45.132 42.059 0.098 0.000 1.352 142 L HN -0.354 nan 8.230 nan 0.000 0.410 143 P HA 0.136 nan 4.420 nan 0.000 0.263 143 P C -2.432 174.838 177.300 -0.049 0.000 1.195 143 P CA -0.614 62.445 63.100 -0.069 0.000 0.762 143 P CB -0.178 31.509 31.700 -0.022 0.000 0.799 144 P HA 0.020 nan 4.420 nan 0.000 0.271 144 P C 0.865 178.152 177.300 -0.021 0.000 1.218 144 P CA -0.170 62.966 63.100 0.059 0.000 0.780 144 P CB 0.522 32.294 31.700 0.120 0.000 0.901 145 V N 0.851 120.674 119.914 -0.152 0.000 2.720 145 V HA -0.169 3.951 4.120 0.000 0.000 0.256 145 V C 1.312 177.197 176.094 -0.348 0.000 1.082 145 V CA 1.586 63.680 62.300 -0.344 0.000 1.101 145 V CB -1.409 30.076 31.823 -0.564 0.000 0.693 145 V HN 0.615 nan 8.190 nan 0.000 0.479 146 H N -0.381 118.669 119.070 -0.032 0.000 3.209 146 H HA 0.616 5.172 4.556 0.000 0.000 0.225 146 H C 0.934 176.236 175.328 -0.043 0.000 1.599 146 H CA -0.090 55.943 56.048 -0.025 0.000 1.691 146 H CB 0.174 29.931 29.762 -0.008 0.000 1.473 146 H HN 0.265 nan 8.280 nan 0.000 0.981 147 G N 0.299 109.177 108.800 0.130 0.000 2.796 147 G HA2 -0.253 3.707 3.960 0.000 0.000 0.226 147 G HA3 -0.253 3.707 3.960 0.000 0.000 0.226 147 G C -0.397 174.500 174.900 -0.004 0.000 1.381 147 G CA -0.030 45.091 45.100 0.036 0.000 0.867 147 G HN 0.659 nan 8.290 nan 0.000 0.552 148 K N -0.009 120.376 120.400 -0.025 0.000 2.090 148 K HA 0.491 4.811 4.320 0.000 0.000 0.250 148 K C 0.280 176.859 176.600 -0.035 0.000 1.004 148 K CA -0.481 55.790 56.287 -0.027 0.000 0.919 148 K CB 0.451 32.937 32.500 -0.023 0.000 1.045 148 K HN 0.461 nan 8.250 nan 0.000 0.471 149 K N 2.285 122.670 120.400 -0.025 0.000 2.185 149 K HA 0.384 4.704 4.320 0.000 0.000 0.269 149 K C -0.898 175.695 176.600 -0.012 0.000 0.987 149 K CA -0.667 55.607 56.287 -0.021 0.000 0.865 149 K CB 1.124 33.614 32.500 -0.017 0.000 1.090 149 K HN 0.299 nan 8.250 nan 0.000 0.450 150 I N 3.640 124.206 120.570 -0.006 0.000 2.828 150 I HA 0.301 4.471 4.170 0.000 0.000 0.302 150 I C -2.475 173.649 176.117 0.012 0.000 1.101 150 I CA -2.634 58.670 61.300 0.006 0.000 1.031 150 I CB 1.916 39.926 38.000 0.017 0.000 1.231 150 I HN 0.387 nan 8.210 nan 0.000 0.427 151 P HA 0.228 nan 4.420 nan 0.000 0.271 151 P C -1.188 176.127 177.300 0.025 0.000 1.220 151 P CA -0.231 62.880 63.100 0.019 0.000 0.768 151 P CB 0.264 31.977 31.700 0.023 0.000 0.848 152 c N 0.557 119.169 118.600 0.019 0.000 3.318 152 c HA 0.877 5.447 4.570 0.000 0.000 0.322 152 c C -0.180 173.911 174.090 0.001 0.000 1.398 152 c CA -0.615 55.725 56.329 0.019 0.000 1.339 152 c CB 1.395 43.922 42.510 0.028 0.000 1.668 152 c HN 0.616 nan 8.230 nan 0.000 0.462 153 T N -0.810 113.735 114.554 -0.014 0.000 2.940 153 T HA 0.832 5.182 4.350 0.000 0.000 0.288 153 T C -0.653 173.988 174.700 -0.098 0.000 1.033 153 T CA -0.450 61.618 62.100 -0.052 0.000 1.033 153 T CB 1.527 70.360 68.868 -0.059 0.000 1.079 153 T HN 2.407 nan 8.240 nan 0.000 0.496 154 V N 1.045 120.870 119.914 -0.148 0.000 3.264 154 V HA 0.473 4.593 4.120 0.000 0.000 0.294 154 V C -1.942 174.019 176.094 -0.222 0.000 1.429 154 V CA -1.289 60.897 62.300 -0.190 0.000 1.053 154 V CB 1.812 33.604 31.823 -0.051 0.000 1.128 154 V HN 1.001 nan 8.190 nan 0.000 0.452 155 Y N 2.207 122.512 120.300 0.010 0.000 2.346 155 Y HA 0.357 4.907 4.550 0.000 0.000 0.330 155 Y C 0.905 176.808 175.900 0.005 0.000 1.178 155 Y CA 0.164 58.268 58.100 0.007 0.000 1.331 155 Y CB 0.492 38.940 38.460 -0.020 0.000 1.253 155 Y HN 0.663 nan 8.280 nan 0.000 0.529 156 D N 1.204 121.733 120.400 0.216 0.000 2.369 156 D HA 0.134 4.774 4.640 0.000 0.000 0.241 156 D C 0.232 176.632 176.300 0.166 0.000 1.271 156 D CA 0.234 54.330 54.000 0.160 0.000 0.942 156 D CB 0.551 41.446 40.800 0.158 0.000 1.129 156 D HN 0.547 nan 8.370 nan 0.000 0.476 157 R N -0.583 119.994 120.500 0.130 0.000 2.615 157 R HA 0.431 4.771 4.340 0.000 0.000 0.448 157 R C 0.015 176.390 176.300 0.124 0.000 1.009 157 R CA -0.118 56.042 56.100 0.100 0.000 1.111 157 R CB 0.228 30.526 30.300 -0.004 0.000 1.461 157 R HN 0.203 nan 8.270 nan 0.000 0.587 259 F N 0.949 120.671 119.950 -0.380 0.000 2.368 259 F HA 0.389 4.916 4.527 0.000 0.000 0.362 259 F C 1.277 177.046 175.800 -0.051 0.000 1.137 259 F CA -0.514 57.393 58.000 -0.156 0.000 1.161 259 F CB 0.699 39.644 39.000 -0.092 0.000 1.265 259 F HN -0.125 nan 8.300 nan 0.000 0.530 260 K N 2.727 123.170 120.400 0.072 0.000 2.286 260 K HA 0.208 4.528 4.320 0.000 0.000 0.256 260 K C -0.310 176.358 176.600 0.113 0.000 0.999 260 K CA -0.368 55.949 56.287 0.050 0.000 0.908 260 K CB 0.770 33.267 32.500 -0.006 0.000 0.981 260 K HN 0.573 nan 8.250 nan 0.000 0.500 261 L N 3.489 124.734 121.223 0.036 0.000 2.287 261 L HA 0.274 4.614 4.340 0.000 0.000 0.280 261 L C -0.653 176.187 176.870 -0.050 0.000 1.055 261 L CA -0.722 54.078 54.840 -0.067 0.000 0.863 261 L CB 0.456 42.445 42.059 -0.118 0.000 1.245 261 L HN 0.488 nan 8.230 nan 0.000 0.432 262 I N 7.036 127.581 120.570 -0.041 0.000 2.428 262 I HA 0.516 4.686 4.170 0.000 0.000 0.296 262 I C -2.165 173.932 176.117 -0.034 0.000 0.985 262 I CA -2.228 59.058 61.300 -0.023 0.000 1.260 262 I CB 1.541 39.539 38.000 -0.003 0.000 1.389 262 I HN 0.316 nan 8.210 nan 0.000 0.484 263 P HA 0.267 nan 4.420 nan 0.000 0.279 263 P C -1.261 176.034 177.300 -0.009 0.000 1.239 263 P CA -0.081 63.011 63.100 -0.014 0.000 0.789 263 P CB 1.171 32.868 31.700 -0.005 0.000 0.933 264 S N 1.126 116.822 115.700 -0.007 0.000 3.813 264 S HA 0.500 4.970 4.470 0.000 0.000 0.309 264 S C -0.724 173.877 174.600 0.001 0.000 1.136 264 S CA -0.440 57.758 58.200 -0.002 0.000 1.190 264 S CB 0.861 64.059 63.200 -0.003 0.000 1.582 264 S HN 0.494 nan 8.310 nan 0.000 0.647 265 T N 0.174 114.728 114.554 0.000 0.000 2.824 265 T HA 0.703 5.053 4.350 0.000 0.000 0.282 265 T C -0.673 174.028 174.700 0.000 0.000 0.993 265 T CA -0.362 61.738 62.100 0.000 0.000 0.967 265 T CB 0.234 69.100 68.868 -0.004 0.000 0.960 265 T HN 0.810 nan 8.240 nan 0.000 0.441 269 P HA 0.417 nan 4.420 nan 0.000 0.276 269 P C -1.360 175.908 177.300 -0.053 0.000 1.244 269 P CA -0.151 62.865 63.100 -0.140 0.000 0.801 269 P CB 1.220 32.797 31.700 -0.205 0.000 1.006 270 V N 0.992 120.921 119.914 0.024 0.000 2.513 270 V HA 0.669 4.789 4.120 0.000 0.000 0.299 270 V C -0.104 176.108 176.094 0.196 0.000 1.035 270 V CA -0.826 61.545 62.300 0.119 0.000 0.889 270 V CB 1.105 32.993 31.823 0.109 0.000 0.988 270 V HN 0.751 nan 8.190 nan 0.000 0.440 271 A N 4.088 127.001 122.820 0.154 0.000 2.313 271 A HA 0.372 4.692 4.320 0.000 0.000 0.261 271 A C -0.047 177.757 177.584 0.367 0.000 1.090 271 A CA -0.167 51.881 52.037 0.018 0.000 0.807 271 A CB -0.128 18.304 19.000 -0.948 0.000 1.055 271 A HN 1.241 nan 8.150 nan 0.000 0.492 272 H N 1.302 120.590 119.070 0.364 0.000 3.232 272 H HA 0.423 4.979 4.556 0.000 0.000 0.254 272 H C 0.692 176.249 175.328 0.381 0.000 1.213 272 H CA 0.206 56.458 56.048 0.338 0.000 1.503 272 H CB -0.379 29.494 29.762 0.186 0.000 1.563 272 H HN 0.855 nan 8.280 nan 0.000 0.490 273 A N 6.203 129.062 122.820 0.066 0.000 2.602 273 A HA -0.040 4.280 4.320 0.000 0.000 0.257 273 A C -2.079 175.257 177.584 -0.414 0.000 0.973 273 A CA -0.557 51.474 52.037 -0.010 0.000 0.862 273 A CB -0.562 18.459 19.000 0.034 0.000 0.855 273 A HN 0.717 nan 8.150 nan 0.000 0.492 274 P HA 0.051 nan 4.420 nan 0.000 0.267 274 P C -0.162 176.935 177.300 -0.338 0.000 1.205 274 P CA -0.174 62.557 63.100 -0.615 0.000 0.765 274 P CB 0.414 31.612 31.700 -0.837 0.000 0.828 275 N N 3.934 122.479 118.700 -0.258 0.000 2.406 275 N HA 0.066 4.806 4.740 0.000 0.000 0.265 275 N C -0.823 174.565 175.510 -0.204 0.000 1.203 275 N CA 0.244 53.192 53.050 -0.171 0.000 0.945 275 N CB -0.112 38.313 38.487 -0.103 0.000 1.165 275 N HN -0.023 nan 8.380 nan 0.000 0.485 276 V N 4.496 124.294 119.914 -0.193 0.000 2.716 276 V HA 0.476 4.596 4.120 0.000 0.000 0.304 276 V C 0.613 176.528 176.094 -0.297 0.000 1.053 276 V CA -0.667 61.468 62.300 -0.275 0.000 0.984 276 V CB 1.260 32.918 31.823 -0.276 0.000 1.021 276 V HN 0.522 nan 8.190 nan 0.000 0.467 277 I N 3.129 123.475 120.570 -0.373 0.000 2.497 277 I HA 0.347 4.517 4.170 0.000 0.000 0.284 277 I C -0.441 175.497 176.117 -0.297 0.000 1.060 277 I CA -0.402 60.733 61.300 -0.274 0.000 1.071 277 I CB 1.193 39.089 38.000 -0.174 0.000 1.216 277 I HN 0.659 nan 8.210 nan 0.000 0.442 278 H N 4.456 123.519 119.070 -0.011 0.000 2.562 278 H HA 0.661 5.217 4.556 0.000 0.000 0.352 278 H C 0.274 175.633 175.328 0.051 0.000 1.125 278 H CA -0.301 55.760 56.048 0.023 0.000 1.379 278 H CB 1.894 31.678 29.762 0.036 0.000 1.464 278 H HN 0.763 nan 8.280 nan 0.000 0.563 279 G N 0.786 109.715 108.800 0.216 0.000 2.846 279 G HA2 0.251 4.211 3.960 0.000 0.000 0.299 279 G HA3 0.251 4.211 3.960 0.000 0.000 0.299 279 G C -1.498 173.569 174.900 0.278 0.000 1.242 279 G CA -0.798 44.451 45.100 0.248 0.000 0.800 279 G HN 0.438 nan 8.290 nan 0.000 0.538 280 F N 2.477 122.520 119.950 0.155 0.000 2.490 280 F HA 0.329 4.856 4.527 0.000 0.000 0.357 280 F C 1.235 177.070 175.800 0.059 0.000 1.166 280 F CA -0.141 57.910 58.000 0.086 0.000 1.116 280 F CB -0.267 38.755 39.000 0.038 0.000 1.171 280 F HN 0.488 nan 8.300 nan 0.000 0.576 281 K N 3.433 123.603 120.400 -0.384 0.000 3.156 281 K HA -0.285 4.035 4.320 0.000 0.000 0.266 281 K C -1.020 175.572 176.600 -0.013 0.000 0.966 281 K CA 0.674 56.790 56.287 -0.285 0.000 0.719 281 K CB -1.858 30.337 32.500 -0.509 0.000 1.333 281 K HN 0.665 nan 8.250 nan 0.000 0.468 282 H N -0.148 118.915 119.070 -0.011 0.000 2.954 282 H HA 0.539 5.095 4.556 0.000 0.000 0.361 282 H C -0.987 174.357 175.328 0.026 0.000 1.122 282 H CA -0.986 55.076 56.048 0.024 0.000 1.217 282 H CB 0.976 30.770 29.762 0.054 0.000 1.776 282 H HN 0.194 nan 8.280 nan 0.000 0.533 283 I N 3.152 123.746 120.570 0.040 0.000 2.540 283 I HA 0.187 4.357 4.170 0.000 0.000 0.280 283 I C -0.064 175.891 176.117 -0.270 0.000 1.083 283 I CA -0.802 60.432 61.300 -0.110 0.000 1.080 283 I CB 1.523 39.524 38.000 0.002 0.000 1.205 283 I HN 0.476 nan 8.210 nan 0.000 0.459 284 S N 6.570 122.036 115.700 -0.390 0.000 2.545 284 S HA 0.659 5.129 4.470 0.000 0.000 0.275 284 S C -0.499 173.887 174.600 -0.358 0.000 1.299 284 S CA -0.542 57.419 58.200 -0.398 0.000 1.048 284 S CB 1.411 64.390 63.200 -0.369 0.000 0.938 284 S HN 0.575 nan 8.310 nan 0.000 0.496 285 L N 3.011 124.003 121.223 -0.385 0.000 2.408 285 L HA 0.306 4.646 4.340 0.000 0.000 0.257 285 L C 0.004 176.652 176.870 -0.370 0.000 1.053 285 L CA -0.354 54.242 54.840 -0.406 0.000 0.922 285 L CB 0.981 42.758 42.059 -0.469 0.000 1.261 285 L HN 0.743 nan 8.230 nan 0.000 0.458 286 Q N 4.031 123.647 119.800 -0.307 0.000 2.262 286 Q HA 0.348 4.688 4.340 0.000 0.000 0.272 286 Q C -0.939 174.895 176.000 -0.277 0.000 1.076 286 Q CA 0.289 55.946 55.803 -0.242 0.000 0.905 286 Q CB 0.789 29.421 28.738 -0.175 0.000 1.182 286 Q HN 0.490 nan 8.270 nan 0.000 0.390 287 L N 2.318 123.396 121.223 -0.241 0.000 2.354 287 L HA 0.508 4.848 4.340 0.000 0.000 0.269 287 L C -0.564 176.267 176.870 -0.065 0.000 1.005 287 L CA -0.618 54.071 54.840 -0.252 0.000 0.819 287 L CB 1.900 43.797 42.059 -0.270 0.000 1.311 287 L HN 0.457 nan 8.230 nan 0.000 0.423 288 D N 0.662 121.090 120.400 0.046 0.000 2.527 288 D HA 0.234 4.874 4.640 0.000 0.000 0.242 288 D C -1.215 175.118 176.300 0.056 0.000 1.285 288 D CA -0.180 53.839 54.000 0.032 0.000 0.886 288 D CB 1.265 42.045 40.800 -0.034 0.000 1.402 288 D HN 0.483 nan 8.370 nan 0.000 0.528 289 T N -1.013 113.565 114.554 0.040 0.000 2.779 289 T HA 0.205 4.555 4.350 0.000 0.000 0.280 289 T C 1.095 175.678 174.700 -0.196 0.000 0.987 289 T CA -0.791 61.243 62.100 -0.110 0.000 0.966 289 T CB 2.279 71.009 68.868 -0.230 0.000 0.933 289 T HN -0.063 nan 8.240 nan 0.000 0.442 290 D N 1.575 121.840 120.400 -0.224 0.000 2.239 290 D HA -0.177 4.463 4.640 0.000 0.000 0.202 290 D C 0.932 177.193 176.300 -0.066 0.000 0.993 290 D CA 1.627 55.562 54.000 -0.108 0.000 0.874 290 D CB 0.092 40.893 40.800 0.002 0.000 0.922 290 D HN 0.898 nan 8.370 nan 0.000 0.464 291 H N -2.891 116.185 119.070 0.010 0.000 3.038 291 H HA 0.333 4.889 4.556 0.000 0.000 0.289 291 H C -0.551 174.790 175.328 0.021 0.000 1.510 291 H CA -1.106 54.937 56.048 -0.008 0.000 1.227 291 H CB 0.084 29.824 29.762 -0.037 0.000 1.880 291 H HN -0.154 nan 8.280 nan 0.000 0.594 292 L N 2.637 124.020 121.223 0.267 0.000 2.342 292 L HA 0.184 4.524 4.340 0.000 0.000 0.285 292 L C 0.215 177.369 176.870 0.474 0.000 1.095 292 L CA -0.137 54.885 54.840 0.303 0.000 0.843 292 L CB 0.754 42.930 42.059 0.195 0.000 1.201 292 L HN 0.735 nan 8.230 nan 0.000 0.445 293 T N 2.647 117.362 114.554 0.269 0.000 2.855 293 T HA 0.454 4.804 4.350 0.000 0.000 0.281 293 T C -0.365 174.122 174.700 -0.356 0.000 1.007 293 T CA -0.778 61.274 62.100 -0.079 0.000 1.009 293 T CB 1.630 70.228 68.868 -0.450 0.000 0.983 293 T HN 0.366 nan 8.240 nan 0.000 0.455 294 L N 3.807 124.472 121.223 -0.929 0.000 2.326 294 L HA 0.536 4.876 4.340 0.000 0.000 0.278 294 L C -0.574 175.990 176.870 -0.510 0.000 1.092 294 L CA -0.955 53.188 54.840 -1.162 0.000 0.810 294 L CB 1.051 42.199 42.059 -1.519 0.000 1.153 294 L HN 0.654 nan 8.230 nan 0.000 0.439 295 L N 4.735 125.811 121.223 -0.245 0.000 2.345 295 L HA 0.442 4.782 4.340 0.000 0.000 0.274 295 L C -0.720 176.146 176.870 -0.007 0.000 0.999 295 L CA -0.254 54.621 54.840 0.057 0.000 0.849 295 L CB 1.660 43.892 42.059 0.287 0.000 1.220 295 L HN 0.615 nan 8.230 nan 0.000 0.422 296 T N 1.267 115.813 114.554 -0.013 0.000 2.929 296 T HA 0.724 5.074 4.350 0.000 0.000 0.284 296 T C 0.065 174.725 174.700 -0.067 0.000 1.014 296 T CA -0.522 61.549 62.100 -0.048 0.000 1.051 296 T CB 1.857 70.691 68.868 -0.056 0.000 1.028 296 T HN 0.699 nan 8.240 nan 0.000 0.485 297 T N -0.854 113.613 114.554 -0.145 0.000 2.816 297 T HA 0.852 5.202 4.350 0.000 0.000 0.299 297 T C -1.355 173.240 174.700 -0.175 0.000 1.230 297 T CA -1.316 60.647 62.100 -0.228 0.000 1.007 297 T CB 2.064 70.590 68.868 -0.571 0.000 1.289 297 T HN 1.056 nan 8.240 nan 0.000 0.508 298 R N -0.330 120.065 120.500 -0.176 0.000 2.728 298 R HA 0.528 4.868 4.340 0.000 0.000 0.259 298 R C -1.295 174.919 176.300 -0.142 0.000 1.057 298 R CA -1.177 54.839 56.100 -0.139 0.000 0.908 298 R CB 1.051 31.286 30.300 -0.108 0.000 1.259 298 R HN 0.631 nan 8.270 nan 0.000 0.472 299 R N 1.762 122.182 120.500 -0.133 0.000 2.615 299 R HA 0.274 4.614 4.340 0.000 0.000 0.270 299 R C 0.482 176.704 176.300 -0.131 0.000 1.081 299 R CA -0.487 55.537 56.100 -0.127 0.000 1.154 299 R CB 0.646 30.877 30.300 -0.115 0.000 1.063 299 R HN 0.617 nan 8.270 nan 0.000 0.519 300 L N 0.912 122.070 121.223 -0.109 0.000 2.592 300 L HA 0.165 4.505 4.340 0.000 0.000 0.227 300 L C 1.404 178.237 176.870 -0.061 0.000 1.127 300 L CA -0.095 54.705 54.840 -0.068 0.000 0.884 300 L CB -0.174 41.867 42.059 -0.029 0.000 1.065 300 L HN 0.720 nan 8.230 nan 0.000 0.457 301 G N -0.360 108.369 108.800 -0.119 0.000 2.516 301 G HA2 0.342 4.302 3.960 0.000 0.000 0.276 301 G HA3 0.342 4.302 3.960 0.000 0.000 0.276 301 G C 1.077 175.671 174.900 -0.511 0.000 1.390 301 G CA 0.281 45.287 45.100 -0.156 0.000 1.050 301 G HN 0.119 nan 8.290 nan 0.000 0.519 302 A N -0.498 121.987 122.820 -0.559 0.000 1.873 302 A HA 0.023 4.343 4.320 0.000 0.000 0.215 302 A C 1.438 178.631 177.584 -0.652 0.000 1.186 302 A CA 1.288 52.714 52.037 -1.019 0.000 0.616 302 A CB -0.396 18.392 19.000 -0.353 0.000 0.823 302 A HN 0.468 nan 8.150 nan 0.000 0.442 303 N N -0.160 118.339 118.700 -0.334 0.000 2.485 303 N HA 0.358 5.098 4.740 0.000 0.000 0.243 303 N C -2.272 173.128 175.510 -0.183 0.000 0.987 303 N CA -2.174 50.749 53.050 -0.211 0.000 0.940 303 N CB 1.567 39.983 38.487 -0.119 0.000 1.122 