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_A 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 DRXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXL DATA SEQUENCE HLPFKLIPST cXVPVAHAPN VIHGFKHISL QLDTDHLTLL TTRRLGANPE DATA SEQUENCE PTTEWIVGKT VRNFTVDRDG LEYIWGNHEP VRVYAQESXX XXXXXXXXXX DATA SEQUENCE XXXGGYEHAT 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 0.000 175.763 175.800 -0.062 0.000 0.967 6 F CA 0.000 58.028 58.000 0.046 0.000 1.383 6 F CB 0.000 39.015 39.000 0.025 0.000 1.145 7 T N -0.019 114.455 114.554 -0.134 0.000 2.943 7 T HA 0.623 4.973 4.350 -0.000 0.000 0.284 7 T C 0.098 174.746 174.700 -0.086 0.000 1.015 7 T CA -0.340 61.598 62.100 -0.270 0.000 1.042 7 T CB 1.784 70.323 68.868 -0.549 0.000 1.055 7 T HN 1.159 nan 8.240 nan 0.000 0.500 8 L N -1.139 120.035 121.223 -0.082 0.000 2.858 8 L HA 0.532 4.872 4.340 -0.000 0.000 0.251 8 L C 0.602 177.465 176.870 -0.012 0.000 1.149 8 L CA -0.466 54.365 54.840 -0.016 0.000 0.955 8 L CB -0.174 41.874 42.059 -0.018 0.000 1.289 8 L HN 0.782 nan 8.230 nan 0.000 0.542 9 T N -0.052 114.494 114.554 -0.013 0.000 2.903 9 T HA 0.773 5.123 4.350 -0.000 0.000 0.299 9 T C -0.571 174.160 174.700 0.050 0.000 1.093 9 T CA 0.091 62.215 62.100 0.040 0.000 1.002 9 T CB 1.590 70.513 68.868 0.091 0.000 1.127 9 T HN 0.375 nan 8.240 nan 0.000 0.488 10 S N 3.153 118.906 115.700 0.089 0.000 2.638 10 S HA 0.825 5.295 4.470 -0.000 0.000 0.302 10 S C -3.066 171.645 174.600 0.186 0.000 1.096 10 S CA -1.635 56.601 58.200 0.060 0.000 0.953 10 S CB 1.180 64.382 63.200 0.004 0.000 1.107 10 S HN 0.543 nan 8.310 nan 0.000 0.503 11 P HA 0.246 nan 4.420 nan 0.000 0.268 11 P C -0.911 176.536 177.300 0.246 0.000 1.204 11 P CA -0.087 63.112 63.100 0.164 0.000 0.768 11 P CB -0.128 31.584 31.700 0.020 0.000 0.842 12 Y N 1.018 121.384 120.300 0.111 0.000 2.699 12 Y HA 0.779 5.329 4.550 -0.000 0.000 0.326 12 Y C -0.928 174.986 175.900 0.023 0.000 1.141 12 Y CA -1.552 56.581 58.100 0.056 0.000 1.246 12 Y CB 0.848 39.330 38.460 0.037 0.000 1.426 12 Y HN 0.041 nan 8.280 nan 0.000 0.559 13 L N 1.091 122.288 121.223 -0.042 0.000 2.346 13 L HA 0.815 5.155 4.340 -0.000 0.000 0.274 13 L C -0.110 176.512 176.870 -0.414 0.000 1.007 13 L CA -0.907 53.775 54.840 -0.264 0.000 0.818 13 L CB 2.089 44.066 42.059 -0.138 0.000 1.284 13 L HN 0.988 nan 8.230 nan 0.000 0.424 14 G N -0.393 108.075 108.800 -0.553 0.000 2.667 14 G HA2 0.512 4.472 3.960 -0.000 0.000 0.298 14 G HA3 0.512 4.472 3.960 -0.000 0.000 0.298 14 G C -0.686 173.941 174.900 -0.455 0.000 1.377 14 G CA -0.521 44.313 45.100 -0.442 0.000 0.964 14 G HN 0.483 nan 8.290 nan 0.000 0.493 15 T N -1.396 112.982 114.554 -0.293 0.000 2.867 15 T HA 0.369 4.719 4.350 -0.000 0.000 0.297 15 T C 0.285 174.969 174.700 -0.027 0.000 0.989 15 T CA -0.417 61.650 62.100 -0.055 0.000 1.159 15 T CB 0.738 69.674 68.868 0.113 0.000 0.928 15 T HN 0.672 nan 8.240 nan 0.000 0.538 16 c N 2.959 121.562 118.600 0.004 0.000 2.595 16 c HA 0.709 5.279 4.570 -0.000 0.000 0.338 16 c C 1.647 175.762 174.090 0.043 0.000 1.219 16 c CA -0.084 56.255 56.329 0.018 0.000 1.811 16 c CB 1.409 43.930 42.510 0.019 0.000 2.313 16 c HN 1.085 nan 8.230 nan 0.000 0.499 17 S N 0.300 116.033 115.700 0.055 0.000 2.511 17 S HA 0.205 4.675 4.470 -0.000 0.000 0.214 17 S C -0.306 174.373 174.600 0.132 0.000 0.997 17 S CA 0.070 58.309 58.200 0.066 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 0.539 120.838 120.300 -0.002 0.000 2.330 18 Y HA 0.454 5.003 4.550 -0.000 0.000 0.324 18 Y C -1.675 174.222 175.900 -0.005 0.000 1.093 18 Y CA -1.123 56.977 58.100 0.001 0.000 1.103 18 Y CB 1.237 39.686 38.460 -0.019 0.000 1.183 18 Y HN 0.121 nan 8.280 nan 0.000 0.433 19 c N 7.042 125.623 118.600 -0.032 0.000 3.328 19 c HA 0.337 4.906 4.570 -0.000 0.000 0.230 19 c C 0.581 174.677 174.090 0.009 0.000 1.232 19 c CA -0.469 55.894 56.329 0.057 0.000 1.431 19 c CB -0.993 41.570 42.510 0.089 0.000 1.818 19 c HN 1.178 nan 8.230 nan 0.000 0.484 20 H N 0.194 119.219 119.070 -0.075 0.000 4.807 20 H HA -0.161 4.395 4.556 -0.000 0.000 0.103 20 H C 0.346 175.319 175.328 -0.592 0.000 0.622 20 H CA 2.342 58.234 56.048 -0.260 0.000 1.203 20 H CB -0.858 28.694 29.762 -0.350 0.000 0.637 20 H HN 0.759 nan 8.280 nan 0.000 0.601 21 H N 0.017 119.007 119.070 -0.133 0.000 2.529 21 H HA 0.204 4.760 4.556 -0.000 0.000 0.348 21 H C 1.549 176.532 175.328 -0.574 0.000 1.079 21 H CA 0.442 56.342 56.048 -0.246 0.000 1.198 21 H CB 1.483 31.175 29.762 -0.117 0.000 1.521 21 H HN 0.227 nan 8.280 nan 0.000 0.514 22 T N -0.451 113.773 114.554 -0.551 0.000 2.946 22 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 22 T C 1.019 175.528 174.700 -0.318 0.000 1.129 22 T CA 0.347 62.031 62.100 -0.693 0.000 1.103 22 T CB -0.605 68.151 68.868 -0.187 0.000 0.839 22 T HN 0.198 nan 8.240 nan 0.000 0.544 23 V N 3.386 123.196 119.914 -0.173 0.000 2.572 23 V HA 0.254 4.374 4.120 -0.000 0.000 0.291 23 V C -2.037 174.033 176.094 -0.040 0.000 1.039 23 V CA -2.050 60.209 62.300 -0.068 0.000 1.055 23 V CB 0.533 32.335 31.823 -0.036 0.000 0.969 23 V HN 0.236 nan 8.190 nan 0.000 0.482 24 P HA 0.169 nan 4.420 nan 0.000 0.265 24 P C -0.200 177.136 177.300 0.060 0.000 1.193 24 P CA 0.033 63.151 63.100 0.031 0.000 0.765 24 P CB 0.361 32.076 31.700 0.025 0.000 0.823 25 c N 1.953 120.607 118.600 0.090 0.000 3.327 25 c HA 0.706 5.276 4.570 -0.000 0.000 0.366 25 c C -0.509 173.713 174.090 0.220 0.000 2.438 25 c CA -0.750 55.663 56.329 0.140 0.000 1.438 25 c CB 0.519 43.106 42.510 0.128 0.000 2.876 25 c HN 0.417 nan 8.230 nan 0.000 0.483 26 F N 2.408 122.386 119.950 0.047 0.000 2.566 26 F HA 0.490 5.017 4.527 -0.000 0.000 0.352 26 F C 0.424 176.256 175.800 0.052 0.000 1.534 26 F CA 0.072 58.102 58.000 0.051 0.000 1.097 26 F CB 0.265 39.300 39.000 0.058 0.000 1.488 26 F HN 0.943 nan 8.300 nan 0.000 0.562 27 S N 1.510 117.201 115.700 -0.015 0.000 2.722 27 S HA 0.761 5.230 4.470 -0.000 0.000 0.292 27 S C -2.770 171.776 174.600 -0.090 0.000 1.135 27 S CA -1.505 56.699 58.200 0.006 0.000 1.003 27 S CB 1.949 65.181 63.200 0.053 0.000 1.067 27 S HN 0.167 nan 8.310 nan 0.000 0.546 28 P HA 0.192 nan 4.420 nan 0.000 0.293 28 P C 0.224 177.473 177.300 -0.085 0.000 1.298 28 P CA -0.167 62.895 63.100 -0.063 0.000 0.757 28 P CB -0.063 31.702 31.700 0.109 0.000 1.262 29 V N -4.308 115.543 119.914 -0.105 0.000 4.112 29 V HA -0.213 3.907 4.120 -0.000 0.000 0.233 29 V C 0.932 176.976 176.094 -0.084 0.000 0.458 29 V CA 1.203 63.459 62.300 -0.074 0.000 0.909 29 V CB -2.149 29.648 31.823 -0.043 0.000 0.963 29 V HN 0.730 nan 8.190 nan 0.000 1.260 30 K N 1.498 121.805 120.400 -0.155 0.000 2.416 30 K HA 0.276 4.596 4.320 -0.000 0.000 0.283 30 K C 0.008 176.563 176.600 -0.076 0.000 1.037 30 K CA -0.200 56.010 56.287 -0.129 0.000 0.995 30 K CB 0.499 32.879 32.500 -0.201 0.000 0.938 30 K HN 0.612 nan 8.250 nan 0.000 0.475 31 I N 5.495 126.044 120.570 -0.035 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 -0.110 61.183 61.300 -0.012 0.000 1.324 31 I CB 0.919 38.912 38.000 -0.013 0.000 1.409 31 I HN 0.597 nan 8.210 nan 0.000 0.494 32 E N 4.731 124.938 120.200 0.011 0.000 2.132 32 E HA 0.130 4.480 4.350 -0.000 0.000 0.193 32 E C 0.310 176.894 176.600 -0.026 0.000 0.951 32 E CA 0.621 57.035 56.400 0.024 0.000 0.843 32 E CB 0.616 30.357 29.700 0.067 0.000 0.807 32 E HN 0.662 nan 8.360 nan 0.000 0.467 33 Q N -0.289 119.472 119.800 -0.065 0.000 2.626 33 Q HA 0.565 4.904 4.340 -0.000 0.000 0.300 33 Q C -1.447 174.369 176.000 -0.306 0.000 0.988 33 Q CA -0.651 54.984 55.803 -0.281 0.000 0.761 33 Q CB 3.241 31.667 28.738 -0.520 0.000 1.494 33 Q HN -0.120 nan 8.270 nan 0.000 0.439 34 V N 0.231 119.798 119.914 -0.579 0.000 3.048 34 V HA 0.474 4.594 4.120 -0.000 0.000 0.303 34 V C -1.736 174.099 176.094 -0.430 0.000 1.214 34 V CA -0.698 61.442 62.300 -0.267 0.000 0.984 34 V CB 2.494 34.259 31.823 -0.097 0.000 1.054 34 V HN 0.642 nan 8.190 nan 0.000 0.430 35 W N 2.122 123.458 121.300 0.059 0.000 2.600 35 W HA 0.504 5.163 4.660 -0.000 0.000 0.325 35 W C -0.841 175.752 176.519 0.124 0.000 1.034 35 W CA -0.440 56.967 57.345 0.103 0.000 1.226 35 W CB 2.064 31.613 29.460 0.148 0.000 1.379 35 W HN 0.597 nan 8.180 nan 0.000 0.466 36 D N 2.097 122.677 120.400 0.300 0.000 2.513 36 D HA 0.209 4.849 4.640 -0.000 0.000 0.295 36 D C 0.305 176.736 176.300 0.218 0.000 1.202 36 D CA 0.155 54.289 54.000 0.222 0.000 0.849 36 D CB 0.504 41.359 40.800 0.091 0.000 1.116 36 D HN 0.402 nan 8.370 nan 0.000 0.502 37 E N -0.065 120.320 120.200 0.308 0.000 2.568 37 E HA 0.301 4.651 4.350 -0.000 0.000 0.220 37 E C 0.562 177.201 176.600 0.064 0.000 0.869 37 E CA -0.380 56.135 56.400 0.191 0.000 1.268 37 E CB 0.868 30.723 29.700 0.258 0.000 1.252 37 E HN 0.309 nan 8.360 nan 0.000 0.606 38 A N 1.605 124.437 122.820 0.019 0.000 2.466 38 A HA -0.009 4.311 4.320 -0.000 0.000 0.238 38 A C 0.455 178.025 177.584 -0.023 0.000 1.074 38 A CA 0.094 52.056 52.037 -0.124 0.000 0.774 38 A CB 0.215 19.133 19.000 -0.138 0.000 1.015 38 A HN -0.020 nan 8.150 nan 0.000 0.498 39 D N 0.025 120.405 120.400 -0.033 0.000 2.194 39 D HA -0.029 4.611 4.640 -0.000 0.000 0.204 39 D C 0.510 176.826 176.300 0.025 0.000 0.964 39 D CA 0.901 54.897 54.000 -0.007 0.000 0.846 39 D CB -0.200 40.602 40.800 0.005 0.000 0.962 39 D HN 0.687 nan 8.370 nan 0.000 0.490 40 D N 0.370 120.788 120.400 0.031 0.000 2.362 40 D HA -0.089 4.551 4.640 -0.000 0.000 0.238 40 D C 0.406 176.750 176.300 0.073 0.000 1.212 40 D CA -0.034 54.005 54.000 0.066 0.000 0.902 40 D CB 0.468 41.301 40.800 0.056 0.000 1.180 40 D HN -0.256 nan 8.370 nan 0.000 0.445 41 N N 0.509 119.256 118.700 0.079 0.000 2.484 41 N HA 0.048 4.787 4.740 -0.000 0.000 0.245 41 N C -0.930 174.625 175.510 0.075 0.000 1.184 41 N CA -0.182 52.905 53.050 0.062 0.000 0.884 41 N CB -0.285 38.228 38.487 0.043 0.000 1.182 41 N HN 0.353 nan 8.380 nan 0.000 0.493 42 T N -2.193 112.436 114.554 0.125 0.000 2.944 42 T HA 0.672 5.021 4.350 -0.000 0.000 0.284 42 T C 0.059 174.865 174.700 0.175 0.000 1.010 42 T CA -0.728 61.456 62.100 0.140 0.000 1.025 42 T CB 1.722 70.703 68.868 0.187 0.000 1.079 42 T HN -0.059 nan 8.240 nan 0.000 0.516 43 I N 0.486 121.079 120.570 0.039 0.000 2.647 43 I HA 0.511 4.681 4.170 -0.000 0.000 0.295 43 I C -0.107 175.905 176.117 -0.174 0.000 1.078 43 I CA -0.854 60.437 61.300 -0.014 0.000 1.048 43 I CB 2.408 40.416 38.000 0.013 0.000 1.239 43 I HN 0.622 nan 8.210 nan 0.000 0.421 44 R N 6.122 126.518 120.500 -0.173 0.000 2.343 44 R HA 0.751 5.091 4.340 -0.000 0.000 0.320 44 R C -1.520 174.971 176.300 0.319 0.000 0.956 44 R CA -0.426 55.650 56.100 -0.040 0.000 0.836 44 R CB 0.910 31.074 30.300 -0.227 0.000 1.151 44 R HN 0.629 nan 8.270 nan 0.000 0.450 45 I N 3.407 124.167 120.570 0.316 0.000 2.441 45 I HA 0.227 4.396 4.170 -0.000 0.000 0.295 45 I C -0.387 175.957 176.117 0.379 0.000 0.994 45 I CA -0.706 60.776 61.300 0.303 0.000 1.144 45 I CB 2.117 40.217 38.000 0.167 0.000 1.314 45 I HN 0.546 nan 8.210 nan 0.000 0.445 46 Q N 5.884 125.855 119.800 0.286 0.000 2.425 46 Q HA 0.363 4.702 4.340 -0.000 0.000 0.254 46 Q C -0.546 175.461 176.000 0.011 0.000 1.032 46 Q CA -0.586 55.242 55.803 0.042 0.000 0.798 46 Q CB 1.229 30.050 28.738 0.137 0.000 1.210 46 Q HN 0.831 nan 8.270 nan 0.000 0.491 47 T N -0.853 113.718 114.554 0.028 0.000 2.893 47 T HA 0.349 4.699 4.350 -0.000 0.000 0.279 47 T C 1.001 175.724 174.700 0.038 0.000 0.991 47 T CA -0.005 62.118 62.100 0.040 0.000 0.950 47 T CB 1.262 70.191 68.868 0.100 0.000 1.223 47 T HN 0.477 nan 8.240 nan 0.000 0.585 48 S N -1.098 114.544 115.700 -0.097 0.000 2.524 48 S HA 0.484 4.953 4.470 -0.000 0.000 0.215 48 S C 0.785 175.320 174.600 -0.109 0.000 0.986 48 S CA -0.238 57.783 58.200 -0.298 0.000 0.911 48 S CB -0.397 62.227 63.200 -0.960 0.000 0.805 48 S HN 1.086 nan 8.310 nan 0.000 0.501 49 A N 1.283 123.990 122.820 -0.187 0.000 2.303 49 A HA 0.654 4.974 4.320 -0.000 0.000 0.317 49 A C -0.205 176.916 177.584 -0.771 0.000 1.149 49 A CA -0.696 51.138 52.037 -0.338 0.000 0.822 49 A CB 0.697 19.527 19.000 -0.282 0.000 1.131 49 A HN 0.502 nan 8.150 nan 0.000 0.493 50 Q N 0.380 119.788 119.800 -0.654 0.000 2.230 50 Q HA 0.563 4.903 4.340 -0.000 0.000 0.253 50 Q C -1.529 174.188 176.000 -0.471 0.000 0.919 50 Q CA 0.144 55.552 55.803 -0.658 0.000 0.908 50 Q CB 1.421 29.935 28.738 -0.374 0.000 1.245 50 Q HN 0.658 nan 8.270 nan 0.000 0.437 51 F N -0.999 119.012 119.950 0.101 0.000 2.556 51 F HA 0.552 5.079 4.527 -0.000 0.000 0.327 51 F C 1.149 176.840 175.800 -0.180 0.000 1.059 51 F CA -0.479 57.536 58.000 0.024 0.000 0.953 51 F CB 2.009 40.985 39.000 -0.040 0.000 1.227 51 F HN 0.748 nan 8.300 nan 0.000 0.478 52 G N 0.618 109.362 108.800 -0.093 0.000 2.176 52 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.253 52 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.253 52 G C -0.789 173.673 174.900 -0.731 0.000 0.979 52 G CA -0.249 44.575 45.100 -0.459 0.000 0.641 52 G HN 0.614 nan 8.290 nan 0.000 0.530 53 Y N 0.341 120.693 120.300 0.086 0.000 2.553 53 Y HA 0.558 5.108 4.550 -0.000 0.000 0.347 53 Y C 0.711 176.621 175.900 0.018 0.000 1.019 53 Y CA -0.779 57.351 58.100 0.049 0.000 1.032 53 Y CB 1.324 39.804 38.460 0.033 0.000 1.284 53 Y HN 0.119 nan 8.280 nan 0.000 0.466 54 D N -0.283 120.213 120.400 0.160 0.000 2.502 54 D HA -0.023 4.616 4.640 -0.000 0.000 0.271 54 D C 1.116 177.442 176.300 0.044 0.000 1.228 54 D CA 0.722 54.759 54.000 0.061 0.000 1.032 54 D CB -0.201 40.623 40.800 0.040 0.000 0.925 54 D HN 0.460 nan 8.370 nan 0.000 0.248 55 Q N 0.009 119.826 119.800 0.028 0.000 2.062 55 Q HA 0.137 4.477 4.340 -0.000 0.000 0.196 55 Q C 0.927 176.938 176.000 0.018 0.000 0.967 55 Q CA 0.703 56.513 55.803 0.010 0.000 0.832 55 Q CB -0.038 28.701 28.738 0.001 0.000 0.899 55 Q HN 0.282 nan 8.270 nan 0.000 0.442 56 S N -0.608 115.113 115.700 0.035 0.000 2.738 56 S HA 0.482 4.952 4.470 -0.000 0.000 0.284 56 S C 0.393 175.029 174.600 0.061 0.000 1.146 56 S CA -0.460 57.759 58.200 0.033 0.000 0.997 56 S CB 1.262 64.481 63.200 0.032 0.000 1.081 56 S HN 0.360 nan 8.310 nan 0.000 0.553 57 G N 0.389 109.199 108.800 0.017 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 0.131 175.156 174.900 0.208 0.000 0.764 57 G CA -0.002 45.058 45.100 -0.067 0.000 2.029 57 G HN 0.738 nan 8.290 nan 0.000 0.587 58 A N 1.316 124.357 122.820 0.368 0.000 3.444 58 A HA 0.917 5.237 4.320 -0.000 0.000 0.189 58 A C 0.693 178.486 177.584 0.348 0.000 1.542 58 A CA -0.009 52.211 52.037 0.305 0.000 0.867 58 A CB 0.797 19.898 19.000 0.170 0.000 1.712 58 A HN 1.288 nan 8.150 nan 0.000 0.556 59 A N 0.836 123.765 122.820 0.182 0.000 3.165 59 A HA 0.554 4.874 4.320 -0.000 0.000 0.331 59 A C -0.027 177.587 177.584 0.050 0.000 1.034 59 A CA 0.119 52.221 52.037 0.108 0.000 0.906 59 A CB -0.724 18.343 19.000 0.110 0.000 1.054 59 A HN 1.183 nan 8.150 nan 0.000 0.484 60 S N 0.561 116.270 115.700 0.016 0.000 2.415 60 S HA 0.500 4.970 4.470 -0.000 0.000 0.313 60 S C 1.159 175.754 174.600 -0.008 0.000 1.067 60 S CA -0.008 58.199 58.200 0.011 0.000 1.099 60 S CB 1.345 64.558 63.200 0.020 0.000 0.991 60 S HN 0.994 nan 8.310 nan 0.000 0.491 61 A N 2.928 125.762 122.820 0.024 0.000 1.986 61 A HA -0.152 4.167 4.320 -0.000 0.000 0.220 61 A C 1.449 179.088 177.584 0.091 0.000 1.171 61 A CA 1.810 53.882 52.037 0.058 0.000 0.640 61 A CB -0.575 18.463 19.000 0.062 0.000 0.811 61 A HN 0.772 nan 8.150 nan 0.000 0.451 62 N N -0.589 118.146 118.700 0.057 0.000 2.642 62 N HA 0.189 4.929 4.740 -0.000 0.000 0.308 62 N C -1.305 174.224 175.510 0.032 0.000 1.914 62 N CA -0.214 52.868 53.050 0.053 0.000 0.893 62 N CB 0.181 38.707 38.487 0.065 0.000 1.322 62 N HN 0.064 nan 8.380 nan 0.000 0.490 63 K N 0.964 121.378 120.400 0.024 0.000 2.527 63 K HA 0.283 4.603 4.320 -0.000 0.000 0.260 63 K C -1.389 175.276 176.600 0.108 0.000 0.937 63 K CA -0.589 55.716 56.287 0.031 0.000 0.826 63 K CB 1.789 34.283 32.500 -0.009 0.000 1.359 63 K HN 0.234 nan 8.250 nan 0.000 0.434 64 Y N -0.918 119.413 120.300 0.051 0.000 2.662 64 Y HA 0.764 5.314 4.550 -0.000 0.000 0.335 64 Y C -0.408 175.561 175.900 0.114 0.000 1.066 64 Y CA -1.276 56.885 58.100 0.102 0.000 1.116 64 Y CB 1.497 40.080 38.460 0.205 0.000 1.308 64 Y HN 0.593 nan 8.280 nan 0.000 0.502 65 R N 0.573 121.189 120.500 0.195 0.000 2.799 65 R HA 0.735 5.075 4.340 -0.000 0.000 0.270 65 R C -2.024 174.475 176.300 0.332 0.000 1.010 65 R CA -0.837 55.375 56.100 0.186 0.000 0.916 65 R CB 2.375 32.716 30.300 0.069 0.000 1.228 65 R HN 0.975 nan 8.270 nan 0.000 0.469 69 L N 1.456 122.731 121.223 0.087 0.000 2.093 69 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 69 L C 1.636 178.561 176.870 0.091 0.000 1.085 69 L CA 1.967 56.879 54.840 0.120 0.000 0.755 69 L CB -0.633 41.493 42.059 0.112 0.000 0.904 69 L HN 0.666 nan 8.230 nan 0.000 0.435 70 K N -0.971 119.463 120.400 0.057 0.000 3.383 70 K HA 0.002 4.322 4.320 -0.000 0.000 0.164 70 K C 0.789 177.421 176.600 0.054 0.000 1.145 70 K CA 0.211 56.523 56.287 0.041 0.000 1.507 70 K CB 0.315 32.822 32.500 0.011 0.000 2.086 70 K HN 0.034 nan 8.250 nan 0.000 0.502 71 Q N 0.022 119.835 119.800 0.021 0.000 1.820 71 Q HA 0.017 4.357 4.340 -0.000 0.000 0.179 71 Q C -0.911 175.054 176.000 -0.057 0.000 0.798 71 Q CA 0.161 55.979 55.803 0.026 0.000 0.887 71 Q CB 0.848 29.599 28.738 0.023 0.000 1.240 71 Q HN 0.500 nan 8.270 nan 0.000 0.394 72 D N -0.087 120.287 120.400 -0.044 0.000 2.379 72 D HA -0.073 4.566 4.640 -0.000 0.000 0.243 72 D C -0.035 176.264 176.300 -0.003 0.000 1.088 72 D CA 0.347 54.304 54.000 -0.071 0.000 0.925 72 D CB 0.011 40.790 40.800 -0.034 0.000 0.888 72 D HN 0.192 nan 8.370 nan 0.000 0.529 73 H N -1.638 117.432 119.070 -0.001 0.000 3.179 73 H HA -0.153 4.403 4.556 -0.000 0.000 0.250 73 H C -0.344 174.965 175.328 -0.032 0.000 1.142 73 H CA 0.903 56.949 56.048 -0.004 0.000 1.165 73 H CB -2.742 27.023 29.762 0.006 0.000 1.253 73 H HN 0.235 nan 8.280 nan 0.000 0.325 74 T N -0.001 114.590 114.554 0.060 0.000 2.754 74 T HA 0.345 4.694 4.350 -0.000 0.000 0.282 74 T C 1.055 175.700 174.700 -0.092 0.000 0.923 74 T CA -0.094 61.995 62.100 -0.018 0.000 1.164 74 T CB 1.056 69.900 68.868 -0.040 0.000 0.873 74 T HN 0.128 nan 8.240 nan 0.000 0.537 75 V N 5.216 125.077 119.914 -0.089 0.000 2.096 75 V HA 0.135 4.255 4.120 -0.000 0.000 0.259 75 V C 1.099 177.085 176.094 -0.179 0.000 1.420 75 V CA -0.894 61.317 62.300 -0.148 0.000 1.336 75 V CB -1.288 30.488 31.823 -0.078 0.000 1.394 75 V HN 0.822 nan 8.190 nan 0.000 0.494 76 K N 2.116 122.338 120.400 -0.297 0.000 2.138 76 K HA 0.518 4.838 4.320 -0.000 0.000 0.251 76 K C -0.095 176.436 176.600 -0.114 0.000 1.015 76 K CA -0.592 55.577 56.287 -0.197 0.000 0.917 76 K CB 1.677 34.085 32.500 -0.154 0.000 1.021 76 K HN 0.558 nan 8.250 nan 0.000 0.485 77 E N 0.030 120.228 120.200 -0.004 0.000 2.336 77 E HA 0.519 4.869 4.350 -0.000 0.000 0.267 77 E C -0.988 175.513 176.600 -0.166 0.000 0.906 77 E CA -1.091 55.269 56.400 -0.068 0.000 0.781 77 E CB 2.069 31.711 29.700 -0.097 0.000 1.261 77 E HN 0.801 nan 8.360 nan 0.000 0.436 78 G N 0.293 108.707 108.800 -0.644 0.000 3.022 78 G HA2 0.416 4.376 3.960 -0.000 0.000 0.284 78 G HA3 0.416 4.376 3.960 -0.000 0.000 0.284 78 G C -0.898 173.721 174.900 -0.467 0.000 1.375 78 G CA -0.253 44.513 45.100 -0.557 0.000 0.902 78 G HN 0.490 nan 8.290 nan 0.000 0.538 82 D N 0.589 121.008 120.400 0.032 0.000 2.388 82 D HA 0.281 4.921 4.640 -0.000 0.000 0.221 82 D C 0.136 176.385 176.300 -0.086 0.000 1.133 82 D CA 0.038 54.039 54.000 0.001 0.000 0.831 82 D CB 0.929 41.760 40.800 0.051 0.000 0.962 82 D HN 0.383 nan 8.370 nan 0.000 0.502 83 I N 1.389 121.855 120.570 -0.173 0.000 2.312 83 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 83 I C 0.240 176.256 176.117 -0.169 0.000 1.008 83 I CA -0.329 60.817 61.300 -0.257 0.000 1.226 83 I CB 0.958 38.691 38.000 -0.445 0.000 1.371 83 I HN -0.472 nan 8.210 nan 0.000 0.468 84 K N 7.135 127.460 120.400 -0.124 0.000 2.371 84 K HA 0.654 4.974 4.320 -0.000 0.000 0.251 84 K C -0.890 175.661 176.600 -0.082 0.000 0.934 84 K CA -0.810 55.426 56.287 -0.086 0.000 0.798 84 K CB 3.124 35.590 32.500 -0.057 0.000 1.204 84 K HN 0.444 nan 8.250 nan 0.000 0.427 85 I N 1.196 121.724 120.570 -0.070 0.000 2.676 85 I HA 0.320 4.490 4.170 -0.000 0.000 0.309 85 I C 0.143 176.225 176.117 -0.059 0.000 0.990 85 I CA -0.469 60.793 61.300 -0.063 0.000 1.168 85 I CB 1.882 39.849 38.000 -0.054 0.000 1.343 85 I HN 0.718 nan 8.210 nan 0.000 0.482 86 S N 0.828 116.490 115.700 -0.063 0.000 2.543 86 S HA 0.481 4.951 4.470 -0.000 0.000 0.274 86 S C -0.292 174.265 174.600 -0.072 0.000 1.149 86 S CA -0.189 57.973 58.200 -0.064 0.000 0.866 86 S CB 1.880 65.039 63.200 -0.069 0.000 1.111 86 S HN 0.770 nan 8.310 nan 0.000 0.457 87 T N -1.750 112.765 114.554 -0.066 0.000 3.397 87 T HA 0.374 4.724 4.350 -0.000 0.000 0.233 87 T C 1.205 175.857 174.700 -0.080 0.000 0.969 87 T CA 0.778 62.834 62.100 -0.073 0.000 1.316 87 T CB -0.305 68.528 68.868 -0.057 0.000 1.175 87 T HN 1.075 nan 8.240 nan 0.000 0.381 88 S N 0.646 116.308 115.700 -0.063 0.000 2.937 88 S HA 0.653 5.123 4.470 -0.000 0.000 0.252 88 S C 0.303 174.875 174.600 -0.046 0.000 1.022 88 S CA 0.199 58.363 58.200 -0.060 0.000 1.079 88 S CB -0.109 63.058 63.200 -0.055 0.000 1.035 88 S HN 1.078 nan 8.310 nan 0.000 0.594 89 G N 1.350 110.124 108.800 -0.044 0.000 2.578 89 G HA2 0.530 4.490 3.960 -0.000 0.000 0.302 89 G HA3 0.530 4.490 3.960 -0.000 0.000 0.302 89 G C -3.377 171.502 174.900 -0.034 0.000 1.243 89 G CA -0.701 44.378 45.100 -0.035 0.000 0.843 89 G HN 0.200 nan 8.290 nan 0.000 0.486 90 P HA 0.529 nan 4.420 nan 0.000 0.272 90 P C -0.774 176.508 177.300 -0.030 0.000 1.240 90 P CA -0.256 62.828 63.100 -0.027 0.000 0.791 90 P CB 0.953 32.641 31.700 -0.021 0.000 0.978 91 c N 1.397 119.977 118.600 -0.033 0.000 2.701 91 c HA 0.419 4.988 4.570 -0.000 0.000 0.336 91 c C -0.678 173.391 174.090 -0.035 0.000 1.123 91 c CA -0.663 55.646 56.329 -0.034 0.000 1.326 91 c CB 1.553 44.039 42.510 -0.040 0.000 1.833 91 c HN 0.461 nan 8.230 nan 0.000 0.473 92 R N 3.005 123.484 120.500 -0.035 0.000 2.265 92 R HA 0.403 4.743 4.340 -0.000 0.000 0.328 92 R C 0.292 176.558 176.300 -0.055 0.000 0.969 92 R CA -0.424 55.654 56.100 -0.038 0.000 0.832 92 R CB 0.949 31.229 30.300 -0.033 0.000 1.139 92 R HN 0.839 nan 8.270 nan 0.000 0.457 93 R N 2.224 122.690 120.500 -0.057 0.000 2.863 93 R HA 0.112 4.451 4.340 -0.000 0.000 0.273 93 R C 0.110 176.325 176.300 -0.143 0.000 1.057 93 R CA -0.423 55.622 56.100 -0.091 0.000 1.191 93 R CB 0.557 30.833 30.300 -0.040 0.000 1.104 93 R HN 0.430 nan 8.270 nan 0.000 0.519 94 L N -0.501 120.587 121.223 -0.225 0.000 2.678 94 L HA 0.156 4.496 4.340 -0.000 0.000 0.211 94 L C 0.011 176.651 176.870 -0.384 0.000 1.043 94 L CA 1.116 55.803 54.840 -0.255 0.000 0.881 94 L CB -0.057 41.874 42.059 -0.212 0.000 1.361 94 L HN 0.945 nan 8.230 nan 0.000 0.484 95 S N -1.192 114.244 115.700 -0.440 0.000 2.569 95 S HA 0.664 5.134 4.470 -0.000 0.000 0.280 95 S C -1.489 172.979 174.600 -0.220 0.000 1.111 95 S CA -0.542 57.420 58.200 -0.397 0.000 0.887 95 S CB 1.846 64.978 63.200 -0.112 0.000 1.095 95 S HN 0.089 nan 8.310 nan 0.000 0.476 96 Y N 0.333 120.742 120.300 0.182 0.000 2.335 96 Y HA 0.736 5.285 4.550 -0.000 0.000 0.338 96 Y C 0.235 176.350 175.900 0.358 0.000 0.977 96 Y CA -1.284 56.941 58.100 0.208 0.000 1.114 96 Y CB 1.579 40.066 38.460 0.044 0.000 1.182 96 Y HN 0.711 nan 8.280 nan 0.000 0.463 97 K N 2.062 122.822 120.400 0.600 0.000 3.022 97 K HA 0.499 4.819 4.320 -0.000 0.000 0.178 97 K C 0.736 177.607 176.600 0.452 0.000 1.089 97 K CA 0.268 56.734 56.287 0.299 0.000 0.916 97 K CB 0.166 32.488 32.500 -0.297 0.000 1.159 97 K HN 0.862 nan 8.250 nan 0.000 0.592 98 G N 1.296 110.368 108.800 0.454 0.000 3.729 98 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.327 98 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.327 98 G C 0.798 175.785 174.900 0.146 0.000 1.293 98 G CA 0.810 46.131 45.100 0.367 0.000 1.011 98 G HN 0.457 nan 8.290 nan 0.000 0.673 99 Y N 1.007 121.476 120.300 0.280 0.000 2.482 99 Y HA 0.543 5.092 4.550 -0.000 0.000 0.270 99 Y C 1.110 177.043 175.900 0.055 0.000 1.152 99 Y CA 0.133 58.246 58.100 0.021 0.000 1.292 99 Y CB 0.228 38.613 38.460 -0.124 0.000 1.070 99 Y HN 0.216 nan 8.280 nan 0.000 0.528 100 F N 0.165 120.422 119.950 0.511 0.000 2.458 100 F HA 0.534 5.061 4.527 -0.000 0.000 0.330 100 F C -0.175 175.973 175.800 0.580 0.000 1.082 100 F CA -1.025 57.277 58.000 0.505 0.000 0.995 100 F CB 1.174 40.405 39.000 0.384 0.000 1.170 100 F HN -0.383 nan 8.300 nan 0.000 0.478 101 L N 2.869 124.444 121.223 0.587 0.000 2.303 101 L HA 0.708 5.048 4.340 -0.000 0.000 0.266 101 L C -1.282 175.664 176.870 0.127 0.000 1.011 101 L CA -1.201 53.817 54.840 0.296 0.000 0.818 101 L CB 2.524 44.660 42.059 0.128 0.000 1.326 101 L HN 0.536 nan 8.230 nan 0.000 0.435 102 L N 1.617 122.755 121.223 -0.142 0.000 2.580 102 L HA 0.761 5.100 4.340 -0.000 0.000 0.266 102 L C -1.204 175.518 176.870 -0.247 0.000 0.955 102 L CA 0.059 54.693 54.840 -0.343 0.000 0.886 102 L CB 1.524 43.033 42.059 -0.917 0.000 1.263 102 L HN 0.762 nan 8.230 nan 0.000 0.406 103 A N 4.171 126.901 122.820 -0.150 0.000 2.564 103 A HA 0.733 5.053 4.320 -0.000 0.000 0.288 103 A C -1.541 176.006 177.584 -0.061 0.000 1.164 103 A CA -0.789 51.188 52.037 -0.101 0.000 0.712 103 A CB 1.965 20.923 19.000 -0.071 0.000 1.303 103 A HN 0.553 nan 8.150 nan 0.000 0.418 104 K N 0.257 120.632 120.400 -0.042 0.000 2.265 104 K HA 0.572 4.892 4.320 -0.000 0.000 0.267 104 K C -1.444 175.145 176.600 -0.017 0.000 0.994 104 K CA -0.251 56.027 56.287 -0.015 0.000 0.860 104 K CB 1.155 33.651 32.500 -0.007 0.000 1.099 104 K HN 0.704 nan 8.250 nan 0.000 0.448 105 c N 3.691 122.284 118.600 -0.011 0.000 2.719 105 c HA 0.488 5.058 4.570 -0.000 0.000 0.327 105 c C -1.430 172.650 174.090 -0.015 0.000 1.238 105 c CA -1.469 54.849 56.329 -0.018 0.000 1.727 105 c CB 1.562 44.058 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 0.200 106 P C -1.593 175.690 177.300 -0.027 0.000 1.204 106 P CA 1.131 64.218 63.100 -0.023 0.000 0.886 106 P CB -0.984 30.702 31.700 -0.024 0.000 0.718 107 P HA 0.082 nan 4.420 nan 0.000 0.203 107 P C 0.432 177.709 177.300 -0.037 0.000 1.211 107 P CA 1.618 64.696 63.100 -0.036 0.000 0.913 107 P CB -0.486 31.190 31.700 -0.040 0.000 0.745 108 G N -0.285 108.490 108.800 -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 0.028 174.898 174.900 -0.050 0.000 1.098 108 G CA 0.081 45.156 45.100 -0.043 0.000 0.812 108 G HN 0.261 nan 8.290 nan 0.000 0.497 109 D N -0.018 120.347 120.400 -0.058 0.000 2.338 109 D HA 0.236 4.875 4.640 -0.000 0.000 0.224 109 D C 1.722 177.977 176.300 -0.076 0.000 0.967 109 D CA 1.712 55.674 54.000 -0.064 0.000 0.896 109 D CB 0.657 41.418 40.800 -0.065 0.000 1.028 109 D HN 0.805 nan 8.370 nan 0.000 0.493 110 S N -1.375 114.271 115.700 -0.090 0.000 2.776 110 S HA 0.682 5.152 4.470 -0.000 0.000 0.292 110 S C -1.162 173.379 174.600 -0.098 0.000 1.187 110 S CA -0.744 57.394 58.200 -0.104 0.000 0.834 110 S CB 1.960 65.070 63.200 -0.150 0.000 1.199 110 S HN -0.191 nan 8.310 nan 0.000 0.514 111 V N 1.141 120.995 119.914 -0.099 0.000 2.638 111 V HA 0.683 4.803 4.120 -0.000 0.000 0.306 111 V C -0.872 175.164 176.094 -0.096 0.000 1.052 111 V CA -0.421 61.829 62.300 -0.083 0.000 0.885 111 V CB 1.804 33.595 31.823 -0.054 0.000 0.999 111 V HN 1.035 nan 8.190 nan 0.000 0.424 112 T N 3.893 118.388 114.554 -0.099 0.000 2.864 112 T HA 0.536 4.886 4.350 -0.000 0.000 0.299 112 T C -0.509 174.139 174.700 -0.086 0.000 1.011 112 T CA -0.399 61.635 62.100 -0.110 0.000 0.975 112 T CB 1.464 70.239 68.868 -0.155 0.000 0.962 112 T HN 0.349 nan 8.240 nan 0.000 0.448 113 V N 3.911 123.785 119.914 -0.067 0.000 2.398 113 V HA 0.794 4.914 4.120 -0.000 0.000 0.286 113 V C 0.127 176.179 176.094 -0.071 0.000 1.026 113 V CA -0.639 61.628 62.300 -0.055 0.000 0.868 113 V CB 1.266 33.081 31.823 -0.014 0.000 0.982 113 V HN 1.065 nan 8.190 nan 0.000 0.443 114 S N 4.663 120.312 115.700 -0.085 0.000 2.607 114 S HA 0.793 5.263 4.470 -0.000 0.000 0.273 114 S C -1.054 173.491 174.600 -0.091 0.000 1.148 114 S CA -0.922 57.228 58.200 -0.083 0.000 0.833 114 S CB 1.993 65.127 63.200 -0.110 0.000 1.130 114 S HN 0.455 nan 8.310 nan 0.000 0.470 115 I N 1.711 122.240 120.570 -0.069 0.000 2.378 115 I HA 0.407 4.576 4.170 -0.000 0.000 0.291 115 I C -0.192 175.921 176.117 -0.007 0.000 0.992 115 I CA -1.187 60.055 61.300 -0.095 0.000 1.154 115 I CB 1.981 39.883 38.000 -0.162 0.000 1.315 115 I HN 0.644 nan 8.210 nan 0.000 0.448 116 V N 1.821 121.732 119.914 -0.005 0.000 2.776 116 V HA 0.263 4.382 4.120 -0.000 0.000 0.332 116 V C 0.718 176.825 176.094 0.021 0.000 1.201 116 V CA -0.224 62.091 62.300 0.025 0.000 1.401 116 V CB 0.093 31.933 31.823 0.027 0.000 1.552 116 V HN 0.822 nan 8.190 nan 0.000 0.605 117 S N 2.525 118.241 115.700 0.027 0.000 2.110 117 S HA 0.029 4.499 4.470 -0.000 0.000 0.152 117 S C 1.420 176.041 174.600 0.035 0.000 1.404 117 S CA 0.969 59.196 58.200 0.044 0.000 2.390 117 S CB -0.067 63.172 63.200 0.065 0.000 0.276 117 S HN 1.161 nan 8.310 nan 0.000 0.349 118 S N 1.269 116.992 115.700 0.039 0.000 3.812 118 S HA 0.390 4.860 4.470 -0.000 0.000 0.195 118 S C 0.125 174.739 174.600 0.024 0.000 1.460 118 S CA -0.262 57.956 58.200 0.031 0.000 1.052 118 S CB -0.682 62.538 63.200 0.034 0.000 1.385 118 S HN 0.655 nan 8.310 nan 0.000 0.490 119 N N 0.209 118.918 118.700 0.014 0.000 2.849 119 N HA -0.181 4.559 4.740 -0.000 0.000 0.200 119 N C -0.164 175.341 175.510 -0.008 0.000 1.129 119 N CA 1.866 54.917 53.050 0.001 0.000 1.320 119 N CB -1.945 36.544 38.487 0.004 0.000 0.945 119 N HN 0.802 nan 8.380 nan 0.000 0.554 120 S N 0.402 116.110 115.700 0.013 0.000 2.465 120 S HA 0.628 5.097 4.470 -0.000 0.000 0.280 120 S C 0.281 174.887 174.600 0.010 0.000 1.232 120 S CA -0.038 58.173 58.200 0.018 0.000 1.066 120 S CB 1.635 64.868 63.200 0.055 0.000 0.929 120 S HN 0.578 nan 8.310 nan 0.000 0.494 121 A N 3.850 126.650 122.820 -0.033 0.000 2.431 121 A HA 0.625 4.944 4.320 -0.000 0.000 0.318 121 A C 0.302 177.960 177.584 0.123 0.000 1.330 121 A CA -0.879 51.147 52.037 -0.019 0.000 0.804 121 A CB 0.295 19.142 19.000 -0.254 0.000 1.135 121 A HN 0.797 nan 8.150 nan 0.000 0.483 122 T N 0.370 115.027 114.554 0.173 0.000 2.867 122 T HA 0.742 5.091 4.350 -0.000 0.000 0.282 122 T C -0.035 174.759 174.700 0.156 0.000 1.000 122 T CA -0.363 61.854 62.100 0.195 0.000 1.042 122 T CB 1.348 70.285 68.868 0.114 0.000 0.973 122 T HN 1.349 nan 8.240 nan 0.000 0.465 123 S N 0.685 116.441 115.700 0.093 0.000 2.652 123 S HA 0.429 4.899 4.470 -0.000 0.000 0.273 123 S C -0.535 174.058 174.600 -0.011 0.000 1.172 123 S CA -1.059 57.107 58.200 -0.056 0.000 1.009 123 S CB 0.538 63.543 63.200 -0.326 0.000 1.094 123 S HN 1.089 nan 8.310 nan 0.000 0.471 124 c N 3.698 122.293 118.600 -0.010 0.000 2.405 124 c HA 0.919 5.489 4.570 -0.000 0.000 0.365 124 c C 0.604 174.690 174.090 -0.007 0.000 1.233 124 c CA 0.638 56.976 56.329 0.014 0.000 2.230 124 c CB 0.424 42.929 42.510 -0.008 0.000 2.443 124 c HN 1.181 nan 8.230 nan 0.000 0.556 125 T N 5.026 119.588 114.554 0.014 0.000 2.909 125 T HA 0.624 4.974 4.350 -0.000 0.000 0.299 125 T C -1.293 173.377 174.700 -0.050 0.000 1.073 125 T CA -0.628 61.434 62.100 -0.063 0.000 0.999 125 T CB 1.423 70.175 68.868 -0.193 0.000 1.098 125 T HN 0.843 nan 8.240 nan 0.000 0.477 126 L N 3.145 124.326 121.223 -0.071 0.000 2.342 126 L HA 0.878 5.218 4.340 -0.000 0.000 0.271 126 L C 0.249 177.075 176.870 -0.073 0.000 1.008 126 L CA -0.614 54.193 54.840 -0.055 0.000 0.818 126 L CB 1.692 43.723 42.059 -0.048 0.000 1.296 126 L HN 0.917 nan 8.230 nan 0.000 0.427 127 A N 4.954 127.739 122.820 -0.058 0.000 3.135 127 A HA 0.382 4.702 4.320 -0.000 0.000 0.253 127 A C 0.351 177.899 177.584 -0.061 0.000 1.638 127 A CA -0.312 51.688 52.037 -0.062 0.000 1.295 127 A CB -0.748 18.225 19.000 -0.046 0.000 1.106 127 A HN 0.652 nan 8.150 nan 0.000 0.648 128 R N 0.460 120.920 120.500 -0.066 0.000 2.668 128 R HA 0.462 4.801 4.340 -0.000 0.000 0.279 128 R C -0.737 175.528 176.300 -0.059 0.000 0.976 128 R CA -0.591 55.470 56.100 -0.065 0.000 0.978 128 R CB 1.099 31.356 30.300 -0.072 0.000 1.133 128 R HN 0.368 nan 8.270 nan 0.000 0.484 129 K N 4.269 124.637 120.400 -0.054 0.000 2.316 129 K HA 0.333 4.653 4.320 -0.000 0.000 0.267 129 K C -0.740 175.835 176.600 -0.042 0.000 1.025 129 K CA -0.422 55.836 56.287 -0.049 0.000 0.896 129 K CB 0.714 33.186 32.500 -0.047 0.000 1.124 129 K HN 0.443 nan 8.250 nan 0.000 0.451 130 I N 3.435 123.983 120.570 -0.038 0.000 2.499 130 I HA 0.296 4.466 4.170 -0.000 0.000 0.296 130 I C -0.113 175.984 176.117 -0.034 0.000 0.992 130 I CA -0.709 60.574 61.300 -0.028 0.000 1.297 130 I CB 1.445 39.433 38.000 -0.020 0.000 1.410 130 I HN 0.387 nan 8.210 nan 0.000 0.507 131 K N 4.947 125.327 120.400 -0.034 0.000 2.267 131 K HA 0.509 4.829 4.320 -0.000 0.000 0.246 131 K C -2.590 173.983 176.600 -0.044 0.000 0.954 131 K CA -1.739 54.521 56.287 -0.046 0.000 0.824 131 K CB 1.136 33.600 32.500 -0.059 0.000 1.167 131 K HN 0.242 nan 8.250 nan 0.000 0.431 132 P HA 0.027 nan 4.420 nan 0.000 0.265 132 P C -1.287 175.982 177.300 -0.050 0.000 1.222 132 P CA 0.019 63.093 63.100 -0.043 0.000 0.767 132 P CB 0.343 32.020 31.700 -0.039 0.000 0.801 133 K N 3.933 124.301 120.400 -0.054 0.000 2.265 133 K HA 0.482 4.802 4.320 -0.000 0.000 0.267 133 K C -0.549 175.996 176.600 -0.093 0.000 0.994 133 K CA -0.618 55.617 56.287 -0.087 0.000 0.860 133 K CB 0.917 33.384 32.500 -0.055 0.000 1.099 133 K HN 0.428 nan 8.250 nan 0.000 0.448 134 F N 0.636 120.432 119.950 -0.257 0.000 2.539 134 F HA 0.340 4.867 4.527 -0.000 0.000 0.318 134 F C 0.340 176.090 175.800 -0.083 0.000 1.135 134 F CA -1.122 56.638 58.000 -0.399 0.000 0.915 134 F CB 0.834 39.368 39.000 -0.778 0.000 1.176 134 F HN 0.228 nan 8.300 nan 0.000 0.440 135 V N 4.381 124.372 119.914 0.127 0.000 2.346 135 V HA 0.196 4.315 4.120 -0.000 0.000 0.244 135 V C 1.594 177.773 176.094 0.141 0.000 1.037 135 V CA 1.814 64.155 62.300 0.068 0.000 1.029 135 V CB -0.731 31.177 31.823 0.141 0.000 0.663 135 V HN 1.100 nan 8.190 nan 0.000 0.454 136 G N -0.250 108.814 108.800 0.439 0.000 2.680 136 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.274 136 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.274 136 G C 0.555 175.688 174.900 0.390 0.000 1.292 136 G CA -0.168 45.148 45.100 0.359 0.000 1.007 136 G HN 0.518 nan 8.290 nan 0.000 0.578 137 R N -0.244 120.404 120.500 0.248 0.000 2.334 137 R HA 0.111 4.451 4.340 -0.000 0.000 0.220 137 R C -0.040 176.376 176.300 0.193 0.000 0.917 137 R CA 0.284 56.483 56.100 0.166 0.000 1.073 137 R CB 0.356 30.586 30.300 -0.117 0.000 1.056 137 R HN 0.529 nan 8.270 nan 0.000 0.506 138 E N 1.508 121.910 120.200 0.336 0.000 2.191 138 E HA 0.140 4.489 4.350 -0.000 0.000 0.263 138 E C -1.116 175.423 176.600 -0.103 0.000 0.881 138 E CA -0.817 55.657 56.400 0.124 0.000 0.757 138 E CB 2.102 31.750 29.700 -0.087 0.000 1.147 138 E HN -0.201 nan 8.360 nan 0.000 0.414 139 K N 3.398 123.482 120.400 -0.527 0.000 2.416 139 K HA 0.075 4.395 4.320 -0.000 0.000 0.283 139 K C -1.411 174.833 176.600 -0.593 0.000 1.037 139 K CA 0.232 55.747 56.287 -1.287 0.000 0.995 139 K CB 0.091 32.119 32.500 -0.788 0.000 0.938 139 K HN 0.430 nan 8.250 nan 0.000 0.475 140 Y N 0.407 120.354 120.300 -0.588 0.000 2.588 140 Y HA 0.474 5.024 4.550 -0.000 0.000 0.343 140 Y C -0.544 175.271 175.900 -0.143 0.000 1.065 140 Y CA -1.129 56.804 58.100 -0.278 0.000 1.038 140 Y CB 1.589 39.934 38.460 -0.192 0.000 1.297 140 Y HN 0.498 nan 8.280 nan 0.000 0.467 141 D N 1.672 122.082 120.400 0.017 0.000 2.433 141 D HA 0.302 4.942 4.640 -0.000 0.000 0.211 141 D C -0.609 175.747 176.300 0.094 0.000 1.114 141 D CA 0.592 54.582 54.000 -0.016 0.000 0.837 141 D CB 1.146 41.932 40.800 -0.024 0.000 0.984 141 D HN 0.505 nan 8.370 nan 0.000 0.505 142 L N 0.888 122.251 121.223 0.233 0.000 2.549 142 L HA 0.295 4.634 4.340 -0.000 0.000 0.259 142 L C -2.683 174.312 176.870 0.208 0.000 0.934 142 L CA -1.815 53.147 54.840 0.202 0.000 0.865 142 L CB 3.017 45.135 42.059 0.098 0.000 1.352 142 L HN -0.353 nan 8.230 nan 0.000 0.410 143 P HA 0.137 nan 4.420 nan 0.000 0.263 143 P C -2.434 174.836 177.300 -0.051 0.000 1.195 143 P CA -0.614 62.443 63.100 -0.072 0.000 0.762 143 P CB -0.177 31.509 31.700 -0.024 0.000 0.799 144 P HA 0.025 nan 4.420 nan 0.000 0.271 144 P C 0.856 178.143 177.300 -0.022 0.000 1.218 144 P CA -0.179 62.955 63.100 0.058 0.000 0.780 144 P CB 0.528 32.300 31.700 0.120 0.000 0.901 145 V N 0.791 120.612 119.914 -0.156 0.000 2.720 145 V HA -0.166 3.954 4.120 -0.000 0.000 0.256 145 V