303 N HN 0.037 nan 8.380 nan 0.000 0.509 304 P HA 0.054 nan 4.420 nan 0.000 0.234 304 P C -0.845 176.395 177.300 -0.101 0.000 1.175 304 P CA 0.351 63.362 63.100 -0.148 0.000 0.801 304 P CB 0.126 31.735 31.700 -0.152 0.000 0.891 305 E N -0.388 119.766 120.200 -0.077 0.000 2.183 305 E HA -0.175 4.175 4.350 0.000 0.000 0.196 305 E C -1.845 174.724 176.600 -0.051 0.000 1.364 305 E CA -0.363 56.008 56.400 -0.048 0.000 0.700 305 E CB -1.930 27.751 29.700 -0.033 0.000 1.106 305 E HN 0.406 nan 8.360 nan 0.000 0.347 306 P HA -0.042 nan 4.420 nan 0.000 0.267 306 P C -0.448 176.828 177.300 -0.039 0.000 1.201 306 P CA 0.435 63.501 63.100 -0.058 0.000 0.775 306 P CB 0.727 32.402 31.700 -0.040 0.000 0.854 307 T N 0.272 114.793 114.554 -0.055 0.000 3.313 307 T HA 0.279 4.629 4.350 0.000 0.000 0.333 307 T C -0.520 174.170 174.700 -0.016 0.000 0.904 307 T CA -0.555 61.533 62.100 -0.020 0.000 1.079 307 T CB 0.585 69.448 68.868 -0.010 0.000 1.017 307 T HN 0.361 nan 8.240 nan 0.000 0.471 308 T N 2.129 116.689 114.554 0.010 0.000 2.928 308 T HA 0.702 5.052 4.350 0.000 0.000 0.284 308 T C -0.798 173.935 174.700 0.055 0.000 1.008 308 T CA -0.376 61.729 62.100 0.009 0.000 1.057 308 T CB 1.260 70.135 68.868 0.012 0.000 1.018 308 T HN 0.740 nan 8.240 nan 0.000 0.493 309 E N 2.617 122.839 120.200 0.037 0.000 2.388 309 E HA 0.289 4.639 4.350 0.000 0.000 0.282 309 E C -2.013 174.621 176.600 0.055 0.000 1.026 309 E CA -0.826 55.642 56.400 0.114 0.000 0.820 309 E CB 0.981 30.756 29.700 0.126 0.000 1.226 309 E HN 0.668 nan 8.360 nan 0.000 0.432 310 W N 5.099 126.440 121.300 0.067 0.000 2.361 310 W HA 0.498 5.158 4.660 0.000 0.000 0.309 310 W C 0.061 176.622 176.519 0.070 0.000 1.122 310 W CA -0.424 56.962 57.345 0.067 0.000 1.208 310 W CB 0.914 30.408 29.460 0.056 0.000 1.246 310 W HN 0.398 nan 8.180 nan 0.000 0.490 311 I N 1.333 122.059 120.570 0.261 0.000 2.750 311 I HA 0.895 5.065 4.170 0.000 0.000 0.308 311 I C -0.723 175.499 176.117 0.174 0.000 1.016 311 I CA -1.355 60.064 61.300 0.198 0.000 1.098 311 I CB 1.665 39.779 38.000 0.191 0.000 1.279 311 I HN 0.078 nan 8.210 nan 0.000 0.454 312 V N 2.290 122.273 119.914 0.114 0.000 3.049 312 V HA 0.864 4.984 4.120 0.000 0.000 0.309 312 V C 0.680 176.794 176.094 0.035 0.000 1.148 312 V CA 0.081 62.421 62.300 0.067 0.000 0.990 312 V CB 0.591 32.447 31.823 0.055 0.000 1.039 312 V HN 1.378 nan 8.190 nan 0.000 0.430 313 G N 2.612 111.415 108.800 0.005 0.000 2.556 313 G HA2 -0.231 3.729 3.960 0.000 0.000 0.283 313 G HA3 -0.231 3.729 3.960 0.000 0.000 0.283 313 G C -0.207 174.690 174.900 -0.006 0.000 1.177 313 G CA 0.765 45.860 45.100 -0.010 0.000 0.978 313 G HN 1.344 nan 8.290 nan 0.000 0.554 314 K N 0.933 121.323 120.400 -0.016 0.000 2.450 314 K HA 0.694 5.014 4.320 0.000 0.000 0.257 314 K C 0.105 176.683 176.600 -0.036 0.000 0.953 314 K CA 0.673 56.942 56.287 -0.030 0.000 0.844 314 K CB 1.459 33.936 32.500 -0.039 0.000 1.103 314 K HN 1.387 nan 8.250 nan 0.000 0.429 315 T N -0.535 113.989 114.554 -0.050 0.000 2.681 315 T HA 0.660 5.010 4.350 0.000 0.000 0.296 315 T C -1.109 173.522 174.700 -0.114 0.000 1.157 315 T CA -0.767 61.292 62.100 -0.070 0.000 1.025 315 T CB 1.023 69.858 68.868 -0.055 0.000 1.441 315 T HN 0.165 nan 8.240 nan 0.000 0.504 316 V N 0.294 120.126 119.914 -0.136 0.000 2.864 316 V HA 0.856 4.976 4.120 0.000 0.000 0.314 316 V C -0.496 175.453 176.094 -0.240 0.000 1.073 316 V CA -0.991 61.194 62.300 -0.193 0.000 0.956 316 V CB 1.968 33.684 31.823 -0.178 0.000 1.023 316 V HN 0.977 nan 8.190 nan 0.000 0.435 317 R N 2.428 122.719 120.500 -0.349 0.000 2.797 317 R HA 0.414 4.754 4.340 0.000 0.000 0.274 317 R C -0.792 175.021 176.300 -0.813 0.000 1.652 317 R CA -0.342 55.440 56.100 -0.530 0.000 1.175 317 R CB 0.493 30.508 30.300 -0.475 0.000 1.283 317 R HN 0.772 nan 8.270 nan 0.000 0.513 318 N N 2.071 120.370 118.700 -0.668 0.000 2.467 318 N HA 0.351 5.091 4.740 0.000 0.000 0.262 318 N C -0.995 174.006 175.510 -0.849 0.000 1.234 318 N CA 0.485 53.179 53.050 -0.592 0.000 0.952 318 N CB 0.427 38.728 38.487 -0.309 0.000 1.158 318 N HN 0.201 nan 8.380 nan 0.000 0.463 319 F N -1.404 118.523 119.950 -0.039 0.000 2.608 319 F HA 0.264 4.791 4.527 0.000 0.000 0.309 319 F C 0.650 176.490 175.800 0.068 0.000 1.103 319 F CA -1.052 56.948 58.000 -0.000 0.000 0.954 319 F CB 0.949 39.924 39.000 -0.041 0.000 1.267 319 F HN 0.326 nan 8.300 nan 0.000 0.444 320 T N -0.935 113.768 114.554 0.248 0.000 2.802 320 T HA 0.548 4.898 4.350 0.000 0.000 0.305 320 T C -0.572 174.193 174.700 0.108 0.000 1.053 320 T CA -0.455 61.730 62.100 0.141 0.000 1.058 320 T CB 1.131 70.043 68.868 0.074 0.000 0.988 320 T HN 0.413 nan 8.240 nan 0.000 0.539 321 V N 3.156 123.095 119.914 0.041 0.000 2.398 321 V HA 0.220 4.340 4.120 0.000 0.000 0.282 321 V C 0.334 176.410 176.094 -0.030 0.000 1.014 321 V CA -0.749 61.557 62.300 0.009 0.000 0.838 321 V CB 1.208 33.044 31.823 0.022 0.000 1.018 321 V HN 1.105 nan 8.190 nan 0.000 0.432 322 D N 4.499 124.884 120.400 -0.024 0.000 2.370 322 D HA -0.106 4.534 4.640 0.000 0.000 0.256 322 D C 1.299 177.587 176.300 -0.019 0.000 1.197 322 D CA 0.366 54.349 54.000 -0.027 0.000 0.922 322 D CB -0.162 40.622 40.800 -0.027 0.000 0.911 322 D HN 0.718 nan 8.370 nan 0.000 0.517 323 R N -0.690 119.799 120.500 -0.019 0.000 3.621 323 R HA -0.237 4.103 4.340 0.000 0.000 0.410 323 R C -0.314 176.022 176.300 0.060 0.000 0.541 323 R CA 1.857 57.961 56.100 0.006 0.000 1.518 323 R CB -1.918 28.381 30.300 -0.002 0.000 2.022 323 R HN 0.213 nan 8.270 nan 0.000 0.356 324 D N 0.726 121.158 120.400 0.053 0.000 2.339 324 D HA 0.294 4.934 4.640 0.000 0.000 0.217 324 D C 1.115 177.473 176.300 0.097 0.000 1.050 324 D CA 1.446 55.505 54.000 0.098 0.000 0.856 324 D CB 0.766 41.599 40.800 0.055 0.000 0.922 324 D HN 0.760 nan 8.370 nan 0.000 0.518 325 G N 0.692 109.505 108.800 0.021 0.000 2.645 325 G HA2 0.007 3.967 3.960 0.000 0.000 0.239 325 G HA3 0.007 3.967 3.960 0.000 0.000 0.239 325 G C -0.688 174.089 174.900 -0.204 0.000 1.331 325 G CA -0.198 44.795 45.100 -0.179 0.000 0.890 325 G HN 0.737 nan 8.290 nan 0.000 0.572 326 L N -4.013 117.026 121.223 -0.306 0.000 2.789 326 L HA 0.842 5.182 4.340 0.000 0.000 0.254 326 L C -0.815 175.932 176.870 -0.206 0.000 0.952 326 L CA -0.545 54.172 54.840 -0.204 0.000 0.942 326 L CB 1.721 43.701 42.059 -0.133 0.000 1.502 326 L HN 1.059 nan 8.230 nan 0.000 0.425 327 E N 1.550 121.648 120.200 -0.169 0.000 2.266 327 E HA 0.563 4.913 4.350 0.000 0.000 0.277 327 E C -1.819 174.728 176.600 -0.088 0.000 1.018 327 E CA -0.742 55.561 56.400 -0.161 0.000 0.840 327 E CB 1.207 30.828 29.700 -0.132 0.000 1.082 327 E HN 0.715 nan 8.360 nan 0.000 0.395 328 Y N 3.790 124.020 120.300 -0.117 0.000 2.354 328 Y HA 0.445 4.995 4.550 0.000 0.000 0.330 328 Y C -1.082 174.809 175.900 -0.016 0.000 1.011 328 Y CA -1.431 56.607 58.100 -0.105 0.000 1.099 328 Y CB 0.635 39.020 38.460 -0.126 0.000 1.179 328 Y HN 0.198 nan 8.280 nan 0.000 0.442 329 I N 2.441 123.089 120.570 0.130 0.000 2.440 329 I HA 0.240 4.410 4.170 0.000 0.000 0.294 329 I C -1.017 175.283 176.117 0.305 0.000 0.995 329 I CA -0.513 60.869 61.300 0.138 0.000 1.306 329 I CB 1.365 39.385 38.000 0.034 0.000 1.407 329 I HN 0.979 nan 8.210 nan 0.000 0.501 330 W N 5.832 127.188 121.300 0.093 0.000 2.387 330 W HA 0.571 5.231 4.660 0.000 0.000 0.285 330 W C 0.376 176.834 176.519 -0.102 0.000 1.011 330 W CA -0.657 56.682 57.345 -0.009 0.000 1.576 330 W CB 0.821 30.284 29.460 0.005 0.000 1.540 330 W HN 0.907 nan 8.180 nan 0.000 0.383 331 G N 5.475 113.990 108.800 -0.474 0.000 2.546 331 G HA2 -0.304 3.656 3.960 0.000 0.000 0.285 331 G HA3 -0.304 3.656 3.960 0.000 0.000 0.285 331 G C 0.428 175.191 174.900 -0.229 0.000 1.105 331 G CA 0.069 44.834 45.100 -0.559 0.000 1.189 331 G HN 1.746 nan 8.290 nan 0.000 0.534 332 N N -1.231 117.412 118.700 -0.094 0.000 2.693 332 N HA -0.268 4.472 4.740 0.000 0.000 0.250 332 N C 0.236 175.814 175.510 0.114 0.000 1.033 332 N CA 2.256 55.313 53.050 0.012 0.000 0.747 332 N CB -1.495 37.003 38.487 0.019 0.000 0.964 332 N HN 0.929 nan 8.380 nan 0.000 0.540 333 H N -0.003 119.049 119.070 -0.030 0.000 2.408 333 H HA 0.430 4.986 4.556 0.000 0.000 0.352 333 H C 0.596 175.932 175.328 0.014 0.000 1.607 333 H CA -0.064 56.004 56.048 0.032 0.000 1.445 333 H CB 0.489 30.334 29.762 0.139 0.000 1.664 333 H HN 0.223 nan 8.280 nan 0.000 0.605 334 E N 0.806 121.056 120.200 0.083 0.000 2.283 334 E HA 0.221 4.571 4.350 0.000 0.000 0.271 334 E C -2.140 174.469 176.600 0.014 0.000 1.031 334 E CA -1.970 54.444 56.400 0.024 0.000 0.868 334 E CB 0.483 30.171 29.700 -0.020 0.000 1.094 334 E HN 0.378 nan 8.360 nan 0.000 0.401 335 P HA 0.057 nan 4.420 nan 0.000 0.231 335 P C 0.056 177.242 177.300 -0.190 0.000 1.811 335 P CA -0.169 62.876 63.100 -0.091 0.000 1.051 335 P CB 0.028 31.689 31.700 -0.064 0.000 1.951 336 V N 3.280 123.015 119.914 -0.299 0.000 2.928 336 V HA 0.089 4.209 4.120 0.000 0.000 0.307 336 V C 0.342 176.151 176.094 -0.475 0.000 1.105 336 V CA 0.241 62.319 62.300 -0.371 0.000 1.223 336 V CB 0.109 31.678 31.823 -0.423 0.000 0.930 336 V HN 0.517 nan 8.190 nan 0.000 0.499 337 R N 4.512 124.844 120.500 -0.280 0.000 2.686 337 R HA 0.847 5.187 4.340 0.000 0.000 0.283 337 R C -1.925 174.228 176.300 -0.245 0.000 0.978 337 R CA -0.937 54.992 56.100 -0.285 0.000 0.897 337 R CB 2.045 32.173 30.300 -0.285 0.000 1.192 337 R HN 0.472 nan 8.270 nan 0.000 0.457 338 V N 2.173 121.932 119.914 -0.259 0.000 2.769 338 V HA 0.524 4.644 4.120 0.000 0.000 0.312 338 V C -0.962 174.955 176.094 -0.295 0.000 1.061 338 V CA -0.793 61.443 62.300 -0.105 0.000 0.931 338 V CB 1.415 33.329 31.823 0.151 0.000 1.010 338 V HN 0.696 nan 8.190 nan 0.000 0.433 339 Y N 0.721 121.042 120.300 0.035 0.000 2.730 339 Y HA 0.752 5.302 4.550 0.000 0.000 0.325 339 Y C 0.583 176.482 175.900 -0.002 0.000 1.132 339 Y CA -0.932 57.172 58.100 0.006 0.000 1.206 339 Y CB 1.611 40.060 38.460 -0.019 0.000 1.390 339 Y HN 0.593 nan 8.280 nan 0.000 0.555 340 A N 1.086 124.004 122.820 0.164 0.000 3.232 340 A HA 0.259 4.579 4.320 0.000 0.000 0.312 340 A C -0.215 177.378 177.584 0.015 0.000 1.185 340 A CA -0.776 51.287 52.037 0.043 0.000 1.011 340 A CB -0.811 18.175 19.000 -0.023 0.000 1.096 340 A HN 0.612 nan 8.150 nan 0.000 0.543 361 Y N 1.875 122.116 120.300 -0.098 0.000 2.327 361 Y HA 0.593 5.143 4.550 0.000 0.000 0.336 361 Y C 0.166 176.069 175.900 0.004 0.000 1.035 361 Y CA -0.981 57.036 58.100 -0.139 0.000 1.165 361 Y CB 1.433 39.677 38.460 -0.360 0.000 1.181 361 Y HN 0.382 nan 8.280 nan 0.000 0.494 362 E N 5.911 125.845 120.200 -0.444 0.000 2.115 362 E HA 0.110 4.460 4.350 0.000 0.000 0.282 362 E C -1.687 174.592 176.600 -0.535 0.000 0.987 362 E CA -0.434 55.752 56.400 -0.357 0.000 0.797 362 E CB 0.288 29.860 29.700 -0.214 0.000 1.086 362 E HN 0.815 nan 8.360 nan 0.000 0.397 363 H N 2.361 121.191 119.070 -0.399 0.000 2.489 363 H HA 0.593 5.149 4.556 0.000 0.000 0.343 363 H C -1.460 173.777 175.328 -0.150 0.000 1.086 363 H CA -0.477 55.394 56.048 -0.294 0.000 1.198 363 H CB 1.573 31.255 29.762 -0.133 0.000 1.490 363 H HN 0.446 nan 8.280 nan 0.000 0.504 364 A N 4.644 127.094 122.820 -0.617 0.000 2.277 364 A HA 0.559 4.879 4.320 0.000 0.000 0.318 364 A C -0.213 177.081 177.584 -0.483 0.000 1.339 364 A CA -0.104 51.678 52.037 -0.425 0.000 0.875 364 A CB -0.039 18.813 19.000 -0.247 0.000 1.158 364 A HN 0.842 nan 8.150 nan 0.000 0.514 365 T N -1.058 113.296 114.554 -0.334 0.000 2.807 365 T HA 0.843 5.193 4.350 0.000 0.000 0.277 365 T C -0.129 174.481 174.700 -0.151 0.000 1.006 365 T CA -0.179 61.818 62.100 -0.171 0.000 1.006 365 T CB 1.611 70.478 68.868 -0.003 0.000 1.274 365 T HN 1.081 nan 8.240 nan 0.000 0.569 366 T N -0.991 113.466 114.554 -0.162 0.000 2.985 366 T HA 0.562 4.912 4.350 0.000 0.000 0.315 366 T C -0.764 173.687 174.700 -0.413 0.000 1.001 366 T CA -0.678 61.290 62.100 -0.220 0.000 1.016 366 T CB 0.468 69.249 68.868 -0.145 0.000 0.993 366 T HN 0.568 nan 8.240 nan 0.000 0.454 367 V N 6.513 126.157 119.914 -0.449 0.000 2.432 367 V HA 0.424 4.544 4.120 0.000 0.000 0.275 367 V C -1.899 173.974 176.094 -0.368 0.000 1.043 367 V CA -2.066 59.869 62.300 -0.608 0.000 0.925 367 V CB 1.128 32.691 31.823 -0.433 0.000 0.985 367 V HN 0.759 nan 8.190 nan 0.000 0.466 368 P HA -0.004 nan 4.420 nan 0.000 0.265 368 P C -0.459 176.738 177.300 -0.172 0.000 1.193 368 P CA -0.116 62.868 63.100 -0.192 0.000 0.765 368 P CB 0.431 32.065 31.700 -0.111 0.000 0.823 369 N N 3.648 122.231 118.700 -0.194 0.000 2.466 369 N HA 0.182 4.922 4.740 0.000 0.000 0.263 369 N C -1.308 174.130 175.510 -0.121 0.000 1.178 369 N CA -0.036 52.898 53.050 -0.193 0.000 0.983 369 N CB -0.583 37.710 38.487 -0.324 0.000 1.331 369 N HN 0.042 nan 8.380 nan 0.000 0.500 370 V N 4.920 124.795 119.914 -0.066 0.000 2.610 370 V HA 0.320 4.440 4.120 0.000 0.000 0.288 370 V C -2.259 173.836 176.094 0.001 0.000 1.055 370 V CA -1.507 60.783 62.300 -0.016 0.000 0.902 370 V CB 1.826 33.645 31.823 -0.007 0.000 1.030 370 V HN 0.472 nan 8.190 nan 0.000 0.448 371 P HA 0.031 nan 4.420 nan 0.000 0.264 371 P C 0.516 177.832 177.300 0.025 0.000 1.173 371 P CA 0.775 63.891 63.100 0.028 0.000 0.761 371 P CB 0.298 32.023 31.700 0.042 0.000 0.794 372 Q N -0.793 119.027 119.800 0.034 0.000 2.217 372 Q HA -0.193 4.147 4.340 0.000 0.000 0.170 372 Q C 0.117 176.136 176.000 0.032 0.000 0.597 372 Q CA 1.263 57.086 55.803 0.033 0.000 1.426 372 Q CB -1.821 26.929 28.738 0.021 0.000 1.504 372 Q HN 0.421 nan 8.270 nan 0.000 0.860 373 I N 3.892 124.480 120.570 0.029 0.000 2.301 373 I HA 0.218 4.388 4.170 0.000 0.000 0.292 373 I C -1.622 174.537 176.117 0.072 0.000 1.046 373 I CA -2.476 58.847 61.300 0.038 0.000 1.282 373 I CB 0.302 38.315 38.000 0.022 0.000 1.409 373 I HN -0.098 nan 8.210 nan 0.000 0.484 374 P HA 0.059 nan 4.420 nan 0.000 0.271 374 P C -1.158 176.239 177.300 0.161 0.000 1.216 374 P CA -0.117 63.049 63.100 0.109 0.000 0.776 374 P CB 0.679 32.430 31.700 0.085 0.000 0.881 375 Y N 3.179 123.491 120.300 0.021 0.000 2.356 375 Y HA 0.270 4.820 4.550 0.000 0.000 0.334 375 Y C -0.050 175.862 175.900 0.021 0.000 0.958 375 Y CA -0.825 57.289 58.100 0.024 0.000 1.196 375 Y CB 1.023 39.488 38.460 0.009 0.000 1.137 375 Y HN 0.106 nan 8.280 nan 0.000 0.485 376 K N 4.963 125.178 120.400 -0.309 0.000 2.201 376 K HA 0.765 5.085 4.320 0.000 0.000 0.278 376 K C -0.763 175.483 176.600 -0.590 0.000 1.027 376 K CA -0.300 55.815 56.287 -0.286 0.000 0.909 376 K CB 1.373 33.832 32.500 -0.068 0.000 1.062 376 K HN 0.723 nan 8.250 nan 0.000 0.465 377 A N 3.181 125.658 122.820 -0.572 0.000 2.569 377 A HA 0.729 5.049 4.320 0.000 0.000 0.290 377 A C -1.329 175.917 177.584 -0.564 0.000 1.136 377 A CA -0.789 50.865 52.037 -0.638 0.000 0.710 377 A CB 1.313 20.206 19.000 -0.178 0.000 1.303 377 A HN 0.560 nan 8.150 nan 0.000 0.413 378 L N 1.515 122.488 121.223 -0.418 0.000 2.325 378 L HA 0.406 4.746 4.340 0.000 0.000 0.281 378 L C -0.839 175.976 176.870 -0.092 0.000 1.004 378 L CA -0.965 53.751 54.840 -0.207 0.000 0.823 378 L CB 1.802 43.809 42.059 -0.085 0.000 1.236 378 L HN 0.512 nan 8.230 nan 0.000 0.415 379 V N 3.143 122.982 119.914 -0.124 0.000 2.415 379 V HA 0.119 4.239 4.120 0.000 0.000 0.267 379 V C 0.277 176.392 176.094 0.035 0.000 1.042 379 V CA -0.505 61.729 62.300 -0.111 0.000 1.000 379 V CB 0.387 32.177 31.823 -0.055 0.000 1.015 379 V HN 0.612 nan 8.190 nan 0.000 0.478 380 E N 5.485 125.737 120.200 0.088 0.000 2.055 380 E HA 0.476 4.826 4.350 0.000 0.000 0.274 380 E C -0.359 176.265 176.600 0.040 0.000 0.949 380 E CA -0.417 56.034 56.400 0.085 0.000 0.775 380 E CB 2.129 31.897 29.700 0.113 0.000 1.097 380 E HN 0.551 nan 8.360 nan 0.000 0.404 381 R N 1.025 121.507 120.500 -0.031 0.000 2.621 381 R HA 0.514 4.854 4.340 0.000 0.000 0.292 381 R C -0.681 175.627 176.300 0.014 0.000 0.969 381 R CA -0.635 55.382 56.100 -0.139 0.000 0.887 381 R CB 1.689 31.691 30.300 -0.498 0.000 1.180 381 R HN 0.561 nan 8.270 nan 0.000 0.450 382 A N 1.950 124.779 122.820 0.014 0.000 2.567 382 A HA 0.340 4.660 4.320 0.000 0.000 0.240 382 A C 1.325 178.942 177.584 0.055 0.000 1.053 382 A CA 1.168 53.225 52.037 0.034 0.000 0.755 382 A CB -0.506 18.506 19.000 0.019 0.000 0.978 382 A HN 1.108 nan 8.150 nan 0.000 0.507 383 G N 1.266 110.063 108.800 -0.005 0.000 2.377 383 G HA2 -0.326 3.634 3.960 0.000 0.000 0.250 383 G HA3 -0.326 3.634 3.960 0.000 0.000 0.250 383 G C 0.288 175.099 174.900 -0.148 0.000 1.039 383 G CA 1.011 46.052 45.100 -0.099 0.000 0.625 383 G HN 0.859 nan 8.290 nan 0.000 0.526 384 Y N 1.296 121.562 120.300 -0.057 0.000 2.300 384 Y HA 0.573 5.123 4.550 0.000 0.000 0.328 384 Y C 0.931 176.831 175.900 -0.001 0.000 1.270 384 Y CA -0.039 58.044 58.100 -0.029 0.000 1.352 384 Y CB 1.131 39.556 38.460 -0.058 0.000 1.286 384 Y HN 0.446 nan 8.280 nan 0.000 0.536 385 A N 4.291 127.228 122.820 0.196 0.000 2.276 385 A HA 0.426 4.746 4.320 0.000 0.000 0.300 385 A C -2.366 175.289 177.584 0.118 0.000 1.235 385 A CA -1.781 50.324 52.037 0.113 0.000 0.867 385 A CB -0.567 18.477 19.000 0.073 0.000 1.137 385 A HN 0.495 nan 8.150 nan 0.000 0.527 386 P HA -0.088 nan 4.420 nan 0.000 0.266 386 P C -0.622 176.693 177.300 0.026 0.000 1.162 386 P CA 0.537 63.672 63.100 0.057 0.000 0.758 386 P CB 0.445 32.172 31.700 0.044 0.000 0.774 387 L N 2.703 123.926 121.223 0.001 0.000 2.322 387 L HA 0.298 4.638 4.340 0.000 0.000 0.281 387 L C 0.626 177.445 176.870 -0.085 0.000 1.014 387 L CA -1.047 53.758 54.840 -0.057 0.000 0.815 387 L CB 1.357 43.360 42.059 -0.094 0.000 1.247 387 L HN 0.285 nan 8.230 nan 0.000 0.421 388 N N 4.103 122.751 118.700 -0.086 0.000 2.386 388 N HA 0.060 4.800 4.740 0.000 0.000 0.273 388 N C -1.160 174.315 175.510 -0.057 0.000 1.331 388 N CA 0.318 53.321 53.050 -0.079 0.000 0.891 388 N CB 0.154 38.598 38.487 -0.072 0.000 1.139 388 N HN 0.368 nan 8.380 nan 0.000 0.487 389 L N 3.468 124.644 121.223 -0.079 0.000 2.446 389 L HA 0.406 4.746 4.340 0.000 0.000 0.268 389 L C -1.065 175.781 176.870 -0.040 0.000 0.975 389 L CA -0.474 54.340 54.840 -0.045 0.000 0.848 389 L CB 1.252 43.272 42.059 -0.066 0.000 1.225 389 L HN 0.679 nan 8.230 nan 0.000 0.410 390 E N 5.241 125.449 120.200 0.012 0.000 2.246 390 E HA 0.657 5.007 4.350 0.000 0.000 0.266 390 E C -1.493 175.151 176.600 0.073 0.000 0.880 390 E CA -0.697 55.724 56.400 0.035 0.000 0.762 390 E CB 1.933 31.648 29.700 0.025 0.000 1.180 390 E HN 0.523 nan 8.360 nan 0.000 0.416 391 I N 2.993 123.632 120.570 0.115 0.000 2.406 391 I HA 0.312 4.482 4.170 0.000 0.000 0.290 391 I C -0.445 175.726 176.117 0.090 0.000 0.999 391 I CA -0.850 60.502 61.300 0.087 0.000 1.124 391 I CB 2.166 40.215 38.000 0.081 0.000 1.289 391 I HN 0.645 nan 8.210 nan 0.000 0.441 392 T N 3.606 118.200 114.554 0.067 0.000 2.809 392 T HA 0.478 4.828 4.350 0.000 0.000 0.296 392 T C -0.219 174.512 174.700 0.050 0.000 1.015 392 T CA -0.662 61.480 62.100 0.070 0.000 0.954 392 T CB 1.388 70.310 68.868 0.090 0.000 0.950 392 T HN 0.343 nan 8.240 nan 0.000 0.450 396 S N 2.955 118.672 115.700 0.028 0.000 2.536 396 S HA 0.853 5.323 4.470 0.000 0.000 0.298 396 S C -1.076 173.542 174.600 0.030 0.000 1.083 396 S CA -0.776 57.430 58.200 0.010 0.000 0.995 396 S CB 1.865 65.068 63.200 0.006 0.000 1.058 396 S HN 0.756 nan 8.310 nan 0.000 0.488 397 E N 0.715 120.922 120.200 0.011 0.000 2.293 397 E HA 0.513 4.863 4.350 0.000 0.000 0.270 397 E C -1.545 175.085 176.600 0.050 0.000 0.879 397 E CA -0.972 55.448 56.400 0.033 0.000 0.756 397 E CB 2.454 32.154 29.700 0.000 0.000 1.208 397 E HN 0.488 nan 8.360 nan 0.000 0.428 398 V N 3.753 123.730 119.914 0.104 0.000 2.284 398 V HA 0.250 4.370 4.120 0.000 0.000 0.274 398 V C -0.917 175.241 176.094 0.107 0.000 1.023 398 V CA -0.647 61.730 62.300 0.128 0.000 0.808 398 V CB 0.372 32.318 31.823 0.204 0.000 1.035 398 V HN 0.431 nan 8.190 nan 0.000 0.445 399 L N 8.248 129.504 121.223 0.056 0.000 2.283 399 L HA 0.567 4.907 4.340 0.000 0.000 0.281 399 L C -2.205 174.665 176.870 0.001 0.000 1.033 399 L CA -1.329 53.524 54.840 0.022 0.000 0.848 399 L CB 1.112 43.190 42.059 0.031 0.000 1.226 399 L HN 0.372 nan 8.230 nan 0.000 0.429 400 P HA 0.339 nan 4.420 nan 0.000 0.285 400 P C -0.843 176.409 177.300 -0.080 0.000 1.269 400 P CA -0.789 62.261 63.100 -0.084 0.000 0.844 400 P CB 1.618 33.215 31.700 -0.172 0.000 1.094 401 S N -0.105 115.572 115.700 -0.039 0.000 2.505 401 S HA 0.374 4.844 4.470 0.000 0.000 0.276 401 S C 0.379 174.965 174.600 -0.023 0.000 1.274 401 S CA -0.363 57.830 58.200 -0.012 0.000 1.053 401 S CB -0.506 62.712 63.200 0.030 0.000 0.919 401 S HN 0.620 nan 8.310 nan 0.000 0.490 402 T N 0.740 115.273 114.554 -0.035 0.000 2.772 402 T HA 0.438 4.788 4.350 0.000 0.000 0.288 402 T C -0.849 173.836 174.700 -0.026 0.000 0.994 402 T CA -0.937 61.135 62.100 -0.046 0.000 0.951 402 T CB 0.037 68.859 68.868 -0.077 0.000 0.933 402 T HN 0.502 nan 8.240 nan 0.000 0.447 403 N N 4.089 122.780 118.700 -0.015 0.000 2.645 403 N HA 0.182 4.922 4.740 0.000 0.000 0.233 403 N C -0.154 175.336 175.510 -0.032 0.000 1.058 403 N CA -0.369 52.673 53.050 -0.013 0.000 0.942 403 N CB 1.025 39.518 38.487 0.010 0.000 1.210 403 N HN 0.655 nan 8.380 nan 0.000 0.512 404 Q N 1.028 120.795 119.800 -0.056 0.000 2.300 404 Q HA -0.069 4.271 4.340 0.000 0.000 0.280 404 Q C 0.293 176.235 176.000 -0.096 0.000 1.033 404 Q CA 0.704 56.448 55.803 -0.097 0.000 0.903 404 Q CB 0.832 29.514 28.738 -0.092 0.000 1.195 404 Q HN 0.557 nan 8.270 nan 0.000 0.386 405 E N 3.166 123.266 120.200 -0.165 0.000 2.083 405 E HA 0.037 4.387 4.350 0.000 0.000 0.193 405 E C -0.674 175.918 176.600 -0.014 0.000 0.950 405 E CA 0.881 57.233 56.400 -0.080 0.000 0.849 405 E CB 0.323 29.980 29.700 -0.072 0.000 0.827 405 E HN 0.607 nan 8.360 nan 0.000 0.465 406 Y N -2.246 118.005 120.300 -0.082 0.000 2.689 406 Y HA 0.564 5.114 4.550 0.000 0.000 0.333 406 Y C -0.618 175.211 175.900 -0.119 0.000 1.190 406 Y CA -1.613 56.453 58.100 -0.057 0.000 1.063 406 Y CB 0.489 39.003 38.460 0.090 0.000 1.294 406 Y HN -0.251 nan 8.280 nan 0.000 0.466 407 I N 0.997 121.623 120.570 0.093 0.000 2.783 407 I HA 0.681 4.851 4.170 0.000 0.000 0.312 407 I C 0.136 176.263 176.117 0.016 0.000 0.988 407 I CA -0.392 60.882 61.300 -0.044 0.000 1.182 407 I CB 1.625 39.532 38.000 -0.156 0.000 1.368 407 I HN 0.859 nan 8.210 nan 0.000 0.511 408 T N 3.357 117.812 114.554 -0.165 0.000 2.885 408 T HA 0.736 5.086 4.350 0.000 0.000 0.322 408 T C -1.031 173.320 174.700 -0.582 0.000 1.387 408 T CA -0.292 61.628 62.100 -0.301 0.000 1.041 408 T CB 0.633 69.254 68.868 -0.411 0.000 1.287 408 T HN 0.917 nan 8.240 nan 0.000 0.491 409 c N 1.278 119.574 118.600 -0.506 0.000 3.260 409 c HA 0.654 5.224 4.570 0.000 0.000 0.366 409 c C -1.058 172.987 174.090 -0.075 0.000 1.537 409 c CA -1.463 54.491 56.329 -0.626 0.000 1.160 409 c CB 0.409 42.745 42.510 -0.290 0.000 1.760 409 c HN 0.996 nan 8.230 nan 0.000 0.432 410 K N 1.371 121.865 120.400 0.157 0.000 2.402 410 K HA 0.425 4.745 4.320 0.000 0.000 0.285 410 K C -0.245 176.362 176.600 0.012 0.000 1.054 410 K CA 0.308 56.645 56.287 0.083 0.000 1.001 410 K CB 0.031 32.602 32.500 0.118 0.000 0.946 410 K HN 0.516 nan 8.250 nan 0.000 0.473 411 F N -0.185 119.825 119.950 0.100 0.000 2.375 411 F HA 0.417 4.944 4.527 0.000 0.000 0.313 411 F C 0.231 176.082 175.800 0.086 0.000 1.176 411 F CA -0.745 57.298 58.000 0.072 0.000 1.142 411 F CB 0.488 39.513 39.000 0.042 0.000 1.275 411 F HN 0.141 nan 8.300 nan 0.000 0.544 412 T N 0.111 114.911 114.554 0.409 0.000 2.861 412 T HA 0.474 4.824 4.350 0.000 0.000 0.287 412 T C -0.820 174.054 174.700 0.290 0.000 1.003 412 T CA -0.730 61.543 62.100 0.289 0.000 0.977 412 T CB 1.396 70.383 68.868 0.197 0.000 0.996 412 T HN 0.831 nan 8.240 nan 0.000 0.448 413 T N 0.943 115.626 114.554 0.215 0.000 2.744 413 T HA 0.591 4.941 4.350 0.000 0.000 0.291 413 T C 0.023 174.629 174.700 -0.157 0.000 0.957 413 T CA -0.748 61.358 62.100 0.010 0.000 1.002 413 T CB 0.639 69.533 68.868 0.044 0.000 0.919 413 T HN 0.298 nan 8.240 nan 0.000 0.468 414 V N 3.583 123.238 119.914 -0.431 0.000 2.439 414 V HA 0.453 4.573 4.120 0.000 0.000 0.282 414 V C -0.047 175.759 176.094 -0.480 0.000 1.039 414 V CA -0.794 61.195 62.300 -0.518 0.000 0.913 414 V CB 1.535 32.817 31.823 -0.901 0.000 0.983 414 V HN 0.826 nan 8.190 nan 0.000 0.460 415 V N 6.260 126.028 119.914 -0.242 0.000 2.327 415 V HA 0.339 4.459 4.120 0.000 0.000 0.272 415 V C -2.284 173.782 176.094 -0.046 0.000 1.019 415 V CA -1.355 60.847 62.300 -0.164 0.000 0.814 415 V CB 1.094 32.829 31.823 -0.146 0.000 1.040 415 V HN 0.819 nan 8.190 nan 0.000 0.440 416 P HA 0.291 nan 4.420 nan 0.000 0.275 416 P C 0.237 177.575 177.300 0.063 0.000 1.227 416 P CA -0.058 63.086 63.100 0.072 0.000 0.781 416 P CB 0.638 32.427 31.700 0.149 0.000 0.906 417 S N 4.063 119.799 115.700 0.061 0.000 2.593 417 S HA 0.054 4.524 4.470 0.000 0.000 0.300 417 S C -1.810 172.839 174.600 0.081 0.000 1.267 417 S CA -0.429 57.811 58.200 0.067 0.000 1.065 417 S CB -0.742 62.496 63.200 0.063 0.000 0.807 417 S HN 0.420 nan 8.310 nan 0.000 0.499 418 P HA 0.132 nan 4.420 nan 0.000 0.271 418 P C -0.823 176.544 177.300 0.111 0.000 1.216 418 P CA -0.374 62.792 63.100 0.110 0.000 0.771 418 P CB 0.458 32.241 31.700 0.138 0.000 0.864 419 K N 3.828 124.290 120.400 0.104 0.000 2.310 419 K HA 0.271 4.591 4.320 0.000 0.000 0.290 419 K C 0.337 177.002 176.600 0.108 0.000 1.077 419 K CA -0.449 55.895 56.287 0.094 0.000 0.922 419 K CB -0.113 32.434 32.500 0.078 0.000 1.057 419 K HN 0.478 nan 8.250 nan 0.000 0.479 420 I N -0.670 119.972 120.570 0.120 0.000 2.404 420 I HA 0.401 4.571 4.170 0.000 0.000 0.293 420 I C -0.174 176.012 176.117 0.114 0.000 0.992 420 I CA -0.547 60.839 61.300 0.143 0.000 1.149 420 I CB 1.593 39.723 38.000 0.217 0.000 1.315 420 I HN 0.272 nan 8.210 nan 0.000 0.446 421 K N 6.185 126.648 120.400 0.105 0.000 2.367 421 K HA 0.399 4.719 4.320 0.000 0.000 0.263 421 K C -1.086 175.571 176.600 0.095 0.000 1.000 421 K CA -0.569 55.769 56.287 0.084 0.000 0.891 421 K CB 1.180 33.718 32.500 0.065 0.000 1.117 421 K HN 0.958 nan 8.250 nan 0.000 0.443 422 c N 5.874 124.531 118.600 0.095 0.000 2.667 422 c HA 0.140 4.710 4.570 0.000 0.000 0.385 422 c C 0.406 174.553 174.090 0.095 0.000 1.299 422 c CA 0.111 56.504 56.329 0.107 0.000 1.554 422 c CB -2.273 40.299 42.510 0.103 0.000 2.275 422 c HN 1.025 nan 8.230 nan 0.000 0.588 423 c N 4.428 123.082 118.600 0.090 0.000 4.689 423 c HA 0.096 4.666 4.570 0.000 0.000 0.305 423 c C 0.684 174.809 174.090 0.058 0.000 1.194 423 c CA 0.449 56.822 56.329 0.074 0.000 2.314 423 c CB -2.591 39.980 42.510 0.101 0.000 1.188 423 c HN 1.406 nan 8.230 nan 0.000 0.746 424 G N -0.172 108.660 108.800 0.053 0.000 2.600 424 G HA2 0.801 4.761 3.960 0.000 0.000 0.293 424 G HA3 0.801 4.761 3.960 0.000 0.000 0.293 424 G C -0.693 174.228 174.900 0.036 0.000 1.408 424 G CA 0.335 45.459 45.100 0.041 0.000 0.782 424 G HN 1.161 nan 8.290 nan 0.000 0.482 425 S N -0.675 115.042 115.700 0.027 0.000 2.508 425 S HA 0.701 5.171 4.470 0.000 0.000 0.284 425 S C -0.342 174.270 174.600 0.020 0.000 1.192 425 S CA -0.682 57.531 58.200 0.021 0.000 1.070 425 S CB 1.630 64.838 63.200 0.013 0.000 1.004 425 S HN 0.535 nan 8.310 nan 0.000 0.493 426 L N 2.260 123.493 121.223 0.016 0.000 2.502 426 L HA 0.335 4.675 4.340 0.000 0.000 0.247 426 L C -0.122 176.749 176.870 0.002 0.000 1.180 426 L CA -0.124 54.726 54.840 0.017 0.000 0.956 426 L CB 0.687 42.764 42.059 0.029 0.000 1.282 426 L HN 0.801 nan 8.230 nan 0.000 0.470 427 E N 1.623 121.823 120.200 -0.001 0.000 2.081 427 E HA 0.018 4.368 4.350 0.000 0.000 0.270 427 E C 0.149 176.748 176.600 -0.002 0.000 1.180 427 E CA -0.249 56.145 56.400 -0.010 0.000 0.926 427 E CB 0.842 30.537 29.700 -0.009 0.000 1.035 427 E HN 0.512 nan 8.360 nan 0.000 0.418 428 c N 3.880 122.477 118.600 -0.006 0.000 2.679 428 c HA 0.073 4.643 4.570 0.000 0.000 0.417 428 c C 0.265 174.374 174.090 0.032 0.000 1.302 428 c CA -0.229 56.112 56.329 0.021 0.000 1.973 428 c CB 0.204 42.724 42.510 0.016 0.000 2.715 428 c HN 0.760 nan 8.230 nan 0.000 0.628 429 Q N 4.045 123.879 119.800 0.055 0.000 2.337 429 Q HA 0.451 4.791 4.340 0.000 0.000 0.266 429 Q C -2.434 173.606 176.000 0.068 0.000 1.023 429 Q CA -1.553 54.274 55.803 0.040 0.000 0.829 429 Q CB 1.603 30.347 28.738 0.011 0.000 1.306 429 Q HN 0.655 nan 8.270 nan 0.000 0.449 430 P HA -0.005 nan 4.420 nan 0.000 0.252 430 P C -1.391 175.879 177.300 -0.048 0.000 1.183 430 P CA 0.351 63.487 63.100 0.061 0.000 0.973 430 P CB 0.035 31.751 31.700 0.027 0.000 0.990 431 A N 3.999 126.688 122.820 -0.218 0.000 2.923 431 A HA 0.513 4.833 4.320 0.000 0.000 0.306 431 A C 0.891 178.234 177.584 -0.401 0.000 1.542 431 A CA -0.505 51.273 52.037 -0.432 0.000 1.225 431 A CB -0.460 18.125 19.000 -0.692 0.000 1.147 431 A HN 0.540 nan 8.150 nan 0.000 0.542 432 A N 4.090 126.807 122.820 -0.172 0.000 2.532 432 A HA 0.440 4.760 4.320 0.000 0.000 0.269 432 A C 0.545 178.110 177.584 -0.032 0.000 1.079 432 A CA 1.026 53.011 52.037 -0.086 0.000 0.800 432 A CB -0.719 18.250 19.000 -0.053 0.000 1.000 432 A HN 1.401 nan 8.150 nan 0.000 0.522 433 H N -0.245 118.725 119.070 -0.167 0.000 2.876 433 H HA 0.532 5.088 4.556 0.000 0.000 0.284 433 H C 0.541 175.830 175.328 -0.064 0.000 1.445 433 H CA -0.152 55.807 56.048 -0.149 0.000 1.141 433 H CB 0.223 29.833 29.762 -0.254 0.000 1.816 433 H HN 1.358 nan 8.280 nan 0.000 0.511 434 A N 0.439 123.110 122.820 -0.249 0.000 3.214 434 A HA -0.260 4.060 4.320 0.000 0.000 0.519 434 A C 1.453 178.931 177.584 -0.176 0.000 1.190 434 A CA 2.762 54.699 52.037 -0.167 0.000 1.775 434 A CB -1.848 17.130 19.000 -0.038 0.000 1.015 434 A HN 1.542 nan 8.150 nan 0.000 0.582 435 G N -2.542 106.166 108.800 -0.154 0.000 4.649 435 G HA2 0.464 4.424 3.960 0.000 0.000 0.312 435 G HA3 0.464 4.424 3.960 0.000 0.000 0.312 435 G C -0.312 174.526 174.900 -0.103 0.000 1.403 435 G CA 0.190 45.206 45.100 -0.140 0.000 1.248 435 G HN 0.649 nan 8.290 nan 0.000 0.581 436 Y N 2.584 122.733 120.300 -0.253 0.000 2.411 436 Y HA 0.477 5.027 4.550 0.000 0.000 0.333 436 Y C 0.464 176.302 175.900 -0.104 0.000 1.186 436 Y CA -0.004 57.983 58.100 -0.189 0.000 1.381 436 Y CB 1.140 39.469 38.460 -0.219 0.000 1.273 436 Y HN 0.296 nan 8.280 nan 0.000 0.546 437 T N 3.775 117.865 114.554 -0.773 0.000 3.041 437 T HA 0.519 4.869 4.350 0.000 0.000 0.321 437 T C -0.914 173.343 174.700 -0.739 0.000 1.184 437 T CA -0.946 60.786 62.100 -0.614 0.000 1.050 437 T CB -0.020 68.668 68.868 -0.299 0.000 1.159 437 T HN 0.916 nan 8.240 nan 0.000 0.469 438 c N 1.296 119.596 118.600 -0.501 0.000 2.913 438 c HA 0.961 5.531 4.570 0.000 0.000 0.322 438 c C -1.219 172.739 174.090 -0.220 0.000 1.292 438 c CA -0.648 55.494 56.329 -0.312 0.000 1.649 438 c CB 1.415 43.828 42.510 -0.160 0.000 2.139 438 c HN 1.208 nan 8.230 nan 0.000 0.475 439 K N 1.509 121.764 120.400 -0.241 0.000 2.542 439 K HA 0.575 4.895 4.320 0.000 0.000 0.259 439 K C -1.706 174.543 176.600 -0.584 0.000 0.932 439 K CA -0.450 55.575 56.287 -0.437 0.000 0.820 439 K CB 2.508 34.656 32.500 -0.588 0.000 1.345 439 K HN 0.719 nan 8.250 nan 0.000 0.432 440 V N 4.081 123.673 119.914 -0.536 0.000 2.385 440 V HA 0.411 4.531 4.120 0.000 0.000 0.269 440 V C -0.661 175.132 176.094 -0.501 0.000 1.043 440 V CA -0.463 61.612 62.300 -0.375 0.000 0.906 440 V CB 0.022 31.735 31.823 -0.183 0.000 0.995 440 V HN 0.475 nan 8.190 nan 0.000 