C 1.316 177.199 176.094 -0.352 0.000 1.082 145 V CA 1.580 63.671 62.300 -0.348 0.000 1.101 145 V CB -1.405 30.076 31.823 -0.570 0.000 0.693 145 V HN 0.614 nan 8.190 nan 0.000 0.479 146 H N -0.331 118.719 119.070 -0.032 0.000 3.209 146 H HA 0.614 5.170 4.556 -0.000 0.000 0.225 146 H C 0.933 176.235 175.328 -0.044 0.000 1.599 146 H CA -0.074 55.959 56.048 -0.026 0.000 1.691 146 H CB 0.153 29.910 29.762 -0.009 0.000 1.473 146 H HN 0.267 nan 8.280 nan 0.000 0.981 147 G N 0.292 109.170 108.800 0.129 0.000 2.796 147 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 147 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 147 G C -0.402 174.495 174.900 -0.005 0.000 1.381 147 G CA -0.036 45.084 45.100 0.035 0.000 0.867 147 G HN 0.659 nan 8.290 nan 0.000 0.552 148 K N -0.018 120.366 120.400 -0.026 0.000 2.090 148 K HA 0.489 4.809 4.320 -0.000 0.000 0.250 148 K C 0.286 176.864 176.600 -0.035 0.000 1.004 148 K CA -0.472 55.799 56.287 -0.027 0.000 0.919 148 K CB 0.441 32.927 32.500 -0.023 0.000 1.045 148 K HN 0.462 nan 8.250 nan 0.000 0.471 149 K N 2.282 122.667 120.400 -0.025 0.000 2.185 149 K HA 0.381 4.701 4.320 -0.000 0.000 0.269 149 K C -0.899 175.693 176.600 -0.013 0.000 0.987 149 K CA -0.660 55.614 56.287 -0.022 0.000 0.865 149 K CB 1.124 33.613 32.500 -0.018 0.000 1.090 149 K HN 0.300 nan 8.250 nan 0.000 0.450 150 I N 3.688 124.254 120.570 -0.007 0.000 2.785 150 I HA 0.302 4.472 4.170 -0.000 0.000 0.302 150 I C -2.469 173.655 176.117 0.011 0.000 1.069 150 I CA -2.632 58.672 61.300 0.006 0.000 1.045 150 I CB 1.912 39.922 38.000 0.016 0.000 1.236 150 I HN 0.386 nan 8.210 nan 0.000 0.429 151 P HA 0.228 nan 4.420 nan 0.000 0.271 151 P C -1.192 176.122 177.300 0.024 0.000 1.220 151 P CA -0.230 62.880 63.100 0.017 0.000 0.768 151 P CB 0.274 31.986 31.700 0.021 0.000 0.848 152 c N 0.514 119.125 118.600 0.017 0.000 3.321 152 c HA 0.872 5.442 4.570 -0.000 0.000 0.329 152 c C -0.206 173.884 174.090 -0.001 0.000 1.394 152 c CA -0.610 55.730 56.329 0.018 0.000 1.291 152 c CB 1.387 43.913 42.510 0.027 0.000 1.606 152 c HN 0.620 nan 8.230 nan 0.000 0.463 153 T N -0.798 113.747 114.554 -0.016 0.000 2.940 153 T HA 0.837 5.187 4.350 -0.000 0.000 0.288 153 T C -0.653 173.988 174.700 -0.099 0.000 1.033 153 T CA -0.445 61.622 62.100 -0.054 0.000 1.033 153 T CB 1.531 70.363 68.868 -0.061 0.000 1.079 153 T HN 2.420 nan 8.240 nan 0.000 0.496 154 V N 0.994 120.818 119.914 -0.149 0.000 3.264 154 V HA 0.474 4.594 4.120 -0.000 0.000 0.294 154 V C -1.951 174.009 176.094 -0.223 0.000 1.429 154 V CA -1.288 60.899 62.300 -0.189 0.000 1.053 154 V CB 1.810 33.603 31.823 -0.050 0.000 1.128 154 V HN 1.001 nan 8.190 nan 0.000 0.452 155 Y N 2.199 122.505 120.300 0.010 0.000 2.346 155 Y HA 0.362 4.912 4.550 -0.000 0.000 0.330 155 Y C 0.901 176.805 175.900 0.006 0.000 1.178 155 Y CA 0.162 58.267 58.100 0.009 0.000 1.331 155 Y CB 0.501 38.950 38.460 -0.018 0.000 1.253 155 Y HN 0.665 nan 8.280 nan 0.000 0.529 156 D N 1.970 122.499 120.400 0.215 0.000 2.369 156 D HA 0.273 4.912 4.640 -0.000 0.000 0.241 156 D C -0.036 176.368 176.300 0.174 0.000 1.271 156 D CA 0.291 54.387 54.000 0.160 0.000 0.942 156 D CB 0.582 41.474 40.800 0.153 0.000 1.129 156 D HN 0.543 nan 8.370 nan 0.000 0.476 256 H N 3.931 122.980 119.070 -0.034 0.000 3.157 256 H HA 0.496 5.052 4.556 -0.000 0.000 0.260 256 H C -0.190 175.069 175.328 -0.114 0.000 1.232 256 H CA -0.006 55.993 56.048 -0.081 0.000 1.488 256 H CB 0.529 30.250 29.762 -0.067 0.000 1.548 256 H HN 0.290 nan 8.280 nan 0.000 0.487 257 L N 3.246 124.414 121.223 -0.090 0.000 3.515 257 L HA 0.207 4.547 4.340 -0.000 0.000 0.322 257 L C -1.957 174.583 176.870 -0.550 0.000 1.225 257 L CA -0.625 54.097 54.840 -0.197 0.000 1.104 257 L CB -0.208 41.822 42.059 -0.048 0.000 1.506 257 L HN 0.368 nan 8.230 nan 0.000 0.624 258 P HA 0.248 nan 4.420 nan 0.000 0.333 258 P C -0.515 176.355 177.300 -0.716 0.000 1.315 258 P CA -0.306 62.144 63.100 -1.083 0.000 0.746 258 P CB 0.411 31.556 31.700 -0.924 0.000 1.575 259 F N -0.267 119.467 119.950 -0.360 0.000 2.368 259 F HA 0.288 4.815 4.527 -0.000 0.000 0.362 259 F C 1.269 177.047 175.800 -0.038 0.000 1.137 259 F CA -0.408 57.507 58.000 -0.142 0.000 1.161 259 F CB 0.014 38.966 39.000 -0.081 0.000 1.265 259 F HN -0.135 nan 8.300 nan 0.000 0.530 260 K N 2.716 123.161 120.400 0.075 0.000 2.286 260 K HA 0.211 4.531 4.320 -0.000 0.000 0.256 260 K C -0.319 176.342 176.600 0.102 0.000 0.999 260 K CA -0.370 55.943 56.287 0.043 0.000 0.908 260 K CB 0.764 33.243 32.500 -0.035 0.000 0.981 260 K HN 0.570 nan 8.250 nan 0.000 0.500 261 L N 3.435 124.672 121.223 0.023 0.000 2.287 261 L HA 0.280 4.619 4.340 -0.000 0.000 0.280 261 L C -0.674 176.158 176.870 -0.063 0.000 1.055 261 L CA -0.729 54.063 54.840 -0.079 0.000 0.863 261 L CB 0.490 42.473 42.059 -0.127 0.000 1.245 261 L HN 0.488 nan 8.230 nan 0.000 0.432 262 I N 7.042 127.579 120.570 -0.054 0.000 2.428 262 I HA 0.524 4.694 4.170 -0.000 0.000 0.296 262 I C -2.180 173.912 176.117 -0.043 0.000 0.985 262 I CA -2.232 59.047 61.300 -0.035 0.000 1.260 262 I CB 1.570 39.560 38.000 -0.016 0.000 1.389 262 I HN 0.316 nan 8.210 nan 0.000 0.484 263 P HA 0.272 nan 4.420 nan 0.000 0.279 263 P C -1.270 176.022 177.300 -0.014 0.000 1.239 263 P CA -0.087 63.000 63.100 -0.021 0.000 0.789 263 P CB 1.182 32.875 31.700 -0.012 0.000 0.933 264 S N 1.130 116.824 115.700 -0.011 0.000 3.813 264 S HA 0.502 4.972 4.470 -0.000 0.000 0.309 264 S C -0.728 173.871 174.600 -0.002 0.000 1.136 264 S CA -0.441 57.755 58.200 -0.006 0.000 1.190 264 S CB 0.869 64.065 63.200 -0.007 0.000 1.582 264 S HN 0.490 nan 8.310 nan 0.000 0.647 265 T N 0.177 114.730 114.554 -0.002 0.000 2.824 265 T HA 0.701 5.051 4.350 -0.000 0.000 0.282 265 T C -0.676 174.023 174.700 -0.001 0.000 0.993 265 T CA -0.360 61.739 62.100 -0.002 0.000 0.967 265 T CB 0.214 69.078 68.868 -0.006 0.000 0.960 265 T HN 0.807 nan 8.240 nan 0.000 0.441 269 P HA 0.416 nan 4.420 nan 0.000 0.276 269 P C -1.348 175.919 177.300 -0.054 0.000 1.244 269 P CA -0.143 62.873 63.100 -0.139 0.000 0.801 269 P CB 1.237 32.815 31.700 -0.203 0.000 1.006 270 V N 1.035 120.963 119.914 0.024 0.000 2.513 270 V HA 0.672 4.792 4.120 -0.000 0.000 0.299 270 V C -0.117 176.096 176.094 0.198 0.000 1.035 270 V CA -0.829 61.542 62.300 0.118 0.000 0.889 270 V CB 1.124 33.011 31.823 0.107 0.000 0.988 270 V HN 0.749 nan 8.190 nan 0.000 0.440 271 A N 4.043 126.962 122.820 0.165 0.000 2.313 271 A HA 0.380 4.699 4.320 -0.000 0.000 0.261 271 A C -0.054 177.758 177.584 0.381 0.000 1.090 271 A CA -0.189 51.865 52.037 0.028 0.000 0.807 271 A CB -0.121 18.314 19.000 -0.942 0.000 1.055 271 A HN 1.244 nan 8.150 nan 0.000 0.492 272 H N 1.394 120.687 119.070 0.371 0.000 3.232 272 H HA 0.420 4.976 4.556 -0.000 0.000 0.254 272 H C 0.702 176.257 175.328 0.379 0.000 1.213 272 H CA 0.206 56.458 56.048 0.340 0.000 1.503 272 H CB -0.423 29.451 29.762 0.186 0.000 1.563 272 H HN 0.860 nan 8.280 nan 0.000 0.490 273 A N 6.136 128.997 122.820 0.068 0.000 2.602 273 A HA -0.048 4.272 4.320 -0.000 0.000 0.257 273 A C -2.082 175.252 177.584 -0.417 0.000 0.973 273 A CA -0.530 51.502 52.037 -0.009 0.000 0.862 273 A CB -0.549 18.470 19.000 0.031 0.000 0.855 273 A HN 0.719 nan 8.150 nan 0.000 0.492 274 P HA 0.055 nan 4.420 nan 0.000 0.267 274 P C -0.160 176.936 177.300 -0.340 0.000 1.209 274 P CA -0.178 62.551 63.100 -0.618 0.000 0.763 274 P CB 0.417 31.615 31.700 -0.836 0.000 0.816 275 N N 3.987 122.532 118.700 -0.259 0.000 2.400 275 N HA 0.058 4.798 4.740 -0.000 0.000 0.267 275 N C -0.805 174.583 175.510 -0.205 0.000 1.208 275 N CA 0.256 53.203 53.050 -0.171 0.000 0.951 275 N CB -0.136 38.288 38.487 -0.103 0.000 1.227 275 N HN -0.022 nan 8.380 nan 0.000 0.488 276 V N 4.516 124.313 119.914 -0.195 0.000 2.743 276 V HA 0.454 4.574 4.120 -0.000 0.000 0.301 276 V C 0.646 176.561 176.094 -0.298 0.000 1.057 276 V CA -0.628 61.506 62.300 -0.277 0.000 1.006 276 V CB 1.195 32.852 31.823 -0.276 0.000 1.024 276 V HN 0.518 nan 8.190 nan 0.000 0.473 277 I N 3.260 123.606 120.570 -0.373 0.000 2.497 277 I HA 0.351 4.521 4.170 -0.000 0.000 0.284 277 I C -0.410 175.526 176.117 -0.302 0.000 1.060 277 I CA -0.407 60.727 61.300 -0.275 0.000 1.071 277 I CB 1.187 39.083 38.000 -0.174 0.000 1.216 277 I HN 0.656 nan 8.210 nan 0.000 0.442 278 H N 4.444 123.507 119.070 -0.011 0.000 2.562 278 H HA 0.667 5.223 4.556 -0.000 0.000 0.352 278 H C 0.273 175.631 175.328 0.051 0.000 1.125 278 H CA -0.310 55.751 56.048 0.022 0.000 1.379 278 H CB 1.903 31.686 29.762 0.036 0.000 1.464 278 H HN 0.766 nan 8.280 nan 0.000 0.563 279 G N 0.756 109.686 108.800 0.217 0.000 2.846 279 G HA2 0.250 4.209 3.960 -0.000 0.000 0.299 279 G HA3 0.250 4.209 3.960 -0.000 0.000 0.299 279 G C -1.510 173.558 174.900 0.280 0.000 1.242 279 G CA -0.799 44.451 45.100 0.249 0.000 0.800 279 G HN 0.437 nan 8.290 nan 0.000 0.538 280 F N 2.474 122.517 119.950 0.156 0.000 2.490 280 F HA 0.331 4.857 4.527 -0.000 0.000 0.357 280 F C 1.243 177.080 175.800 0.062 0.000 1.166 280 F CA -0.138 57.915 58.000 0.089 0.000 1.116 280 F CB -0.257 38.767 39.000 0.040 0.000 1.171 280 F HN 0.491 nan 8.300 nan 0.000 0.576 281 K N 3.414 123.586 120.400 -0.381 0.000 3.156 281 K HA -0.285 4.035 4.320 -0.000 0.000 0.266 281 K C -1.014 175.580 176.600 -0.010 0.000 0.966 281 K CA 0.677 56.795 56.287 -0.281 0.000 0.719 281 K CB -1.861 30.338 32.500 -0.502 0.000 1.333 281 K HN 0.665 nan 8.250 nan 0.000 0.468 282 H N -0.155 118.909 119.070 -0.010 0.000 2.954 282 H HA 0.543 5.099 4.556 -0.000 0.000 0.361 282 H C -0.984 174.359 175.328 0.025 0.000 1.122 282 H CA -0.995 55.068 56.048 0.024 0.000 1.217 282 H CB 0.986 30.780 29.762 0.054 0.000 1.776 282 H HN 0.192 nan 8.280 nan 0.000 0.533 283 I N 3.156 123.745 120.570 0.032 0.000 2.540 283 I HA 0.183 4.353 4.170 -0.000 0.000 0.280 283 I C -0.085 175.865 176.117 -0.279 0.000 1.083 283 I CA -0.791 60.439 61.300 -0.116 0.000 1.080 283 I CB 1.510 39.509 38.000 -0.001 0.000 1.205 283 I HN 0.475 nan 8.210 nan 0.000 0.459 284 S N 6.544 122.007 115.700 -0.394 0.000 2.545 284 S HA 0.663 5.132 4.470 -0.000 0.000 0.275 284 S C -0.503 173.880 174.600 -0.363 0.000 1.299 284 S CA -0.548 57.410 58.200 -0.403 0.000 1.048 284 S CB 1.451 64.428 63.200 -0.371 0.000 0.938 284 S HN 0.574 nan 8.310 nan 0.000 0.496 285 L N 3.001 123.991 121.223 -0.389 0.000 2.387 285 L HA 0.306 4.646 4.340 -0.000 0.000 0.259 285 L C -0.006 176.642 176.870 -0.371 0.000 1.050 285 L CA -0.355 54.239 54.840 -0.409 0.000 0.922 285 L CB 0.986 42.761 42.059 -0.472 0.000 1.280 285 L HN 0.744 nan 8.230 nan 0.000 0.449 286 Q N 4.027 123.641 119.800 -0.309 0.000 2.262 286 Q HA 0.354 4.694 4.340 -0.000 0.000 0.272 286 Q C -0.944 174.889 176.000 -0.279 0.000 1.076 286 Q CA 0.270 55.927 55.803 -0.244 0.000 0.905 286 Q CB 0.808 29.441 28.738 -0.176 0.000 1.182 286 Q HN 0.488 nan 8.270 nan 0.000 0.390 287 L N 2.275 123.352 121.223 -0.243 0.000 2.354 287 L HA 0.513 4.853 4.340 -0.000 0.000 0.269 287 L C -0.548 176.283 176.870 -0.065 0.000 1.005 287 L CA -0.621 54.068 54.840 -0.252 0.000 0.819 287 L CB 1.875 43.773 42.059 -0.269 0.000 1.311 287 L HN 0.457 nan 8.230 nan 0.000 0.423 288 D N 0.619 121.047 120.400 0.046 0.000 2.527 288 D HA 0.230 4.870 4.640 -0.000 0.000 0.242 288 D C -1.219 175.115 176.300 0.056 0.000 1.285 288 D CA -0.184 53.835 54.000 0.032 0.000 0.886 288 D CB 1.254 42.033 40.800 -0.033 0.000 1.402 288 D HN 0.486 nan 8.370 nan 0.000 0.528 289 T N -0.991 113.587 114.554 0.040 0.000 2.779 289 T HA 0.202 4.552 4.350 -0.000 0.000 0.280 289 T C 1.109 175.691 174.700 -0.198 0.000 0.987 289 T CA -0.788 61.246 62.100 -0.110 0.000 0.966 289 T CB 2.272 71.005 68.868 -0.225 0.000 0.933 289 T HN -0.061 nan 8.240 nan 0.000 0.442 290 D N 1.622 121.887 120.400 -0.226 0.000 2.239 290 D HA -0.184 4.456 4.640 -0.000 0.000 0.202 290 D C 0.939 177.194 176.300 -0.075 0.000 0.993 290 D CA 1.669 55.601 54.000 -0.113 0.000 0.874 290 D CB 0.086 40.884 40.800 -0.005 0.000 0.922 290 D HN 0.902 nan 8.370 nan 0.000 0.464 291 H N -2.911 116.166 119.070 0.011 0.000 3.038 291 H HA 0.338 4.894 4.556 -0.000 0.000 0.289 291 H C -0.553 174.788 175.328 0.022 0.000 1.510 291 H CA -1.112 54.931 56.048 -0.007 0.000 1.227 291 H CB 0.093 29.834 29.762 -0.036 0.000 1.880 291 H HN -0.147 nan 8.280 nan 0.000 0.594 292 L N 2.615 124.001 121.223 0.272 0.000 2.295 292 L HA 0.187 4.527 4.340 -0.000 0.000 0.288 292 L C 0.196 177.353 176.870 0.478 0.000 1.079 292 L CA -0.137 54.888 54.840 0.308 0.000 0.830 292 L CB 0.771 42.950 42.059 0.198 0.000 1.200 292 L HN 0.740 nan 8.230 nan 0.000 0.438 293 T N 2.695 117.413 114.554 0.273 0.000 2.856 293 T HA 0.452 4.802 4.350 -0.000 0.000 0.283 293 T C -0.377 174.100 174.700 -0.371 0.000 1.008 293 T CA -0.775 61.275 62.100 -0.083 0.000 0.997 293 T CB 1.620 70.221 68.868 -0.446 0.000 0.992 293 T HN 0.368 nan 8.240 nan 0.000 0.454 294 L N 3.844 124.505 121.223 -0.936 0.000 2.326 294 L HA 0.534 4.874 4.340 -0.000 0.000 0.278 294 L C -0.570 175.993 176.870 -0.511 0.000 1.092 294 L CA -0.947 53.193 54.840 -1.167 0.000 0.810 294 L CB 1.033 42.194 42.059 -1.496 0.000 1.153 294 L HN 0.653 nan 8.230 nan 0.000 0.439 295 L N 4.740 125.816 121.223 -0.244 0.000 2.345 295 L HA 0.446 4.786 4.340 -0.000 0.000 0.274 295 L C -0.702 176.163 176.870 -0.008 0.000 0.999 295 L CA -0.259 54.614 54.840 0.056 0.000 0.849 295 L CB 1.674 43.905 42.059 0.286 0.000 1.220 295 L HN 0.617 nan 8.230 nan 0.000 0.422 296 T N 1.269 115.815 114.554 -0.013 0.000 2.929 296 T HA 0.731 5.081 4.350 -0.000 0.000 0.284 296 T C 0.058 174.717 174.700 -0.067 0.000 1.014 296 T CA -0.527 61.545 62.100 -0.048 0.000 1.051 296 T CB 1.867 70.702 68.868 -0.055 0.000 1.028 296 T HN 0.702 nan 8.240 nan 0.000 0.485 297 T N -0.911 113.556 114.554 -0.145 0.000 2.816 297 T HA 0.853 5.203 4.350 -0.000 0.000 0.299 297 T C -1.369 173.226 174.700 -0.174 0.000 1.230 297 T CA -1.319 60.646 62.100 -0.226 0.000 1.007 297 T CB 2.060 70.590 68.868 -0.564 0.000 1.289 297 T HN 1.064 nan 8.240 nan 0.000 0.508 298 R N -0.383 120.012 120.500 -0.175 0.000 2.728 298 R HA 0.525 4.865 4.340 -0.000 0.000 0.259 298 R C -1.316 174.900 176.300 -0.140 0.000 1.057 298 R CA -1.177 54.840 56.100 -0.139 0.000 0.908 298 R CB 1.032 31.267 30.300 -0.108 0.000 1.259 298 R HN 0.634 nan 8.270 nan 0.000 0.472 299 R N 1.716 122.138 120.500 -0.131 0.000 2.615 299 R HA 0.279 4.619 4.340 -0.000 0.000 0.270 299 R C 0.478 176.702 176.300 -0.126 0.000 1.081 299 R CA -0.491 55.535 56.100 -0.123 0.000 1.154 299 R CB 0.644 30.878 30.300 -0.112 0.000 1.063 299 R HN 0.614 nan 8.270 nan 0.000 0.519 300 L N 0.912 122.074 121.223 -0.102 0.000 2.607 300 L HA 0.168 4.508 4.340 -0.000 0.000 0.228 300 L C 1.387 178.229 176.870 -0.047 0.000 1.123 300 L CA -0.102 54.702 54.840 -0.059 0.000 0.890 300 L CB -0.148 41.898 42.059 -0.023 0.000 1.103 300 L HN 0.719 nan 8.230 nan 0.000 0.468 301 G N -0.392 108.345 108.800 -0.104 0.000 2.508 301 G HA2 0.353 4.312 3.960 -0.000 0.000 0.278 301 G HA3 0.353 4.312 3.960 -0.000 0.000 0.278 301 G C 1.065 175.693 174.900 -0.454 0.000 1.389 301 G CA 0.283 45.305 45.100 -0.129 0.000 1.050 301 G HN 0.113 nan 8.290 nan 0.000 0.522 302 A N -0.509 122.019 122.820 -0.487 0.000 1.873 302 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 302 A C 1.430 178.621 177.584 -0.654 0.000 1.186 302 A CA 1.261 52.729 52.037 -0.949 0.000 0.616 302 A CB -0.397 18.416 19.000 -0.312 0.000 0.823 302 A HN 0.464 nan 8.150 nan 0.000 0.442 303 N N -0.149 118.352 118.700 -0.332 0.000 2.485 303 N HA 0.358 5.098 4.740 -0.000 0.000 0.243 303 N C -2.274 173.126 175.510 -0.184 0.000 0.987 303 N CA -2.162 50.760 53.050 -0.215 0.000 0.940 303 N CB 1.571 39.985 38.487 -0.121 0.000 1.122 303 N HN 0.039 nan 8.380 nan 0.000 0.509 304 P HA 0.060 nan 4.420 nan 0.000 0.234 304 P C -0.850 176.388 177.300 -0.103 0.000 1.175 304 P CA 0.339 63.349 63.100 -0.150 0.000 0.801 304 P CB 0.137 31.743 31.700 -0.155 0.000 0.891 305 E N -0.364 119.788 120.200 -0.079 0.000 2.183 305 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 305 E C -1.853 174.716 176.600 -0.052 0.000 1.364 305 E CA -0.355 56.015 56.400 -0.050 0.000 0.700 305 E CB -1.918 27.761 29.700 -0.035 0.000 1.106 305 E HN 0.404 nan 8.360 nan 0.000 0.347 306 P HA -0.031 nan 4.420 nan 0.000 0.267 306 P C -0.468 176.807 177.300 -0.042 0.000 1.201 306 P CA 0.413 63.477 63.100 -0.060 0.000 0.775 306 P CB 0.752 32.426 31.700 -0.042 0.000 0.854 307 T N 0.313 114.833 114.554 -0.057 0.000 3.176 307 T HA 0.290 4.640 4.350 -0.000 0.000 0.337 307 T C -0.542 174.147 174.700 -0.019 0.000 0.957 307 T CA -0.559 61.527 62.100 -0.024 0.000 1.092 307 T CB 0.620 69.479 68.868 -0.015 0.000 1.018 307 T HN 0.357 nan 8.240 nan 0.000 0.473 308 T N 2.128 116.687 114.554 0.009 0.000 2.928 308 T HA 0.713 5.063 4.350 -0.000 0.000 0.284 308 T C -0.840 173.893 174.700 0.054 0.000 1.008 308 T CA -0.398 61.707 62.100 0.008 0.000 1.057 308 T CB 1.306 70.181 68.868 0.012 0.000 1.018 308 T HN 0.742 nan 8.240 nan 0.000 0.493 309 E N 2.660 122.882 120.200 0.036 0.000 2.388 309 E HA 0.290 4.640 4.350 -0.000 0.000 0.282 309 E C -2.019 174.612 176.600 0.052 0.000 1.026 309 E CA -0.829 55.639 56.400 0.113 0.000 0.820 309 E CB 0.998 30.773 29.700 0.125 0.000 1.226 309 E HN 0.667 nan 8.360 nan 0.000 0.432 310 W N 5.013 126.353 121.300 0.067 0.000 2.433 310 W HA 0.505 5.164 4.660 -0.000 0.000 0.315 310 W C 0.049 176.611 176.519 0.071 0.000 1.087 310 W CA -0.429 56.957 57.345 0.068 0.000 1.205 310 W CB 0.955 30.450 29.460 0.057 0.000 1.288 310 W HN 0.403 nan 8.180 nan 0.000 0.504 311 I N 1.318 122.045 120.570 0.262 0.000 2.797 311 I HA 0.898 5.068 4.170 -0.000 0.000 0.307 311 I C -0.748 175.474 176.117 0.176 0.000 1.033 311 I CA -1.343 60.076 61.300 0.200 0.000 1.071 311 I CB 1.693 39.808 38.000 0.191 0.000 1.255 311 I HN 0.083 nan 8.210 nan 0.000 0.445 312 V N 2.363 122.346 119.914 0.116 0.000 3.049 312 V HA 0.860 4.980 4.120 -0.000 0.000 0.309 312 V C 0.684 176.799 176.094 0.035 0.000 1.148 312 V CA 0.076 62.417 62.300 0.068 0.000 0.990 312 V CB 0.591 32.448 31.823 0.056 0.000 1.039 312 V HN 1.380 nan 8.190 nan 0.000 0.430 313 G N 2.616 111.419 108.800 0.005 0.000 2.556 313 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.283 313 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.283 313 G C -0.201 174.696 174.900 -0.006 0.000 