0.467 441 F N 2.841 122.780 119.950 -0.017 0.000 2.444 441 F HA 0.747 5.274 4.527 0.000 0.000 0.342 441 F C 0.856 176.632 175.800 -0.040 0.000 1.121 441 F CA -0.613 57.367 58.000 -0.033 0.000 0.997 441 F CB 1.831 40.802 39.000 -0.049 0.000 1.130 441 F HN 0.577 nan 8.300 nan 0.000 0.454 442 G N 0.389 109.279 108.800 0.149 0.000 2.434 442 G HA2 0.471 4.431 3.960 0.000 0.000 0.330 442 G HA3 0.471 4.431 3.960 0.000 0.000 0.330 442 G C 0.408 175.333 174.900 0.041 0.000 1.155 442 G CA -0.501 44.640 45.100 0.069 0.000 0.917 442 G HN 1.165 nan 8.290 nan 0.000 0.493 443 G N -0.505 108.307 108.800 0.020 0.000 2.350 443 G HA2 -0.140 3.820 3.960 0.000 0.000 0.298 443 G HA3 -0.140 3.820 3.960 0.000 0.000 0.298 443 G C 0.826 175.703 174.900 -0.037 0.000 1.037 443 G CA 0.350 45.453 45.100 0.004 0.000 1.074 443 G HN 0.903 nan 8.290 nan 0.000 0.511 444 V N -0.652 119.213 119.914 -0.081 0.000 2.278 444 V HA 0.122 4.242 4.120 0.000 0.000 0.231 444 V C 1.243 177.159 176.094 -0.298 0.000 1.048 444 V CA 1.334 63.461 62.300 -0.289 0.000 1.015 444 V CB -0.563 30.978 31.823 -0.470 0.000 0.652 444 V HN 0.394 nan 8.190 nan 0.000 0.466 445 Y N 0.519 120.864 120.300 0.075 0.000 2.330 445 Y HA 0.402 4.952 4.550 0.000 0.000 0.336 445 Y C -1.676 174.282 175.900 0.097 0.000 1.036 445 Y CA -2.739 55.412 58.100 0.084 0.000 1.125 445 Y CB 0.538 39.058 38.460 0.101 0.000 1.194 445 Y HN 0.144 nan 8.280 nan 0.000 0.469 446 P HA -0.001 nan 4.420 nan 0.000 0.216 446 P C -0.498 176.990 177.300 0.313 0.000 1.156 446 P CA 1.069 64.285 63.100 0.194 0.000 0.855 446 P CB 0.870 32.654 31.700 0.141 0.000 0.786 450 G N 1.005 109.784 108.800 -0.036 0.000 2.187 450 G HA2 -0.178 3.782 3.960 0.000 0.000 0.261 450 G HA3 -0.178 3.782 3.960 0.000 0.000 0.261 450 G C 0.758 175.631 174.900 -0.046 0.000 1.000 450 G CA 0.925 45.998 45.100 -0.046 0.000 0.718 450 G HN 1.168 nan 8.290 nan 0.000 0.519 451 G N -0.351 108.399 108.800 -0.084 0.000 2.726 451 G HA2 0.669 4.629 3.960 0.000 0.000 0.221 451 G HA3 0.669 4.629 3.960 0.000 0.000 0.221 451 G C 0.538 175.245 174.900 -0.321 0.000 1.327 451 G CA 1.146 46.142 45.100 -0.173 0.000 0.884 451 G HN 1.720 nan 8.290 nan 0.000 0.581 452 A N -0.536 122.037 122.820 -0.413 0.000 2.422 452 A HA 0.714 5.034 4.320 0.000 0.000 0.302 452 A C -1.329 176.217 177.584 -0.063 0.000 1.041 452 A CA -0.525 51.322 52.037 -0.316 0.000 0.708 452 A CB 1.733 20.387 19.000 -0.577 0.000 1.257 452 A HN 0.216 nan 8.150 nan 0.000 0.414 453 Q N 0.447 120.258 119.800 0.018 0.000 2.314 453 Q HA 0.533 4.873 4.340 0.000 0.000 0.257 453 Q C -0.376 175.723 176.000 0.165 0.000 0.975 453 Q CA 0.182 56.075 55.803 0.150 0.000 0.933 453 Q CB 1.326 30.115 28.738 0.085 0.000 1.195 453 Q HN 0.792 nan 8.270 nan 0.000 0.426 454 c N 2.195 120.954 118.600 0.265 0.000 3.336 454 c HA 0.562 5.132 4.570 0.000 0.000 0.339 454 c C -0.288 173.824 174.090 0.036 0.000 1.468 454 c CA -0.493 55.932 56.329 0.160 0.000 1.287 454 c CB 0.723 43.351 42.510 0.197 0.000 1.682 454 c HN 0.905 nan 8.230 nan 0.000 0.451 455 F N 1.249 121.117 119.950 -0.136 0.000 2.557 455 F HA 0.468 4.995 4.527 0.000 0.000 0.278 455 F C 0.880 176.611 175.800 -0.116 0.000 1.051 455 F CA 0.055 57.903 58.000 -0.254 0.000 1.357 455 F CB -0.358 38.528 39.000 -0.189 0.000 1.104 455 F HN 0.665 nan 8.300 nan 0.000 0.654 456 c N 1.902 120.380 118.600 -0.204 0.000 2.382 456 c HA 0.320 4.890 4.570 0.000 0.000 0.363 456 c C 1.251 175.290 174.090 -0.085 0.000 1.213 456 c CA -0.565 55.607 56.329 -0.261 0.000 2.363 456 c CB 1.088 43.529 42.510 -0.115 0.000 2.397 456 c HN 0.430 nan 8.230 nan 0.000 0.573 457 D N 0.615 120.968 120.400 -0.079 0.000 2.584 457 D HA -0.014 4.626 4.640 0.000 0.000 0.254 457 D C 1.840 178.149 176.300 0.015 0.000 1.085 457 D CA 1.263 55.264 54.000 0.002 0.000 0.971 457 D CB -0.386 40.410 40.800 -0.005 0.000 1.103 457 D HN 0.665 nan 8.370 nan 0.000 0.453 458 S N -0.256 115.442 115.700 -0.004 0.000 2.614 458 S HA 0.201 4.671 4.470 0.000 0.000 0.230 458 S C 0.509 175.113 174.600 0.005 0.000 0.952 458 S CA -0.247 57.955 58.200 0.004 0.000 0.949 458 S CB -0.083 63.118 63.200 0.000 0.000 0.786 458 S HN 0.109 nan 8.310 nan 0.000 0.478 459 E N 1.292 121.495 120.200 0.005 0.000 2.939 459 E HA 0.312 4.662 4.350 0.000 0.000 0.215 459 E C -0.872 175.749 176.600 0.034 0.000 1.025 459 E CA -0.337 56.071 56.400 0.014 0.000 1.259 459 E CB 0.252 29.955 29.700 0.005 0.000 1.228 459 E HN 0.317 nan 8.360 nan 0.000 0.443 460 N N 0.748 119.473 118.700 0.042 0.000 2.432 460 N HA 0.426 5.166 4.740 0.000 0.000 0.292 460 N C -1.047 174.494 175.510 0.053 0.000 1.193 460 N CA -0.492 52.597 53.050 0.065 0.000 0.878 460 N CB 1.837 40.379 38.487 0.092 0.000 1.252 460 N HN 0.052 nan 8.380 nan 0.000 0.520 461 S N -0.829 114.912 115.700 0.069 0.000 2.562 461 S HA 0.405 4.875 4.470 0.000 0.000 0.274 461 S C -1.043 173.610 174.600 0.088 0.000 1.160 461 S CA -0.932 57.307 58.200 0.064 0.000 0.933 461 S CB 1.886 65.115 63.200 0.049 0.000 1.100 461 S HN 0.591 nan 8.310 nan 0.000 0.468 465 E N 1.651 121.847 120.200 -0.006 0.000 2.266 465 E HA 0.919 5.269 4.350 0.000 0.000 0.268 465 E C -0.660 175.897 176.600 -0.073 0.000 0.879 465 E CA -1.352 54.997 56.400 -0.085 0.000 0.762 465 E CB 2.156 31.917 29.700 0.102 0.000 1.199 465 E HN 0.644 nan 8.360 nan 0.000 0.422 466 A N 1.629 124.343 122.820 -0.177 0.000 2.605 466 A HA 0.653 4.973 4.320 0.000 0.000 0.294 466 A C -1.844 175.692 177.584 -0.079 0.000 1.062 466 A CA -0.852 51.090 52.037 -0.160 0.000 0.682 466 A CB 0.883 19.650 19.000 -0.389 0.000 1.278 466 A HN 0.791 nan 8.150 nan 0.000 0.410 467 Y N -1.256 118.980 120.300 -0.106 0.000 2.829 467 Y HA 0.840 5.390 4.550 0.000 0.000 0.322 467 Y C -0.517 175.328 175.900 -0.091 0.000 1.357 467 Y CA -1.097 56.937 58.100 -0.111 0.000 1.081 467 Y CB 0.861 39.282 38.460 -0.066 0.000 1.339 467 Y HN 1.287 nan 8.280 nan 0.000 0.469 468 V N -1.564 118.396 119.914 0.077 0.000 2.864 468 V HA 0.822 4.942 4.120 0.000 0.000 0.314 468 V C -0.742 175.480 176.094 0.213 0.000 1.073 468 V CA -0.697 61.620 62.300 0.029 0.000 0.956 468 V CB 1.742 33.467 31.823 -0.164 0.000 1.023 468 V HN 1.007 nan 8.190 nan 0.000 0.435 469 E N 1.946 122.273 120.200 0.211 0.000 2.504 469 E HA 0.661 5.011 4.350 0.000 0.000 0.235 469 E C -1.270 175.451 176.600 0.202 0.000 0.827 469 E CA -1.126 55.408 56.400 0.224 0.000 0.903 469 E CB 2.007 31.849 29.700 0.238 0.000 1.622 469 E HN 0.659 nan 8.360 nan 0.000 0.392 470 L N 0.622 121.943 121.223 0.163 0.000 2.379 470 L HA 0.348 4.688 4.340 0.000 0.000 0.269 470 L C 0.498 177.465 176.870 0.162 0.000 1.084 470 L CA -0.524 54.401 54.840 0.142 0.000 0.802 470 L CB 1.356 43.467 42.059 0.086 0.000 1.175 470 L HN 0.342 nan 8.230 nan 0.000 0.448 471 S N 0.519 116.316 115.700 0.162 0.000 2.593 471 S HA 0.239 4.709 4.470 0.000 0.000 0.269 471 S C 1.186 175.898 174.600 0.187 0.000 1.334 471 S CA 0.062 58.386 58.200 0.207 0.000 1.015 471 S CB 1.317 64.649 63.200 0.219 0.000 0.912 471 S HN 0.697 nan 8.310 nan 0.000 0.541 472 A N 2.403 125.359 122.820 0.228 0.000 2.131 472 A HA -0.060 4.260 4.320 0.000 0.000 0.220 472 A C 1.058 178.690 177.584 0.081 0.000 1.158 472 A CA 1.690 53.799 52.037 0.120 0.000 0.665 472 A CB -0.317 18.707 19.000 0.040 0.000 0.795 472 A HN 0.824 nan 8.150 nan 0.000 0.460 473 D N -2.555 117.925 120.400 0.134 0.000 2.503 473 D HA 0.125 4.765 4.640 0.000 0.000 0.218 473 D C 1.113 177.491 176.300 0.130 0.000 1.183 473 D CA -0.177 53.893 54.000 0.116 0.000 0.827 473 D CB -0.575 40.313 40.800 0.147 0.000 1.034 473 D HN 0.296 nan 8.370 nan 0.000 0.510 474 c N 1.268 119.942 118.600 0.125 0.000 2.392 474 c HA -0.223 4.347 4.570 0.000 0.000 0.276 474 c C 2.815 176.990 174.090 0.142 0.000 1.212 474 c CA 1.670 58.063 56.329 0.106 0.000 1.791 474 c CB -0.742 41.801 42.510 0.056 0.000 2.063 474 c HN 0.463 nan 8.230 nan 0.000 0.481 475 A N -1.529 121.359 122.820 0.113 0.000 1.898 475 A HA -0.150 4.170 4.320 0.000 0.000 0.216 475 A C 2.343 180.066 177.584 0.231 0.000 1.181 475 A CA 2.133 54.252 52.037 0.137 0.000 0.620 475 A CB -0.893 18.142 19.000 0.059 0.000 0.819 475 A HN 0.524 nan 8.150 nan 0.000 0.442 476 S N -1.214 114.563 115.700 0.127 0.000 2.453 476 S HA -0.054 4.416 4.470 0.000 0.000 0.231 476 S C 0.054 174.666 174.600 0.020 0.000 1.005 476 S CA 0.948 59.185 58.200 0.062 0.000 0.949 476 S CB -0.165 63.051 63.200 0.026 0.000 0.774 476 S HN 0.556 nan 8.310 nan 0.000 0.510 477 D N 0.785 121.228 120.400 0.072 0.000 2.336 477 D HA 0.251 4.891 4.640 0.000 0.000 0.248 477 D C -0.461 175.896 176.300 0.095 0.000 1.326 477 D CA -0.539 53.496 54.000 0.059 0.000 0.973 477 D CB 0.439 41.368 40.800 0.214 0.000 1.255 477 D HN 0.553 nan 8.370 nan 0.000 0.558 478 H N 0.354 119.375 119.070 -0.082 0.000 3.199 478 H HA 0.934 5.490 4.556 0.000 0.000 0.292 478 H C -1.320 173.846 175.328 -0.269 0.000 1.600 478 H CA -1.199 54.663 56.048 -0.311 0.000 1.235 478 H CB 0.940 30.543 29.762 -0.264 0.000 1.839 478 H HN 0.259 nan 8.280 nan 0.000 0.623 479 A N -0.087 122.684 122.820 -0.083 0.000 2.524 479 A HA 0.523 4.843 4.320 0.000 0.000 0.286 479 A C -1.465 176.154 177.584 0.060 0.000 1.203 479 A CA -0.894 51.169 52.037 0.043 0.000 0.736 479 A CB 2.013 21.140 19.000 0.212 0.000 1.322 479 A HN 0.648 nan 8.150 nan 0.000 0.424 480 Q N 0.284 120.090 119.800 0.009 0.000 2.414 480 Q HA 0.547 4.887 4.340 0.000 0.000 0.256 480 Q C -0.585 175.232 176.000 -0.304 0.000 0.974 480 Q CA -0.604 55.131 55.803 -0.113 0.000 0.723 480 Q CB 1.954 30.663 28.738 -0.048 0.000 1.281 480 Q HN 0.992 nan 8.270 nan 0.000 0.470 481 A N 3.773 126.199 122.820 -0.655 0.000 2.488 481 A HA 0.532 4.852 4.320 0.000 0.000 0.249 481 A C -0.244 176.793 177.584 -0.911 0.000 1.083 481 A CA 0.305 51.499 52.037 -1.404 0.000 0.768 481 A CB 0.129 17.635 19.000 -2.490 0.000 1.017 481 A HN 0.778 nan 8.150 nan 0.000 0.496 482 I N 2.793 123.032 120.570 -0.552 0.000 2.611 482 I HA 0.169 4.339 4.170 0.000 0.000 0.287 482 I C -0.303 175.924 176.117 0.184 0.000 1.184 482 I CA -0.479 60.778 61.300 -0.073 0.000 1.054 482 I CB 2.028 39.981 38.000 -0.078 0.000 1.257 482 I HN 0.656 nan 8.210 nan 0.000 0.435 483 K N 4.563 125.031 120.400 0.114 0.000 2.154 483 K HA 0.626 4.946 4.320 0.000 0.000 0.264 483 K C -0.825 175.740 176.600 -0.059 0.000 1.008 483 K CA -0.611 55.633 56.287 -0.072 0.000 0.937 483 K CB 2.248 34.658 32.500 -0.150 0.000 1.002 483 K HN 0.237 nan 8.250 nan 0.000 0.469 484 V N 2.950 122.821 119.914 -0.072 0.000 2.445 484 V HA 0.085 4.205 4.120 0.000 0.000 0.283 484 V C -0.895 175.276 176.094 0.129 0.000 1.014 484 V CA -0.769 61.524 62.300 -0.011 0.000 0.852 484 V CB 0.934 32.710 31.823 -0.079 0.000 1.021 484 V HN 0.707 nan 8.190 nan 0.000 0.435 485 H N 2.423 121.508 119.070 0.025 0.000 2.496 485 H HA 0.601 5.157 4.556 0.000 0.000 0.342 485 H C 0.594 175.941 175.328 0.032 0.000 1.170 485 H CA -0.030 56.057 56.048 0.064 0.000 1.274 485 H CB 1.594 31.401 29.762 0.077 0.000 1.538 485 H HN 0.643 nan 8.280 nan 0.000 0.542 486 T N 1.525 115.726 114.554 -0.589 0.000 2.906 486 T HA 0.342 4.692 4.350 0.000 0.000 0.329 486 T C 0.475 175.076 174.700 -0.165 0.000 1.091 486 T CA 0.593 62.492 62.100 -0.334 0.000 1.127 486 T CB 0.212 68.854 68.868 -0.377 0.000 1.035 486 T HN 0.694 nan 8.240 nan 0.000 0.547 487 A N 1.011 123.788 122.820 -0.072 0.000 2.869 487 A HA 0.944 5.264 4.320 0.000 0.000 0.244 487 A C 0.119 177.716 177.584 0.021 0.000 1.374 487 A CA -0.260 51.769 52.037 -0.014 0.000 0.913 487 A CB 0.550 19.559 19.000 0.016 0.000 1.589 487 A HN 1.170 nan 8.150 nan 0.000 0.485 491 V N 0.381 120.181 119.914 -0.189 0.000 2.808 491 V HA 0.441 4.561 4.120 0.000 0.000 0.308 491 V C -0.113 175.907 176.094 -0.123 0.000 1.099 491 V CA -0.840 61.385 62.300 -0.124 0.000 0.920 491 V CB 1.990 33.734 31.823 -0.131 0.000 1.014 491 V HN 0.884 nan 8.190 nan 0.000 0.425 492 G N 4.789 113.573 108.800 -0.027 0.000 2.639 492 G HA2 0.500 4.460 3.960 0.000 0.000 0.312 492 G HA3 0.500 4.460 3.960 0.000 0.000 0.312 492 G C -0.432 174.341 174.900 -0.212 0.000 0.911 492 G CA -0.204 44.938 45.100 0.069 0.000 1.410 492 G HN 0.527 nan 8.290 nan 0.000 0.469 493 L N 2.630 123.444 121.223 -0.683 0.000 2.276 493 L HA 0.467 4.807 4.340 0.000 0.000 0.286 493 L C 0.460 176.899 176.870 -0.720 0.000 1.061 493 L CA -0.712 53.822 54.840 -0.511 0.000 0.807 493 L CB 1.487 43.321 42.059 -0.375 0.000 1.177 493 L HN 0.341 nan 8.230 nan 0.000 0.429 494 R N 4.951 125.373 120.500 -0.129 0.000 2.320 494 R HA 0.458 4.798 4.340 0.000 0.000 0.319 494 R C -1.309 175.032 176.300 0.067 0.000 0.969 494 R CA -0.662 55.522 56.100 0.140 0.000 0.857 494 R CB 0.793 31.355 30.300 0.438 0.000 1.160 494 R HN 0.448 nan 8.270 nan 0.000 0.491 495 I N 3.789 124.375 120.570 0.027 0.000 2.392 495 I HA 0.347 4.517 4.170 0.000 0.000 0.295 495 I C -0.144 176.043 176.117 0.117 0.000 0.985 495 I CA -0.836 60.478 61.300 0.024 0.000 1.221 495 I CB 1.985 39.938 38.000 -0.078 0.000 1.366 495 I HN 0.110 nan 8.210 nan 0.000 0.467 496 V N 6.486 126.483 119.914 0.138 0.000 2.487 496 V HA 0.478 4.598 4.120 0.000 0.000 0.298 496 V C -1.099 175.154 176.094 0.265 0.000 1.028 496 V CA -0.708 61.719 62.300 0.213 0.000 0.860 496 V CB 1.302 33.185 31.823 0.100 0.000 0.991 496 V HN 0.654 nan 8.190 nan 0.000 0.427 497 Y N 2.358 122.614 120.300 -0.072 0.000 2.329 497 Y HA 0.770 5.320 4.550 0.000 0.000 0.328 497 Y C 0.731 176.547 175.900 -0.139 0.000 0.992 497 Y CA -0.395 57.629 58.100 -0.127 0.000 1.151 497 Y CB 1.520 39.881 38.460 -0.166 0.000 1.150 497 Y HN 0.977 nan 8.280 nan 0.000 0.450 498 G N 3.484 112.204 108.800 -0.133 0.000 2.611 498 G HA2 -0.443 3.517 3.960 0.000 0.000 0.301 498 G HA3 -0.443 3.517 3.960 0.000 0.000 0.301 498 G C 0.362 175.151 174.900 -0.184 0.000 1.233 498 G CA 0.984 45.975 45.100 -0.182 0.000 0.993 498 G HN 0.725 nan 8.290 nan 0.000 0.553 499 N N 1.778 120.353 118.700 -0.210 0.000 2.521 499 N HA 0.218 4.958 4.740 0.000 0.000 0.188 499 N C 0.818 176.216 175.510 -0.187 0.000 1.146 499 N CA 1.525 54.480 53.050 -0.158 0.000 0.893 499 N CB 0.140 38.554 38.487 -0.122 0.000 0.975 499 N HN 0.979 nan 8.380 nan 0.000 0.451 500 T N -2.605 111.756 114.554 -0.321 0.000 2.863 500 T HA 0.572 4.922 4.350 0.000 0.000 0.285 500 T C -0.148 174.448 174.700 -0.173 0.000 1.009 500 T CA -0.960 60.959 62.100 -0.302 0.000 0.989 500 T CB 2.098 70.702 68.868 -0.439 0.000 1.004 500 T HN 0.039 nan 8.240 nan 0.000 0.455 501 T N -0.500 114.059 114.554 0.010 0.000 2.812 501 T HA 0.711 5.061 4.350 0.000 0.000 0.282 501 T C -0.447 174.365 174.700 0.186 0.000 0.990 501 T CA -0.619 61.563 62.100 0.137 0.000 0.960 501 T CB 1.564 70.484 68.868 0.087 0.000 0.948 501 T HN 0.729 nan 8.240 nan 0.000 0.438 502 S N 2.522 118.372 115.700 0.250 0.000 2.671 502 S HA 0.854 5.324 4.470 0.000 0.000 0.299 502 S C -1.887 172.840 174.600 0.212 0.000 1.116 502 S CA -0.868 57.459 58.200 0.212 0.000 0.912 502 S CB 1.352 64.677 63.200 0.208 0.000 1.130 502 S HN 0.765 nan 8.310 nan 0.000 0.501 503 F N 3.291 123.262 119.950 0.035 0.000 2.585 503 F HA 0.630 5.157 4.527 0.000 0.000 0.319 503 F C -1.732 174.072 175.800 0.007 0.000 1.165 503 F CA -0.877 57.133 58.000 0.015 0.000 0.949 503 F CB 1.068 40.077 39.000 0.015 0.000 1.218 503 F HN 0.544 nan 8.300 nan 0.000 0.453 504 L N 2.371 123.281 121.223 -0.523 0.000 2.370 504 L HA 0.756 5.096 4.340 0.000 0.000 0.266 504 L C -1.395 175.188 176.870 -0.479 0.000 1.002 504 L CA -0.782 53.883 54.840 -0.292 0.000 0.818 504 L CB 1.618 43.579 42.059 -0.163 0.000 1.325 504 L HN 0.357 nan 8.230 nan 0.000 0.418 505 D N 0.837 121.140 120.400 -0.163 0.000 2.264 505 D HA 0.639 5.279 4.640 0.000 0.000 0.249 505 D C -0.805 175.432 176.300 -0.105 0.000 1.070 505 D CA -0.022 53.899 54.000 -0.132 0.000 0.912 505 D CB 2.162 42.954 40.800 -0.013 0.000 1.193 505 D HN 0.613 nan 8.370 nan 0.000 0.427 506 V N 2.905 122.739 119.914 -0.132 0.000 2.711 506 V HA 0.295 4.415 4.120 0.000 0.000 0.304 506 V C -1.546 174.502 176.094 -0.076 0.000 1.097 506 V CA -0.660 61.607 62.300 -0.054 0.000 0.906 506 V CB 0.770 32.551 31.823 -0.070 0.000 1.015 506 V HN 0.504 nan 8.190 nan 0.000 0.427 507 Y N 4.232 124.507 120.300 -0.042 0.000 2.497 507 Y HA 0.271 4.821 4.550 0.000 0.000 0.334 507 Y C 0.844 176.717 175.900 -0.045 0.000 1.199 507 Y CA 0.241 58.321 58.100 -0.034 0.000 1.425 507 Y CB 1.170 39.615 38.460 -0.024 0.000 1.291 507 Y HN 0.444 nan 8.280 nan 0.000 0.562 508 V N 5.499 125.457 119.914 0.072 0.000 2.221 508 V HA 0.192 4.312 4.120 0.000 0.000 0.258 508 V C -0.658 175.453 176.094 0.028 0.000 1.179 508 V CA -0.347 61.962 62.300 0.014 0.000 1.022 508 V CB -1.182 30.619 31.823 -0.036 0.000 1.228 508 V HN 0.812 nan 8.190 nan 0.000 0.487 509 N N 2.300 121.018 118.700 0.029 0.000 2.494 509 N HA 0.329 5.069 4.740 0.000 0.000 0.270 509 N C 0.789 176.295 175.510 -0.006 0.000 1.285 509 N CA -0.383 52.674 53.050 0.011 0.000 0.812 509 N CB 1.550 40.048 38.487 0.019 0.000 1.557 509 N HN 0.159 nan 8.380 nan 0.000 0.487 510 G N -1.008 107.783 108.800 -0.015 0.000 2.740 510 G HA2 0.058 4.018 3.960 0.000 0.000 0.208 510 G HA3 0.058 4.018 3.960 0.000 0.000 0.208 510 G C 0.749 175.635 174.900 -0.024 0.000 1.148 510 G CA 1.348 46.434 45.100 -0.024 0.000 0.795 510 G HN 0.639 nan 8.290 nan 0.000 0.526 511 V N -3.564 116.339 119.914 -0.018 0.000 3.444 511 V HA 0.294 4.414 4.120 0.000 0.000 0.210 511 V C 1.117 177.198 176.094 -0.020 0.000 1.217 511 V CA 0.455 62.742 62.300 -0.022 0.000 1.302 511 V CB -0.531 31.276 31.823 -0.026 0.000 1.341 511 V HN -0.077 nan 8.190 nan 0.000 0.522 512 T N 4.853 119.396 114.554 -0.019 0.000 2.792 512 T HA 0.315 4.665 4.350 0.000 0.000 0.286 512 T C -2.424 172.280 174.700 0.005 0.000 0.970 512 T CA 0.162 62.251 62.100 -0.018 0.000 1.187 512 T CB 0.277 69.119 68.868 -0.043 0.000 0.915 512 T HN 0.512 nan 8.240 nan 0.000 0.529 513 P HA 0.312 nan 4.420 nan 0.000 0.285 513 P C 0.257 177.560 177.300 0.005 0.000 1.259 513 P CA -0.528 62.568 63.100 -0.008 0.000 0.794 513 P CB 0.677 32.368 31.700 -0.015 0.000 0.940 514 G N 1.704 110.500 108.800 -0.006 0.000 2.494 514 G HA2 0.185 4.145 3.960 0.000 0.000 0.297 514 G HA3 0.185 4.145 3.960 0.000 0.000 0.297 514 G C 0.627 175.525 174.900 -0.004 0.000 0.971 514 G CA -0.317 44.781 45.100 -0.004 0.000 1.378 514 G HN 0.510 nan 8.290 nan 0.000 0.456 515 T N 0.200 114.763 114.554 0.015 0.000 4.496 515 T HA 0.087 4.437 4.350 0.000 0.000 0.248 515 T C 1.021 175.733 174.700 0.020 0.000 0.797 515 T CA -0.153 61.956 62.100 0.015 0.000 1.100 515 T CB -0.284 68.597 68.868 0.021 0.000 1.356 515 T HN 0.273 nan 8.240 nan 0.000 0.727 516 S N 1.285 116.991 115.700 0.010 0.000 2.531 516 S HA 0.151 4.621 4.470 0.000 0.000 0.279 516 S C 1.555 176.169 174.600 0.023 0.000 1.305 516 S CA -0.857 57.354 58.200 0.019 0.000 1.058 516 S CB 0.532 63.731 63.200 -0.001 0.000 0.899 516 S HN 0.413 nan 8.310 nan 0.000 0.493 517 K N 3.532 123.954 120.400 0.036 0.000 1.991 517 K HA -0.095 4.225 4.320 0.000 0.000 0.212 517 K C 1.022 177.646 176.600 0.040 0.000 1.049 517 K CA 1.729 58.037 56.287 0.036 0.000 0.932 517 K CB -0.475 32.049 32.500 0.040 0.000 0.717 517 K HN 0.584 nan 8.250 nan 0.000 0.441 518 D N -0.393 120.040 120.400 0.054 0.000 2.349 518 D HA 0.132 4.772 4.640 0.000 0.000 0.215 518 D C -0.250 176.083 176.300 0.055 0.000 1.016 518 D CA 0.241 54.284 54.000 0.072 0.000 0.870 518 D CB 0.418 41.284 40.800 0.110 0.000 0.917 518 D HN -0.046 nan 8.370 nan 0.000 0.524 519 L N 0.859 122.089 121.223 0.012 0.000 2.441 519 L HA 0.350 4.690 4.340 0.000 0.000 0.270 519 L C -0.910 175.929 176.870 -0.051 0.000 0.973 519 L CA -0.675 54.134 54.840 -0.052 0.000 0.842 519 L CB 1.648 43.625 42.059 -0.137 0.000 1.239 519 L HN -0.333 nan 8.230 nan 0.000 0.406 520 K N 4.269 124.642 120.400 -0.045 0.000 2.250 520 K HA 0.458 4.778 4.320 0.000 0.000 0.280 520 K C -0.926 175.639 176.600 -0.059 0.000 1.098 520 K CA -0.397 55.866 56.287 -0.040 0.000 0.916 520 K CB 1.646 34.131 32.500 -0.024 0.000 1.209 520 K HN 0.220 nan 8.250 nan 0.000 0.461 521 V N 4.984 124.859 119.914 -0.066 0.000 2.581 521 V HA 0.479 4.599 4.120 0.000 0.000 0.303 521 V C -0.137 175.920 176.094 -0.061 0.000 1.041 521 V CA -0.853 61.400 62.300 -0.077 0.000 0.907 521 V CB 1.742 33.503 31.823 -0.103 0.000 0.994 521 V HN 0.628 nan 8.190 nan 0.000 0.442 522 I N 3.258 123.791 120.570 -0.062 0.000 2.447 522 I HA 0.602 4.772 4.170 0.000 0.000 0.287 522 I C 0.053 176.133 176.117 -0.062 0.000 1.023 522 I CA -0.678 60.591 61.300 -0.051 0.000 1.083 522 I CB 1.974 39.947 38.000 -0.045 0.000 1.245 522 I HN 0.671 nan 8.210 nan 0.000 0.434 523 A N 5.445 128.232 122.820 -0.056 0.000 2.294 523 A HA 0.669 4.989 4.320 0.000 0.000 0.316 523 A C 0.610 178.159 177.584 -0.058 0.000 1.359 523 A CA -0.348 51.647 52.037 -0.070 0.000 0.956 523 A CB 0.171 19.123 19.000 -0.079 0.000 1.155 523 A HN 0.851 nan 8.150 nan 0.000 0.544 524 G N 2.734 111.494 108.800 -0.068 0.000 2.794 524 G HA2 0.372 4.332 3.960 0.000 0.000 0.249 524 G HA3 0.372 4.332 3.960 0.000 0.000 0.249 524 G C -2.619 172.249 174.900 -0.053 0.000 1.236 524 G CA -0.800 44.266 45.100 -0.058 0.000 0.880 524 G HN 0.506 nan 8.290 nan 0.000 0.586 525 P HA 0.081 nan 4.420 nan 0.000 0.267 525 P C 0.391 177.662 177.300 -0.048 0.000 1.209 525 P CA -0.427 62.653 63.100 -0.032 0.000 0.763 525 P CB 0.635 32.322 31.700 -0.021 0.000 0.816 526 I N 3.109 123.647 120.570 -0.054 0.000 3.058 526 I HA -0.168 4.002 4.170 0.000 0.000 0.299 526 I C 1.516 177.594 176.117 -0.065 0.000 1.238 526 I CA 0.937 62.184 61.300 -0.088 0.000 1.423 526 I CB 0.491 38.428 38.000 -0.104 0.000 1.330 526 I HN 0.440 nan 8.210 nan 0.000 0.589 527 S N 4.924 120.569 115.700 -0.091 0.000 2.453 527 S HA 0.295 4.765 4.470 0.000 0.000 0.231 527 S C 0.582 175.176 174.600 -0.009 0.000 1.005 527 S CA 0.304 58.470 58.200 -0.056 0.000 0.949 527 S CB -0.290 62.864 63.200 -0.076 0.000 0.774 527 S HN 1.082 nan 8.310 nan 0.000 0.510 528 A N 1.668 124.500 122.820 0.020 0.000 2.497 528 A HA 0.604 4.924 4.320 0.000 0.000 0.280 528 A C -0.130 177.577 177.584 0.206 0.000 1.065 528 A CA -0.595 51.505 52.037 0.104 0.000 0.781 528 A CB 0.851 19.923 19.000 0.120 0.000 1.289 528 A HN 0.544 nan 8.150 nan 0.000 0.415 529 S N 1.609 117.407 115.700 0.162 0.000 2.571 529 S HA 0.445 4.915 4.470 0.000 0.000 0.297 529 S C -0.439 174.316 174.600 0.258 0.000 1.234 529 S CA 0.149 58.457 58.200 0.180 0.000 1.120 529 S CB -0.442 62.816 63.200 0.096 0.000 0.923 529 S HN 1.303 nan 8.310 nan 0.000 0.504 530 F N 2.264 122.296 119.950 0.137 0.000 2.565 530 F HA 0.676 5.203 4.527 0.000 0.000 0.313 530 F C -0.435 175.335 175.800 -0.050 0.000 1.091 530 F CA -0.382 57.598 58.000 -0.034 0.000 0.915 530 F CB 2.190 40.978 39.000 -0.354 0.000 1.208 530 F HN 0.603 nan 8.300 nan 0.000 0.453 531 T N 5.692 119.508 114.554 -1.231 0.000 2.909 531 T HA 0.488 4.838 4.350 0.000 0.000 0.299 531 T C -2.420 171.530 174.700 -1.250 0.000 1.073 531 T CA -1.930 59.615 62.100 -0.925 0.000 0.999 531 T CB 2.019 70.746 68.868 -0.235 0.000 1.098 531 T HN 0.454 nan 8.240 nan 0.000 0.477 532 P HA 0.221 nan 4.420 nan 0.000 0.231 532 P C -0.317 176.607 177.300 -0.625 0.000 1.168 532 P CA 0.433 63.089 63.100 -0.740 0.000 0.779 532 P CB 0.023 31.171 31.700 -0.920 0.000 0.844 533 F N -0.162 119.697 119.950 -0.152 0.000 2.450 533 F HA 0.410 4.938 4.527 0.000 0.000 0.328 533 F C 0.927 176.706 175.800 -0.034 0.000 1.068 533 F CA -0.962 57.004 58.000 -0.057 0.000 1.007 533 F CB 0.401 39.382 39.000 -0.031 0.000 1.251 533 F HN -0.336 nan 8.300 nan 0.000 0.492 534 D N -1.160 119.370 120.400 0.217 0.000 2.326 534 D HA 0.114 4.754 4.640 0.000 0.000 0.251 534 D C 0.903 177.300 176.300 0.163 0.000 1.023 534 D CA -0.291 53.800 54.000 0.152 0.000 0.966 534 D CB 0.847 41.717 40.800 0.116 0.000 1.156 534 D HN 0.671 nan 8.370 nan 0.000 0.494 535 H N 0.822 119.930 119.070 0.063 0.000 2.437 535 H HA -0.116 4.440 4.556 0.000 0.000 0.296 535 H C -0.178 175.170 175.328 0.032 0.000 1.121 535 H CA 1.717 57.796 56.048 0.052 0.000 1.255 535 H CB 0.346 30.118 29.762 0.016 0.000 1.366 535 H HN 0.042 nan 8.280 nan 0.000 0.512 536 K N 0.076 120.391 120.400 -0.143 0.000 2.345 536 K HA 0.530 4.850 4.320 0.000 0.000 0.255 536 K C -1.638 175.023 176.600 0.101 0.000 0.934 536 K CA -0.852 55.316 56.287 -0.198 0.000 0.801 536 K CB 2.838 34.983 32.500 -0.592 0.000 1.137 536 K HN -0.055 nan 8.250 nan 0.000 0.424 537 V N 2.961 123.070 119.914 0.325 0.000 2.888 537 V HA 0.398 4.518 4.120 0.000 0.000 0.309 537 V C -0.869 175.405 176.094 0.299 0.000 1.114 537 V CA -0.930 61.554 62.300 0.307 0.000 0.940 537 V CB 2.332 34.278 31.823 0.206 0.000 1.021 537 V HN 0.455 nan 8.190 nan 0.000 0.426 538 V N 4.980 125.046 119.914 0.253 0.000 2.547 538 V HA 0.570 4.690 4.120 0.000 0.000 0.299 538 V C -0.367 175.859 176.094 0.219 0.000 1.040 538 V CA -0.533 61.821 62.300 0.089 0.000 0.913 538 V CB 1.930 33.633 31.823 -0.201 0.000 0.992 538 V HN 0.653 nan 8.190 nan 0.000 0.449 539 I N 3.094 123.754 120.570 0.149 0.000 2.382 539 I HA 0.368 4.538 4.170 0.000 0.000 0.286 539 I C 0.559 176.836 176.117 0.267 0.000 1.002 539 I CA -0.378 61.045 61.300 0.206 0.000 1.135 539 I CB 1.518 39.576 38.000 0.097 0.000 1.288 539 I HN 0.800 nan 8.210 nan 0.000 0.448 540 H N 5.979 125.275 119.070 0.378 0.000 2.366 540 H HA 0.210 4.766 4.556 0.000 0.000 0.330 540 H C 1.838 177.282 175.328 0.193 0.000 1.142 540 H CA 1.421 57.699 56.048 0.384 0.000 1.655 540 H CB 0.476 30.602 29.762 0.608 0.000 1.519 540 H HN 0.473 nan 8.280 nan 0.000 0.609 541 R N -1.306 119.443 120.500 0.414 0.000 1.981 541 R HA 0.216 4.556 4.340 0.000 0.000 0.207 541 R C 1.777 178.143 176.300 0.110 0.000 1.375 541 R CA 0.979 57.197 56.100 0.196 0.000 1.068 541 R CB -0.299 30.186 30.300 0.310 0.000 0.890 541 R HN 0.527 nan 8.270 nan 0.000 0.481 542 G N -0.431 108.439 108.800 0.116 0.000 3.324 542 G HA2 0.249 4.209 3.960 0.000 0.000 0.251 542 G HA3 0.249 4.209 3.960 0.000 0.000 0.251 542 G C -0.619 174.314 174.900 0.055 0.000 1.072 542 G CA -0.225 44.915 45.100 0.067 0.000 0.787 542 G HN -0.025 nan 8.290 nan 0.000 0.537 543 L N 1.136 122.411 121.223 0.087 0.000 2.322 543 L HA 0.615 4.955 4.340 0.000 0.000 0.281 543 L C -0.117 176.698 176.870 -0.092 0.000 1.014 543 L CA -1.078 53.731 54.840 -0.052 0.000 0.815 543 L CB 2.209 44.220 42.059 -0.080 0.000 1.247 543 L HN -0.084 nan 8.230 nan 0.000 0.421 544 V N 2.208 121.993 119.914 -0.216 0.000 2.513 544 V HA 0.642 4.762 4.120 0.000 0.000 0.299 544 V C -1.311 174.631 176.094 -0.253 0.000 1.035 544 V CA -0.330 61.933 62.300 -0.062 0.000 0.889 544 V CB 1.391 33.283 31.823 0.114 0.000 0.988 544 V HN 0.583 nan 8.190 nan 0.000 0.440 545 Y N 2.704 123.141 120.300 0.229 0.000 2.425 545 Y HA 0.478 5.028 4.550 0.000 0.000 0.344 545 Y C 0.438 176.484 175.900 0.243 0.000 0.969 545 Y CA -0.791 57.446 58.100 0.228 0.000 1.052 545 Y CB 1.655 40.292 38.460 0.294 0.000 1.215 545 Y HN 0.673 nan 8.280 nan 0.000 0.451 546 N N 2.448 121.359 118.700 0.351 0.000 2.416 546 N HA 0.122 4.862 4.740 0.000 0.000 0.265 546 N C -1.716 174.002 175.510 0.346 0.000 1.195 546 N CA 0.031 53.255 53.050 0.290 0.000 0.943 546 N CB 0.317 38.917 38.487 0.188 0.000 1.115 546 N HN 0.485 nan 8.380 nan 0.000 0.481 547 Y N 1.512 121.902 120.300 0.149 0.000 2.401 547 Y HA 0.157 4.707 4.550 0.000 0.000 0.330 547 Y C -0.982 174.927 175.900 0.016 0.000 1.071 547 Y CA -1.211 56.944 58.100 0.093 0.000 1.049 547 Y CB 1.266 39.748 38.460 0.036 0.000 1.239 547 Y HN 0.373 nan 8.280 nan 0.000 0.437 548 D N 6.580 126.651 120.400 -0.547 0.000 3.032 548 D HA 0.098 4.738 4.640 0.000 0.000 0.241 548 D C -0.240 175.709 176.300 -0.586 0.000 1.196 548 D CA 0.113 53.808 54.000 -0.508 0.000 0.927 548 D CB -1.027 39.579 40.800 -0.323 0.000 1.129 548 D HN 0.337 nan 8.370 nan 0.000 0.458 549 F N -0.054 119.701 119.950 -0.325 0.000 2.646 549 F HA 0.193 4.720 4.527 0.000 0.000 0.363 549 F C -1.986 173.919 175.800 0.175 0.000 1.143 549 F CA -1.902 56.147 58.000 0.083 0.000 1.356 549 F CB -0.740 38.495 39.000 0.391 0.000 1.055 549 F HN 0.014 nan 8.300 nan 0.000 0.606 550 P HA 0.045 nan 4.420 nan 0.000 0.274 550 P C -0.520 177.036 177.300 0.427 0.000 1.237 550 P CA -0.238 63.030 63.100 0.280 0.000 0.793 550 P CB 0.694 32.526 31.700 0.220 0.000 0.977 551 E N 0.560 120.912 120.200 0.254 0.000 2.418 551 E HA -0.050 4.300 4.350 0.000 0.000 0.261 551 E C -0.144 176.643 176.600 0.312 0.000 1.070 551 E CA -0.027 56.563 56.400 0.316 0.000 0.931 551 E CB -0.045 29.766 29.700 0.185 0.000 0.954 551 E HN 0.422 nan 8.360 nan 0.000 0.439 552 Y N 0.627 121.091 120.300 0.273 0.000 2.805 552 Y HA 0.093 4.643 4.550 0.000 0.000 0.331 552 Y C 1.438 177.335 175.900 -0.006 0.000 1.241 552 Y CA 1.786 59.924 58.100 0.064 0.000 1.546 552 Y CB 0.108 38.654 38.460 0.143 0.000 1.248 552 Y HN 0.702 nan 8.280 nan 0.000 0.559 553 G N 2.885 111.299 108.800 -0.643 0.000 2.199 553 G HA2 -0.196 3.764 3.960 0.000 0.000 0.254 553 G HA3 -0.196 3.764 3.960 0.000 0.000 0.254 553 G C 0.112 174.890 174.900 -0.204 0.000 0.982 553 G CA 0.138 44.967 45.100 -0.453 0.000 0.632 553 G HN 1.278 nan 8.290 nan 0.000 0.529 557 P HA 0.201 nan 4.420 nan 0.000 0.286 557 P C 0.617 177.976 177.300 0.099 0.000 1.261 557 P CA 0.282 63.411 63.100 0.048 0.000 0.821 557 P CB 1.217 32.926 31.700 0.016 0.000 1.013 558 G N 0.861 109.745 108.800 0.141 0.000 2.353 558 G HA2 -0.268 3.692 3.960 0.000 0.000 0.258 558 G HA3 -0.268 3.692 3.960 0.000 0.000 0.258 558 G C 0.516 175.534 174.900 0.197 0.000 1.013 558 G CA 0.429 45.632 45.100 0.171 0.000 0.622 558 G HN 0.907 nan 8.290 nan 0.000 0.535 559 A N -0.179 122.761 122.820 0.200 0.000 2.257 559 A HA 0.710 5.030 4.320 0.000 0.000 0.289 559 A C 0.189 177.978 177.584 0.342 0.000 1.095 559 A CA -0.007 52.197 52.037 0.279 0.000 0.836 559 A CB 0.400 19.554 19.000 0.256 0.000 1.111 559 A HN 1.383 nan 8.150 nan 0.000 0.497 560 F N 0.710 120.856 119.950 0.326 0.000 2.602 560 F HA 0.379 4.906 4.527 0.000 0.000 0.367 560 F C 1.409 177.374 175.800 0.274 0.000 1.126 560 F CA 1.448 59.624 58.000 0.293 0.000 1.321 560 F CB 0.312 39.436 39.000 0.207 0.000 1.094 560 F HN 1.228 nan 8.300 nan 0.000 0.594 561 G N 4.283 112.746 108.800 -0.561 0.000 2.147 561 G HA2 -0.355 3.605 3.960 0.000 0.000 0.244 561 G HA3 -0.355 3.605 3.960 0.000 0.000 0.244 561 G C 0.717 175.529 174.900 -0.145 0.000 1.005 561 G CA 0.481 45.399 45.100 -0.304 0.000 0.713 561 G HN 0.913 nan 8.290 nan 0.000 0.515 562 D N -0.042 120.321 120.400 -0.061 0.000 2.133 562 D HA -0.119 4.521 4.640 0.000 0.000 0.195 562 D C 1.570 177.809 176.300 -0.102 0.000 0.997 562 D CA 1.629 55.616 54.000 -0.021 0.000 0.840 562 D CB -0.175 40.679 40.800 0.091 0.000 0.947 562 D HN 1.189 nan 8.370 nan 0.000 0.452 563 I N -2.760 117.749 120.570 -0.101 0.000 2.603 563 I HA 0.491 4.661 4.170 0.000 0.000 0.300 563 I C -1.102 174.892 176.117 -0.205 0.000 1.017 563 I CA -0.925 60.293 61.300 -0.136 0.000 1.098 563 I CB 2.242 40.221 38.000 -0.034 0.000 1.279 563 I HN -0.202 nan 8.210 nan 0.000 0.437 564 Q N 4.015 123.677 119.800 -0.229 0.000 2.495 564 Q HA 0.890 5.230 4.340 0.000 0.000 0.287 564 Q C -1.500 174.497 176.000 -0.005 0.000 1.078 564 Q CA -1.314 54.348 55.803 -0.234 0.000 0.793 564 Q CB 2.682 31.051 28.738 -0.614 0.000 1.459 564 Q HN 0.974 nan 8.270 nan 0.000 0.422 565 A N -0.194 122.711 122.820 0.142 0.000 2.560 565 A HA 0.367 4.687 4.320 0.000 0.000 0.300 565 A C 0.234 177.891 177.584 0.121 0.000 1.062 565 A CA -0.409 