1.177 313 G CA 0.789 45.884 45.100 -0.010 0.000 0.978 313 G HN 1.349 nan 8.290 nan 0.000 0.554 314 K N 0.929 121.319 120.400 -0.015 0.000 2.450 314 K HA 0.694 5.014 4.320 -0.000 0.000 0.257 314 K C 0.092 176.671 176.600 -0.035 0.000 0.953 314 K CA 0.671 56.940 56.287 -0.029 0.000 0.844 314 K CB 1.480 33.956 32.500 -0.039 0.000 1.103 314 K HN 1.396 nan 8.250 nan 0.000 0.429 315 T N -0.534 113.990 114.554 -0.050 0.000 2.681 315 T HA 0.665 5.015 4.350 -0.000 0.000 0.296 315 T C -1.106 173.526 174.700 -0.114 0.000 1.157 315 T CA -0.762 61.296 62.100 -0.069 0.000 1.025 315 T CB 1.018 69.854 68.868 -0.053 0.000 1.441 315 T HN 0.168 nan 8.240 nan 0.000 0.504 316 V N 0.254 120.087 119.914 -0.135 0.000 2.864 316 V HA 0.866 4.986 4.120 -0.000 0.000 0.314 316 V C -0.505 175.445 176.094 -0.240 0.000 1.073 316 V CA -1.008 61.176 62.300 -0.193 0.000 0.956 316 V CB 1.990 33.706 31.823 -0.178 0.000 1.023 316 V HN 0.988 nan 8.190 nan 0.000 0.435 317 R N 2.339 122.630 120.500 -0.349 0.000 2.713 317 R HA 0.410 4.750 4.340 -0.000 0.000 0.282 317 R C -0.819 174.995 176.300 -0.809 0.000 1.472 317 R CA -0.338 55.447 56.100 -0.524 0.000 1.060 317 R CB 0.500 30.520 30.300 -0.466 0.000 1.237 317 R HN 0.778 nan 8.270 nan 0.000 0.484 318 N N 2.104 120.404 118.700 -0.666 0.000 2.444 318 N HA 0.349 5.089 4.740 -0.000 0.000 0.255 318 N C -0.998 173.989 175.510 -0.871 0.000 1.255 318 N CA 0.493 53.183 53.050 -0.600 0.000 0.933 318 N CB 0.414 38.714 38.487 -0.312 0.000 1.143 318 N HN 0.204 nan 8.380 nan 0.000 0.453 319 F N -1.405 118.521 119.950 -0.041 0.000 2.608 319 F HA 0.263 4.790 4.527 -0.000 0.000 0.309 319 F C 0.646 176.487 175.800 0.068 0.000 1.103 319 F CA -1.064 56.935 58.000 -0.001 0.000 0.954 319 F CB 0.931 39.906 39.000 -0.041 0.000 1.267 319 F HN 0.325 nan 8.300 nan 0.000 0.444 320 T N -0.896 113.806 114.554 0.247 0.000 2.802 320 T HA 0.529 4.879 4.350 -0.000 0.000 0.305 320 T C -0.560 174.206 174.700 0.109 0.000 1.053 320 T CA -0.440 61.745 62.100 0.141 0.000 1.058 320 T CB 1.087 70.000 68.868 0.075 0.000 0.988 320 T HN 0.416 nan 8.240 nan 0.000 0.539 321 V N 3.246 123.186 119.914 0.043 0.000 2.398 321 V HA 0.221 4.341 4.120 -0.000 0.000 0.282 321 V C 0.350 176.427 176.094 -0.028 0.000 1.014 321 V CA -0.745 61.562 62.300 0.011 0.000 0.838 321 V CB 1.212 33.050 31.823 0.025 0.000 1.018 321 V HN 1.105 nan 8.190 nan 0.000 0.432 322 D N 4.526 124.913 120.400 -0.022 0.000 2.370 322 D HA -0.105 4.535 4.640 -0.000 0.000 0.256 322 D C 1.298 177.588 176.300 -0.017 0.000 1.197 322 D CA 0.356 54.341 54.000 -0.024 0.000 0.922 322 D CB -0.163 40.623 40.800 -0.024 0.000 0.911 322 D HN 0.717 nan 8.370 nan 0.000 0.517 323 R N -0.679 119.812 120.500 -0.016 0.000 3.621 323 R HA -0.238 4.102 4.340 -0.000 0.000 0.410 323 R C -0.307 176.030 176.300 0.062 0.000 0.541 323 R CA 1.863 57.968 56.100 0.008 0.000 1.518 323 R CB -1.920 28.380 30.300 0.000 0.000 2.022 323 R HN 0.213 nan 8.270 nan 0.000 0.356 324 D N 0.726 121.159 120.400 0.056 0.000 2.339 324 D HA 0.293 4.933 4.640 -0.000 0.000 0.217 324 D C 1.121 177.482 176.300 0.102 0.000 1.050 324 D CA 1.453 55.514 54.000 0.101 0.000 0.856 324 D CB 0.763 41.598 40.800 0.059 0.000 0.922 324 D HN 0.761 nan 8.370 nan 0.000 0.518 325 G N 0.695 109.510 108.800 0.025 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 -0.698 174.082 174.900 -0.200 0.000 1.331 325 G CA -0.202 44.792 45.100 -0.177 0.000 0.890 325 G HN 0.748 nan 8.290 nan 0.000 0.572 326 L N -3.983 117.057 121.223 -0.304 0.000 2.765 326 L HA 0.835 5.175 4.340 -0.000 0.000 0.254 326 L C -0.820 175.929 176.870 -0.202 0.000 0.939 326 L CA -0.507 54.213 54.840 -0.200 0.000 0.949 326 L CB 1.677 43.659 42.059 -0.129 0.000 1.521 326 L HN 1.069 nan 8.230 nan 0.000 0.434 327 E N 1.629 121.730 120.200 -0.166 0.000 2.266 327 E HA 0.568 4.917 4.350 -0.000 0.000 0.277 327 E C -1.807 174.742 176.600 -0.085 0.000 1.018 327 E CA -0.733 55.571 56.400 -0.159 0.000 0.840 327 E CB 1.196 30.818 29.700 -0.130 0.000 1.082 327 E HN 0.720 nan 8.360 nan 0.000 0.395 328 Y N 3.701 123.933 120.300 -0.114 0.000 2.354 328 Y HA 0.441 4.991 4.550 -0.000 0.000 0.330 328 Y C -1.103 174.789 175.900 -0.014 0.000 1.011 328 Y CA -1.426 56.613 58.100 -0.102 0.000 1.099 328 Y CB 0.631 39.018 38.460 -0.121 0.000 1.179 328 Y HN 0.197 nan 8.280 nan 0.000 0.442 329 I N 2.422 123.070 120.570 0.130 0.000 2.440 329 I HA 0.244 4.413 4.170 -0.000 0.000 0.294 329 I C -1.016 175.282 176.117 0.302 0.000 0.995 329 I CA -0.519 60.863 61.300 0.136 0.000 1.306 329 I CB 1.378 39.398 38.000 0.033 0.000 1.407 329 I HN 0.981 nan 8.210 nan 0.000 0.501 330 W N 5.847 127.202 121.300 0.090 0.000 2.387 330 W HA 0.571 5.231 4.660 -0.001 0.000 0.285 330 W C 0.377 176.831 176.519 -0.109 0.000 1.011 330 W CA -0.662 56.675 57.345 -0.012 0.000 1.576 330 W CB 0.806 30.267 29.460 0.003 0.000 1.540 330 W HN 0.907 nan 8.180 nan 0.000 0.383 331 G N 5.413 113.922 108.800 -0.485 0.000 2.546 331 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.285 331 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.285 331 G C 0.417 175.180 174.900 -0.229 0.000 1.105 331 G CA 0.055 44.817 45.100 -0.564 0.000 1.189 331 G HN 1.733 nan 8.290 nan 0.000 0.534 332 N N -1.244 117.400 118.700 -0.093 0.000 2.693 332 N HA -0.266 4.474 4.740 -0.000 0.000 0.250 332 N C 0.222 175.801 175.510 0.115 0.000 1.033 332 N CA 2.245 55.302 53.050 0.012 0.000 0.747 332 N CB -1.494 37.004 38.487 0.019 0.000 0.964 332 N HN 0.928 nan 8.380 nan 0.000 0.540 333 H N -0.012 119.040 119.070 -0.030 0.000 2.408 333 H HA 0.437 4.993 4.556 -0.000 0.000 0.352 333 H C 0.587 175.923 175.328 0.014 0.000 1.607 333 H CA -0.104 55.963 56.048 0.032 0.000 1.445 333 H CB 0.506 30.350 29.762 0.137 0.000 1.664 333 H HN 0.221 nan 8.280 nan 0.000 0.605 334 E N 0.851 121.103 120.200 0.086 0.000 2.283 334 E HA 0.220 4.569 4.350 -0.000 0.000 0.271 334 E C -2.140 174.468 176.600 0.014 0.000 1.031 334 E CA -1.959 54.456 56.400 0.025 0.000 0.868 334 E CB 0.473 30.162 29.700 -0.019 0.000 1.094 334 E HN 0.378 nan 8.360 nan 0.000 0.401 335 P HA 0.062 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 -0.188 62.857 63.100 -0.091 0.000 1.051 335 P CB 0.053 31.715 31.700 -0.064 0.000 1.951 336 V N 3.350 123.084 119.914 -0.301 0.000 2.928 336 V HA 0.094 4.214 4.120 -0.000 0.000 0.307 336 V C 0.332 176.142 176.094 -0.474 0.000 1.105 336 V CA 0.250 62.327 62.300 -0.372 0.000 1.223 336 V CB 0.111 31.677 31.823 -0.429 0.000 0.930 336 V HN 0.527 nan 8.190 nan 0.000 0.499 337 R N 4.467 124.798 120.500 -0.280 0.000 2.686 337 R HA 0.845 5.184 4.340 -0.000 0.000 0.283 337 R C -1.937 174.216 176.300 -0.246 0.000 0.978 337 R CA -0.936 54.993 56.100 -0.285 0.000 0.897 337 R CB 2.041 32.171 30.300 -0.284 0.000 1.192 337 R HN 0.473 nan 8.270 nan 0.000 0.457 338 V N 2.176 121.935 119.914 -0.258 0.000 2.769 338 V HA 0.526 4.646 4.120 -0.000 0.000 0.312 338 V C -0.955 174.959 176.094 -0.301 0.000 1.061 338 V CA -0.790 61.445 62.300 -0.109 0.000 0.931 338 V CB 1.411 33.324 31.823 0.151 0.000 1.010 338 V HN 0.695 nan 8.190 nan 0.000 0.433 339 Y N 0.714 121.036 120.300 0.036 0.000 2.730 339 Y HA 0.759 5.309 4.550 -0.000 0.000 0.325 339 Y C 0.550 176.450 175.900 -0.001 0.000 1.132 339 Y CA -0.950 57.154 58.100 0.007 0.000 1.206 339 Y CB 1.600 40.049 38.460 -0.019 0.000 1.390 339 Y HN 0.599 nan 8.280 nan 0.000 0.555 340 A N 0.672 123.591 122.820 0.166 0.000 3.150 340 A HA 0.257 4.577 4.320 -0.000 0.000 0.328 340 A C 0.358 177.952 177.584 0.016 0.000 1.104 340 A CA -0.594 51.470 52.037 0.045 0.000 0.937 340 A CB -0.550 18.439 19.000 -0.019 0.000 1.073 340 A HN 0.794 nan 8.150 nan 0.000 0.497 341 Q N 0.154 119.956 119.800 0.005 0.000 1.994 341 Q HA 0.033 4.372 4.340 -0.000 0.000 0.197 341 Q C 0.882 176.858 176.000 -0.041 0.000 0.981 341 Q CA 1.103 56.882 55.803 -0.039 0.000 0.838 341 Q CB -0.066 28.621 28.738 -0.086 0.000 0.904 341 Q HN 0.659 nan 8.270 nan 0.000 0.460 342 E N 0.238 120.402 120.200 -0.061 0.000 2.251 342 E HA 0.178 4.528 4.350 -0.000 0.000 0.194 342 E C 0.141 176.766 176.600 0.042 0.000 0.964 342 E CA 0.052 56.424 56.400 -0.047 0.000 0.868 342 E CB 0.917 30.548 29.700 -0.115 0.000 0.828 342 E HN 0.077 nan 8.360 nan 0.000 0.481 360 G N -1.596 107.233 108.800 0.049 0.000 2.494 360 G HA2 0.493 4.453 3.960 -0.000 0.000 0.308 360 G HA3 0.493 4.453 3.960 -0.000 0.000 0.308 360 G C -2.057 172.886 174.900 0.072 0.000 1.263 360 G CA -0.327 44.817 45.100 0.074 0.000 0.840 360 G HN 0.907 nan 8.290 nan 0.000 0.479 361 Y N 1.842 122.085 120.300 -0.096 0.000 2.327 361 Y HA 0.573 5.122 4.550 -0.000 0.000 0.336 361 Y C 0.159 176.063 175.900 0.006 0.000 1.035 361 Y CA -1.013 57.005 58.100 -0.137 0.000 1.165 361 Y CB 1.402 39.646 38.460 -0.360 0.000 1.181 361 Y HN 0.366 nan 8.280 nan 0.000 0.494 362 E N 5.917 125.851 120.200 -0.443 0.000 2.115 362 E HA 0.109 4.459 4.350 -0.000 0.000 0.282 362 E C -1.681 174.593 176.600 -0.543 0.000 0.987 362 E CA -0.437 55.748 56.400 -0.358 0.000 0.797 362 E CB 0.295 29.866 29.700 -0.214 0.000 1.086 362 E HN 0.816 nan 8.360 nan 0.000 0.397 363 H N 2.357 121.183 119.070 -0.407 0.000 2.489 363 H HA 0.592 5.148 4.556 -0.000 0.000 0.343 363 H C -1.456 173.781 175.328 -0.152 0.000 1.086 363 H CA -0.475 55.393 56.048 -0.300 0.000 1.198 363 H CB 1.570 31.248 29.762 -0.140 0.000 1.490 363 H HN 0.447 nan 8.280 nan 0.000 0.504 364 A N 4.651 127.096 122.820 -0.625 0.000 2.277 364 A HA 0.556 4.876 4.320 -0.000 0.000 0.318 364 A C -0.206 177.090 177.584 -0.480 0.000 1.339 364 A CA -0.106 51.675 52.037 -0.426 0.000 0.875 364 A CB -0.041 18.810 19.000 -0.248 0.000 1.158 364 A HN 0.842 nan 8.150 nan 0.000 0.514 365 T N -1.056 113.300 114.554 -0.330 0.000 2.807 365 T HA 0.845 5.194 4.350 -0.000 0.000 0.277 365 T C -0.124 174.487 174.700 -0.148 0.000 1.006 365 T CA -0.174 61.826 62.100 -0.166 0.000 1.006 365 T CB 1.612 70.484 68.868 0.007 0.000 1.274 365 T HN 1.088 nan 8.240 nan 0.000 0.569 366 T N -0.999 113.459 114.554 -0.159 0.000 2.985 366 T HA 0.557 4.907 4.350 -0.000 0.000 0.315 366 T C -0.762 173.692 174.700 -0.411 0.000 1.001 366 T CA -0.680 61.289 62.100 -0.218 0.000 1.016 366 T CB 0.451 69.232 68.868 -0.145 0.000 0.993 366 T HN 0.569 nan 8.240 nan 0.000 0.454 367 V N 6.479 126.125 119.914 -0.447 0.000 2.432 367 V HA 0.421 4.541 4.120 -0.000 0.000 0.275 367 V C -1.894 173.980 176.094 -0.368 0.000 1.043 367 V CA -2.044 59.894 62.300 -0.604 0.000 0.925 367 V CB 1.091 32.655 31.823 -0.430 0.000 0.985 367 V HN 0.757 nan 8.190 nan 0.000 0.466 368 P HA 0.000 nan 4.420 nan 0.000 0.264 368 P C -0.444 176.753 177.300 -0.172 0.000 1.193 368 P CA -0.128 62.856 63.100 -0.193 0.000 0.763 368 P CB 0.421 32.055 31.700 -0.111 0.000 0.810 369 N N 3.692 122.275 118.700 -0.195 0.000 2.466 369 N HA 0.173 4.913 4.740 -0.000 0.000 0.263 369 N C -1.291 174.146 175.510 -0.122 0.000 1.178 369 N CA -0.004 52.930 53.050 -0.194 0.000 0.983 369 N CB -0.600 37.692 38.487 -0.324 0.000 1.331 369 N HN 0.041 nan 8.380 nan 0.000 0.500 370 V N 4.884 124.758 119.914 -0.067 0.000 2.624 370 V HA 0.328 4.448 4.120 -0.000 0.000 0.294 370 V C -2.252 173.841 176.094 -0.000 0.000 1.077 370 V CA -1.538 60.751 62.300 -0.018 0.000 0.905 370 V CB 1.839 33.657 31.823 -0.008 0.000 1.025 370 V HN 0.465 nan 8.190 nan 0.000 0.440 371 P HA 0.039 nan 4.420 nan 0.000 0.264 371 P C 0.502 177.817 177.300 0.025 0.000 1.179 371 P CA 0.762 63.878 63.100 0.027 0.000 0.763 371 P CB 0.304 32.029 31.700 0.041 0.000 0.806 372 Q N -0.751 119.069 119.800 0.033 0.000 2.261 372 Q HA -0.191 4.149 4.340 -0.000 0.000 0.155 372 Q C 0.114 176.132 176.000 0.031 0.000 0.598 372 Q CA 1.262 57.085 55.803 0.032 0.000 1.376 372 Q CB -1.826 26.923 28.738 0.020 0.000 1.356 372 Q HN 0.420 nan 8.270 nan 0.000 0.947 373 I N 3.927 124.513 120.570 0.027 0.000 2.301 373 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 373 I C -1.623 174.537 176.117 0.070 0.000 1.046 373 I CA -2.472 58.849 61.300 0.035 0.000 1.282 373 I CB 0.296 38.306 38.000 0.017 0.000 1.409 373 I HN -0.096 nan 8.210 nan 0.000 0.484 374 P HA 0.054 nan 4.420 nan 0.000 0.271 374 P C -1.158 176.240 177.300 0.165 0.000 1.216 374 P CA -0.107 63.060 63.100 0.112 0.000 0.776 374 P CB 0.679 32.433 31.700 0.090 0.000 0.881 375 Y N 3.095 123.410 120.300 0.025 0.000 2.356 375 Y HA 0.272 4.822 4.550 -0.000 0.000 0.334 375 Y C -0.063 175.857 175.900 0.033 0.000 0.958 375 Y CA -0.842 57.276 58.100 0.029 0.000 1.196 375 Y CB 1.030 39.498 38.460 0.014 0.000 1.137 375 Y HN 0.106 nan 8.280 nan 0.000 0.485 376 K N 4.938 125.167 120.400 -0.286 0.000 2.201 376 K HA 0.768 5.087 4.320 -0.000 0.000 0.278 376 K C -0.761 175.541 176.600 -0.497 0.000 1.027 376 K CA -0.302 55.838 56.287 -0.245 0.000 0.909 376 K CB 1.382 33.878 32.500 -0.006 0.000 1.062 376 K HN 0.723 nan 8.250 nan 0.000 0.465 377 A N 3.161 125.625 122.820 -0.594 0.000 2.569 377 A HA 0.729 5.048 4.320 -0.000 0.000 0.290 377 A C -1.335 175.834 177.584 -0.693 0.000 1.136 377 A CA -0.789 50.857 52.037 -0.650 0.000 0.710 377 A CB 1.314 20.224 19.000 -0.151 0.000 1.303 377 A HN 0.559 nan 8.150 nan 0.000 0.413 378 L N 1.504 122.456 121.223 -0.453 0.000 2.325 378 L HA 0.408 4.748 4.340 -0.000 0.000 0.281 378 L C -0.840 175.979 176.870 -0.085 0.000 1.004 378 L CA -0.971 53.735 54.840 -0.225 0.000 0.823 378 L CB 1.813 43.842 42.059 -0.050 0.000 1.236 378 L HN 0.512 nan 8.230 nan 0.000 0.415 379 V N 3.114 122.954 119.914 -0.124 0.000 2.415 379 V HA 0.119 4.239 4.120 -0.000 0.000 0.267 379 V C 0.274 176.394 176.094 0.044 0.000 1.042 379 V CA -0.510 61.728 62.300 -0.103 0.000 1.000 379 V CB 0.372 32.166 31.823 -0.050 0.000 1.015 379 V HN 0.613 nan 8.190 nan 0.000 0.478 380 E N 5.662 125.921 120.200 0.097 0.000 2.055 380 E HA 0.446 4.796 4.350 -0.000 0.000 0.274 380 E C -0.365 176.261 176.600 0.044 0.000 0.949 380 E CA -0.373 56.083 56.400 0.092 0.000 0.775 380 E CB 2.009 31.780 29.700 0.117 0.000 1.097 380 E HN 0.525 nan 8.360 nan 0.000 0.404 381 R N 1.198 121.681 120.500 -0.030 0.000 2.621 381 R HA 0.505 4.845 4.340 -0.000 0.000 0.292 381 R C -0.659 175.648 176.300 0.013 0.000 0.969 381 R CA -0.724 55.291 56.100 -0.141 0.000 0.887 381 R CB 1.901 31.896 30.300 -0.508 0.000 1.180 381 R HN 0.555 nan 8.270 nan 0.000 0.450 382 A N 1.603 124.430 122.820 0.012 0.000 2.567 382 A HA 0.319 4.639 4.320 -0.000 0.000 0.240 382 A C 1.294 178.911 177.584 0.054 0.000 1.053 382 A CA 1.233 53.290 52.037 0.033 0.000 0.755 382 A CB -0.385 18.626 19.000 0.018 0.000 0.978 382 A HN 1.079 nan 8.150 nan 0.000 0.507 383 G N 1.256 110.052 108.800 -0.006 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 0.285 175.098 174.900 -0.146 0.000 1.039 383 G CA 1.014 46.056 45.100 -0.098 0.000 0.625 383 G HN 0.860 nan 8.290 nan 0.000 0.526 384 Y N 1.298 121.564 120.300 -0.057 0.000 2.300 384 Y HA 0.576 5.126 4.550 -0.000 0.000 0.328 384 Y C 0.923 176.823 175.900 -0.000 0.000 1.270 384 Y CA -0.049 58.033 58.100 -0.029 0.000 1.352 384 Y CB 1.161 39.587 38.460 -0.057 0.000 1.286 384 Y HN 0.445 nan 8.280 nan 0.000 0.536 385 A N 4.373 127.312 122.820 0.198 0.000 2.276 385 A HA 0.424 4.744 4.320 -0.000 0.000 0.300 385 A C -2.364 175.292 177.584 0.120 0.000 1.235 385 A CA -1.777 50.328 52.037 0.115 0.000 0.867 385 A CB -0.582 18.462 19.000 0.074 0.000 1.137 385 A HN 0.497 nan 8.150 nan 0.000 0.527 386 P HA -0.094 nan 4.420 nan 0.000 0.266 386 P C -0.616 176.702 177.300 0.029 0.000 1.162 386 P CA 0.551 63.689 63.100 0.064 0.000 0.758 386 P CB 0.440 32.174 31.700 0.056 0.000 0.774 387 L N 2.692 123.916 121.223 0.002 0.000 2.322 387 L HA 0.298 4.637 4.340 -0.000 0.000 0.281 387 L C 0.636 177.450 176.870 -0.095 0.000 1.014 387 L CA -1.046 53.758 54.840 -0.060 0.000 0.815 387 L CB 1.355 43.357 42.059 -0.095 0.000 1.247 387 L HN 0.285 nan 8.230 nan 0.000 0.421 388 N N 4.120 122.763 118.700 -0.095 0.000 2.386 388 N HA 0.063 4.803 4.740 -0.000 0.000 0.273 388 N C -1.165 174.303 175.510 -0.070 0.000 1.331 388 N CA 0.309 53.306 53.050 -0.090 0.000 0.891 388 N CB 0.158 38.598 38.487 -0.078 0.000 1.139 388 N HN 0.368 nan 8.380 nan 0.000 0.487 389 L N 3.479 124.643 121.223 -0.099 0.000 2.446 389 L HA 0.404 4.744 4.340 -0.000 0.000 0.268 389 L C -1.063 175.776 176.870 -0.052 0.000 0.975 389 L CA -0.473 54.332 54.840 -0.060 0.000 0.848 389 L CB 1.242 43.253 42.059 -0.081 0.000 1.225 389 L HN 0.678 nan 8.230 nan 0.000 0.410 390 E N 5.215 125.420 120.200 0.007 0.000 2.246 390 E HA 0.660 5.009 4.350 -0.000 0.000 0.266 390 E C -1.483 175.161 176.600 0.073 0.000 0.880 390 E CA -0.698 55.723 56.400 0.035 0.000 0.762 390 E CB 1.946 31.662 29.700 0.026 0.000 1.180 390 E HN 0.522 nan 8.360 nan 0.000 0.416 391 I N 2.993 123.634 120.570 0.117 0.000 2.406 391 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 391 I C -0.444 175.728 176.117 0.091 0.000 0.999 391 I CA -0.845 60.508 61.300 0.088 0.000 1.124 391 I CB 2.173 40.222 38.000 0.082 0.000 1.289 391 I HN 0.644 nan 8.210 nan 0.000 0.441 392 T N 3.621 118.215 114.554 0.068 0.000 2.809 392 T HA 0.481 4.831 4.350 -0.000 0.000 0.296 392 T C -0.216 174.514 174.700 0.050 0.000 1.015 392 T CA -0.661 61.482 62.100 0.071 0.000 0.954 392 T CB 1.391 70.314 68.868 0.091 0.000 0.950 392 T HN 0.340 nan 8.240 nan 0.000 0.450 396 S N 2.916 118.633 115.700 0.027 0.000 2.566 396 S HA 0.862 5.331 4.470 -0.000 0.000 0.298 396 S C -1.073 173.545 174.600 0.030 0.000 1.083 396 S CA -0.770 57.435 58.200 0.009 0.000 0.978 396 S CB 1.881 65.084 63.200 0.005 0.000 1.073 396 S HN 0.764 nan 8.310 nan 0.000 0.491 397 E N 0.631 120.838 120.200 0.012 0.000 2.314 397 E HA 0.518 4.868 4.350 -0.000 0.000 0.272 397 E C -1.581 175.050 176.600 0.052 0.000 0.884 397 E CA -0.972 55.449 56.400 0.035 0.000 0.753 397 E CB 2.471 32.172 29.700 0.003 0.000 1.213 397 E HN 0.487 nan 8.360 nan 0.000 0.432 398 V N 3.624 123.601 119.914 0.106 0.000 2.305 398 V HA 0.252 4.372 4.120 -0.000 0.000 0.275 398 V C -0.930 175.230 176.094 0.111 0.000 1.020 398 V CA -0.651 61.727 62.300 0.130 0.000 0.811 398 V CB 0.420 32.366 31.823 0.204 0.000 1.031 398 V HN 0.431 nan 8.190 nan 0.000 0.439 399 L N 8.236 129.495 121.223 0.059 0.000 2.272 399 L HA 0.555 4.894 4.340 -0.000 0.000 0.284 399 L C -2.185 174.688 176.870 0.004 0.000 1.045 399 L CA -1.321 53.534 54.840 0.025 0.000 0.842 399 L CB 1.047 43.127 42.059 0.034 0.000 1.224 399 L HN 0.374 nan 8.230 nan 0.000 0.430 400 P HA 