51.709 52.037 0.134 0.000 0.767 565 A CB 0.638 19.660 19.000 0.038 0.000 1.288 565 A HN 0.771 nan 8.150 nan 0.000 0.396 566 T N -0.802 113.782 114.554 0.050 0.000 2.881 566 T HA 0.209 4.559 4.350 0.000 0.000 0.270 566 T C 0.983 175.657 174.700 -0.042 0.000 1.068 566 T CA 1.808 63.889 62.100 -0.032 0.000 1.131 566 T CB -0.133 68.672 68.868 -0.106 0.000 0.871 566 T HN 1.089 nan 8.240 nan 0.000 0.479 567 S N -1.286 114.389 115.700 -0.041 0.000 2.724 567 S HA 0.523 4.993 4.470 0.000 0.000 0.278 567 S C -0.080 174.469 174.600 -0.085 0.000 1.190 567 S CA -0.750 57.404 58.200 -0.076 0.000 0.860 567 S CB 0.739 63.895 63.200 -0.072 0.000 1.206 567 S HN 0.052 nan 8.310 nan 0.000 0.507 568 L N 1.865 123.017 121.223 -0.117 0.000 2.313 568 L HA 0.078 4.418 4.340 0.000 0.000 0.214 568 L C 2.060 178.896 176.870 -0.057 0.000 1.119 568 L CA 1.520 56.289 54.840 -0.117 0.000 0.809 568 L CB -2.120 39.848 42.059 -0.152 0.000 0.933 568 L HN 0.903 nan 8.230 nan 0.000 0.449 569 T N -2.062 112.465 114.554 -0.045 0.000 3.565 569 T HA 0.056 4.406 4.350 0.000 0.000 0.248 569 T C 0.970 175.662 174.700 -0.013 0.000 1.033 569 T CA 0.391 62.476 62.100 -0.025 0.000 0.952 569 T CB -1.053 67.800 68.868 -0.025 0.000 1.072 569 T HN 0.421 nan 8.240 nan 0.000 0.609 570 S N 0.094 115.788 115.700 -0.009 0.000 3.447 570 S HA -0.215 4.255 4.470 0.000 0.000 0.371 570 S C -0.131 174.475 174.600 0.009 0.000 0.951 570 S CA 0.434 58.639 58.200 0.009 0.000 1.269 570 S CB -2.293 60.923 63.200 0.025 0.000 0.919 570 S HN 0.863 nan 8.310 nan 0.000 0.516 571 K N 1.660 122.061 120.400 0.002 0.000 2.111 571 K HA 0.302 4.622 4.320 0.000 0.000 0.249 571 K C -0.199 176.415 176.600 0.024 0.000 1.157 571 K CA -0.148 56.140 56.287 0.000 0.000 1.048 571 K CB -0.406 32.083 32.500 -0.019 0.000 1.498 571 K HN 0.550 nan 8.250 nan 0.000 0.344 572 D N 1.630 122.050 120.400 0.034 0.000 3.187 572 D HA -0.133 4.507 4.640 0.000 0.000 0.244 572 D C -0.849 175.512 176.300 0.101 0.000 1.114 572 D CA 0.513 54.550 54.000 0.062 0.000 0.920 572 D CB -0.887 39.956 40.800 0.072 0.000 0.970 572 D HN 0.302 nan 8.370 nan 0.000 0.418 573 L N -0.423 120.837 121.223 0.061 0.000 2.281 573 L HA 0.597 4.937 4.340 0.000 0.000 0.285 573 L C 0.450 177.311 176.870 -0.015 0.000 1.074 573 L CA -0.711 54.154 54.840 0.041 0.000 0.817 573 L CB 0.214 42.291 42.059 0.030 0.000 1.168 573 L HN 0.301 nan 8.230 nan 0.000 0.434 574 I N 0.864 121.383 120.570 -0.084 0.000 2.382 574 I HA 0.966 5.136 4.170 0.000 0.000 0.285 574 I C -0.089 175.900 176.117 -0.213 0.000 1.007 574 I CA -0.731 60.466 61.300 -0.171 0.000 1.142 574 I CB 1.442 39.269 38.000 -0.288 0.000 1.289 574 I HN 0.783 nan 8.210 nan 0.000 0.453 575 A N 4.181 126.897 122.820 -0.173 0.000 2.384 575 A HA 0.831 5.151 4.320 0.000 0.000 0.312 575 A C -0.393 177.082 177.584 -0.182 0.000 1.113 575 A CA -0.710 51.214 52.037 -0.187 0.000 0.779 575 A CB 1.903 20.789 19.000 -0.190 0.000 1.307 575 A HN 0.732 nan 8.150 nan 0.000 0.436 576 S N 0.378 115.971 115.700 -0.177 0.000 2.652 576 S HA 0.447 4.917 4.470 0.000 0.000 0.252 576 S C 0.047 174.560 174.600 -0.145 0.000 1.219 576 S CA 0.258 58.371 58.200 -0.145 0.000 1.151 576 S CB 0.130 63.266 63.200 -0.107 0.000 1.080 576 S HN 1.438 nan 8.310 nan 0.000 0.481 577 T N 0.009 114.447 114.554 -0.194 0.000 3.266 577 T HA 0.299 4.649 4.350 0.000 0.000 0.278 577 T C -0.047 174.594 174.700 -0.097 0.000 1.010 577 T CA -0.224 61.751 62.100 -0.208 0.000 0.909 577 T CB -0.512 68.039 68.868 -0.529 0.000 1.122 577 T HN 0.484 nan 8.240 nan 0.000 0.536 578 D N 1.331 121.693 120.400 -0.063 0.000 2.720 578 D HA -0.136 4.504 4.640 0.000 0.000 0.229 578 D C -0.318 175.980 176.300 -0.004 0.000 1.198 578 D CA 0.514 54.500 54.000 -0.023 0.000 0.639 578 D CB -1.494 39.311 40.800 0.009 0.000 1.003 578 D HN 0.690 nan 8.370 nan 0.000 0.411 579 I N 0.320 120.869 120.570 -0.035 0.000 2.588 579 I HA 0.114 4.284 4.170 0.000 0.000 0.283 579 I C 0.984 177.115 176.117 0.024 0.000 1.119 579 I CA 0.260 61.562 61.300 0.004 0.000 1.419 579 I CB 0.712 38.661 38.000 -0.084 0.000 1.394 579 I HN -0.104 nan 8.210 nan 0.000 0.562 580 R N 6.386 126.942 120.500 0.094 0.000 2.468 580 R HA 0.442 4.782 4.340 0.000 0.000 0.302 580 R C -1.286 175.104 176.300 0.150 0.000 1.041 580 R CA -0.910 55.245 56.100 0.092 0.000 0.899 580 R CB 1.400 31.746 30.300 0.076 0.000 1.167 580 R HN 0.392 nan 8.270 nan 0.000 0.483 581 L N 4.416 125.732 121.223 0.154 0.000 2.397 581 L HA 0.398 4.738 4.340 0.000 0.000 0.271 581 L C 0.209 177.241 176.870 0.270 0.000 1.148 581 L CA 0.120 55.104 54.840 0.239 0.000 0.825 581 L CB 0.182 42.407 42.059 0.276 0.000 1.117 581 L HN 0.541 nan 8.230 nan 0.000 0.456 582 L N 2.293 123.579 121.223 0.105 0.000 2.362 582 L HA 0.429 4.769 4.340 0.000 0.000 0.271 582 L C 0.205 176.691 176.870 -0.640 0.000 1.002 582 L CA -1.015 53.741 54.840 -0.140 0.000 0.818 582 L CB 1.999 44.016 42.059 -0.070 0.000 1.298 582 L HN 0.516 nan 8.230 nan 0.000 0.420 583 K N 3.286 123.118 120.400 -0.946 0.000 2.419 583 K HA 0.134 4.454 4.320 0.000 0.000 0.282 583 K C -2.252 174.052 176.600 -0.492 0.000 1.056 583 K CA -1.221 54.407 56.287 -1.098 0.000 1.035 583 K CB -0.194 31.916 32.500 -0.650 0.000 0.921 583 K HN 0.271 nan 8.250 nan 0.000 0.472 584 P HA 0.054 nan 4.420 nan 0.000 0.280 584 P C -0.631 176.597 177.300 -0.121 0.000 1.244 584 P CA -0.297 62.715 63.100 -0.147 0.000 0.784 584 P CB 1.223 32.893 31.700 -0.050 0.000 0.913 585 S N 1.312 117.001 115.700 -0.018 0.000 2.617 585 S HA 0.435 4.905 4.470 0.000 0.000 0.269 585 S C 0.604 175.284 174.600 0.133 0.000 1.292 585 S CA -0.401 57.808 58.200 0.014 0.000 1.010 585 S CB 0.565 63.776 63.200 0.020 0.000 0.944 585 S HN 0.573 nan 8.310 nan 0.000 0.536 586 A N 1.737 124.648 122.820 0.152 0.000 3.094 586 A HA 0.378 4.698 4.320 0.000 0.000 0.288 586 A C 0.827 178.536 177.584 0.208 0.000 1.519 586 A CA -0.530 51.707 52.037 0.334 0.000 1.227 586 A CB -0.618 18.577 19.000 0.326 0.000 1.175 586 A HN 0.858 nan 8.150 nan 0.000 0.568 587 K N -0.709 119.793 120.400 0.169 0.000 2.538 587 K HA 0.271 4.591 4.320 0.000 0.000 0.215 587 K C -0.208 176.430 176.600 0.063 0.000 1.345 587 K CA -0.200 56.139 56.287 0.087 0.000 0.985 587 K CB 0.558 33.091 32.500 0.055 0.000 1.116 587 K HN 0.345 nan 8.250 nan 0.000 0.582 588 N N 0.236 118.996 118.700 0.100 0.000 2.591 588 N HA 0.187 4.927 4.740 0.000 0.000 0.263 588 N C -1.590 173.997 175.510 0.129 0.000 1.308 588 N CA -0.645 52.450 53.050 0.074 0.000 0.837 588 N CB 2.628 41.171 38.487 0.094 0.000 1.548 588 N HN -0.136 nan 8.380 nan 0.000 0.493 589 V N 2.014 121.977 119.914 0.082 0.000 2.276 589 V HA 0.131 4.251 4.120 0.000 0.000 0.249 589 V C -0.594 175.651 176.094 0.253 0.000 1.160 589 V CA 0.063 62.462 62.300 0.166 0.000 1.042 589 V CB -1.150 30.714 31.823 0.068 0.000 1.224 589 V HN 0.570 nan 8.190 nan 0.000 0.496 590 H N 2.674 121.845 119.070 0.170 0.000 2.744 590 H HA 0.522 5.078 4.556 0.000 0.000 0.339 590 H C -0.853 174.555 175.328 0.134 0.000 1.004 590 H CA -0.492 55.636 56.048 0.133 0.000 1.257 590 H CB 1.936 31.763 29.762 0.108 0.000 1.552 590 H HN 0.352 nan 8.280 nan 0.000 0.522 591 V N 8.113 127.929 119.914 -0.163 0.000 2.368 591 V HA 0.483 4.603 4.120 0.000 0.000 0.266 591 V C -2.478 173.582 176.094 -0.057 0.000 1.045 591 V CA -1.526 60.744 62.300 -0.049 0.000 0.899 591 V CB 0.566 32.397 31.823 0.013 0.000 1.006 591 V HN 0.737 nan 8.190 nan 0.000 0.470 592 P HA 0.551 nan 4.420 nan 0.000 0.282 592 P C -1.684 175.735 177.300 0.198 0.000 1.259 592 P CA -0.227 62.917 63.100 0.074 0.000 0.826 592 P CB 0.967 32.692 31.700 0.042 0.000 1.064 593 Y N -2.896 117.399 120.300 -0.009 0.000 2.522 593 Y HA 0.516 5.066 4.550 0.000 0.000 0.326 593 Y C -0.694 175.212 175.900 0.009 0.000 1.198 593 Y CA -1.027 57.074 58.100 0.001 0.000 1.112 593 Y CB -0.033 38.422 38.460 -0.009 0.000 1.342 593 Y HN 0.566 nan 8.280 nan 0.000 0.460 594 T N 0.186 114.771 114.554 0.052 0.000 2.880 594 T HA 0.744 5.094 4.350 0.000 0.000 0.279 594 T C -0.614 174.192 174.700 0.177 0.000 0.990 594 T CA -0.239 61.862 62.100 0.003 0.000 0.938 594 T CB 2.255 71.132 68.868 0.016 0.000 1.206 594 T HN 1.037 nan 8.240 nan 0.000 0.573 595 Q N -1.257 118.619 119.800 0.126 0.000 2.702 595 Q HA 0.546 4.886 4.340 0.000 0.000 0.289 595 Q C -1.557 174.518 176.000 0.126 0.000 0.923 595 Q CA -1.000 54.901 55.803 0.164 0.000 0.787 595 Q CB 1.591 30.497 28.738 0.280 0.000 1.476 595 Q HN 1.133 nan 8.270 nan 0.000 0.402 596 A N 0.976 123.869 122.820 0.121 0.000 2.280 596 A HA 0.684 5.004 4.320 0.000 0.000 0.268 596 A C -0.269 177.435 177.584 0.199 0.000 1.111 596 A CA -0.062 52.051 52.037 0.127 0.000 0.814 596 A CB 0.515 19.575 19.000 0.100 0.000 1.093 596 A HN 0.669 nan 8.150 nan 0.000 0.498 597 S N -0.400 115.403 115.700 0.170 0.000 2.645 597 S HA 0.346 4.816 4.470 0.000 0.000 0.266 597 S C 0.509 175.251 174.600 0.236 0.000 1.258 597 S CA -0.303 57.996 58.200 0.165 0.000 0.990 597 S CB 1.074 64.337 63.200 0.105 0.000 0.967 597 S HN 0.761 nan 8.310 nan 0.000 0.556 598 S N 0.974 116.762 115.700 0.146 0.000 2.498 598 S HA 0.277 4.747 4.470 0.000 0.000 0.314 598 S C 1.580 176.310 174.600 0.218 0.000 1.141 598 S CA -0.424 57.863 58.200 0.145 0.000 1.087 598 S CB -0.784 62.348 63.200 -0.113 0.000 1.178 598 S HN 0.832 nan 8.310 nan 0.000 0.533 599 G N 4.681 113.651 108.800 0.284 0.000 2.562 599 G HA2 -0.266 3.694 3.960 0.000 0.000 0.223 599 G HA3 -0.266 3.694 3.960 0.000 0.000 0.223 599 G C 0.982 176.099 174.900 0.360 0.000 1.102 599 G CA 0.886 46.154 45.100 0.281 0.000 0.742 599 G HN 0.696 nan 8.290 nan 0.000 0.587 600 F N 1.204 121.240 119.950 0.143 0.000 2.009 600 F HA 0.197 4.724 4.527 0.000 0.000 0.293 600 F C 1.673 177.638 175.800 0.276 0.000 1.156 600 F CA 0.433 58.548 58.000 0.192 0.000 1.168 600 F CB -0.927 38.136 39.000 0.105 0.000 0.981 600 F HN 0.193 nan 8.300 nan 0.000 0.475 604 K N 0.976 121.210 120.400 -0.277 0.000 2.001 604 K HA -0.245 4.075 4.320 0.000 0.000 0.214 604 K C 1.298 177.537 176.600 -0.600 0.000 1.050 604 K CA 2.039 57.942 56.287 -0.640 0.000 0.934 604 K CB -0.686 31.504 32.500 -0.517 0.000 0.718 604 K HN 0.097 nan 8.250 nan 0.000 0.443 605 N N 0.919 119.394 118.700 -0.374 0.000 2.651 605 N HA -0.154 4.586 4.740 0.000 0.000 0.193 605 N C 0.560 175.886 175.510 -0.306 0.000 1.149 605 N CA 0.878 53.751 53.050 -0.295 0.000 0.933 605 N CB 0.027 38.399 38.487 -0.193 0.000 0.974 605 N HN 0.111 nan 8.380 nan 0.000 0.448 606 N N -1.138 117.300 118.700 -0.436 0.000 2.142 606 N HA 0.049 4.789 4.740 0.000 0.000 0.233 606 N C -1.253 173.884 175.510 -0.623 0.000 1.335 606 N CA -0.050 52.768 53.050 -0.386 0.000 0.837 606 N CB 0.289 38.648 38.487 -0.214 0.000 1.238 606 N HN 0.144 nan 8.380 nan 0.000 0.501 607 S N -0.840 114.205 115.700 -1.093 0.000 2.560 607 S HA 0.481 4.951 4.470 0.000 0.000 0.284 607 S C 1.129 175.372 174.600 -0.594 0.000 1.327 607 S CA -0.139 57.251 58.200 -1.350 0.000 1.055 607 S CB 1.058 63.025 63.200 -2.055 0.000 0.868 607 S HN 0.235 nan 8.310 nan 0.000 0.506 608 G N 1.865 110.479 108.800 -0.310 0.000 2.525 608 G HA2 0.309 4.269 3.960 0.000 0.000 0.276 608 G HA3 0.309 4.269 3.960 0.000 0.000 0.276 608 G C -0.092 174.876 174.900 0.113 0.000 1.388 608 G CA -0.929 44.157 45.100 -0.024 0.000 1.050 608 G HN 0.703 nan 8.290 nan 0.000 0.520 609 R N 1.201 121.773 120.500 0.119 0.000 2.347 609 R HA 0.198 4.538 4.340 0.000 0.000 0.304 609 R C -1.881 174.501 176.300 0.136 0.000 1.072 609 R CA -1.429 54.741 56.100 0.116 0.000 0.980 609 R CB 0.693 31.021 30.300 0.048 0.000 0.986 609 R HN 0.333 nan 8.270 nan 0.000 0.448 610 P HA -0.123 nan 4.420 nan 0.000 0.270 610 P C 0.948 178.166 177.300 -0.138 0.000 1.216 610 P CA -0.020 62.912 63.100 -0.280 0.000 0.788 610 P CB 0.757 32.263 31.700 -0.324 0.000 0.883 611 L N 0.581 121.701 121.223 -0.173 0.000 2.141 611 L HA -0.186 4.154 4.340 0.000 0.000 0.209 611 L C 2.548 179.361 176.870 -0.096 0.000 1.094 611 L CA 1.247 56.029 54.840 -0.098 0.000 0.763 611 L CB -0.533 41.470 42.059 -0.093 0.000 0.908 611 L HN 0.398 nan 8.230 nan 0.000 0.437 612 Q N -0.251 119.491 119.800 -0.096 0.000 2.368 612 Q HA -0.238 4.102 4.340 0.000 0.000 0.210 612 Q C 0.847 176.814 176.000 -0.056 0.000 0.982 612 Q CA 1.360 57.126 55.803 -0.062 0.000 0.884 612 Q CB -0.259 28.448 28.738 -0.052 0.000 0.933 612 Q HN 0.656 nan 8.270 nan 0.000 0.460 613 E N 0.284 120.447 120.200 -0.062 0.000 2.526 613 E HA 0.030 4.380 4.350 0.000 0.000 0.208 613 E C 1.072 177.641 176.600 -0.051 0.000 0.997 613 E CA 0.774 57.143 56.400 -0.052 0.000 0.961 613 E CB 0.824 30.498 29.700 -0.044 0.000 1.030 613 E HN 0.470 nan 8.360 nan 0.000 0.483 614 T N -2.578 111.945 114.554 -0.052 0.000 2.975 614 T HA 0.342 4.692 4.350 0.000 0.000 0.261 614 T C 0.934 175.597 174.700 -0.060 0.000 0.984 614 T CA 0.012 62.083 62.100 -0.049 0.000 0.911 614 T CB 0.361 69.215 68.868 -0.024 0.000 1.127 614 T HN 0.061 nan 8.240 nan 0.000 0.514 615 A N 3.337 126.117 122.820 -0.067 0.000 2.573 615 A HA 0.376 4.696 4.320 0.000 0.000 0.250 615 A C -1.140 176.420 177.584 -0.040 0.000 1.049 615 A CA -0.757 51.244 52.037 -0.060 0.000 0.767 615 A CB -0.082 18.877 19.000 -0.068 0.000 0.965 615 A HN 0.299 nan 8.150 nan 0.000 0.514 616 P HA 0.018 nan 4.420 nan 0.000 0.239 616 P C 0.024 177.007 177.300 -0.529 0.000 1.184 616 P CA 1.241 64.219 63.100 -0.202 0.000 0.760 616 P CB -0.020 31.642 31.700 -0.063 0.000 0.884 617 F N -2.110 117.791 119.950 -0.081 0.000 2.856 617 F HA 0.375 4.902 4.527 0.000 0.000 0.333 617 F C 1.320 177.099 175.800 -0.035 0.000 1.200 617 F CA -0.181 57.739 58.000 -0.134 0.000 1.128 617 F CB 0.496 39.312 39.000 -0.306 0.000 1.172 617 F HN -0.079 nan 8.300 nan 0.000 0.511 618 G N 0.677 109.524 108.800 0.079 0.000 2.160 618 G HA2 -0.304 3.656 3.960 0.000 0.000 0.251 618 G HA3 -0.304 3.656 3.960 0.000 0.000 0.251 618 G C 0.186 175.141 174.900 0.091 0.000 1.008 618 G CA -0.018 45.121 45.100 0.065 0.000 0.724 618 G HN 0.357 nan 8.290 nan 0.000 0.514 619 c N 0.243 118.907 118.600 0.108 0.000 2.676 619 c HA 0.420 4.990 4.570 0.000 0.000 0.416 619 c C 1.184 175.304 174.090 0.051 0.000 1.299 619 c CA 0.019 56.408 56.329 0.100 0.000 2.048 619 c CB 0.603 43.172 42.510 0.099 0.000 2.713 619 c HN 0.489 nan 8.230 nan 0.000 0.624 620 K N 2.574 123.009 120.400 0.059 0.000 2.526 620 K HA 0.268 4.588 4.320 0.000 0.000 0.214 620 K C -0.661 175.971 176.600 0.053 0.000 1.088 620 K CA -0.447 55.865 56.287 0.042 0.000 1.058 620 K CB 0.088 32.613 32.500 0.042 0.000 1.653 620 K HN 0.467 nan 8.250 nan 0.000 0.521 621 I N 2.437 123.035 120.570 0.045 0.000 3.089 621 I HA -0.238 3.932 4.170 0.000 0.000 0.321 621 I C 0.556 176.725 176.117 0.088 0.000 1.222 621 I CA 0.965 62.318 61.300 0.089 0.000 1.452 621 I CB -0.138 37.892 38.000 0.049 0.000 1.321 621 I HN 0.491 nan 8.210 nan 0.000 0.539 622 A N 6.038 128.928 122.820 0.116 0.000 2.401 622 A HA 0.875 5.195 4.320 0.000 0.000 0.310 622 A C -1.040 176.586 177.584 0.071 0.000 1.075 622 A CA -0.568 51.515 52.037 0.076 0.000 0.746 622 A CB 1.816 20.854 19.000 0.063 0.000 1.277 622 A HN 0.358 nan 8.150 nan 0.000 0.425 623 V N 2.798 122.740 119.914 0.048 0.000 2.398 623 V HA 0.428 4.548 4.120 0.000 0.000 0.282 623 V C -0.164 175.945 176.094 0.025 0.000 1.014 623 V CA -0.296 62.026 62.300 0.036 0.000 0.838 623 V CB 0.857 32.705 31.823 0.042 0.000 1.018 623 V HN 1.028 nan 8.190 nan 0.000 0.432 624 N N 3.508 122.218 118.700 0.016 0.000 2.584 624 N HA 0.215 4.955 4.740 0.000 0.000 0.318 624 N C -2.451 173.059 175.510 0.000 0.000 0.669 624 N CA 0.203 53.259 53.050 0.010 0.000 1.248 624 N CB -0.014 38.481 38.487 0.013 0.000 1.659 624 N HN 0.456 nan 8.380 nan 0.000 1.460 625 P HA 0.147 nan 4.420 nan 0.000 0.271 625 P C -0.546 176.745 177.300 -0.015 0.000 1.226 625 P CA -0.140 62.956 63.100 -0.007 0.000 0.765 625 P CB 0.553 32.256 31.700 0.006 0.000 0.835 626 L N 5.514 126.703 121.223 -0.057 0.000 2.410 626 L HA 0.292 4.632 4.340 0.000 0.000 0.273 626 L C 0.423 177.240 176.870 -0.089 0.000 1.144 626 L CA 0.329 55.107 54.840 -0.104 0.000 0.863 626 L CB -0.256 41.660 42.059 -0.238 0.000 1.140 626 L HN 0.658 nan 8.230 nan 0.000 0.463 627 R N 3.943 124.471 120.500 0.047 0.000 2.716 627 R HA 0.724 5.064 4.340 0.000 0.000 0.271 627 R C -1.663 174.819 176.300 0.303 0.000 1.028 627 R CA -0.926 55.257 56.100 0.137 0.000 0.883 627 R CB 1.387 31.735 30.300 0.079 0.000 1.250 627 R HN 0.488 nan 8.270 nan 0.000 0.465 628 A N 1.970 124.960 122.820 0.283 0.000 2.786 628 A HA 0.429 4.749 4.320 0.000 0.000 0.346 628 A C -0.325 177.351 177.584 0.154 0.000 1.265 628 A CA -0.692 51.480 52.037 0.224 0.000 0.858 628 A CB 0.659 19.786 19.000 0.212 0.000 1.118 628 A HN 0.395 nan 8.150 nan 0.000 0.482 629 V N 2.627 122.612 119.914 0.118 0.000 2.599 629 V HA 0.069 4.189 4.120 0.000 0.000 0.300 629 V C 0.435 176.586 176.094 0.095 0.000 1.034 629 V CA 0.475 62.829 62.300 0.091 0.000 1.115 629 V CB 0.070 31.935 31.823 0.069 0.000 0.934 629 V HN 0.940 nan 8.190 nan 0.000 0.485 630 D N 1.735 122.189 120.400 0.090 0.000 2.772 630 D HA -0.171 4.469 4.640 0.000 0.000 0.233 630 D C 0.498 176.870 176.300 0.121 0.000 1.143 630 D CA 0.598 54.651 54.000 0.088 0.000 0.700 630 D CB -1.258 39.585 40.800 0.072 0.000 1.076 630 D HN 0.658 nan 8.370 nan 0.000 0.430 631 c N 0.142 118.844 118.600 0.170 0.000 2.758 631 c HA 0.328 4.898 4.570 0.000 0.000 0.371 631 c C 1.317 175.539 174.090 0.220 0.000 1.342 631 c CA -0.114 56.361 56.329 0.243 0.000 2.257 631 c CB 0.808 43.542 42.510 0.374 0.000 2.621 631 c HN 0.371 nan 8.230 nan 0.000 0.730 632 S N 0.806 116.661 115.700 0.258 0.000 2.721 632 S HA 0.611 5.081 4.470 0.000 0.000 0.264 632 S C -1.093 173.564 174.600 0.096 0.000 1.161 632 S CA -0.438 57.851 58.200 0.148 0.000 1.113 632 S CB 0.440 63.721 63.200 0.135 0.000 1.079 632 S HN 0.737 nan 8.310 nan 0.000 0.479 633 Y N -0.729 119.368 120.300 -0.338 0.000 2.604 633 Y HA 0.707 5.257 4.550 0.000 0.000 0.331 633 Y C 0.127 175.847 175.900 -0.300 0.000 1.158 633 Y CA -0.553 57.239 58.100 -0.512 0.000 1.056 633 Y CB 0.220 37.925 38.460 -1.259 0.000 1.330 633 Y HN 0.883 nan 8.280 nan 0.000 0.457 634 G N 2.155 110.816 108.800 -0.232 0.000 2.914 634 G HA2 -0.203 3.757 3.960 0.000 0.000 0.254 634 G HA3 -0.203 3.757 3.960 0.000 0.000 0.254 634 G C -1.391 173.365 174.900 -0.241 0.000 1.449 634 G CA -0.040 44.927 45.100 -0.221 0.000 0.925 634 G HN 0.967 nan 8.290 nan 0.000 0.555 635 N N -1.105 117.481 118.700 -0.189 0.000 2.384 635 N HA 0.682 5.422 4.740 0.000 0.000 0.301 635 N C -0.029 175.364 175.510 -0.195 0.000 1.133 635 N CA -0.613 52.323 53.050 -0.189 0.000 0.853 635 N CB 1.430 39.826 38.487 -0.152 0.000 1.241 635 N HN 0.595 nan 8.380 nan 0.000 0.502 636 I N 1.881 122.327 120.570 -0.206 0.000 2.330 636 I HA 0.358 4.528 4.170 0.000 0.000 0.289 636 I C -2.244 173.772 176.117 -0.168 0.000 1.001 636 I CA -2.114 59.077 61.300 -0.182 0.000 1.193 636 I CB 1.639 39.529 38.000 -0.184 0.000 1.345 636 I HN 0.207 nan 8.210 nan 0.000 0.461 637 P HA 0.329 nan 4.420 nan 0.000 0.271 637 P C -0.735 176.490 177.300 -0.125 0.000 1.216 637 P CA 0.067 63.091 63.100 -0.127 0.000 0.776 637 P CB 0.710 32.350 31.700 -0.100 0.000 0.881 638 I N 1.137 121.629 120.570 -0.131 0.000 2.571 638 I HA 0.209 4.379 4.170 0.000 0.000 0.289 638 I C -0.491 175.554 176.117 -0.119 0.000 1.115 638 I CA -0.493 60.736 61.300 -0.118 0.000 1.045 638 I CB 2.221 40.150 38.000 -0.118 0.000 1.238 638 I HN 0.110 nan 8.210 nan 0.000 0.424 639 S N 6.709 122.346 115.700 -0.105 0.000 2.433 639 S HA 0.651 5.121 4.470 0.000 0.000 0.310 639 S C -0.343 174.206 174.600 -0.086 0.000 1.097 639 S CA -0.495 57.640 58.200 -0.108 0.000 1.103 639 S CB 1.083 64.222 63.200 -0.102 0.000 0.992 639 S HN 0.335 nan 8.310 nan 0.000 0.469 640 I N 2.242 122.772 120.570 -0.067 0.000 2.404 640 I HA 0.320 4.490 4.170 0.000 0.000 0.293 640 I C -0.613 175.476 176.117 -0.047 0.000 0.992 640 I CA -0.670 60.597 61.300 -0.056 0.000 1.149 640 I CB 1.789 39.768 38.000 -0.034 0.000 1.315 640 I HN 0.437 nan 8.210 nan 0.000 0.446 641 D N 6.756 127.124 120.400 -0.052 0.000 2.485 641 D HA 0.423 5.063 4.640 0.000 0.000 0.221 641 D C -0.539 175.771 176.300 0.017 0.000 1.112 641 D CA -0.307 53.683 54.000 -0.018 0.000 0.911 641 D CB 0.420 41.208 40.800 -0.020 0.000 1.019 641 D HN 0.219 nan 8.370 nan 0.000 0.516 642 I N 4.286 124.922 120.570 0.109 0.000 2.416 642 I HA 0.260 4.430 4.170 0.000 0.000 0.288 642 I C -1.945 174.395 176.117 0.372 0.000 1.051 642 I CA -2.065 59.343 61.300 0.180 0.000 1.375 642 I CB 0.772 38.947 38.000 0.291 0.000 1.407 642 I HN 0.220 nan 8.210 nan 0.000 0.516 643 P HA 0.036 nan 4.420 nan 0.000 0.262 643 P C 0.373 177.932 177.300 0.430 0.000 1.199 643 P CA 0.091 63.360 63.100 0.281 0.000 0.763 643 P CB 0.363 32.199 31.700 0.228 0.000 0.790 644 N N 3.247 122.147 118.700 0.333 0.000 2.258 644 N HA -0.195 4.545 4.740 0.000 0.000 0.187 644 N C 1.473 177.216 175.510 0.387 0.000 1.012 644 N CA 1.353 54.597 53.050 0.323 0.000 0.870 644 N CB -0.323 38.196 38.487 0.053 0.000 0.977 644 N HN 0.420 nan 8.380 nan 0.000 0.434 645 A N -0.108 122.857 122.820 0.242 0.000 2.259 645 A HA 0.169 4.489 4.320 0.000 0.000 0.212 645 A C 1.726 179.377 177.584 0.112 0.000 1.178 645 A CA 1.361 53.492 52.037 0.156 0.000 0.734 645 A CB -0.143 18.920 19.000 0.105 0.000 0.774 645 A HN 0.300 nan 8.150 nan 0.000 0.481 646 A N -1.648 121.238 122.820 0.110 0.000 2.551 646 A HA 0.565 4.885 4.320 0.000 0.000 0.252 646 A C -0.005 177.481 177.584 -0.164 0.000 1.199 646 A CA -0.458 51.529 52.037 -0.083 0.000 0.972 646 A CB 0.157 19.027 19.000 -0.217 0.000 1.153 646 A HN 0.264 nan 8.150 nan 0.000 0.559 647 F N 0.760 120.727 119.950 0.027 0.000 2.410 647 F HA 0.475 5.002 4.527 0.000 0.000 0.348 647 F C 0.340 176.222 175.800 0.137 0.000 1.106 647 F CA -0.301 57.720 58.000 0.035 0.000 1.163 647 F CB 0.898 39.824 39.000 -0.123 0.000 1.129 647 F HN -0.004 nan 8.300 nan 0.000 0.516 648 I N 4.363 125.103 120.570 0.282 0.000 2.321 648 I HA 0.345 4.515 4.170 0.000 0.000 0.291 648 I C -0.461 175.809 176.117 0.255 0.000 0.998 648 I CA -0.949 60.479 61.300 0.214 0.000 1.227 648 I CB 1.260 39.317 38.000 0.095 0.000 1.368 648 I HN 0.549 nan 8.210 nan 0.000 0.466 649 R N 3.695 124.270 120.500 0.126 0.000 2.198 649 R HA 0.343 4.683 4.340 0.000 0.000 0.339 649 R C 0.227 176.462 176.300 -0.108 0.000 1.020 649 R CA -0.656 55.353 56.100 -0.153 0.000 0.864 649 R CB 0.110 30.039 30.300 -0.618 0.000 1.105 649 R HN 0.559 nan 8.270 nan 0.000 0.463 650 T N 1.348 115.861 114.554 -0.070 0.000 3.183 650 T HA -0.220 4.130 4.350 0.000 0.000 0.399 650 T C 0.591 175.268 174.700 -0.038 0.000 0.771 650 T CA 1.719 63.791 62.100 -0.047 0.000 2.371 650 T CB -0.882 67.947 68.868 -0.065 0.000 1.595 650 T HN 0.735 nan 8.240 nan 0.000 0.553 651 S N -0.484 115.204 115.700 -0.020 0.000 2.650 651 S HA 0.181 4.651 4.470 0.000 0.000 0.240 651 S C 0.092 174.690 174.600 -0.002 0.000 1.007 651 S CA -0.503 57.688 58.200 -0.015 0.000 0.984 651 S CB 0.347 63.540 63.200 -0.011 0.000 0.910 651 S HN 0.437 nan 8.310 nan 0.000 0.509 652 D N 1.976 122.377 120.400 0.002 0.000 2.342 652 D HA 0.346 4.986 4.640 0.000 0.000 0.260 652 D C 1.108 177.411 176.300 0.005 0.000 1.278 652 D CA 0.073 54.077 54.000 0.006 0.000 0.910 652 D CB 1.287 42.090 40.800 0.005 0.000 1.079 652 D HN 0.278 nan 8.370 nan 0.000 0.496 653 A N 6.040 128.865 122.820 0.007 0.000 1.948 653 A HA -0.068 4.252 4.320 0.000 0.000 0.220 653 A C -1.193 176.398 177.584 0.013 0.000 1.177 653 A CA 0.562 52.604 52.037 0.008 0.000 0.636 653 A CB -1.212 17.794 19.000 0.010 0.000 0.815 653 A HN 0.474 nan 8.150 nan 0.000 0.449 654 P HA 0.170 nan 4.420 nan 0.000 0.271 654 P C -0.463 176.849 177.300 0.020 0.000 1.233 654 P CA 0.041 63.157 63.100 0.027 0.000 0.764 654 P CB 0.650 32.373 31.700 0.038 0.000 0.825 655 L N 4.864 126.101 121.223 0.022 0.000 2.380 655 L HA 0.208 4.548 4.340 0.000 0.000 0.273 655 L C 0.248 177.136 176.870 0.031 0.000 1.138 655 L CA -0.167 54.685 54.840 0.019 0.000 0.832 655 L CB 1.276 43.345 42.059 0.018 0.000 1.124 655 L HN 0.169 nan 8.230 nan 0.000 0.454 656 V N 3.252 123.178 119.914 0.019 0.000 2.495 656 V HA 0.657 4.777 4.120 0.000 0.000 0.298 656 V C -0.049 176.062 176.094 0.028 0.000 1.031 656 V CA -0.521 61.792 62.300 0.022 0.000 0.871 656 V CB 1.852 33.652 31.823 -0.038 0.000 0.988 656 V HN 0.955 nan 8.190 nan 0.000 0.432 657 S N 1.407 117.145 115.700 0.064 0.000 2.550 657 S HA 0.650 5.120 4.470 0.000 0.000 0.270 657 S C -0.130 174.519 174.600 0.082 0.000 1.145 657 S CA -0.004 58.228 58.200 0.055 0.000 0.852 657 S CB 1.825 65.051 63.200 0.044 0.000 1.119 657 S HN 2.259 nan 8.310 nan 0.000 0.465 658 T N -1.449 113.139 114.554 0.056 0.000 3.860 658 T HA -0.146 4.204 4.350 0.000 0.000 0.378 658 T C -0.115 174.637 174.700 0.088 0.000 0.761 658 T CA 0.282 62.417 62.100 0.058 0.000 2.004 658 T CB -2.924 65.975 68.868 0.050 0.000 1.778 658 T HN 1.488 nan 8.240 nan 0.000 0.801 659 V N 1.659 121.617 119.914 0.073 0.000 2.607 659 V HA 0.687 4.807 4.120 0.000 0.000 0.289 659 V C 0.731 176.857 176.094 0.054 0.000 1.053 659 V CA -0.372 61.980 62.300 0.088 0.000 0.996 659 V CB 1.647 33.490 31.823 0.034 0.000 0.995 659 V HN 0.720 nan 8.190 nan 0.000 0.476 660 K N 1.796 122.233 120.400 0.063 0.000 2.482 660 K HA 0.661 4.981 4.320 0.000 0.000 0.257 660 K C -1.587 175.027 176.600 0.023 0.000 0.969 660 K CA -0.549 55.754 56.287 0.027 0.000 0.842 660 K CB 2.358 34.871 32.500 0.021 0.000 1.359 660 K HN 0.696 nan 8.250 nan 0.000 0.441 661 c N 1.512 120.105 118.600 -0.012 0.000 2.369 661 c HA 0.464 5.034 4.570 0.000 0.000 0.322 661 c C -1.114 172.961 174.090 -0.025 0.000 1.258 661 c CA -0.214 56.100 56.329 -0.024 0.000 1.487 661 c CB 0.203 42.665 42.510 -0.081 0.000 2.165 661 c HN 0.756 nan 8.230 nan 0.000 0.483 662 E N 3.571 123.774 120.200 0.005 0.000 2.234 662 E HA 0.484 4.834 4.350 0.000 0.000 0.266 662 E C -1.303 175.329 176.600 0.054 0.000 0.877 662 E CA -0.557 55.854 56.400 0.018 0.000 0.758 662 E CB 2.276 31.990 29.700 0.024 0.000 1.170 662 E HN 0.498 nan 8.360 nan 0.000 0.415 663 V N 3.095 123.051 119.914 0.071 0.000 2.350 663 V HA 0.035 4.155 4.120 0.000 0.000 0.276 663 V C 1.153 177.325 176.094 0.129 0.000 1.028 663 V CA 0.004 62.396 62.300 0.154 0.000 0.860 663 V CB 1.105 33.056 31.823 0.213 0.000 0.990 663 V HN 0.879 nan 8.190 nan 0.000 0.453 664 S N 4.099 119.875 115.700 0.127 0.000 2.317 664 S HA 0.126 4.596 4.470 0.000 0.000 0.212 664 S C 0.492 175.146 174.600 0.090 0.000 1.030 664 S CA 0.243 58.496 58.200 0.088 0.000 0.970 664 S CB 0.060 63.301 63.200 0.068 0.000 0.928 664 S HN 0.745 nan 8.310 nan 0.000 0.451 665 E N -1.030 119.226 120.200 0.094 0.000 2.378 665 E HA 0.673 5.023 4.350 0.000 0.000 0.265 665 E C -1.676 174.968 176.600 0.073 0.000 0.932 665 E CA -0.933 55.512 56.400 0.074 0.000 0.795 665 E CB 2.306 32.033 29.700 0.046 0.000 1.296 665 E HN 0.432 nan 8.360 nan 0.000 0.438 666 c N 0.976 119.613 118.600 0.061 0.000 3.181 666 c HA 0.578 5.148 4.570 0.000 0.000 0.362 666 c C -1.316 172.805 174.090 0.052 0.000 1.125 666 c CA -0.216 56.139 56.329 0.044 0.000 1.265 666 c CB 0.887 43.503 42.510 0.176 0.000 1.632 666 c HN 0.860 nan 8.230 nan 0.000 0.525 667 T N 1.824 116.382 114.554 0.006 0.000 2.876 667 T HA 0.675 5.025 4.350 0.000 0.000 0.289 667 T C -0.847 173.874 174.700 0.035 0.000 1.014 667 T CA -0.473 61.633 62.100 0.010 0.000 0.986 667 T CB 1.242 70.059 68.868 -0.085 0.000 1.021 667 T HN 1.186 nan 8.240 nan 0.000 0.458 668 Y N 1.835 122.147 120.300 0.020 0.000 2.336 668 Y HA 0.486 5.036 4.550 0.000 0.000 0.335 668 Y C 0.832 176.738 175.900 0.010 0.000 1.046 668 Y CA -0.249 57.869 58.100 0.030 0.000 1.198 668 Y CB 0.529 39.017 38.460 0.047 0.000 1.182 668 Y HN 1.350 nan 8.280 nan 0.000 0.502 669 S N 0.963 116.687 115.700 0.039 0.000 3.706 669 S HA -0.165 4.305 4.470 0.000 0.000 0.363 669 S C -0.196 174.313 174.600 -0.152 0.000 0.999 669 S CA 0.146 58.324 58.200 -0.037 0.000 1.143 669 S CB -2.239 60.988 63.200 0.046 0.000 0.902 669 S HN 1.802 nan 8.310 nan 0.000 0.476 670 A N 0.232 122.947 122.820 -0.175 0.000 2.312 670 A HA 0.805 5.125 4.320 0.000 0.000 0.310 670 A C 0.913 178.342 177.584 -0.259 0.000 1.139 670 A CA -0.080 51.836 52.037 -0.201 0.000 0.886 670 A CB 0.370 19.259 19.000 -0.186 0.000 1.350 670 A HN 0.265 nan 8.150 nan 0.000 0.479 671 D N -0.737 119.496 120.400 -0.278 0.000 2.077 671 D HA -0.008 4.632 4.640 0.000 0.000 0.193 671 D C -0.389 175.425 176.300 -0.810 0.000 0.989 671 D CA 2.247 55.963 54.000 -0.473 0.000 0.831 671 D CB -0.136 40.503 40.800 -0.268 0.000 0.979 671 D HN 0.346 nan 8.370 nan 0.000 0.449 672 F N -1.250 118.629 119.950 -0.118 0.000 2.766 672 F HA 0.383 4.911 4.527 0.000 0.000 0.355 672 F C 1.056 176.751 175.800 -0.174 0.000 1.434 672 F CA -0.576 57.341 58.000 -0.139 0.000 1.139 672 F CB 1.383 40.309 39.000 -0.123 0.000 1.816 672 F HN -0.096 nan 8.300 nan 0.000 0.600 673 G N 0.054 108.798 108.800 -0.093 0.000 3.042 673 G HA2 0.305 4.265 3.960 0.000 0.000 0.212 673 G HA3 0.305 4.265 3.960 0.000 0.000 0.212 673 G C 0.900 175.656 174.900 -0.239 0.000 1.166 673 G CA 0.348 45.375 45.100 -0.122 0.000 0.767 673 G HN 0.634 nan 8.290 nan 0.000 0.546 677 T N -0.629 113.976 114.554 0.084 0.000 2.893 677 T HA 0.762 5.112 4.350 0.000 0.000 0.291 677 T C -0.833 173.910 174.700 0.070 0.000 1.028 677 T CA -0.633 61.504 62.100 0.062 0.000 0.995 677 T CB 1.259 70.155 68.868 0.047 0.000 1.051 677 T HN 0.782 nan 8.240 nan 0.000 0.470 678 L N 2.355 123.637 121.223 0.099 0.000 2.345 678 L HA 0.423 4.763 4.340 0.000 0.000 0.274 678 L C 0.197 177.209 176.870 0.236 0.000 0.999 678 L CA -0.767 54.156 54.840 0.138 0.000 0.849 678 L CB 1.712 43.843 42.059 0.120 0.000 1.220 678 L HN 0.660 nan 8.230 nan 0.000 0.422 679 Q N 2.983 122.874 119.800 0.151 0.000 2.260 679 Q HA 0.585 4.925 4.340 0.000 0.000 0.242 679 Q C -1.204 174.912 176.000 0.195 0.000 0.932 679 Q CA -0.290 55.560 55.803 0.079 0.000 0.891 679 Q CB 1.871 30.611 28.738 0.003 0.000 1.222 679 Q HN 0.539 nan 8.270 nan 0.000 0.453 680 Y N -3.132 117.170 120.300 0.002 0.000 2.965 680 Y HA 0.638 5.188 4.550 0.000 0.000 0.341 680 Y C -1.793 174.109 175.900 0.003 0.000 1.443 680 Y CA -1.292 56.809 58.100 0.003 0.000 1.101 680 Y CB 0.685 39.148 38.460 0.005 0.000 1.969 680 Y HN 0.252 nan 8.280 nan 0.000 0.419 681 V N 2.116 122.176 119.914 0.243 0.000 2.612 681 V HA 0.651 4.771 4.120 0.000 0.000 0.301 681 V C -0.961 175.282 176.094 0.247 0.000 1.059 681 V CA -0.182 62.191 62.300 0.121 0.000 0.886 681 V CB 1.550 33.404 31.823 0.051 0.000 1.007 681 V HN 1.039 nan 8.190 nan 0.000 0.426 682 S N 1.367 117.204 115.700 0.227 0.000 2.513 682 S HA 0.540 5.010 4.470 0.000 0.000 0.299 682 S C 0.158 174.817 174.600 0.098 0.000 1.087 682 S CA -0.717 57.596 58.200 0.189 0.000 1.012 682 S CB 2.186 65.545 63.200 0.265 0.000 1.044 682 S HN 0.541 nan 8.310 nan 0.000 0.485 683 D N 1.427 121.867 120.400 0.068 0.000 2.097 683 D HA 0.084 4.724 4.640 0.000 0.000 0.195 683 D C 1.058 177.382 176.300 0.041 0.000 0.989 683 D CA 1.495 55.521 54.000 0.043 0.000 0.827 683 D CB 0.111 40.929 40.800 0.030 0.000 0.966 683 D HN 0.581 nan 8.370 nan 0.000 0.456 684 R N -0.896 119.632 120.500 0.047 0.000 3.270 684 R HA 0.467 4.807 4.340 0.000 0.000 0.252 684 R C -0.433 175.901 176.300 0.057 0.000 1.331 684 R CA -0.759 55.367 56.100 0.042 0.000 1.028 684 R CB 1.160 31.477 30.300 0.029 0.000 1.450 684 R HN -0.137 