0.323 nan 4.420 nan 0.000 0.285 400 P C -0.799 176.454 177.300 -0.079 0.000 1.269 400 P CA -0.769 62.283 63.100 -0.081 0.000 0.844 400 P CB 1.597 33.196 31.700 -0.168 0.000 1.094 401 S N 0.043 115.721 115.700 -0.038 0.000 2.505 401 S HA 0.359 4.828 4.470 -0.000 0.000 0.276 401 S C 0.392 174.978 174.600 -0.024 0.000 1.274 401 S CA -0.349 57.843 58.200 -0.012 0.000 1.053 401 S CB -0.539 62.678 63.200 0.030 0.000 0.919 401 S HN 0.626 nan 8.310 nan 0.000 0.490 402 T N 0.733 115.266 114.554 -0.036 0.000 2.791 402 T HA 0.437 4.787 4.350 -0.000 0.000 0.288 402 T C -0.862 173.822 174.700 -0.027 0.000 0.999 402 T CA -0.943 61.128 62.100 -0.048 0.000 0.952 402 T CB 0.051 68.872 68.868 -0.079 0.000 0.938 402 T HN 0.505 nan 8.240 nan 0.000 0.444 403 N N 4.094 122.785 118.700 -0.016 0.000 2.645 403 N HA 0.182 4.922 4.740 -0.000 0.000 0.233 403 N C -0.145 175.346 175.510 -0.032 0.000 1.058 403 N CA -0.365 52.677 53.050 -0.013 0.000 0.942 403 N CB 1.017 39.510 38.487 0.010 0.000 1.210 403 N HN 0.656 nan 8.380 nan 0.000 0.512 404 Q N 1.020 120.786 119.800 -0.056 0.000 2.286 404 Q HA -0.073 4.266 4.340 -0.000 0.000 0.290 404 Q C 0.299 176.242 176.000 -0.094 0.000 1.049 404 Q CA 0.712 56.457 55.803 -0.097 0.000 0.923 404 Q CB 0.827 29.509 28.738 -0.093 0.000 1.183 404 Q HN 0.554 nan 8.270 nan 0.000 0.383 405 E N 3.190 123.292 120.200 -0.162 0.000 2.075 405 E HA 0.038 4.388 4.350 -0.000 0.000 0.193 405 E C -0.664 175.933 176.600 -0.005 0.000 0.950 405 E CA 0.895 57.252 56.400 -0.072 0.000 0.859 405 E CB 0.312 29.977 29.700 -0.059 0.000 0.846 405 E HN 0.607 nan 8.360 nan 0.000 0.467 406 Y N -2.213 118.038 120.300 -0.081 0.000 2.689 406 Y HA 0.571 5.121 4.550 -0.000 0.000 0.333 406 Y C -0.607 175.221 175.900 -0.119 0.000 1.190 406 Y CA -1.614 56.452 58.100 -0.057 0.000 1.063 406 Y CB 0.496 39.011 38.460 0.091 0.000 1.294 406 Y HN -0.244 nan 8.280 nan 0.000 0.466 407 I N 0.978 121.602 120.570 0.090 0.000 2.783 407 I HA 0.681 4.850 4.170 -0.000 0.000 0.312 407 I C 0.131 176.257 176.117 0.015 0.000 0.988 407 I CA -0.406 60.866 61.300 -0.048 0.000 1.182 407 I CB 1.636 39.542 38.000 -0.157 0.000 1.368 407 I HN 0.863 nan 8.210 nan 0.000 0.511 408 T N 3.318 117.771 114.554 -0.168 0.000 2.885 408 T HA 0.741 5.091 4.350 -0.000 0.000 0.322 408 T C -1.075 173.274 174.700 -0.585 0.000 1.387 408 T CA -0.285 61.633 62.100 -0.303 0.000 1.041 408 T CB 0.645 69.263 68.868 -0.417 0.000 1.287 408 T HN 0.918 nan 8.240 nan 0.000 0.491 409 c N 1.213 119.505 118.600 -0.513 0.000 3.260 409 c HA 0.643 5.213 4.570 -0.000 0.000 0.366 409 c C -1.084 172.963 174.090 -0.071 0.000 1.537 409 c CA -1.482 54.476 56.329 -0.618 0.000 1.160 409 c CB 0.411 42.754 42.510 -0.278 0.000 1.760 409 c HN 1.001 nan 8.230 nan 0.000 0.432 410 K N 1.366 121.864 120.400 0.162 0.000 2.402 410 K HA 0.421 4.740 4.320 -0.000 0.000 0.285 410 K C -0.223 176.387 176.600 0.017 0.000 1.054 410 K CA 0.315 56.654 56.287 0.085 0.000 1.001 410 K CB 0.018 32.590 32.500 0.121 0.000 0.946 410 K HN 0.516 nan 8.250 nan 0.000 0.473 411 F N -0.173 119.839 119.950 0.103 0.000 2.375 411 F HA 0.406 4.932 4.527 -0.000 0.000 0.313 411 F C 0.237 176.091 175.800 0.090 0.000 1.176 411 F CA -0.745 57.301 58.000 0.076 0.000 1.142 411 F CB 0.478 39.505 39.000 0.044 0.000 1.275 411 F HN 0.142 nan 8.300 nan 0.000 0.544 412 T N 0.127 114.922 114.554 0.402 0.000 2.841 412 T HA 0.472 4.821 4.350 -0.000 0.000 0.283 412 T C -0.801 174.074 174.700 0.290 0.000 1.000 412 T CA -0.729 61.543 62.100 0.287 0.000 0.977 412 T CB 1.385 70.371 68.868 0.197 0.000 0.979 412 T HN 0.830 nan 8.240 nan 0.000 0.446 413 T N 0.939 115.622 114.554 0.215 0.000 2.744 413 T HA 0.586 4.936 4.350 -0.000 0.000 0.291 413 T C 0.029 174.631 174.700 -0.164 0.000 0.957 413 T CA -0.748 61.357 62.100 0.008 0.000 1.002 413 T CB 0.609 69.502 68.868 0.041 0.000 0.919 413 T HN 0.297 nan 8.240 nan 0.000 0.468 414 V N 3.605 123.255 119.914 -0.440 0.000 2.439 414 V HA 0.449 4.569 4.120 -0.000 0.000 0.282 414 V C -0.037 175.761 176.094 -0.493 0.000 1.039 414 V CA -0.794 61.188 62.300 -0.530 0.000 0.913 414 V CB 1.530 32.803 31.823 -0.917 0.000 0.983 414 V HN 0.825 nan 8.190 nan 0.000 0.460 415 V N 6.262 126.023 119.914 -0.255 0.000 2.327 415 V HA 0.338 4.458 4.120 -0.000 0.000 0.272 415 V C -2.279 173.779 176.094 -0.059 0.000 1.019 415 V CA -1.366 60.829 62.300 -0.176 0.000 0.814 415 V CB 1.089 32.818 31.823 -0.157 0.000 1.040 415 V HN 0.820 nan 8.190 nan 0.000 0.440 416 P HA 0.284 nan 4.420 nan 0.000 0.275 416 P C 0.243 177.573 177.300 0.050 0.000 1.227 416 P CA -0.041 63.095 63.100 0.060 0.000 0.781 416 P CB 0.623 32.407 31.700 0.138 0.000 0.906 417 S N 4.104 119.833 115.700 0.047 0.000 2.593 417 S HA 0.054 4.524 4.470 -0.000 0.000 0.300 417 S C -1.808 172.832 174.600 0.066 0.000 1.267 417 S CA -0.434 57.797 58.200 0.052 0.000 1.065 417 S CB -0.742 62.488 63.200 0.050 0.000 0.807 417 S HN 0.422 nan 8.310 nan 0.000 0.499 418 P HA 0.128 nan 4.420 nan 0.000 0.268 418 P C -0.820 176.536 177.300 0.094 0.000 1.204 418 P CA -0.365 62.790 63.100 0.091 0.000 0.768 418 P CB 0.455 32.223 31.700 0.113 0.000 0.842 419 K N 3.812 124.266 120.400 0.090 0.000 2.310 419 K HA 0.271 4.591 4.320 -0.000 0.000 0.290 419 K C 0.337 176.994 176.600 0.095 0.000 1.077 419 K CA -0.446 55.890 56.287 0.083 0.000 0.922 419 K CB -0.114 32.428 32.500 0.071 0.000 1.057 419 K HN 0.478 nan 8.250 nan 0.000 0.479 420 I N -0.679 119.955 120.570 0.106 0.000 2.404 420 I HA 0.401 4.571 4.170 -0.000 0.000 0.293 420 I C -0.176 176.004 176.117 0.106 0.000 0.992 420 I CA -0.550 60.826 61.300 0.127 0.000 1.149 420 I CB 1.597 39.711 38.000 0.191 0.000 1.315 420 I HN 0.273 nan 8.210 nan 0.000 0.446 421 K N 6.196 126.655 120.400 0.098 0.000 2.316 421 K HA 0.398 4.717 4.320 -0.000 0.000 0.267 421 K C -1.064 175.594 176.600 0.097 0.000 1.025 421 K CA -0.572 55.765 56.287 0.084 0.000 0.896 421 K CB 1.174 33.713 32.500 0.064 0.000 1.124 421 K HN 0.961 nan 8.250 nan 0.000 0.451 422 c N 5.911 124.574 118.600 0.105 0.000 2.667 422 c HA 0.139 4.709 4.570 -0.000 0.000 0.385 422 c C 0.411 174.566 174.090 0.108 0.000 1.299 422 c CA 0.108 56.511 56.329 0.123 0.000 1.554 422 c CB -2.288 40.305 42.510 0.139 0.000 2.275 422 c HN 1.025 nan 8.230 nan 0.000 0.588 423 c N 4.435 123.095 118.600 0.101 0.000 4.689 423 c HA 0.097 4.667 4.570 -0.000 0.000 0.305 423 c C 0.686 174.813 174.090 0.062 0.000 1.194 423 c CA 0.446 56.825 56.329 0.084 0.000 2.314 423 c CB -2.592 39.979 42.510 0.101 0.000 1.188 423 c HN 1.411 nan 8.230 nan 0.000 0.746 424 G N -0.166 108.667 108.800 0.055 0.000 2.600 424 G HA2 0.803 4.762 3.960 -0.000 0.000 0.293 424 G HA3 0.803 4.762 3.960 -0.000 0.000 0.293 424 G C -0.691 174.230 174.900 0.035 0.000 1.408 424 G CA 0.336 45.461 45.100 0.042 0.000 0.782 424 G HN 1.155 nan 8.290 nan 0.000 0.482 425 S N -0.679 115.037 115.700 0.026 0.000 2.508 425 S HA 0.702 5.172 4.470 -0.000 0.000 0.284 425 S C -0.345 174.265 174.600 0.017 0.000 1.192 425 S CA -0.683 57.528 58.200 0.018 0.000 1.070 425 S CB 1.631 64.838 63.200 0.010 0.000 1.004 425 S HN 0.533 nan 8.310 nan 0.000 0.493 426 L N 2.264 123.494 121.223 0.012 0.000 2.502 426 L HA 0.332 4.672 4.340 -0.000 0.000 0.247 426 L C -0.117 176.751 176.870 -0.003 0.000 1.180 426 L CA -0.126 54.721 54.840 0.012 0.000 0.956 426 L CB 0.686 42.759 42.059 0.023 0.000 1.282 426 L HN 0.799 nan 8.230 nan 0.000 0.470 427 E N 1.627 121.824 120.200 -0.005 0.000 2.081 427 E HA 0.015 4.365 4.350 -0.000 0.000 0.270 427 E C 0.162 176.758 176.600 -0.006 0.000 1.180 427 E CA -0.236 56.155 56.400 -0.014 0.000 0.926 427 E CB 0.850 30.542 29.700 -0.012 0.000 1.035 427 E HN 0.510 nan 8.360 nan 0.000 0.418 428 c N 3.853 122.446 118.600 -0.011 0.000 2.679 428 c HA 0.071 4.641 4.570 -0.000 0.000 0.417 428 c C 0.273 174.380 174.090 0.028 0.000 1.302 428 c CA -0.222 56.117 56.329 0.017 0.000 1.973 428 c CB 0.210 42.727 42.510 0.012 0.000 2.715 428 c HN 0.760 nan 8.230 nan 0.000 0.628 429 Q N 3.986 123.817 119.800 0.051 0.000 2.353 429 Q HA 0.449 4.789 4.340 -0.000 0.000 0.268 429 Q C -2.437 173.601 176.000 0.062 0.000 1.045 429 Q CA -1.552 54.272 55.803 0.035 0.000 0.811 429 Q CB 1.613 30.355 28.738 0.006 0.000 1.305 429 Q HN 0.654 nan 8.270 nan 0.000 0.447 430 P HA -0.005 nan 4.420 nan 0.000 0.252 430 P C -1.388 175.878 177.300 -0.057 0.000 1.183 430 P CA 0.351 63.484 63.100 0.055 0.000 0.973 430 P CB 0.016 31.730 31.700 0.023 0.000 0.990 431 A N 3.977 126.657 122.820 -0.232 0.000 2.798 431 A HA 0.512 4.832 4.320 -0.000 0.000 0.316 431 A C 0.894 178.231 177.584 -0.412 0.000 1.506 431 A CA -0.504 51.266 52.037 -0.445 0.000 1.162 431 A CB -0.455 18.118 19.000 -0.712 0.000 1.138 431 A HN 0.538 nan 8.150 nan 0.000 0.532 432 A N 4.110 126.824 122.820 -0.178 0.000 2.532 432 A HA 0.441 4.761 4.320 -0.000 0.000 0.269 432 A C 0.550 178.113 177.584 -0.035 0.000 1.079 432 A CA 1.015 52.998 52.037 -0.090 0.000 0.800 432 A CB -0.718 18.249 19.000 -0.056 0.000 1.000 432 A HN 1.391 nan 8.150 nan 0.000 0.522 433 H N -0.243 118.727 119.070 -0.168 0.000 2.876 433 H HA 0.541 5.096 4.556 -0.000 0.000 0.284 433 H C 0.558 175.847 175.328 -0.065 0.000 1.445 433 H CA -0.146 55.812 56.048 -0.150 0.000 1.141 433 H CB 0.232 29.841 29.762 -0.254 0.000 1.816 433 H HN 1.331 nan 8.280 nan 0.000 0.511 434 A N 0.420 123.087 122.820 -0.254 0.000 2.810 434 A HA -0.259 4.060 4.320 -0.000 0.000 0.463 434 A C 1.458 178.936 177.584 -0.178 0.000 0.923 434 A CA 2.762 54.697 52.037 -0.170 0.000 1.655 434 A CB -1.847 17.125 19.000 -0.046 0.000 0.827 434 A HN 1.526 nan 8.150 nan 0.000 0.539 435 G N -2.526 106.180 108.800 -0.157 0.000 4.477 435 G HA2 0.463 4.423 3.960 -0.000 0.000 0.319 435 G HA3 0.463 4.423 3.960 -0.000 0.000 0.319 435 G C -0.309 174.525 174.900 -0.111 0.000 1.391 435 G CA 0.175 45.188 45.100 -0.144 0.000 1.261 435 G HN 0.643 nan 8.290 nan 0.000 0.556 436 Y N 2.603 122.748 120.300 -0.257 0.000 2.411 436 Y HA 0.472 5.022 4.550 -0.000 0.000 0.333 436 Y C 0.478 176.313 175.900 -0.109 0.000 1.186 436 Y CA 0.018 58.001 58.100 -0.194 0.000 1.381 436 Y CB 1.118 39.443 38.460 -0.225 0.000 1.273 436 Y HN 0.301 nan 8.280 nan 0.000 0.546 437 T N 3.785 117.861 114.554 -0.798 0.000 3.041 437 T HA 0.524 4.874 4.350 -0.000 0.000 0.321 437 T C -0.916 173.329 174.700 -0.758 0.000 1.184 437 T CA -0.943 60.782 62.100 -0.626 0.000 1.050 437 T CB 0.028 68.712 68.868 -0.308 0.000 1.159 437 T HN 0.916 nan 8.240 nan 0.000 0.469 438 c N 1.244 119.541 118.600 -0.505 0.000 2.913 438 c HA 0.960 5.529 4.570 -0.000 0.000 0.322 438 c C -1.238 172.716 174.090 -0.228 0.000 1.292 438 c CA -0.653 55.486 56.329 -0.317 0.000 1.649 438 c CB 1.417 43.831 42.510 -0.161 0.000 2.139 438 c HN 1.207 nan 8.230 nan 0.000 0.475 439 K N 1.493 121.742 120.400 -0.250 0.000 2.542 439 K HA 0.582 4.902 4.320 -0.000 0.000 0.259 439 K C -1.694 174.554 176.600 -0.587 0.000 0.932 439 K CA -0.452 55.568 56.287 -0.446 0.000 0.820 439 K CB 2.517 34.655 32.500 -0.603 0.000 1.345 439 K HN 0.720 nan 8.250 nan 0.000 0.432 440 V N 4.036 123.626 119.914 -0.540 0.000 2.385 440 V HA 0.411 4.531 4.120 -0.000 0.000 0.269 440 V C -0.667 175.123 176.094 -0.507 0.000 1.043 440 V CA -0.468 61.603 62.300 -0.382 0.000 0.906 440 V CB 0.028 31.738 31.823 -0.189 0.000 0.995 440 V HN 0.476 nan 8.190 nan 0.000 0.467 441 F N 2.851 122.782 119.950 -0.032 0.000 2.426 441 F HA 0.746 5.273 4.527 -0.000 0.000 0.348 441 F C 0.854 176.621 175.800 -0.056 0.000 1.124 441 F CA -0.623 57.348 58.000 -0.049 0.000 1.008 441 F CB 1.831 40.790 39.000 -0.068 0.000 1.139 441 F HN 0.579 nan 8.300 nan 0.000 0.452 442 G N 0.405 109.286 108.800 0.135 0.000 2.434 442 G HA2 0.471 4.430 3.960 -0.000 0.000 0.330 442 G HA3 0.471 4.430 3.960 -0.000 0.000 0.330 442 G C 0.413 175.328 174.900 0.025 0.000 1.155 442 G CA -0.494 44.639 45.100 0.055 0.000 0.917 442 G HN 1.166 nan 8.290 nan 0.000 0.493 443 G N -0.518 108.284 108.800 0.004 0.000 2.350 443 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.298 443 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.298 443 G C 0.827 175.689 174.900 -0.064 0.000 1.037 443 G CA 0.347 45.438 45.100 -0.015 0.000 1.074 443 G HN 0.906 nan 8.290 nan 0.000 0.511 444 V N -0.730 119.117 119.914 -0.112 0.000 2.261 444 V HA 0.147 4.266 4.120 -0.000 0.000 0.235 444 V C 1.322 177.210 176.094 -0.343 0.000 1.044 444 V CA 1.413 63.516 62.300 -0.327 0.000 1.007 444 V CB -0.599 30.918 31.823 -0.509 0.000 0.647 444 V HN 0.416 nan 8.190 nan 0.000 0.462 445 Y N -0.029 120.277 120.300 0.010 0.000 2.457 445 Y HA 0.506 5.056 4.550 -0.000 0.000 0.333 445 Y C -1.908 174.001 175.900 0.014 0.000 1.119 445 Y CA -2.889 55.209 58.100 -0.004 0.000 1.143 445 Y CB 0.319 38.770 38.460 -0.014 0.000 1.230 445 Y HN 0.117 nan 8.280 nan 0.000 0.469 446 P HA 0.053 nan 4.420 nan 0.000 0.331 446 P C -0.703 176.714 177.300 0.196 0.000 1.426 446 P CA 0.239 63.419 63.100 0.133 0.000 0.880 446 P CB 0.530 32.291 31.700 0.102 0.000 2.175 450 G N 2.153 110.884 108.800 -0.114 0.000 2.444 450 G HA2 0.307 4.267 3.960 -0.000 0.000 0.289 450 G HA3 0.307 4.267 3.960 -0.000 0.000 0.289 450 G C 0.691 175.477 174.900 -0.190 0.000 0.814 450 G CA 1.145 46.133 45.100 -0.188 0.000 1.820 450 G HN 1.171 nan 8.290 nan 0.000 0.453 451 G N 1.408 109.930 108.800 -0.463 0.000 2.734 451 G HA2 0.321 4.280 3.960 -0.000 0.000 0.277 451 G HA3 0.321 4.280 3.960 -0.000 0.000 0.277 451 G C 0.664 175.173 174.900 -0.652 0.000 1.099 451 G CA 0.698 45.323 45.100 -0.791 0.000 1.218 451 G HN 2.527 nan 8.290 nan 0.000 0.554 452 A N 1.204 123.681 122.820 -0.571 0.000 2.734 452 A HA 0.128 4.448 4.320 -0.000 0.000 0.296 452 A C 1.571 179.109 177.584 -0.077 0.000 1.474 452 A CA 1.813 53.667 52.037 -0.305 0.000 0.735 452 A CB -1.452 17.351 19.000 -0.329 0.000 1.062 452 A HN 2.378 nan 8.150 nan 0.000 0.463 453 Q N -4.063 115.727 119.800 -0.015 0.000 2.457 453 Q HA -0.262 4.078 4.340 -0.000 0.000 0.283 453 Q C 0.468 176.566 176.000 0.164 0.000 1.234 453 Q CA 1.404 57.257 55.803 0.082 0.000 0.877 453 Q CB -2.827 25.966 28.738 0.092 0.000 1.250 453 Q HN 1.611 nan 8.270 nan 0.000 0.481 454 c N -1.529 117.193 118.600 0.203 0.000 2.365 454 c HA 0.601 5.171 4.570 -0.000 0.000 0.374 454 c C 1.589 176.018 174.090 0.564 0.000 1.318 454 c CA -0.155 56.353 56.329 0.298 0.000 2.239 454 c CB 0.444 43.093 42.510 0.232 0.000 2.144 454 c HN 0.571 nan 8.230 nan 0.000 0.581 455 F N 0.432 120.549 119.950 0.278 0.000 2.778 455 F HA 0.389 4.915 4.527 -0.000 0.000 0.314 455 F C 0.830 176.586 175.800 -0.074 0.000 1.073 455 F CA -0.129 57.926 58.000 0.093 0.000 1.218 455 F CB -0.091 38.844 39.000 -0.109 0.000 1.037 455 F HN 0.546 nan 8.300 nan 0.000 0.594 456 c N 1.574 120.178 118.600 0.006 0.000 2.382 456 c HA 0.328 4.898 4.570 -0.000 0.000 0.363 456 c C 1.186 175.246 174.090 -0.051 0.000 1.213 456 c CA -0.569 55.704 56.329 -0.094 0.000 2.363 456 c CB 1.157 43.681 42.510 0.024 0.000 2.397 456 c HN 0.393 nan 8.230 nan 0.000 0.573 457 D N 0.684 121.038 120.400 -0.076 0.000 2.394 457 D HA -0.017 4.623 4.640 -0.000 0.000 0.237 457 D C 1.839 178.138 176.300 -0.002 0.000 1.028 457 D CA 1.263 55.248 54.000 -0.026 0.000 0.937 457 D CB -0.364 40.408 40.800 -0.048 0.000 1.072 457 D HN 0.665 nan 8.370 nan 0.000 0.457 458 S N -0.268 115.425 115.700 -0.012 0.000 2.614 458 S HA 0.202 4.672 4.470 -0.000 0.000 0.230 458 S C 0.512 175.115 174.600 0.005 0.000 0.952 458 S CA -0.251 57.947 58.200 -0.003 0.000 0.949 458 S CB -0.075 63.121 63.200 -0.007 0.000 0.786 458 S HN 0.108 nan 8.310 nan 0.000 0.478 459 E N 1.289 121.497 120.200 0.012 0.000 2.939 459 E HA 0.312 4.662 4.350 -0.000 0.000 0.215 459 E C -0.872 175.752 176.600 0.041 0.000 1.025 459 E CA -0.337 56.078 56.400 0.024 0.000 1.259 459 E CB 0.254 29.969 29.700 0.026 0.000 1.228 459 E HN 0.318 nan 8.360 nan 0.000 0.443 460 N N 0.749 119.473 118.700 0.040 0.000 2.432 460 N HA 0.426 5.166 4.740 -0.000 0.000 0.292 460 N C -1.040 174.495 175.510 0.041 0.000 1.193 460 N CA -0.487 52.597 53.050 0.057 0.000 0.878 460 N CB 1.834 40.366 38.487 0.075 0.000 1.252 460 N HN 0.052 nan 8.380 nan 0.000 0.520 461 S N -0.842 114.891 115.700 0.056 0.000 2.562 461 S HA 0.404 4.873 4.470 -0.000 0.000 0.274 461 S C -1.042 173.601 174.600 0.071 0.000 1.160 461 S CA -0.934 57.297 58.200 0.050 0.000 0.933 461 S CB 1.899 65.123 63.200 0.039 0.000 1.100 461 S HN 0.591 nan 8.310 nan 0.000 0.468 465 E N 1.646 121.835 120.200 -0.019 0.000 2.266 465 E HA 0.920 5.270 4.350 -0.000 0.000 0.268 465 E C -0.670 175.879 176.600 -0.084 0.000 0.879 465 E CA -1.356 54.987 56.400 -0.096 0.000 0.762 465 E CB 2.167 31.922 29.700 0.091 0.000 1.199 465 E HN 0.656 nan 8.360 nan 0.000 0.422 466 A N 1.581 124.289 122.820 -0.188 0.000 2.608 466 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 466 A C -1.859 175.669 177.584 -0.093 0.000 1.066 466 A CA -0.847 51.088 52.037 -0.170 0.000 0.676 466 A CB 0.876 19.637 19.000 -0.398 0.000 1.277 466 A HN 0.800 nan 8.150 nan 0.000 0.413 467 Y N -1.326 118.902 120.300 -0.120 0.000 2.829 467 Y HA 0.839 5.388 4.550 -0.000 0.000 0.322 467 Y C -0.538 175.304 175.900 -0.098 0.000 1.357 467 Y CA -1.081 56.945 58.100 -0.122 0.000 1.081 467 Y CB 0.861 39.275 38.460 -0.076 0.000 1.339 467 Y HN 1.315 nan 8.280 nan 0.000 0.469 468 V N -1.568 118.393 119.914 0.078 0.000 2.864 468 V HA 0.822 4.942 4.120 -0.000 0.000 0.314 468 V C -0.745 175.478 176.094 0.214 0.000 1.073 468 V CA -0.690 61.628 62.300 0.031 0.000 0.956 468 V CB 1.747 33.472 31.823 -0.164 0.000 1.023 468 V HN 1.007 nan 8.190 nan 0.000 0.435 469 E N 1.985 122.313 120.200 0.213 0.000 2.504 469 E HA 0.661 5.011 4.350 -0.000 0.000 0.235 469 E C -1.258 175.466 176.600 0.207 0.000 0.827 469 E CA -1.128 55.407 56.400 0.226 0.000 0.903 469 E CB 2.005 31.846 29.700 0.235 0.000 1.622 469 E HN 0.661 nan 8.360 nan 0.000 0.392 470 L N 0.619 121.945 121.223 0.170 0.000 2.399 470 L HA 0.344 4.683 4.340 -0.000 0.000 0.265 470 L C 0.502 177.477 176.870 0.176 0.000 1.089 470 L CA -0.515 54.417 54.840 0.153 0.000 0.802 470 L CB 1.353 43.474 42.059 0.102 0.000 1.180 470 L HN 0.343 nan 8.230 nan 0.000 0.454 471 S N 0.511 116.318 115.700 0.178 0.000 2.593 471 S HA 0.238 4.708 4.470 -0.000 0.000 0.269 471 S C 1.181 175.912 174.600 0.218 0.000 1.334 471 S CA 0.060 58.396 58.200 0.226 0.000 1.015 471 S CB 1.320 64.662 63.200 0.238 0.000 0.912 471 S HN 0.696 nan 8.310 nan 0.000 0.541 472 A N 2.417 125.395 122.820 0.263 0.000 2.131 472 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 472 A C 1.056 178.723 177.584 0.139 0.000 1.158 472 A CA 1.682 53.826 52.037 0.178 0.000 0.665 472 A CB -0.316 18.738 19.000 0.091 0.000 0.795 472 A HN 0.824 nan 8.150 nan 0.000 0.460 473 D N -2.548 117.953 120.400 0.168 0.000 2.503 473 D HA 0.125 4.764 4.640 -0.000 0.000 0.218 473 D C 1.111 177.500 176.300 0.148 0.000 1.183 473 D CA -0.179 53.904 54.000 0.139 0.000 0.827 473 D CB -0.577 40.322 40.800 0.164 0.000 1.034 473 D HN 0.296 nan 8.370 nan 0.000 0.510 474 c N 1.251 119.939 118.600 0.147 0.000 2.396 474 c HA -0.222 4.348 4.570 -0.000 0.000 0.277 474 c C 2.812 176.995 174.090 0.155 0.000 1.231 474 c CA 1.673 58.076 56.329 0.123 0.000 1.775 474 c CB -0.741 41.814 42.510 0.075 0.000 2.036 474 c HN 0.462 nan 8.230 nan 0.000 0.484 475 A N -1.539 121.358 122.820 0.127 0.000 1.898 475 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 475 A C 2.344 180.069 177.584 0.234 0.000 1.181 475 A CA 2.129 54.252 52.037 0.144 0.000 0.620 475 A CB -0.900 18.136 19.000 0.061 0.000 0.819 475 A HN 0.524 nan 8.150 nan 0.000 0.442 476 S N -1.217 114.560 115.700 0.127 0.000 2.453 476 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 476 S C 0.040 174.651 174.600 0.019 0.000 1.005 476 S CA 0.950 59.185 58.200 0.059 0.000 0.949 476 S CB -0.167 63.046 63.200 0.021 0.000 0.774 476 S HN 0.557 nan 8.310 nan 0.000 0.510 477 D N 0.760 121.205 120.400 0.075 0.000 2.336 477 D HA 0.248 4.888 4.640 -0.000 0.000 0.248 477 D C -0.469 175.894 176.300 0.104 0.000 1.326 477 D CA -0.539 53.500 54.000 0.064 0.000 0.973 477 D CB 0.437 41.369 40.800 0.220 0.000 1.255 477 D HN 0.553 nan 8.370 nan 0.000 0.558 478 H N 0.347 119.369 119.070 -0.080 0.000 3.199 478 H HA 0.937 5.493 4.556 -0.000 0.000 0.292 478 H C -1.335 173.827 175.328 -0.276 0.000 1.600 478 H CA -1.204 54.660 56.048 -0.307 0.000 1.235 478 H CB 0.961 30.568 29.762 -0.260 0.000 1.839 478 H HN 0.261 nan 8.280 nan 0.000 0.623 479 A N -0.075 122.693 122.820 -0.088 0.000 2.524 479 A HA 0.520 4.839 4.320 -0.000 0.000 0.286 479 A C -1.488 176.124 177.584 0.046 0.000 1.203 479 A CA -0.892 51.164 52.037 0.032 0.000 0.736 479 A CB 2.042 21.161 19.000 0.199 0.000 1.322 479 A HN 0.649 nan 8.150 nan 0.000 0.424 480 Q N 0.320 120.120 119.800 -0.000 0.000 2.414 480 Q HA 0.544 4.883 4.340 -0.000 0.000 0.256 480 Q C -0.587 175.226 176.000 -0.312 0.000 0.974 480 Q CA -0.597 55.133 55.803 -0.122 0.000 0.723 480 Q CB 1.949 30.655 28.738 -0.053 0.000 1.281 480 Q HN 0.997 nan 8.270 nan 0.000 0.470 481 A N 3.759 126.180 122.820 -0.665 0.000 2.488 481 A HA 0.518 4.838 4.320 -0.000 0.000 0.249 481 A C -0.245 176.782 177.584 -0.929 0.000 1.083 481 A CA 0.311 51.497 52.037 -1.419 0.000 0.768 481 A CB 0.091 17.599 19.000 -2.487 0.000 1.017 481 A HN 0.777 nan 8.150 nan 0.000 0.496 482 I N 2.969 123.206 120.570 -0.556 0.000 2.611 482 I HA 0.169 4.339 4.170 -0.000 0.000 0.287 482 I C -0.274 175.955 176.117 0.188 0.000 1.184 482 I CA -0.463 60.796 61.300 -0.067 0.000 1.054 482 I CB 1.988 39.941 38.000 -0.078 0.000 1.257 482 I HN 0.651 nan 8.210 nan 0.000 0.435 483 K N 4.574 125.045 120.400 0.118 0.000 2.202 483 K HA 0.608 4.928 4.320 -0.000 0.000 0.264 483 K C -0.802 175.760 176.600 -0.063 0.000 1.010 483 K CA -0.581 55.659 56.287 -0.077 0.000 0.940 483 K CB 2.203 34.610 32.500 -0.156 0.000 0.983 483 K HN 0.237 nan 8.250 nan 0.000 0.475 484 V N 2.982 122.849 119.914 -0.077 0.000 2.445 484 V HA 0.087 4.206 4.120 -0.000 0.000 0.283 484 V C -0.867 175.305 176.094 0.129 0.000 1.014 484 V CA -0.771 61.521 62.300 -0.013 0.000 0.852 484 V CB 0.945 32.721 31.823 -0.079 0.000 1.021 484 V HN 0.708 nan 8.190 nan 0.000 0.435 485 H N 2.423 121.507 119.070 0.024 0.000 2.544 485 H HA 0.603 5.159 4.556 -0.000 0.000 0.342 485 H C 0.583 175.931 175.328 0.033 0.000 1.185 485 H CA -0.042 56.044 56.048 0.064 0.000 1.264 485 H CB 1.604 31.412 29.762 0.077 0.000 1.607 485 H HN 0.642 nan 8.280 nan 0.000 0.550 486 T N 1.469 115.667 114.554 -0.593 0.000 2.906 486 T HA 0.351 4.701 4.350 -0.000 0.000 0.329 486 T C 0.463 175.064 174.700 -0.165 0.000 1.091 486 T CA 0.582 62.480 62.100 -0.336 0.000 1.127 486 T CB 0.221 68.862 68.868 -0.380 0.000 1.035 486 T HN 0.693 nan 8.240 nan 0.000 0.547 487 A N 1.002 123.779 122.820 -0.071 0.000 2.869 487 A HA 0.945 5.265 4.320 -0.000 0.000 0.244 487 A C 0.108 177.705 177.584 0.023 0.000 1.374 487 A CA -0.269 51.760 52.037 -0.012 0.000 0.913 487 A CB 0.560 19.571 19.000 0.018 0.000 1.589 487 A HN 1.165 nan 8.150 nan 0.000 0.485 491 V N 0.350 120.149 119.914 -0.192 0.000 2.851 491 V HA 0.440 4.560 4.120 -0.000 0.000 0.307 491 V C -0.141 175.879 176.094 -0.124 0.000 1.129 491 V CA -0.838 61.387 62.300 -0.125 0.000 0.932 491 V CB 2.002 33.746 31.823 -0.133 0.000 1.024 491 V HN 0.883 nan 8.190 nan 0.000 0.426 492 G N 4.743 113.527 108.800 -0.027 0.000 2.639 492 G HA2 0.505 4.464 3.960 -0.000 0.000 0.312 492 G HA3 0.505 4.464 3.960 -0.000 0.000 0.312 492 G C -0.441 174.332 174.900 -0.211 0.000 0.911 492 G CA -0.211 44.930 45.100 0.068 0.000 1.410 492 G HN 0.527 nan 8.290 nan 0.000 0.469 493 L N 2.669 123.486 121.223 -0.677 0.000 2.276 493 L HA 0.458 4.798 4.340 -0.000 0.000 0.286 493 L C 0.472 176.909 176.870 -0.723 0.000 1.061 493 L CA -0.705 53.827 54.840 -0.513 0.000 0.807 493 L CB 1.461 43.294 42.059 -0.377 0.000 1.177 493 L HN 0.341 nan 8.230 nan 0.000 0.429 494 R N 4.972 125.396 120.500 -0.128 0.000 2.320 494 R HA 0.460 4.800 4.340 -0.000 0.000 0.319 494 R C -1.290 175.050 176.300 0.067 0.000 0.969 494 R CA -0.662 55.523 56.100 0.142 0.000 0.857 494 R CB 0.772 31.335 30.300 0.439 0.000 1.160 494 R HN 0.447 nan 8.270 nan 0.000 0.491 495 I N 3.780 124.366 120.570 0.027 0.000 2.392 495 I HA 0.350 4.520 4.170 -0.000 0.000 0.295 495 I C -0.159 176.029 176.117 0.117 0.000 0.985 495 I CA -0.847 60.467 61.300 0.024 0.000 1.221 495 I CB 1.993 39.945 38.000 -0.079 0.000 1.366 495 I HN 0.108 nan 8.210 nan 0.000 0.467 496 V N 6.428 126.425 119.914 0.139 0.000 2.487 496 V HA 0.475 4.595 4.120 -0.000 0.000 0.298 496 V C -1.112 175.141 176.094 0.265 0.000 1.028 496 V CA -0.708 61.720 62.300 0.213 0.000 0.860 496 V CB 1.308 33.189 31.823 0.098 0.000 0.991 496 V HN 0.654 nan 8.190 nan 0.000 0.427 497 Y N 2.381 122.636 120.300 -0.075 0.000 2.329 497 Y HA 0.773 5.323 4.550 -0.000 0.000 0.328 497 Y C 0.736 176.550 175.900 -0.143 0.000 0.992 497 Y CA -0.387 57.634 58.100 -0.131 0.000 1.151 497 Y CB 1.517 39.876 38.460 -0.168 0.000 1.150 497 Y HN 0.977 nan 8.280 nan 0.000 0.450 498 G N 3.486 112.202 108.800 -0.140 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 0.363 175.149 174.900 -0.190 0.000 1.233 498 G CA 0.976 45.964 45.100 -0.187 0.000 0.993 498 G HN 0.725 nan 8.290 nan 0.000 0.553 499 N N 1.783 120.354 118.700 -0.215 0.000 2.521 499 N HA 0.218 4.958 4.740 -0.000 0.000 0.188 499 N C 0.817 176.213 175.510 -0.190 0.000 1.146 499 N CA 1.523 54.476 53.050 -0.163 0.000 0.893 499 N CB 0.135 38.547 38.487 -0.125 0.000 0.975 499 N HN 0.979 nan 8.380 nan 0.000 0.451 500 T N -2.621 111.738 114.554 -0.325 0.000 2.876 500 T HA 0.577 4.927 4.350 -0.000 0.000 0.289 500 T C -0.154 174.441 174.700 -0.175 0.000 1.014 500 T CA -0.957 60.960 62.100 -0.305 0.000 0.986 500 T CB 2.110 70.714 68.868 -0.440 0.000 1.021 500 T HN 0.039 nan 8.240 nan 0.000 0.458 501 T N -0.536 114.024 114.554 0.009 0.000 2.812 501 T HA 0.713 5.063 4.350 -0.000 0.000 0.282 501 T C -0.461 174.351 174.700 0.186 0.000 0.990 501 T CA -0.621 61.562 62.100 0.137 0.000 0.960 501 T CB 1.589 70.508 68.868 0.086 0.000 0.948 501 T HN 0.735 nan 8.240 nan 0.000 0.438 502 S N 2.506 118.356 115.700 0.250 0.000 2.671 502 S HA 0.856 5.326 4.470 -0.000 0.000 0.299 502 S C -1.887 172.841 174.600 0.212 0.000 1.116 502 S CA -0.868 57.459 58.200 0.212 0.000 0.912 502 S CB 1.358 64.682 63.200 0.207 0.000 1.130 502 S HN 0.765 nan 8.310 nan 0.000 0.501 503 F N 3.232 123.203 119.950 0.034 0.000 2.585 503 F HA 0.631 5.158 4.527 -0.000 0.000 0.319 503 F C -1.730 174.074 175.800 0.006 0.000 1.165 503 F CA -0.877 57.132 58.000 0.014 0.000 0.949 503 F CB 1.082 40.090 39.000 0.014 0.000 1.218 503 F HN 0.546 nan 8.300 nan 0.000 0.453 504 L N 2.366 123.276 121.223 -0.521 0.000 2.370 504 L HA 0.756 5.096 4.340 -0.000 0.000 0.266 504 L C -1.398 175.183 176.870 -0.481 0.000 1.002 504 L CA -0.785 53.879 54.840 -0.293 0.000 0.818 504 L CB 1.613 43.573 42.059 -0.165 0.000 1.325 504 L HN 0.354 nan 8.230 nan 0.000 0.418 505 D N 0.849 121.150 120.400 -0.165 0.000 2.264 505 D HA 0.641 5.281 4.640 -0.000 0.000 0.249 505 D C -0.801 175.435 176.300 -0.108 0.000 1.070 505 D CA -0.028 53.892 54.000 -0.133 0.000 0.912 505 D CB 2.166 42.956 40.800 -0.017 0.000 1.193 505 D HN 0.608 nan 8.370 nan 0.000 0.427 506 V N 2.877 122.709 119.914 -0.137 0.000 2.711 506 V HA 0.287 4.407 4.120 -0.000 0.000 0.304 506 V C -1.553 174.489 176.094 -0.087 0.000 1.097 506 V CA -0.666 61.598 62.300 -0.060 0.000 0.906 506 V CB 0.782 32.562 31.823 -0.072 0.000 1.015 506 V HN 0.500 nan 8.190 nan 0.000 0.427 507 Y N 4.290 124.564 120.300 -0.042 0.000 2.497 507 Y HA 0.263 4.812 4.550 -0.000 0.000 0.334 507 Y C 0.848 176.721 175.900 -0.045 0.000 1.199 507 Y CA 0.246 58.326 58.100 -0.034 0.000 1.425 507 Y CB 1.152 39.597 38.460 -0.025 0.000 1.291 507 Y HN 0.440 nan 8.280 nan 0.000 0.562 508 V N 5.577 125.534 119.914 0.073 0.000 2.222 508 V HA 0.184 4.304 4.120 -0.000 0.000 0.253 508 V C -0.639 175.472 176.094 0.029 0.000 1.210 508 V CA -0.339 61.970 62.300 0.015 0.000 1.079 508 V CB -1.227 30.574 31.823 -0.037 0.000 1.265 508 V HN 0.810 nan 8.190 nan 0.000 0.494 509 N N 2.268 120.986 118.700 0.030 0.000 2.494 509 N HA 0.331 5.071 4.740 -0.000 0.000 0.270 509 N C 0.791 176.298 175.510 -0.006 0.000 1.285 509 N CA -0.391 52.666 53.050 0.012 0.000 0.812 509 N CB 1.555 40.054 38.487 0.019 0.000 1.557 509 N HN 0.156 nan 8.380 nan 0.000 0.487 510 G N -1.004 107.787 108.800 -0.015 0.000 2.740 510 G HA2 0.058 4.017 3.960 -0.000 0.000 0.208 510 G HA3 0.058 4.017 3.960 -0.000 0.000 0.208 510 G C 0.746 175.632 174.900 -0.023 0.000 1.148 510 G CA 1.338 46.424 45.100 -0.024 0.000 0.795 510 G HN 0.639 nan 8.290 nan 0.000 0.526 511 V N -3.602 116.301 119.914 -0.018 0.000 3.444 511 V HA 0.294 4.413 4.120 -0.000 0.000 0.210 511 V C 1.112 177.194 176.094 -0.020 0.000 1.217 511 V CA 0.456 62.743 62.300 -0.022 0.000 1.302 511 V CB -0.514 31.293 31.823 -0.026 0.000 1.341 511 V HN -0.076 nan 8.190 nan 0.000 0.522 512 T N 4.870 119.413 114.554 -0.017 0.000 2.792 512 T HA 0.326 4.676 4.350 -0.000 0.000 0.286 512 T C -2.425 172.279 174.700 0.007 0.000 0.970 512 T CA 0.149 62.240 62.100 -0.016 0.000 1.187 512 T CB 0.332 69.176 68.868 -0.039 0.000 0.915 512 T HN 0.511 nan 8.240 nan 0.000 0.529 513 P HA 0.314 nan 4.420 nan 0.000 0.285 513 P C 0.241 177.545 177.300 0.006 0.000 1.259 513 P CA -0.535 62.560 63.100 -0.007 0.000 0.794 513 P CB 0.679 32.370 31.700 -0.015 0.000 0.940 514 G N 1.654 110.450 108.800 -0.006 0.000 2.494 514 G HA2 0.187 4.147 3.960 -0.000 0.000 0.297 514 G HA3 0.187 4.147 3.960 -0.000 0.000 0.297 514 G C 0.625 175.522 174.900 -0.005 0.000 0.971 514 G CA -0.317 44.780 45.100 -0.004 0.000 1.378 514 G HN 0.509 nan 8.290 nan 0.000 0.456 515 T N 0.189 114.752 114.554 0.015 0.000 4.496 515 T HA 0.086 4.436 4.350 -0.000 0.000 0.248 515 T C 1.025 175.736 174.700 0.019 0.000 0.797 515 T CA -0.153 61.956 62.100 0.015 0.000 1.100 515 T CB -0.285 68.596 68.868 0.020 0.000 1.356 515 T HN 0.274 nan 8.240 nan 0.000 0.727 516 S N 1.286 116.991 115.700 0.008 0.000 2.533 516 S HA 0.149 4.619 4.470 -0.000 0.000 0.282 516 S C 1.557 176.171 174.600 0.022 0.000 1.304 516 S CA -0.853 57.358 58.200 0.018 0.000 1.063 516 S CB 0.530 63.728 63.200 -0.003 0.000 0.881 516 S HN 0.413 nan 8.310 nan 0.000 0.493 517 K N 3.530 123.951 120.400 0.035 0.000 1.991 517 K HA -0.095 4.224 4.320 -0.000 0.000 0.212 517 K C 1.019 177.643 176.600 0.039 0.000 1.049 517 K CA 1.729 58.037 56.287 0.036 0.000 0.932 517 K CB -0.474 32.050 32.500 0.040 0.000 0.717 517 K HN 0.583 nan 8.250 nan 0.000 0.441 518 D N -0.401 120.031 120.400 0.054 0.000 2.350 518 D HA 0.133 4.773 4.640 -0.000 0.000 0.213 518 D C -0.260 176.072 176.300 0.053 0.000 1.031 518 D CA 0.235 54.278 54.000 0.071 0.000 0.861 518 D CB 0.421 41.287 40.800 0.109 0.000 0.926 518 D HN -0.047 nan 8.370 nan 0.000 0.520 519 L N 0.886 122.115 121.223 0.010 0.000 2.441 519 L HA 0.347 4.687 4.340 -0.000 0.000 0.270 519 L C -0.901 175.937 176.870 -0.053 0.000 0.973 519 L CA -0.673 54.134 54.840 -0.055 0.000 0.842 519 L CB 1.620 43.594 42.059 -0.142 0.000 1.239 519 L HN -0.331 nan 8.230 nan 0.000 0.406 520 K N 4.258 124.630 120.400 -0.046 0.000 2.250 520 K HA 0.447 4.766 4.320 -0.000 0.000 0.280 520 K C -0.904 175.660 176.600 -0.060 0.000 1.098 520 K CA -0.386 55.876 56.287 -0.041 0.000 0.916 520 K CB 1.601 34.087 32.500 -0.025 0.000 1.209 520 K HN 0.220 nan 8.250 nan 0.000 0.461 521 V N 5.023 124.896 119.914 -0.068 0.000 2.581 521 V HA 0.475 4.595 4.120 -0.000 0.000 0.303 521 V C -0.128 175.929 176.094 -0.062 0.000 1.041 521 V CA -0.851 61.402 62.300 -0.078 0.000 0.907 521 V CB 1.719 33.479 31.823 -0.104 0.000 0.994 521 V HN 0.625 nan 8.190 nan 0.000 0.442 522 I N 3.283 123.815 120.570 -0.063 0.000 2.447 522 I HA 0.610 4.780 4.170 -0.000 0.000 0.287 522 I C 0.052 176.131 176.117 -0.063 0.000 1.023 522 I CA -0.681 60.589 61.300 -0.051 0.000 1.083 522 I CB 1.978 39.952 38.000 -0.045 0.000 1.245 522 I HN 0.669 nan 8.210 nan 0.000 0.434 523 A N 5.405 128.191 122.820 -0.056 0.000 2.294 523 A HA 0.674 4.994 4.320 -0.000 0.000 0.316 523 A C 0.592 178.141 177.584 -0.058 0.000 1.359 523 A CA -0.359 51.636 52.037 -0.070 0.000 0.956 523 A CB 0.205 19.158 19.000 -0.080 0.000 1.155 523 A HN 0.850 nan 8.150 nan 0.000 0.544 524 G N 2.713 111.472 108.800 -0.068 0.000 2.794 524 G HA2 0.377 4.337 3.960 -0.000 0.000 0.249 524 G HA3 0.377 4.337 3.960 -0.000 0.000 0.249 524 G C -2.623 172.246 174.900 -0.053 0.000 1.236 524 G CA -0.812 44.254 45.100 -0.058 0.000 0.880 524 G HN 0.506 nan 8.290 nan 0.000 0.586 525 P HA 0.080 nan 4.420 nan 0.000 0.267 525 P C 0.390 177.661 177.300 -0.048 0.000 1.209 525 P CA -0.424 62.657 63.100 -0.032 0.000 0.763 525 P CB 0.639 32.326 31.700 -0.021 0.000 0.816 526 I N 3.092 123.630 120.570 -0.054 0.000 3.003 526 I HA -0.166 4.004 4.170 -0.000 0.000 0.294 526 I C 1.510 177.588 176.117 -0.065 0.000 1.237 526 I CA 0.932 62.179 61.300 -0.088 0.000 1.417 526 I CB 0.495 38.432 38.000 -0.104 0.000 1.340 526 I HN 0.438 nan 8.210 nan 0.000 0.594 527 S N 4.897 120.542 115.700 -0.092 0.000 2.453 527 S HA 0.297 4.767 4.470 -0.000 0.000 0.231 527 S C 0.581 175.175 174.600 -0.009 0.000 1.005 527 S CA 0.301 58.467 58.200 -0.056 0.000 0.949 527 S CB -0.296 62.858 63.200 -0.076 0.000 0.774 527 S HN 1.080 nan 8.310 nan 0.000 0.510 528 A N 1.664 124.496 122.820 0.020 0.000 2.497 528 A HA 0.605 4.924 4.320 -0.000 0.000 0.280 528 A C -0.138 177.570 177.584 0.207 0.000 1.065 528 A CA -0.606 51.493 52.037 0.104 0.000 0.781 528 A CB 0.860 19.932 19.000 0.120 0.000 1.289 528 A HN 0.533 nan 8.150 nan 0.000 0.415 529 S N 1.605 117.403 115.700 0.163 0.000 2.506 529 S HA 0.457 4.927 4.470 -0.000 0.000 0.291 529 S C -0.442 174.315 174.600 0.261 0.000 1.230 529 S CA 0.130 58.439 58.200 0.182 0.000 1.107 529 S CB -0.409 62.849 63.200 0.097 0.000 0.942 529 S HN 1.306 nan 8.310 nan 0.000 0.502 530 F N 2.199 122.233 119.950 0.140 0.000 2.578 530 F HA 0.679 5.206 4.527 -0.000 0.000 0.311 530 F C -0.452 175.317 175.800 -0.051 0.000 1.094 530 F CA -0.379 57.601 58.000 -0.032 0.000 0.923 530 F CB 2.188 40.977 39.000 -0.351 0.000 1.230 530 F HN 0.605 nan 8.300 nan 0.000 0.450 531 T N 5.636 119.444 114.554 -1.243 0.000 2.909 531 T HA 0.486 4.836 4.350 -0.000 0.000 0.299 531 T C -2.429 171.507 174.700 -1.273 0.000 1.073 531 T CA -1.909 59.630 62.100 -0.935 0.000 0.999 531 T CB 2.023 70.749 68.868 -0.236 0.000 1.098 531 T HN 0.454 nan 8.240 nan 0.000 0.477 532 P HA 0.222 nan 4.420 nan 0.000 0.231 532 P C -0.306 176.615 177.300 -0.632 0.000 1.168 532 P CA 0.428 63.077 63.100 -0.751 0.000 0.779 532 P CB 0.026 31.169 31.700 -0.929 0.000 0.844 533 F N -0.142 119.716 119.950 -0.154 0.000 2.408 533 F HA 0.408 4.935 4.527 -0.000 0.000 0.325 533 F C 0.937 176.716 175.800 -0.035 0.000 1.082 533 F CA -0.939 57.026 58.000 -0.058 0.000 1.032 533 F CB 0.399 39.380 39.000 -0.032 0.000 1.259 533 F HN -0.333 nan 8.300 nan 0.000 0.503 534 D N -1.202 119.328 120.400 0.216 0.000 2.326 534 D HA 0.115 4.755 4.640 -0.000 0.000 0.251 534 D C 0.889 177.286 176.300 0.162 0.000 1.023 534 D CA -0.300 53.791 54.000 0.152 0.000 0.966 534 D CB 0.850 41.719 40.800 0.116 0.000 1.156 534 D HN 0.668 nan 8.370 nan 0.000 0.494 535 H N 0.782 119.890 119.070 0.062 0.000 2.431 535 H HA -0.109 4.447 4.556 -0.000 0.000 0.297 535 H C -0.169 175.177 175.328 0.030 0.000 1.115 535 H CA 1.705 57.784 56.048 0.051 0.000 1.277 535 H CB 0.348 30.119 29.762 0.016 0.000 1.372 535 H HN 0.037 nan 8.280 nan 0.000 0.516 536 K N 0.113 120.428 120.400 -0.142 0.000 2.345 536 K HA 0.529 4.849 4.320 -0.000 0.000 0.255 536 K C -1.617 175.041 176.600 0.097 0.000 0.934 536 K CA -0.852 55.315 56.287 -0.201 0.000 0.801 536 K CB 2.808 34.953 32.500 -0.593 0.000 1.137 536 K HN -0.053 nan 8.250 nan 0.000 0.424 537 V N 2.937 123.043 119.914 0.319 0.000 2.888 537 V HA 0.392 4.512 4.120 -0.000 0.000 0.309 537 V C -0.832 175.441 176.094 0.299 0.000 1.114 537 V CA -0.941 61.542 62.300 0.305 0.000 0.940 537 V CB 2.319 34.265 31.823 0.205 0.000 1.021 537 V HN 0.455 nan 8.190 nan 0.000 0.426 538 V N 4.866 124.931 119.914 0.251 0.000 2.547 538 V HA 0.573 4.693 4.120 -0.000 0.000 0.299 538 V C -0.375 175.848 176.094 0.215 0.000 1.040 538 V CA -0.541 61.809 62.300 0.085 0.000 0.913 538 V CB 1.952 33.653 31.823 -0.204 0.000 0.992 538 V HN 0.655 nan 8.190 nan 0.000 0.449 539 I N 2.871 123.529 120.570 0.147 0.000 2.410 539 I HA 0.364 4.533 4.170 -0.000 0.000 0.286 539 I C 0.530 176.805 176.117 0.263 0.000 1.009 539 I CA -0.376 61.045 61.300 0.203 0.000 1.111 539 I CB 1.565 39.621 38.000 0.093 0.000 1.262 539 I HN 0.804 nan 8.210 nan 0.000 0.443 540 H N 5.988 125.284 119.070 0.376 0.000 2.428 540 H HA 0.210 4.765 4.556 -0.000 0.000 0.323 540 H C 1.836 177.280 175.328 