nan 8.270 nan 0.000 0.471 685 E N -0.515 119.713 120.200 0.048 0.000 2.222 685 E HA 0.562 4.912 4.350 0.000 0.000 0.272 685 E C -0.494 176.136 176.600 0.050 0.000 0.982 685 E CA -0.581 55.854 56.400 0.058 0.000 0.842 685 E CB 2.015 31.746 29.700 0.051 0.000 1.144 685 E HN 0.656 nan 8.360 nan 0.000 0.397 686 G N 0.868 109.704 108.800 0.060 0.000 2.500 686 G HA2 0.258 4.218 3.960 0.000 0.000 0.299 686 G HA3 0.258 4.218 3.960 0.000 0.000 0.299 686 G C -1.611 173.322 174.900 0.054 0.000 1.242 686 G CA -0.642 44.486 45.100 0.047 0.000 0.859 686 G HN 0.395 nan 8.290 nan 0.000 0.481 687 Q N -0.557 119.252 119.800 0.015 0.000 2.294 687 Q HA 0.485 4.825 4.340 0.000 0.000 0.264 687 Q C -1.259 174.703 176.000 -0.065 0.000 0.992 687 Q CA -0.522 55.260 55.803 -0.035 0.000 0.747 687 Q CB 2.119 30.834 28.738 -0.039 0.000 1.262 687 Q HN 0.548 nan 8.270 nan 0.000 0.452 688 c N 3.430 121.978 118.600 -0.087 0.000 2.370 688 c HA 0.628 5.198 4.570 0.000 0.000 0.354 688 c C -2.199 171.840 174.090 -0.086 0.000 1.218 688 c CA -1.347 54.933 56.329 -0.082 0.000 2.154 688 c CB 0.615 43.063 42.510 -0.102 0.000 2.391 688 c HN 0.567 nan 8.230 nan 0.000 0.540 689 P HA 0.349 nan 4.420 nan 0.000 0.300 689 P C -1.014 176.272 177.300 -0.023 0.000 1.356 689 P CA -0.131 62.938 63.100 -0.051 0.000 0.823 689 P CB 0.768 32.441 31.700 -0.045 0.000 0.934 690 V N 4.834 124.737 119.914 -0.020 0.000 2.439 690 V HA 0.517 4.637 4.120 0.000 0.000 0.282 690 V C -0.062 176.065 176.094 0.055 0.000 1.039 690 V CA -0.084 62.220 62.300 0.007 0.000 0.913 690 V CB 0.692 32.510 31.823 -0.009 0.000 0.983 690 V HN 0.706 nan 8.190 nan 0.000 0.460 691 H N 2.124 121.136 119.070 -0.096 0.000 3.064 691 H HA 0.560 5.116 4.556 0.000 0.000 0.352 691 H C -0.559 174.640 175.328 -0.216 0.000 1.260 691 H CA -0.296 55.650 56.048 -0.170 0.000 1.160 691 H CB 1.959 31.584 29.762 -0.228 0.000 1.879 691 H HN 0.696 nan 8.280 nan 0.000 0.544 692 S N 2.686 117.817 115.700 -0.949 0.000 2.462 692 S HA 0.236 4.706 4.470 0.000 0.000 0.294 692 S C -0.198 173.944 174.600 -0.764 0.000 1.144 692 S CA -0.807 57.021 58.200 -0.619 0.000 1.088 692 S CB 0.664 63.628 63.200 -0.393 0.000 1.009 692 S HN 0.753 nan 8.310 nan 0.000 0.484 693 H N 2.382 121.336 119.070 -0.193 0.000 2.704 693 H HA 0.350 4.906 4.556 0.000 0.000 0.315 693 H C -0.022 175.294 175.328 -0.020 0.000 1.117 693 H CA 0.024 56.031 56.048 -0.067 0.000 1.129 693 H CB -0.465 29.304 29.762 0.012 0.000 1.439 693 H HN 0.823 nan 8.280 nan 0.000 0.528 694 S N -0.800 114.909 115.700 0.016 0.000 2.584 694 S HA 0.074 4.544 4.470 0.000 0.000 0.280 694 S C 0.848 175.444 174.600 -0.006 0.000 1.162 694 S CA -0.624 57.604 58.200 0.046 0.000 0.951 694 S CB 1.506 64.766 63.200 0.100 0.000 1.108 694 S HN 0.188 nan 8.310 nan 0.000 0.464 695 S N 1.015 116.724 115.700 0.015 0.000 2.507 695 S HA -0.126 4.344 4.470 0.000 0.000 0.235 695 S C 1.782 176.378 174.600 -0.007 0.000 0.988 695 S CA 1.143 59.345 58.200 0.004 0.000 0.944 695 S CB -1.239 61.984 63.200 0.038 0.000 0.762 695 S HN 1.256 nan 8.310 nan 0.000 0.526 696 T N -1.099 113.463 114.554 0.013 0.000 3.077 696 T HA 0.440 4.790 4.350 0.000 0.000 0.269 696 T C 0.509 175.182 174.700 -0.045 0.000 1.146 696 T CA 0.573 62.690 62.100 0.027 0.000 1.091 696 T CB -0.473 68.451 68.868 0.094 0.000 0.892 696 T HN 0.852 nan 8.240 nan 0.000 0.533 697 A N 0.490 123.213 122.820 -0.162 0.000 2.605 697 A HA 0.655 4.975 4.320 0.000 0.000 0.294 697 A C -0.331 177.080 177.584 -0.289 0.000 1.062 697 A CA -0.594 51.244 52.037 -0.331 0.000 0.682 697 A CB 1.232 19.655 19.000 -0.962 0.000 1.278 697 A HN 0.657 nan 8.150 nan 0.000 0.410 698 T N -0.423 114.024 114.554 -0.177 0.000 2.912 698 T HA 0.706 5.056 4.350 0.000 0.000 0.299 698 T C -0.652 174.066 174.700 0.031 0.000 1.052 698 T CA -0.626 61.415 62.100 -0.097 0.000 0.996 698 T CB 0.873 69.727 68.868 -0.023 0.000 1.070 698 T HN 0.656 nan 8.240 nan 0.000 0.465 699 L N 2.592 123.831 121.223 0.027 0.000 2.375 699 L HA 0.442 4.782 4.340 0.000 0.000 0.271 699 L C 2.072 179.019 176.870 0.129 0.000 1.107 699 L CA -0.799 54.105 54.840 0.107 0.000 0.806 699 L CB 1.190 43.274 42.059 0.042 0.000 1.146 699 L HN 0.872 nan 8.230 nan 0.000 0.447 700 Q N 1.206 121.047 119.800 0.067 0.000 2.172 700 Q HA -0.009 4.331 4.340 0.000 0.000 0.200 700 Q C -0.166 175.738 176.000 -0.160 0.000 0.964 700 Q CA 1.103 56.754 55.803 -0.254 0.000 0.855 700 Q CB 0.462 28.706 28.738 -0.823 0.000 0.918 700 Q HN 0.639 nan 8.270 nan 0.000 0.444 701 E N -0.907 119.254 120.200 -0.064 0.000 2.244 701 E HA 0.165 4.515 4.350 0.000 0.000 0.266 701 E C -0.155 176.433 176.600 -0.020 0.000 0.914 701 E CA 0.080 56.452 56.400 -0.047 0.000 0.794 701 E CB 1.959 31.638 29.700 -0.035 0.000 1.210 701 E HN 0.163 nan 8.360 nan 0.000 0.414 702 S N -0.541 115.140 115.700 -0.031 0.000 2.520 702 S HA 0.050 4.520 4.470 0.000 0.000 0.219 702 S C 0.694 175.262 174.600 -0.052 0.000 1.028 702 S CA -0.236 57.948 58.200 -0.028 0.000 0.921 702 S CB 0.165 63.344 63.200 -0.035 0.000 0.844 702 S HN 0.544 nan 8.310 nan 0.000 0.495 703 T N -0.396 114.111 114.554 -0.079 0.000 2.908 703 T HA 0.806 5.156 4.350 0.000 0.000 0.290 703 T C -0.923 173.680 174.700 -0.162 0.000 1.034 703 T CA -0.771 61.254 62.100 -0.126 0.000 1.010 703 T CB 1.979 70.749 68.868 -0.162 0.000 1.068 703 T HN 0.058 nan 8.240 nan 0.000 0.481 704 V N 1.760 121.553 119.914 -0.202 0.000 2.851 704 V HA 0.338 4.458 4.120 0.000 0.000 0.307 704 V C -0.863 175.097 176.094 -0.225 0.000 1.129 704 V CA -1.027 61.161 62.300 -0.186 0.000 0.932 704 V CB 2.110 33.888 31.823 -0.075 0.000 1.024 704 V HN 0.988 nan 8.190 nan 0.000 0.426 705 H N 3.169 122.244 119.070 0.008 0.000 3.109 705 H HA 0.248 4.804 4.556 0.000 0.000 0.266 705 H C -0.132 175.218 175.328 0.036 0.000 1.334 705 H CA -0.097 55.960 56.048 0.015 0.000 1.456 705 H CB 0.948 30.720 29.762 0.016 0.000 1.587 705 H HN 0.331 nan 8.280 nan 0.000 0.500 706 V N 6.140 126.116 119.914 0.102 0.000 2.485 706 V HA -0.015 4.105 4.120 0.000 0.000 0.287 706 V C 0.938 177.133 176.094 0.168 0.000 1.022 706 V CA 0.202 62.575 62.300 0.122 0.000 1.067 706 V CB 0.120 31.949 31.823 0.010 0.000 0.967 706 V HN 0.498 nan 8.190 nan 0.000 0.479 707 L N 3.902 125.253 121.223 0.213 0.000 2.421 707 L HA 0.484 4.824 4.340 0.000 0.000 0.267 707 L C 1.268 178.227 176.870 0.148 0.000 1.036 707 L CA -0.714 54.212 54.840 0.142 0.000 0.829 707 L CB 0.806 42.919 42.059 0.091 0.000 1.437 707 L HN 0.513 nan 8.230 nan 0.000 0.488 708 E N -0.399 119.842 120.200 0.068 0.000 2.371 708 E HA -0.073 4.277 4.350 0.000 0.000 0.194 708 E C 1.515 178.081 176.600 -0.058 0.000 1.012 708 E CA 0.348 56.765 56.400 0.029 0.000 0.860 708 E CB 0.200 29.910 29.700 0.018 0.000 0.811 708 E HN 0.416 nan 8.360 nan 0.000 0.502 709 K N 0.210 120.573 120.400 -0.062 0.000 2.089 709 K HA -0.144 4.176 4.320 0.000 0.000 0.210 709 K C 1.256 177.700 176.600 -0.260 0.000 1.048 709 K CA 1.133 57.352 56.287 -0.113 0.000 0.926 709 K CB -0.229 32.231 32.500 -0.066 0.000 0.714 709 K HN 0.275 nan 8.250 nan 0.000 0.448 710 G N 0.523 109.011 108.800 -0.520 0.000 2.203 710 G HA2 -0.136 3.824 3.960 0.000 0.000 0.231 710 G HA3 -0.136 3.824 3.960 0.000 0.000 0.231 710 G C -0.335 174.131 174.900 -0.724 0.000 1.058 710 G CA -0.014 44.383 45.100 -1.173 0.000 0.781 710 G HN 0.548 nan 8.290 nan 0.000 0.496 711 A N -0.679 121.954 122.820 -0.311 0.000 2.442 711 A HA 0.789 5.109 4.320 0.000 0.000 0.284 711 A C -0.662 177.009 177.584 0.146 0.000 1.058 711 A CA -0.300 51.724 52.037 -0.022 0.000 0.738 711 A CB 2.144 21.121 19.000 -0.038 0.000 1.242 711 A HN 1.325 nan 8.150 nan 0.000 0.421 712 V N 2.887 122.929 119.914 0.213 0.000 2.443 712 V HA 0.594 4.714 4.120 0.000 0.000 0.293 712 V C 0.245 176.386 176.094 0.079 0.000 1.021 712 V CA -0.163 62.234 62.300 0.161 0.000 0.848 712 V CB 2.061 33.988 31.823 0.173 0.000 0.998 712 V HN 1.047 nan 8.190 nan 0.000 0.424 713 T N 2.694 117.268 114.554 0.033 0.000 2.767 713 T HA 0.808 5.158 4.350 0.000 0.000 0.288 713 T C -0.604 174.041 174.700 -0.091 0.000 0.963 713 T CA -0.596 61.485 62.100 -0.031 0.000 1.019 713 T CB 1.483 70.318 68.868 -0.055 0.000 0.923 713 T HN 0.318 nan 8.240 nan 0.000 0.468 714 V N 3.475 123.321 119.914 -0.113 0.000 2.876 714 V HA 0.444 4.564 4.120 0.000 0.000 0.312 714 V C -0.553 175.457 176.094 -0.140 0.000 1.085 714 V CA -1.084 61.158 62.300 -0.098 0.000 0.945 714 V CB 2.066 33.911 31.823 0.037 0.000 1.017 714 V HN 0.928 nan 8.190 nan 0.000 0.428 715 H N 3.749 122.873 119.070 0.089 0.000 2.463 715 H HA 0.671 5.227 4.556 0.000 0.000 0.332 715 H C -0.771 174.659 175.328 0.169 0.000 1.127 715 H CA -0.123 55.959 56.048 0.056 0.000 1.238 715 H CB 1.917 31.631 29.762 -0.079 0.000 1.478 715 H HN 0.650 nan 8.280 nan 0.000 0.499 716 F N -0.500 119.575 119.950 0.208 0.000 2.692 716 F HA 0.639 5.166 4.527 0.000 0.000 0.320 716 F C -0.809 175.113 175.800 0.204 0.000 1.123 716 F CA -1.173 56.923 58.000 0.161 0.000 0.961 716 F CB 1.541 40.526 39.000 -0.025 0.000 1.383 716 F HN 0.389 nan 8.300 nan 0.000 0.483 717 S N 0.018 115.878 115.700 0.267 0.000 2.541 717 S HA 0.874 5.344 4.470 0.000 0.000 0.280 717 S C -0.818 173.817 174.600 0.058 0.000 1.112 717 S CA 0.066 58.278 58.200 0.020 0.000 0.925 717 S CB 1.600 64.655 63.200 -0.242 0.000 1.067 717 S HN 1.338 nan 8.310 nan 0.000 0.479 718 T N -2.000 112.577 114.554 0.038 0.000 2.618 718 T HA 0.865 5.215 4.350 0.000 0.000 0.286 718 T C -0.378 174.349 174.700 0.046 0.000 1.027 718 T CA -0.471 61.665 62.100 0.060 0.000 1.063 718 T CB 1.173 70.136 68.868 0.158 0.000 1.440 718 T HN 1.858 nan 8.240 nan 0.000 0.505 719 A N 0.810 123.680 122.820 0.083 0.000 3.214 719 A HA 0.680 5.000 4.320 0.000 0.000 0.203 719 A C 0.020 177.684 177.584 0.134 0.000 0.960 719 A CA 0.008 52.108 52.037 0.105 0.000 1.113 719 A CB -0.467 18.569 19.000 0.061 0.000 1.280 719 A HN 1.601 nan 8.150 nan 0.000 0.573 720 S N -1.084 114.709 115.700 0.156 0.000 2.607 720 S HA 0.823 5.293 4.470 0.000 0.000 0.273 720 S C -2.515 172.158 174.600 0.121 0.000 1.148 720 S CA -0.909 57.364 58.200 0.122 0.000 0.833 720 S CB 1.783 65.049 63.200 0.110 0.000 1.130 720 S HN -0.027 nan 8.310 nan 0.000 0.470 721 P HA 0.156 nan 4.420 nan 0.000 0.214 721 P C -0.344 176.997 177.300 0.068 0.000 1.163 721 P CA 0.945 64.059 63.100 0.023 0.000 0.881 721 P CB 0.002 31.680 31.700 -0.037 0.000 0.775 722 Q N -0.014 119.823 119.800 0.060 0.000 2.523 722 Q HA 0.625 4.965 4.340 0.000 0.000 0.251 722 Q C -0.814 175.235 176.000 0.080 0.000 1.033 722 Q CA -0.604 55.239 55.803 0.066 0.000 0.746 722 Q CB 1.558 30.317 28.738 0.035 0.000 1.189 722 Q HN 0.103 nan 8.270 nan 0.000 0.508 723 A N 2.590 125.488 122.820 0.131 0.000 2.286 723 A HA 0.574 4.894 4.320 0.000 0.000 0.286 723 A C -0.219 177.429 177.584 0.107 0.000 1.097 723 A CA -0.514 51.624 52.037 0.169 0.000 0.821 723 A CB 0.642 19.818 19.000 0.293 0.000 1.076 723 A HN 0.574 nan 8.150 nan 0.000 0.490 724 N N 0.622 119.386 118.700 0.108 0.000 2.540 724 N HA 0.563 5.303 4.740 0.000 0.000 0.275 724 N C -1.670 173.877 175.510 0.061 0.000 1.053 724 N CA -0.073 52.965 53.050 -0.020 0.000 0.876 724 N CB 1.167 39.643 38.487 -0.019 0.000 1.284 724 N HN 0.544 nan 8.380 nan 0.000 0.518 725 F N 0.349 120.261 119.950 -0.064 0.000 2.576 725 F HA 0.684 5.211 4.527 0.000 0.000 0.313 725 F C -0.471 175.287 175.800 -0.070 0.000 1.078 725 F CA -1.159 56.797 58.000 -0.072 0.000 0.921 725 F CB 1.152 40.085 39.000 -0.111 0.000 1.232 725 F HN 0.064 nan 8.300 nan 0.000 0.459 726 I N 4.009 124.659 120.570 0.135 0.000 2.287 726 I HA 0.288 4.458 4.170 0.000 0.000 0.290 726 I C -0.481 175.731 176.117 0.158 0.000 1.069 726 I CA -0.824 60.525 61.300 0.083 0.000 1.237 726 I CB 1.006 39.057 38.000 0.085 0.000 1.418 726 I HN 0.430 nan 8.210 nan 0.000 0.481 727 V N 5.289 125.273 119.914 0.117 0.000 2.732 727 V HA 0.299 4.419 4.120 0.000 0.000 0.297 727 V C 0.439 176.597 176.094 0.106 0.000 1.060 727 V CA -0.211 62.153 62.300 0.105 0.000 1.038 727 V CB 1.749 33.629 31.823 0.094 0.000 1.003 727 V HN 0.859 nan 8.190 nan 0.000 0.481 728 S N 5.068 120.831 115.700 0.105 0.000 2.707 728 S HA 0.704 5.174 4.470 0.000 0.000 0.303 728 S C -0.966 173.671 174.600 0.062 0.000 1.132 728 S CA -0.777 57.503 58.200 0.134 0.000 1.046 728 S CB 0.909 64.312 63.200 0.337 0.000 1.004 728 S HN 0.448 nan 8.310 nan 0.000 0.483 729 L N 1.981 123.211 121.223 0.012 0.000 2.454 729 L HA 0.396 4.736 4.340 0.000 0.000 0.256 729 L C 1.538 178.392 176.870 -0.026 0.000 1.136 729 L CA -1.129 53.686 54.840 -0.042 0.000 0.804 729 L CB 0.303 42.286 42.059 -0.127 0.000 1.181 729 L HN 0.936 nan 8.230 nan 0.000 0.469 730 c N 1.245 119.815 118.600 -0.050 0.000 2.119 730 c HA -0.338 4.232 4.570 0.000 0.000 0.221 730 c C 2.109 176.201 174.090 0.005 0.000 1.056 730 c CA 1.711 58.023 56.329 -0.029 0.000 1.803 730 c CB -1.428 41.053 42.510 -0.049 0.000 1.371 730 c HN 1.105 nan 8.230 nan 0.000 0.341 731 G N -0.224 108.575 108.800 -0.003 0.000 2.781 731 G HA2 0.164 4.124 3.960 0.000 0.000 0.208 731 G HA3 0.164 4.124 3.960 0.000 0.000 0.208 731 G C 0.348 175.254 174.900 0.010 0.000 1.099 731 G CA 0.124 45.231 45.100 0.012 0.000 0.776 731 G HN 0.497 nan 8.290 nan 0.000 0.532 732 K N 0.959 121.357 120.400 -0.004 0.000 2.107 732 K HA 0.535 4.855 4.320 0.000 0.000 0.251 732 K C -0.281 176.326 176.600 0.011 0.000 1.012 732 K CA 0.078 56.362 56.287 -0.004 0.000 0.920 732 K CB 1.271 33.761 32.500 -0.017 0.000 1.033 732 K HN 0.102 nan 8.250 nan 0.000 0.478 733 K N 0.201 120.604 120.400 0.005 0.000 2.477 733 K HA 0.418 4.738 4.320 0.000 0.000 0.255 733 K C -0.275 176.325 176.600 0.000 0.000 0.952 733 K CA -0.649 55.648 56.287 0.016 0.000 0.826 733 K CB 2.124 34.620 32.500 -0.008 0.000 1.331 733 K HN 0.853 nan 8.250 nan 0.000 0.437 734 T N -2.614 111.939 114.554 -0.001 0.000 2.590 734 T HA 0.595 4.945 4.350 0.000 0.000 0.282 734 T C -0.677 173.987 174.700 -0.059 0.000 0.989 734 T CA -0.728 61.356 62.100 -0.028 0.000 1.091 734 T CB 1.538 70.389 68.868 -0.028 0.000 1.460 734 T HN 0.609 nan 8.240 nan 0.000 0.499 735 T N -1.412 113.080 114.554 -0.103 0.000 2.933 735 T HA 0.699 5.049 4.350 0.000 0.000 0.305 735 T C -0.602 173.938 174.700 -0.266 0.000 1.092 735 T CA -0.783 61.208 62.100 -0.182 0.000 1.008 735 T CB 0.622 69.407 68.868 -0.139 0.000 1.102 735 T HN 1.003 nan 8.240 nan 0.000 0.469 736 c N 2.335 120.633 118.600 -0.502 0.000 2.719 736 c HA 0.947 5.517 4.570 0.000 0.000 0.327 736 c C -0.289 173.490 174.090 -0.518 0.000 1.238 736 c CA -0.706 55.295 56.329 -0.548 0.000 1.727 736 c CB 1.377 43.411 42.510 -0.793 0.000 2.256 736 c HN 1.026 nan 8.230 nan 0.000 0.489 737 N N -0.048 118.476 118.700 -0.292 0.000 2.504 737 N HA 0.803 5.543 4.740 0.000 0.000 0.268 737 N C -1.168 174.324 175.510 -0.030 0.000 1.184 737 N CA 0.048 53.004 53.050 -0.155 0.000 0.875 737 N CB 2.135 40.558 38.487 -0.108 0.000 1.630 737 N HN 1.195 nan 8.380 nan 0.000 0.486 738 A N 0.698 123.539 122.820 0.035 0.000 2.489 738 A HA 0.525 4.845 4.320 0.000 0.000 0.293 738 A C -1.811 175.836 177.584 0.106 0.000 1.004 738 A CA -0.692 51.399 52.037 0.090 0.000 0.626 738 A CB 0.799 19.895 19.000 0.161 0.000 1.345 738 A HN 0.517 nan 8.150 nan 0.000 0.447 739 E N -0.193 120.066 120.200 0.099 0.000 2.183 739 E HA 0.606 4.956 4.350 0.000 0.000 0.271 739 E C -0.826 175.845 176.600 0.118 0.000 0.919 739 E CA -0.574 55.880 56.400 0.090 0.000 0.781 739 E CB 1.773 31.506 29.700 0.056 0.000 1.140 739 E HN 0.719 nan 8.360 nan 0.000 0.402 740 c N 0.000 118.678 118.600 0.130 0.000 2.653 740 c HA 0.000 4.570 4.570 0.000 0.000 0.325 740 c CA 0.000 56.444 56.329 0.191 0.000 1.963 740 c CB 0.000 42.656 42.510 0.243 0.000 2.134 740 c HN 0.000 nan 8.230 nan 0.000 0.568