0.193 0.000 1.091 540 H CA 1.452 57.729 56.048 0.382 0.000 1.501 540 H CB 0.484 30.610 29.762 0.607 0.000 1.508 540 H HN 0.479 nan 8.280 nan 0.000 0.608 541 R N -1.315 119.436 120.500 0.418 0.000 1.981 541 R HA 0.223 4.563 4.340 -0.000 0.000 0.207 541 R C 1.760 178.126 176.300 0.111 0.000 1.375 541 R CA 0.934 57.155 56.100 0.202 0.000 1.068 541 R CB -0.268 30.224 30.300 0.319 0.000 0.890 541 R HN 0.518 nan 8.270 nan 0.000 0.481 542 G N -0.366 108.504 108.800 0.117 0.000 3.453 542 G HA2 0.253 4.212 3.960 -0.000 0.000 0.263 542 G HA3 0.253 4.212 3.960 -0.000 0.000 0.263 542 G C -0.634 174.300 174.900 0.056 0.000 1.060 542 G CA -0.221 44.920 45.100 0.067 0.000 0.793 542 G HN -0.025 nan 8.290 nan 0.000 0.532 543 L N 1.092 122.368 121.223 0.089 0.000 2.322 543 L HA 0.624 4.964 4.340 -0.000 0.000 0.281 543 L C -0.140 176.677 176.870 -0.088 0.000 1.014 543 L CA -1.092 53.720 54.840 -0.047 0.000 0.815 543 L CB 2.229 44.244 42.059 -0.073 0.000 1.247 543 L HN -0.084 nan 8.230 nan 0.000 0.421 544 V N 2.096 121.879 119.914 -0.220 0.000 2.513 544 V HA 0.648 4.768 4.120 -0.000 0.000 0.299 544 V C -1.343 174.595 176.094 -0.260 0.000 1.035 544 V CA -0.338 61.923 62.300 -0.064 0.000 0.889 544 V CB 1.431 33.322 31.823 0.114 0.000 0.988 544 V HN 0.584 nan 8.190 nan 0.000 0.440 545 Y N 2.700 123.138 120.300 0.230 0.000 2.425 545 Y HA 0.480 5.029 4.550 -0.000 0.000 0.344 545 Y C 0.433 176.479 175.900 0.244 0.000 0.969 545 Y CA -0.785 57.453 58.100 0.230 0.000 1.052 545 Y CB 1.662 40.302 38.460 0.300 0.000 1.215 545 Y HN 0.675 nan 8.280 nan 0.000 0.451 546 N N 2.459 121.369 118.700 0.349 0.000 2.416 546 N HA 0.127 4.866 4.740 -0.000 0.000 0.265 546 N C -1.713 174.004 175.510 0.346 0.000 1.195 546 N CA 0.022 53.246 53.050 0.290 0.000 0.943 546 N CB 0.333 38.933 38.487 0.188 0.000 1.115 546 N HN 0.488 nan 8.380 nan 0.000 0.481 547 Y N 1.505 121.894 120.300 0.147 0.000 2.401 547 Y HA 0.157 4.707 4.550 -0.000 0.000 0.330 547 Y C -0.983 174.924 175.900 0.012 0.000 1.071 547 Y CA -1.209 56.946 58.100 0.090 0.000 1.049 547 Y CB 1.273 39.753 38.460 0.032 0.000 1.239 547 Y HN 0.377 nan 8.280 nan 0.000 0.437 548 D N 6.560 126.623 120.400 -0.562 0.000 3.032 548 D HA 0.098 4.737 4.640 -0.000 0.000 0.241 548 D C -0.239 175.705 176.300 -0.593 0.000 1.196 548 D CA 0.114 53.805 54.000 -0.516 0.000 0.927 548 D CB -1.029 39.576 40.800 -0.324 0.000 1.129 548 D HN 0.337 nan 8.370 nan 0.000 0.458 549 F N -0.043 119.701 119.950 -0.343 0.000 2.646 549 F HA 0.192 4.719 4.527 -0.000 0.000 0.363 549 F C -2.001 173.902 175.800 0.171 0.000 1.143 549 F CA -1.907 56.135 58.000 0.071 0.000 1.356 549 F CB -0.734 38.490 39.000 0.373 0.000 1.055 549 F HN 0.011 nan 8.300 nan 0.000 0.606 550 P HA 0.049 nan 4.420 nan 0.000 0.274 550 P C -0.520 177.036 177.300 0.426 0.000 1.237 550 P CA -0.243 63.025 63.100 0.280 0.000 0.793 550 P CB 0.705 32.537 31.700 0.221 0.000 0.977 551 E N 0.560 120.912 120.200 0.253 0.000 2.418 551 E HA -0.049 4.301 4.350 -0.000 0.000 0.261 551 E C -0.152 176.632 176.600 0.306 0.000 1.070 551 E CA -0.035 56.554 56.400 0.314 0.000 0.931 551 E CB -0.038 29.772 29.700 0.183 0.000 0.954 551 E HN 0.422 nan 8.360 nan 0.000 0.439 552 Y N 0.604 121.062 120.300 0.262 0.000 2.805 552 Y HA 0.094 4.644 4.550 -0.000 0.000 0.331 552 Y C 1.428 177.321 175.900 -0.013 0.000 1.241 552 Y CA 1.784 59.915 58.100 0.051 0.000 1.546 552 Y CB 0.094 38.634 38.460 0.133 0.000 1.248 552 Y HN 0.700 nan 8.280 nan 0.000 0.559 553 G N 2.897 111.309 108.800 -0.648 0.000 2.199 553 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.254 553 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.254 553 G C 0.104 174.878 174.900 -0.210 0.000 0.982 553 G CA 0.125 44.948 45.100 -0.462 0.000 0.632 553 G HN 1.273 nan 8.290 nan 0.000 0.529 557 P HA 0.194 nan 4.420 nan 0.000 0.286 557 P C 0.623 177.982 177.300 0.098 0.000 1.261 557 P CA 0.294 63.421 63.100 0.046 0.000 0.821 557 P CB 1.186 32.894 31.700 0.013 0.000 1.013 558 G N 0.836 109.721 108.800 0.140 0.000 2.353 558 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.258 558 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.258 558 G C 0.512 175.531 174.900 0.199 0.000 1.013 558 G CA 0.431 45.634 45.100 0.172 0.000 0.622 558 G HN 0.907 nan 8.290 nan 0.000 0.535 559 A N -0.198 122.744 122.820 0.202 0.000 2.257 559 A HA 0.715 5.035 4.320 -0.000 0.000 0.289 559 A C 0.173 177.964 177.584 0.346 0.000 1.095 559 A CA -0.021 52.185 52.037 0.282 0.000 0.836 559 A CB 0.426 19.581 19.000 0.257 0.000 1.111 559 A HN 1.381 nan 8.150 nan 0.000 0.497 560 F N 0.719 120.866 119.950 0.329 0.000 2.602 560 F HA 0.387 4.913 4.527 -0.000 0.000 0.367 560 F C 1.400 177.367 175.800 0.279 0.000 1.126 560 F CA 1.422 59.601 58.000 0.298 0.000 1.321 560 F CB 0.332 39.462 39.000 0.217 0.000 1.094 560 F HN 1.224 nan 8.300 nan 0.000 0.594 561 G N 4.256 112.723 108.800 -0.555 0.000 2.147 561 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.244 561 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.244 561 G C 0.722 175.540 174.900 -0.136 0.000 1.005 561 G CA 0.483 45.412 45.100 -0.284 0.000 0.713 561 G HN 0.912 nan 8.290 nan 0.000 0.515 562 D N -0.010 120.357 120.400 -0.055 0.000 2.133 562 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 562 D C 1.559 177.798 176.300 -0.101 0.000 0.997 562 D CA 1.644 55.633 54.000 -0.019 0.000 0.840 562 D CB -0.186 40.669 40.800 0.091 0.000 0.947 562 D HN 1.203 nan 8.370 nan 0.000 0.452 563 I N -2.785 117.725 120.570 -0.099 0.000 2.646 563 I HA 0.492 4.662 4.170 -0.000 0.000 0.299 563 I C -1.122 174.877 176.117 -0.197 0.000 1.036 563 I CA -0.925 60.295 61.300 -0.132 0.000 1.074 563 I CB 2.250 40.232 38.000 -0.029 0.000 1.258 563 I HN -0.202 nan 8.210 nan 0.000 0.430 564 Q N 4.092 123.759 119.800 -0.223 0.000 2.495 564 Q HA 0.892 5.232 4.340 -0.000 0.000 0.287 564 Q C -1.494 174.508 176.000 0.004 0.000 1.078 564 Q CA -1.318 54.352 55.803 -0.222 0.000 0.793 564 Q CB 2.681 31.057 28.738 -0.604 0.000 1.459 564 Q HN 0.977 nan 8.270 nan 0.000 0.422 565 A N -0.181 122.729 122.820 0.150 0.000 2.560 565 A HA 0.367 4.687 4.320 -0.000 0.000 0.300 565 A C 0.235 177.892 177.584 0.122 0.000 1.062 565 A CA -0.418 51.703 52.037 0.139 0.000 0.767 565 A CB 0.631 19.657 19.000 0.043 0.000 1.288 565 A HN 0.771 nan 8.150 nan 0.000 0.396 566 T N -0.799 113.786 114.554 0.050 0.000 2.881 566 T HA 0.209 4.558 4.350 -0.000 0.000 0.270 566 T C 0.982 175.658 174.700 -0.040 0.000 1.068 566 T CA 1.806 63.887 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 1.086 nan 8.240 nan 0.000 0.479 567 S N -1.283 114.394 115.700 -0.038 0.000 2.757 567 S HA 0.526 4.996 4.470 -0.000 0.000 0.285 567 S C -0.101 174.451 174.600 -0.079 0.000 1.196 567 S CA -0.753 57.404 58.200 -0.072 0.000 0.856 567 S CB 0.747 63.907 63.200 -0.068 0.000 1.212 567 S HN 0.051 nan 8.310 nan 0.000 0.516 568 L N 1.862 123.019 121.223 -0.109 0.000 2.395 568 L HA 0.085 4.425 4.340 -0.000 0.000 0.218 568 L C 2.048 178.893 176.870 -0.042 0.000 1.130 568 L CA 1.478 56.254 54.840 -0.106 0.000 0.826 568 L CB -2.095 39.879 42.059 -0.141 0.000 0.941 568 L HN 0.902 nan 8.230 nan 0.000 0.451 569 T N -2.033 112.502 114.554 -0.032 0.000 3.565 569 T HA 0.052 4.402 4.350 -0.000 0.000 0.248 569 T C 0.977 175.677 174.700 0.000 0.000 1.033 569 T CA 0.390 62.484 62.100 -0.009 0.000 0.952 569 T CB -1.069 67.791 68.868 -0.013 0.000 1.072 569 T HN 0.419 nan 8.240 nan 0.000 0.609 570 S N 0.094 115.796 115.700 0.004 0.000 3.447 570 S HA -0.217 4.253 4.470 -0.000 0.000 0.371 570 S C -0.114 174.495 174.600 0.016 0.000 0.951 570 S CA 0.442 58.654 58.200 0.019 0.000 1.269 570 S CB -2.265 60.956 63.200 0.035 0.000 0.919 570 S HN 0.863 nan 8.310 nan 0.000 0.516 571 K N 1.662 122.066 120.400 0.008 0.000 2.111 571 K HA 0.296 4.616 4.320 -0.000 0.000 0.249 571 K C -0.196 176.420 176.600 0.027 0.000 1.157 571 K CA -0.132 56.158 56.287 0.005 0.000 1.048 571 K CB -0.425 32.065 32.500 -0.016 0.000 1.498 571 K HN 0.549 nan 8.250 nan 0.000 0.344 572 D N 1.600 122.022 120.400 0.037 0.000 3.187 572 D HA -0.132 4.508 4.640 -0.000 0.000 0.244 572 D C -0.848 175.514 176.300 0.103 0.000 1.114 572 D CA 0.506 54.545 54.000 0.064 0.000 0.920 572 D CB -0.902 39.942 40.800 0.073 0.000 0.970 572 D HN 0.302 nan 8.370 nan 0.000 0.418 573 L N -0.444 120.817 121.223 0.064 0.000 2.281 573 L HA 0.590 4.930 4.340 -0.000 0.000 0.285 573 L C 0.460 177.322 176.870 -0.012 0.000 1.074 573 L CA -0.700 54.166 54.840 0.044 0.000 0.817 573 L CB 0.189 42.268 42.059 0.034 0.000 1.168 573 L HN 0.301 nan 8.230 nan 0.000 0.434 574 I N 0.856 121.377 120.570 -0.081 0.000 2.382 574 I HA 0.963 5.133 4.170 -0.000 0.000 0.285 574 I C -0.083 175.906 176.117 -0.213 0.000 1.007 574 I CA -0.739 60.458 61.300 -0.170 0.000 1.142 574 I CB 1.446 39.273 38.000 -0.288 0.000 1.289 574 I HN 0.780 nan 8.210 nan 0.000 0.453 575 A N 4.193 126.909 122.820 -0.174 0.000 2.354 575 A HA 0.823 5.143 4.320 -0.000 0.000 0.321 575 A C -0.382 177.091 177.584 -0.185 0.000 1.125 575 A CA -0.703 51.221 52.037 -0.188 0.000 0.799 575 A CB 1.879 20.764 19.000 -0.192 0.000 1.293 575 A HN 0.733 nan 8.150 nan 0.000 0.452 576 S N 0.432 116.023 115.700 -0.181 0.000 2.652 576 S HA 0.450 4.920 4.470 -0.000 0.000 0.252 576 S C 0.062 174.572 174.600 -0.150 0.000 1.219 576 S CA 0.257 58.368 58.200 -0.148 0.000 1.151 576 S CB 0.149 63.283 63.200 -0.111 0.000 1.080 576 S HN 1.437 nan 8.310 nan 0.000 0.481 577 T N 0.036 114.471 114.554 -0.200 0.000 3.266 577 T HA 0.299 4.649 4.350 -0.000 0.000 0.278 577 T C -0.050 174.588 174.700 -0.104 0.000 1.010 577 T CA -0.217 61.753 62.100 -0.216 0.000 0.909 577 T CB -0.507 68.034 68.868 -0.545 0.000 1.122 577 T HN 0.484 nan 8.240 nan 0.000 0.536 578 D N 1.318 121.676 120.400 -0.069 0.000 2.720 578 D HA -0.136 4.504 4.640 -0.000 0.000 0.229 578 D C -0.322 175.972 176.300 -0.010 0.000 1.198 578 D CA 0.515 54.498 54.000 -0.028 0.000 0.639 578 D CB -1.496 39.306 40.800 0.005 0.000 1.003 578 D HN 0.690 nan 8.370 nan 0.000 0.411 579 I N 0.337 120.881 120.570 -0.042 0.000 2.588 579 I HA 0.114 4.284 4.170 -0.000 0.000 0.283 579 I C 0.986 177.113 176.117 0.017 0.000 1.119 579 I CA 0.260 61.557 61.300 -0.004 0.000 1.419 579 I CB 0.711 38.656 38.000 -0.092 0.000 1.394 579 I HN -0.102 nan 8.210 nan 0.000 0.562 580 R N 6.400 126.953 120.500 0.087 0.000 2.473 580 R HA 0.443 4.783 4.340 -0.000 0.000 0.303 580 R C -1.292 175.093 176.300 0.141 0.000 1.002 580 R CA -0.917 55.234 56.100 0.084 0.000 0.884 580 R CB 1.411 31.753 30.300 0.069 0.000 1.173 580 R HN 0.391 nan 8.270 nan 0.000 0.464 581 L N 4.441 125.751 121.223 0.144 0.000 2.397 581 L HA 0.401 4.741 4.340 -0.000 0.000 0.271 581 L C 0.211 177.239 176.870 0.264 0.000 1.148 581 L CA 0.111 55.089 54.840 0.230 0.000 0.825 581 L CB 0.193 42.410 42.059 0.265 0.000 1.117 581 L HN 0.539 nan 8.230 nan 0.000 0.456 582 L N 2.300 123.581 121.223 0.097 0.000 2.354 582 L HA 0.433 4.773 4.340 -0.000 0.000 0.269 582 L C 0.206 176.683 176.870 -0.656 0.000 1.005 582 L CA -1.017 53.733 54.840 -0.149 0.000 0.819 582 L CB 1.986 43.996 42.059 -0.082 0.000 1.311 582 L HN 0.515 nan 8.230 nan 0.000 0.423 583 K N 3.248 123.072 120.400 -0.961 0.000 2.419 583 K HA 0.141 4.460 4.320 -0.000 0.000 0.282 583 K C -2.256 174.030 176.600 -0.524 0.000 1.056 583 K CA -1.235 54.373 56.287 -1.131 0.000 1.035 583 K CB -0.170 31.923 32.500 -0.678 0.000 0.921 583 K HN 0.273 nan 8.250 nan 0.000 0.472 584 P HA 0.056 nan 4.420 nan 0.000 0.280 584 P C -0.635 176.564 177.300 -0.169 0.000 1.244 584 P CA -0.298 62.688 63.100 -0.189 0.000 0.784 584 P CB 1.226 32.868 31.700 -0.098 0.000 0.913 585 S N 1.336 116.995 115.700 -0.067 0.000 2.603 585 S HA 0.432 4.902 4.470 -0.000 0.000 0.268 585 S C 0.609 175.245 174.600 0.059 0.000 1.317 585 S CA -0.396 57.780 58.200 -0.039 0.000 1.012 585 S CB 0.552 63.738 63.200 -0.023 0.000 0.926 585 S HN 0.572 nan 8.310 nan 0.000 0.539 586 A N 1.731 124.594 122.820 0.072 0.000 3.094 586 A HA 0.378 4.698 4.320 -0.000 0.000 0.288 586 A C 0.827 178.451 177.584 0.067 0.000 1.519 586 A CA -0.532 51.638 52.037 0.221 0.000 1.227 586 A CB -0.615 18.520 19.000 0.225 0.000 1.175 586 A HN 0.858 nan 8.150 nan 0.000 0.568 587 K N -0.699 119.706 120.400 0.009 0.000 2.538 587 K HA 0.271 4.591 4.320 -0.000 0.000 0.215 587 K C -0.207 176.265 176.600 -0.214 0.000 1.345 587 K CA -0.201 56.014 56.287 -0.120 0.000 0.985 587 K CB 0.558 33.020 32.500 -0.063 0.000 1.116 587 K HN 0.346 nan 8.250 nan 0.000 0.582 588 N N 0.239 118.868 118.700 -0.118 0.000 2.591 588 N HA 0.187 4.927 4.740 -0.000 0.000 0.263 588 N C -1.586 173.905 175.510 -0.032 0.000 1.308 588 N CA -0.645 52.324 53.050 -0.135 0.000 0.837 588 N CB 2.630 41.093 38.487 -0.040 0.000 1.548 588 N HN -0.135 nan 8.380 nan 0.000 0.493 589 V N 2.016 121.893 119.914 -0.062 0.000 2.276 589 V HA 0.129 4.249 4.120 -0.000 0.000 0.249 589 V C -0.590 175.613 176.094 0.182 0.000 1.160 589 V CA 0.060 62.399 62.300 0.064 0.000 1.042 589 V CB -1.167 30.643 31.823 -0.022 0.000 1.224 589 V HN 0.568 nan 8.190 nan 0.000 0.496 590 H N 2.657 121.790 119.070 0.105 0.000 2.744 590 H HA 0.525 5.080 4.556 -0.000 0.000 0.339 590 H C -0.846 174.538 175.328 0.093 0.000 1.004 590 H CA -0.492 55.608 56.048 0.086 0.000 1.257 590 H CB 1.937 31.736 29.762 0.062 0.000 1.552 590 H HN 0.349 nan 8.280 nan 0.000 0.522 591 V N 8.125 127.923 119.914 -0.194 0.000 2.368 591 V HA 0.483 4.603 4.120 -0.000 0.000 0.266 591 V C -2.479 173.567 176.094 -0.079 0.000 1.045 591 V CA -1.532 60.722 62.300 -0.075 0.000 0.899 591 V CB 0.570 32.387 31.823 -0.010 0.000 1.006 591 V HN 0.738 nan 8.190 nan 0.000 0.470 592 P HA 0.551 nan 4.420 nan 0.000 0.282 592 P C -1.683 175.723 177.300 0.177 0.000 1.259 592 P CA -0.228 62.904 63.100 0.053 0.000 0.826 592 P CB 0.968 32.681 31.700 0.021 0.000 1.064 593 Y N -2.876 117.411 120.300 -0.022 0.000 2.522 593 Y HA 0.516 5.065 4.550 -0.000 0.000 0.326 593 Y C -0.708 175.192 175.900 0.000 0.000 1.198 593 Y CA -1.019 57.075 58.100 -0.010 0.000 1.112 593 Y CB -0.035 38.413 38.460 -0.020 0.000 1.342 593 Y HN 0.568 nan 8.280 nan 0.000 0.460 594 T N 0.215 114.793 114.554 0.040 0.000 2.880 594 T HA 0.750 5.100 4.350 -0.000 0.000 0.279 594 T C -0.612 174.190 174.700 0.170 0.000 0.990 594 T CA -0.220 61.877 62.100 -0.006 0.000 0.938 594 T CB 2.265 71.138 68.868 0.009 0.000 1.206 594 T HN 1.048 nan 8.240 nan 0.000 0.573 595 Q N -1.270 118.603 119.800 0.121 0.000 2.776 595 Q HA 0.542 4.882 4.340 -0.000 0.000 0.289 595 Q C -1.615 174.459 176.000 0.122 0.000 0.912 595 Q CA -0.998 54.901 55.803 0.160 0.000 0.789 595 Q CB 1.518 30.422 28.738 0.276 0.000 1.498 595 Q HN 1.136 nan 8.270 nan 0.000 0.408 596 A N 0.990 123.881 122.820 0.118 0.000 2.280 596 A HA 0.685 5.005 4.320 -0.000 0.000 0.268 596 A C -0.260 177.444 177.584 0.200 0.000 1.111 596 A CA -0.058 52.054 52.037 0.125 0.000 0.814 596 A CB 0.548 19.607 19.000 0.097 0.000 1.093 596 A HN 0.666 nan 8.150 nan 0.000 0.498 597 S N -0.350 115.453 115.700 0.170 0.000 2.645 597 S HA 0.330 4.799 4.470 -0.000 0.000 0.266 597 S C 0.544 175.289 174.600 0.241 0.000 1.258 597 S CA -0.289 58.011 58.200 0.166 0.000 0.990 597 S CB 1.041 64.305 63.200 0.106 0.000 0.967 597 S HN 0.762 nan 8.310 nan 0.000 0.556 598 S N 1.011 116.801 115.700 0.151 0.000 2.700 598 S HA 0.272 4.742 4.470 -0.000 0.000 0.321 598 S C 1.595 176.329 174.600 0.223 0.000 1.161 598 S CA -0.410 57.882 58.200 0.152 0.000 1.078 598 S CB -0.845 62.293 63.200 -0.103 0.000 1.302 598 S HN 0.832 nan 8.310 nan 0.000 0.540 599 G N 4.635 113.607 108.800 0.287 0.000 2.606 599 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.223 599 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.223 599 G C 0.985 176.103 174.900 0.364 0.000 1.106 599 G CA 0.948 46.219 45.100 0.285 0.000 0.745 599 G HN 0.695 nan 8.290 nan 0.000 0.597 600 F N 1.214 121.251 119.950 0.145 0.000 2.009 600 F HA 0.199 4.726 4.527 -0.000 0.000 0.293 600 F C 1.681 177.646 175.800 0.275 0.000 1.156 600 F CA 0.451 58.566 58.000 0.192 0.000 1.168 600 F CB -0.923 38.141 39.000 0.106 0.000 0.981 600 F HN 0.198 nan 8.300 nan 0.000 0.475 604 K N 0.978 121.219 120.400 -0.265 0.000 2.001 604 K HA -0.243 4.076 4.320 -0.000 0.000 0.214 604 K C 1.295 177.532 176.600 -0.605 0.000 1.050 604 K CA 2.029 57.933 56.287 -0.639 0.000 0.934 604 K CB -0.677 31.514 32.500 -0.515 0.000 0.718 604 K HN 0.096 nan 8.250 nan 0.000 0.443 605 N N 0.919 119.393 118.700 -0.377 0.000 2.635 605 N HA -0.153 4.587 4.740 -0.000 0.000 0.191 605 N C 0.562 175.885 175.510 -0.311 0.000 1.155 605 N CA 0.871 53.742 53.050 -0.299 0.000 0.927 605 N CB 0.028 38.398 38.487 -0.195 0.000 0.976 605 N HN 0.110 nan 8.380 nan 0.000 0.448 606 N N -1.149 117.285 118.700 -0.444 0.000 2.142 606 N HA 0.048 4.788 4.740 -0.000 0.000 0.233 606 N C -1.242 173.890 175.510 -0.629 0.000 1.335 606 N CA -0.043 52.772 53.050 -0.393 0.000 0.837 606 N CB 0.286 38.640 38.487 -0.222 0.000 1.238 606 N HN 0.145 nan 8.380 nan 0.000 0.501 607 S N -0.830 114.206 115.700 -1.107 0.000 2.560 607 S HA 0.479 4.949 4.470 -0.000 0.000 0.284 607 S C 1.127 175.367 174.600 -0.599 0.000 1.327 607 S CA -0.126 57.253 58.200 -1.369 0.000 1.055 607 S CB 1.051 63.013 63.200 -2.065 0.000 0.868 607 S HN 0.236 nan 8.310 nan 0.000 0.506 608 G N 1.828 110.443 108.800 -0.309 0.000 2.525 608 G HA2 0.313 4.273 3.960 -0.000 0.000 0.276 608 G HA3 0.313 4.273 3.960 -0.000 0.000 0.276 608 G C -0.098 174.872 174.900 0.118 0.000 1.388 608 G CA -0.934 44.153 45.100 -0.022 0.000 1.050 608 G HN 0.702 nan 8.290 nan 0.000 0.520 609 R N 1.173 121.745 120.500 0.120 0.000 2.347 609 R HA 0.201 4.541 4.340 -0.000 0.000 0.304 609 R C -1.899 174.482 176.300 0.135 0.000 1.072 609 R CA -1.416 54.754 56.100 0.116 0.000 0.980 609 R CB 0.717 31.047 30.300 0.050 0.000 0.986 609 R HN 0.328 nan 8.270 nan 0.000 0.448 610 P HA -0.119 nan 4.420 nan 0.000 0.270 610 P C 0.958 178.178 177.300 -0.135 0.000 1.216 610 P CA -0.018 62.916 63.100 -0.276 0.000 0.788 610 P CB 0.749 32.263 31.700 -0.310 0.000 0.883 611 L N 0.613 121.736 121.223 -0.168 0.000 2.141 611 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 611 L C 2.530 179.344 176.870 -0.093 0.000 1.094 611 L CA 1.258 56.042 54.840 -0.095 0.000 0.763 611 L CB -0.530 41.475 42.059 -0.090 0.000 0.908 611 L HN 0.401 nan 8.230 nan 0.000 0.437 612 Q N -0.257 119.488 119.800 -0.093 0.000 2.368 612 Q HA -0.236 4.104 4.340 -0.000 0.000 0.210 612 Q C 0.830 176.798 176.000 -0.054 0.000 0.982 612 Q CA 1.348 57.115 55.803 -0.059 0.000 0.884 612 Q CB -0.245 28.464 28.738 -0.049 0.000 0.933 612 Q HN 0.656 nan 8.270 nan 0.000 0.460 613 E N 0.256 120.420 120.200 -0.060 0.000 2.562 613 E HA 0.031 4.381 4.350 -0.000 0.000 0.214 613 E C 1.066 177.636 176.600 -0.050 0.000 0.979 613 E CA 0.766 57.136 56.400 -0.050 0.000 1.002 613 E CB 0.851 30.525 29.700 -0.043 0.000 1.048 613 E HN 0.464 nan 8.360 nan 0.000 0.488 614 T N -2.539 111.985 114.554 -0.051 0.000 2.975 614 T HA 0.344 4.694 4.350 -0.000 0.000 0.261 614 T C 0.941 175.605 174.700 -0.059 0.000 0.984 614 T CA 0.024 62.096 62.100 -0.047 0.000 0.911 614 T CB 0.358 69.213 68.868 -0.022 0.000 1.127 614 T HN 0.062 nan 8.240 nan 0.000 0.514 615 A N 3.329 126.110 122.820 -0.066 0.000 2.573 615 A HA 0.367 4.687 4.320 -0.000 0.000 0.250 615 A C -1.148 176.412 177.584 -0.039 0.000 1.049 615 A CA -0.730 51.272 52.037 -0.059 0.000 0.767 615 A CB -0.092 18.867 19.000 -0.068 0.000 0.965 615 A HN 0.305 nan 8.150 nan 0.000 0.514 616 P HA 0.029 nan 4.420 nan 0.000 0.239 616 P C 0.019 177.002 177.300 -0.528 0.000 1.184 616 P CA 1.223 64.200 63.100 -0.205 0.000 0.760 616 P CB -0.014 31.644 31.700 -0.070 0.000 0.884 617 F N -2.096 117.806 119.950 -0.081 0.000 2.856 617 F HA 0.371 4.898 4.527 -0.000 0.000 0.333 617 F C 1.318 177.097 175.800 -0.035 0.000 1.200 617 F CA -0.194 57.726 58.000 -0.132 0.000 1.128 617 F CB 0.495 39.316 39.000 -0.299 0.000 1.172 617 F HN -0.081 nan 8.300 nan 0.000 0.511 618 G N 0.695 109.543 108.800 0.080 0.000 2.160 618 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.251 618 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.251 618 G C 0.206 175.161 174.900 0.092 0.000 1.008 618 G CA -0.002 45.138 45.100 0.066 0.000 0.724 618 G HN 0.361 nan 8.290 nan 0.000 0.514 619 c N 0.172 118.837 118.600 0.109 0.000 2.676 619 c HA 0.421 4.991 4.570 -0.000 0.000 0.416 619 c C 1.187 175.308 174.090 0.051 0.000 1.299 619 c CA 0.040 56.429 56.329 0.100 0.000 2.048 619 c CB 0.614 43.184 42.510 0.099 0.000 2.713 619 c HN 0.493 nan 8.230 nan 0.000 0.624 620 K N 2.441 122.876 120.400 0.059 0.000 2.655 620 K HA 0.271 4.591 4.320 -0.000 0.000 0.213 620 K C -0.686 175.946 176.600 0.054 0.000 1.126 620 K CA -0.447 55.865 56.287 0.042 0.000 1.076 620 K CB 0.110 32.635 32.500 0.042 0.000 1.644 620 K HN 0.465 nan 8.250 nan 0.000 0.523 621 I N 2.437 123.035 120.570 0.046 0.000 3.089 621 I HA -0.239 3.931 4.170 -0.000 0.000 0.321 621 I C 0.538 176.709 176.117 0.089 0.000 1.222 621 I CA 0.982 62.336 61.300 0.090 0.000 1.452 621 I CB -0.114 37.917 38.000 0.051 0.000 1.321 621 I HN 0.487 nan 8.210 nan 0.000 0.539 622 A N 6.047 128.938 122.820 0.118 0.000 2.401 622 A HA 0.871 5.191 4.320 -0.000 0.000 0.310 622 A C -1.044 176.582 177.584 0.070 0.000 1.075 622 A CA -0.567 51.516 52.037 0.077 0.000 0.746 622 A CB 1.806 20.844 19.000 0.063 0.000 1.277 622 A HN 0.357 nan 8.150 nan 0.000 0.425 623 V N 2.863 122.805 119.914 0.047 0.000 2.398 623 V HA 0.430 4.550 4.120 -0.000 0.000 0.282 623 V C -0.158 175.950 176.094 0.023 0.000 1.014 623 V CA -0.296 62.024 62.300 0.034 0.000 0.838 623 V CB 0.854 32.701 31.823 0.040 0.000 1.018 623 V HN 1.028 nan 8.190 nan 0.000 0.432 624 N N 3.526 122.235 118.700 0.014 0.000 2.584 624 N HA 0.217 4.957 4.740 -0.000 0.000 0.318 624 N C -2.457 173.052 175.510 -0.002 0.000 0.669 624 N CA 0.202 53.257 53.050 0.008 0.000 1.248 624 N CB -0.023 38.471 38.487 0.011 0.000 1.659 624 N HN 0.456 nan 8.380 nan 0.000 1.460 625 P HA 0.149 nan 4.420 nan 0.000 0.271 625 P C -0.555 176.735 177.300 -0.017 0.000 1.220 625 P CA -0.148 62.947 63.100 -0.008 0.000 0.768 625 P CB 0.563 32.266 31.700 0.005 0.000 0.848 626 L N 5.519 126.707 121.223 -0.060 0.000 2.361 626 L HA 0.293 4.633 4.340 -0.000 0.000 0.278 626 L C 0.410 177.224 176.870 -0.094 0.000 1.113 626 L CA 0.336 55.110 54.840 -0.110 0.000 0.849 626 L CB -0.280 41.632 42.059 -0.246 0.000 1.155 626 L HN 0.659 nan 8.230 nan 0.000 0.452 627 R N 3.944 124.471 120.500 0.045 0.000 2.692 627 R HA 0.721 5.061 4.340 -0.000 0.000 0.269 627 R C -1.672 174.812 176.300 0.307 0.000 1.030 627 R CA -0.924 55.260 56.100 0.139 0.000 0.882 627 R CB 1.372 31.720 30.300 0.080 0.000 1.250 627 R HN 0.486 nan 8.270 nan 0.000 0.465 628 A N 1.982 124.973 122.820 0.285 0.000 2.802 628 A HA 0.433 4.753 4.320 -0.000 0.000 0.344 628 A C -0.336 177.340 177.584 0.154 0.000 1.215 628 A CA -0.688 51.483 52.037 0.223 0.000 0.821 628 A CB 0.673 19.795 19.000 0.204 0.000 1.099 628 A HN 0.394 nan 8.150 nan 0.000 0.479 629 V N 2.569 122.554 119.914 0.118 0.000 2.585 629 V HA 0.077 4.197 4.120 -0.000 0.000 0.296 629 V C 0.434 176.585 176.094 0.095 0.000 1.035 629 V CA 0.439 62.794 62.300 0.091 0.000 1.084 629 V CB 0.134 31.998 31.823 0.069 0.000 0.953 629 V HN 0.940 nan 8.190 nan 0.000 0.483 630 D N 1.700 122.153 120.400 0.089 0.000 2.772 630 D HA -0.171 4.469 4.640 -0.000 0.000 0.233 630 D C 0.484 176.857 176.300 0.121 0.000 1.143 630 D CA 0.582 54.634 54.000 0.088 0.000 0.700 630 D CB -1.260 39.582 40.800 0.071 0.000 1.076 630 D HN 0.651 nan 8.370 nan 0.000 0.430 631 c N 0.148 118.850 118.600 0.170 0.000 2.758 631 c HA 0.333 4.903 4.570 -0.000 0.000 0.371 631 c C 1.308 175.529 174.090 0.219 0.000 1.342 631 c CA -0.109 56.365 56.329 0.243 0.000 2.257 631 c CB 0.817 43.553 42.510 0.377 0.000 2.621 631 c HN 0.373 nan 8.230 nan 0.000 0.730 632 S N 0.793 116.647 115.700 0.255 0.000 2.721 632 S HA 0.619 5.088 4.470 -0.000 0.000 0.264 632 S C -1.106 173.549 174.600 0.092 0.000 1.161 632 S CA -0.436 57.851 58.200 0.145 0.000 1.113 632 S CB 0.484 63.763 63.200 0.132 0.000 1.079 632 S HN 0.737 nan 8.310 nan 0.000 0.479 633 Y N -0.707 119.389 120.300 -0.340 0.000 2.604 633 Y HA 0.701 5.251 4.550 -0.000 0.000 0.331 633 Y C 0.107 175.826 175.900 -0.301 0.000 1.158 633 Y CA -0.542 57.250 58.100 -0.515 0.000 1.056 633 Y CB 0.220 37.918 38.460 -1.271 0.000 1.330 633 Y HN 0.905 nan 8.280 nan 0.000 0.457 634 G N 2.166 110.826 108.800 -0.233 0.000 2.939 634 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.278 634 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.278 634 G C -1.400 173.355 174.900 -0.242 0.000 1.487 634 G CA -0.056 44.910 45.100 -0.222 0.000 0.935 634 G HN 0.968 nan 8.290 nan 0.000 0.553 635 N N -1.112 117.475 118.700 -0.189 0.000 2.384 635 N HA 0.685 5.425 4.740 -0.000 0.000 0.301 635 N C -0.030 175.363 175.510 -0.195 0.000 1.133 635 N CA -0.614 52.323 53.050 -0.190 0.000 0.853 635 N CB 1.437 39.833 38.487 -0.151 0.000 1.241 635 N HN 0.595 nan 8.380 nan 0.000 0.502 636 I N 1.908 122.354 120.570 -0.206 0.000 2.330 636 I HA 0.357 4.527 4.170 -0.000 0.000 0.289 636 I C -2.243 173.773 176.117 -0.168 0.000 1.001 636 I CA -2.118 59.073 61.300 -0.182 0.000 1.193 636 I CB 1.671 39.560 38.000 -0.185 0.000 1.345 636 I HN 0.208 nan 8.210 nan 0.000 0.461 637 P HA 0.331 nan 4.420 nan 0.000 0.271 637 P C -0.746 176.479 177.300 -0.124 0.000 1.216 637 P CA 0.070 63.094 63.100 -0.126 0.000 0.776 637 P CB 0.702 32.343 31.700 -0.099 0.000 0.881 638 I N 1.144 121.636 120.570 -0.130 0.000 2.571 638 I HA 0.213 4.382 4.170 -0.000 0.000 0.289 638 I C -0.487 175.559 176.117 -0.119 0.000 1.115 638 I CA -0.492 60.738 61.300 -0.117 0.000 1.045 638 I CB 2.229 40.159 38.000 -0.118 0.000 1.238 638 I HN 0.108 nan 8.210 nan 0.000 0.424 639 S N 6.674 122.311 115.700 -0.105 0.000 2.437 639 S HA 0.654 5.124 4.470 -0.000 0.000 0.305 639 S C -0.350 174.198 174.600 -0.087 0.000 1.109 639 S CA -0.498 57.637 58.200 -0.108 0.000 1.099 639 S CB 1.107 64.246 63.200 -0.103 0.000 1.004 639 S HN 0.335 nan 8.310 nan 0.000 0.475 640 I N 2.223 122.752 120.570 -0.068 0.000 2.404 640 I HA 0.319 4.489 4.170 -0.000 0.000 0.293 640 I C -0.612 175.475 176.117 -0.049 0.000 0.992 640 I CA -0.668 60.598 61.300 -0.057 0.000 1.149 640 I CB 1.792 39.771 38.000 -0.036 0.000 1.315 640 I HN 0.439 nan 8.210 nan 0.000 0.446 641 D N 6.735 127.103 120.400 -0.054 0.000 2.485 641 D HA 0.420 5.059 4.640 -0.000 0.000 0.221 641 D C -0.526 175.784 176.300 0.016 0.000 1.112 641 D CA -0.312 53.677 54.000 -0.019 0.000 0.911 641 D CB 0.397 41.184 40.800 -0.021 0.000 1.019 641 D HN 0.219 nan 8.370 nan 0.000 0.516 642 I N 4.202 124.837 120.570 0.108 0.000 2.416 642 I HA 0.255 4.425 4.170 -0.000 0.000 0.288 642 I C -1.941 174.398 176.117 0.371 0.000 1.051 642 I CA -2.046 59.362 61.300 0.180 0.000 1.375 642 I CB 0.736 38.911 38.000 0.291 0.000 1.407 642 I HN 0.219 nan 8.210 nan 0.000 0.516 643 P HA 0.033 nan 4.420 nan 0.000 0.262 643 P C 0.370 177.928 177.300 0.430 0.000 1.199 643 P CA 0.091 63.359 63.100 0.280 0.000 0.763 643 P CB 0.362 32.198 31.700 0.226 0.000 0.790 644 N N 3.238 122.139 118.700 0.335 0.000 2.258 644 N HA -0.195 4.545 4.740 -0.000 0.000 0.187 644 N C 1.476 177.217 175.510 0.385 0.000 1.012 644 N CA 1.345 54.591 53.050 0.326 0.000 0.870 644 N CB -0.318 38.203 38.487 0.056 0.000 0.977 644 N HN 0.420 nan 8.380 nan 0.000 0.434 645 A N -0.098 122.867 122.820 0.241 0.000 2.259 645 A HA 0.168 4.487 4.320 -0.000 0.000 0.212 645 A C 1.736 179.387 177.584 0.111 0.000 1.178 645 A CA 1.361 53.491 52.037 0.155 0.000 0.734 645 A CB -0.136 18.927 19.000 0.105 0.000 0.774 645 A HN 0.299 nan 8.150 nan 0.000 0.481 646 A N -1.643 121.241 122.820 0.107 0.000 2.508 646 A HA 0.565 4.885 4.320 -0.000 0.000 0.250 646 A C -0.005 177.479 177.584 -0.167 0.000 1.208 646 A CA -0.458 51.527 52.037 -0.086 0.000 0.960 646 A CB 0.151 19.018 19.000 -0.221 0.000 1.099 646 A HN 0.264 nan 8.150 nan 0.000 0.542 647 F N 0.756 120.722 119.950 0.027 0.000 2.410 647 F HA 0.474 5.001 4.527 -0.000 0.000 0.348 647 F C 0.336 176.218 175.800 0.137 0.000 1.106 647 F CA -0.306 57.715 58.000 0.035 0.000 1.163 647 F CB 0.898 39.823 39.000 -0.125 0.000 1.129 647 F HN -0.004 nan 8.300 nan 0.000 0.516 648 I N 4.389 125.128 120.570 0.282 0.000 2.321 648 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 648 I C -0.454 175.816 176.117 0.256 0.000 0.998 648 I CA -0.948 60.480 61.300 0.214 0.000 1.227 648 I CB 1.247 39.304 38.000 0.094 0.000 1.368 648 I HN 0.549 nan 8.210 nan 0.000 0.466 649 R N 3.696 124.272 120.500 0.126 0.000 2.198 649 R HA 0.349 4.689 4.340 -0.000 0.000 0.339 649 R C 0.250 176.486 176.300 -0.107 0.000 1.020 649 R CA -0.648 55.360 56.100 -0.153 0.000 0.864 649 R CB 0.127 30.053 30.300 -0.623 0.000 1.105 649 R HN 0.572 nan 8.270 nan 0.000 0.463 650 T N 1.357 115.870 114.554 -0.068 0.000 3.390 650 T HA -0.215 4.134 4.350 -0.000 0.000 0.385 650 T C 0.544 175.221 174.700 -0.038 0.000 0.768 650 T CA 1.692 63.764 62.100 -0.047 0.000 1.948 650 T CB -0.931 67.898 68.868 -0.065 0.000 1.746 650 T HN 0.731 nan 8.240 nan 0.000 0.630 651 S N -0.390 115.298 115.700 -0.021 0.000 2.593 651 S HA 0.164 4.634 4.470 -0.000 0.000 0.236 651 S C 0.198 174.796 174.600 -0.003 0.000 0.991 651 S CA -0.483 57.708 58.200 -0.015 0.000 0.963 651 S CB 0.347 63.540 63.200 -0.012 0.000 0.865 651 S HN 0.440 nan 8.310 nan 0.000 0.488 652 D N 1.869 122.269 120.400 -0.000 0.000 2.338 652 D HA 0.404 5.044 4.640 -0.000 0.000 0.255 652 D C 0.991 177.292 176.300 0.003 0.000 1.237 652 D CA -0.008 53.993 54.000 0.003 0.000 0.883 652 D CB 1.303 42.104 40.800 0.002 0.000 1.087 652 D HN 0.241 nan 8.370 nan 0.000 0.485 653 A N 6.244 129.067 122.820 0.006 0.000 1.877 653 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 653 A C -1.219 176.372 177.584 0.012 0.000 1.186 653 A CA 0.423 52.464 52.037 0.007 0.000 0.620 653 A CB -1.338 17.667 19.000 0.008 0.000 0.822 653 A HN 0.495 nan 8.150 nan 0.000 0.443 654 P HA 0.043 nan 4.420 nan 0.000 0.260 654 P C -0.439 176.873 177.300 0.020 0.000 1.185 654 P CA 0.325 63.441 63.100 0.027 0.000 0.763 654 P CB 0.265 31.987 31.700 0.038 0.000 0.776 655 L N 4.936 126.172 121.223 0.022 0.000 2.416 655 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 655 L C 0.330 177.219 176.870 0.031 0.000 1.161 655 L CA -0.135 54.716 54.840 0.019 0.000 0.845 655 L CB 1.209 43.279 42.059 0.018 0.000 1.119 655 L HN 0.163 nan 8.230 nan 0.000 0.464 656 V N 3.263 123.188 119.914 0.018 0.000 2.495 656 V HA 0.656 4.776 4.120 -0.000 0.000 0.298 656 V C -0.043 176.068 176.094 0.028 0.000 1.031 656 V CA -0.521 61.792 62.300 0.021 0.000 0.871 656 V CB 1.850 33.650 31.823 -0.039 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 0.063 0.000 2.550 657 S HA 0.648 5.118 4.470 -0.000 0.000 0.270 657 S C -0.131 174.518 174.600 0.081 0.000 1.145 657 S CA -0.002 58.231 58.200 0.054 0.000 0.852 657 S CB 1.825 65.051 63.200 0.043 0.000 1.119 657 S HN 2.260 nan 8.310 nan 0.000 0.465 658 T N -1.451 113.136 114.554 0.056 0.000 3.860 658 T HA -0.146 4.204 4.350 -0.000 0.000 0.378 658 T C -0.116 174.637 174.700 0.088 0.000 0.761 658 T CA 0.282 62.416 62.100 0.057 0.000 2.004 658 T CB -2.925 65.973 68.868 0.050 0.000 1.778 658 T HN 1.491 nan 8.240 nan 0.000 0.801 659 V N 1.642 121.600 119.914 0.073 0.000 2.607 659 V HA 0.686 4.806 4.120 -0.000 0.000 0.289 659 V C 0.730 176.856 176.094 0.053 0.000 1.053 659 V CA -0.369 61.984 62.300 0.088 0.000 0.996 659 V CB 1.645 33.488 31.823 0.034 0.000 0.995 659 V HN 0.719 nan 8.190 nan 0.000 0.476 660 K N 1.803 122.241 120.400 0.062 0.000 2.482 660 K HA 0.661 4.981 4.320 -0.000 0.000 0.257 660 K C -1.586 175.027 176.600 0.022 0.000 0.969 660 K CA -0.548 55.754 56.287 0.026 0.000 0.842 660 K CB 2.358 34.870 32.500 0.020 0.000 1.359 660 K HN 0.697 nan 8.250 nan 0.000 0.441 661 c N 1.513 120.106 118.600 -0.012 0.000 2.369 661 c HA 0.464 5.034 4.570 -0.000 0.000 0.322 661 c C -1.113 172.961 174.090 -0.026 0.000 1.258 661 c CA -0.215 56.099 56.329 -0.025 0.000 1.487 661 c CB 0.205 42.666 42.510 -0.081 0.000 2.165 661 c HN 0.757 nan 8.230 nan 0.000 0.483 662 E N 3.570 123.773 120.200 0.005 0.000 2.234 662 E HA 0.485 4.835 4.350 -0.000 0.000 0.266 662 E C -1.302 175.330 176.600 0.054 0.000 0.877 662 E CA -0.557 55.854 56.400 0.017 0.000 0.758 662 E CB 2.275 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 3.099 123.056 119.914 0.071 0.000 2.350 663 V HA 0.035 4.155 4.120 -0.000 0.000 0.276 663 V C 1.152 177.324 176.094 0.129 0.000 1.028 663 V CA 0.004 62.396 62.300 0.154 0.000 0.860 663 V CB 1.107 33.057 31.823 0.213 0.000 0.990 663 V HN 0.880 nan 8.190 nan 0.000 0.453 664 S N 4.101 119.877 115.700 0.127 0.000 2.317 664 S HA 0.126 4.595 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 0.246 58.499 58.200 0.088 0.000 0.970 664 S CB 0.061 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 -1.034 119.223 120.200 0.094 0.000 2.378 665 E HA 0.673 5.023 4.350 -0.000 0.000 0.265 665 E C -1.678 174.965 176.600 0.072 0.000 0.932 665 E CA -0.932 55.512 56.400 0.074 0.000 0.795 665 E CB 2.308 32.035 29.700 0.046 0.000 1.296 665 E HN 0.432 nan 8.360 nan 0.000 0.438 666 c N 0.978 119.614 118.600 0.061 0.000 3.181 666 c HA 0.579 5.149 4.570 -0.000 0.000 0.362 666 c C -1.315 172.806 174.090 0.052 0.000 1.125 666 c CA -0.216 56.139 56.329 0.044 0.000 1.265 666 c CB 0.888 43.504 42.510 0.176 0.000 1.632 666 c HN 0.860 nan 8.230 nan 0.000 0.525 667 T N 1.818 116.376 114.554 0.006 0.000 2.876 667 T HA 0.676 5.026 4.350 -0.000 0.000 0.289 667 T C -0.848 173.873 174.700 0.035 0.000 1.014 667 T CA -0.473 61.633 62.100 0.010 0.000 0.986 667 T CB 1.245 70.062 68.868 -0.085 0.000 1.021 667 T HN 1.184 nan 8.240 nan 0.000 0.458 668 Y N 1.821 122.133 120.300 0.020 0.000 2.336 668 Y HA 0.487 5.037 4.550 -0.000 0.000 0.335 668 Y C 0.830 176.735 175.900 0.009 0.000 1.046 668 Y CA -0.251 57.867 58.100 0.030 0.000 1.198 668 Y CB 0.532 39.021 38.460 0.049 0.000 1.182 668 Y HN 1.350 nan 8.280 nan 0.000 0.502 669 S N 0.963 116.685 115.700 0.036 0.000 3.706 669 S HA -0.164 4.306 4.470 -0.000 0.000 0.363 669 S C -0.196 174.311 174.600 -0.155 0.000 0.999 669 S CA 0.146 58.321 58.200 -0.041 0.000 1.143 669 S CB -2.242 60.983 63.200 0.041 0.000 0.902 669 S HN 1.802 nan 8.310 nan 0.000 0.476 670 A N 0.235 122.948 122.820 -0.178 0.000 2.312 670 A HA 0.805 5.125 4.320 -0.000 0.000 0.310 670 A C 0.914 178.341 177.584 -0.263 0.000 1.139 670 A CA -0.081 51.833 52.037 -0.205 0.000 0.886 670 A CB 0.370 19.258 19.000 -0.188 0.000 1.350 670 A HN 0.266 nan 8.150 nan 0.000 0.479 671 D N -0.734 119.497 120.400 -0.281 0.000 2.077 671 D HA -0.008 4.632 4.640 -0.000 0.000 0.193 671 D C -0.388 175.424 176.300 -0.813 0.000 0.989 671 D CA 2.247 55.961 54.000 -0.476 0.000 0.831 671 D CB -0.137 40.501 40.800 -0.270 0.000 0.979 671 D HN 0.347 nan 8.370 nan 0.000 0.449 672 F N -1.250 118.628 119.950 -0.120 0.000 2.766 672 F HA 0.384 4.911 4.527 -0.000 0.000 0.355 672 F C 1.057 176.752 175.800 -0.175 0.000 1.434 672 F CA -0.576 57.340 58.000 -0.140 0.000 1.139 672 F CB 1.382 40.308 39.000 -0.123 0.000 1.816 672 F HN -0.096 nan 8.300 nan 0.000 0.600 673 G N 0.053 108.796 108.800 -0.094 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 0.899 175.655 174.900 -0.240 0.000 1.166 673 G CA 0.347 45.373 45.100 -0.123 0.000 0.767 673 G HN 0.634 nan 8.290 nan 0.000 0.546 677 T N -0.623 113.982 114.554 0.084 0.000 2.893 677 T HA 0.763 5.113 4.350 -0.000 0.000 0.291 677 T C -0.827 173.915 174.700 0.070 0.000 1.028 677 T CA -0.634 61.504 62.100 0.062 0.000 0.995 677 T CB 1.256 70.152 68.868 0.046 0.000 1.051 677 T HN 0.781 nan 8.240 nan 0.000 0.470 678 L N 2.357 123.639 121.223 0.099 0.000 2.345 678 L HA 0.423 4.763 4.340 -0.000 0.000 0.274 678 L C 0.195 177.207 176.870 0.236 0.000 0.999 678 L CA -0.767 54.156 54.840 0.138 0.000 0.849 678 L CB 1.714 43.845 42.059 0.120 0.000 1.220 678 L HN 0.661 nan 8.230 nan 0.000 0.422 679 Q N 2.976 122.866 119.800 0.151 0.000 2.260 679 Q HA 0.586 4.926 4.340 -0.000 0.000 0.242 679 Q C -1.206 174.911 176.000 0.194 0.000 0.932 679 Q CA -0.291 55.559 55.803 0.078 0.000 0.891 679 Q CB 1.871 30.610 28.738 0.002 0.000 1.222 679 Q HN 0.538 nan 8.270 nan 0.000 0.453 680 Y N -3.142 117.160 120.300 0.002 0.000 2.965 680 Y HA 0.637 5.187 4.550 -0.000 0.000 0.341 680 Y C -1.798 174.104 175.900 0.003 0.000 1.443 680 Y CA -1.294 56.808 58.100 0.002 0.000 1.101 680 Y CB 0.681 39.144 38.460 0.005 0.000 1.969 680 Y HN 0.252 nan 8.280 nan 0.000 0.419 681 V N 2.122 122.181 119.914 0.242 0.000 2.612 681 V HA 0.653 4.773 4.120 -0.000 0.000 0.301 681 V C -0.960 175.282 176.094 0.246 0.000 1.059 681 V CA -0.180 62.192 62.300 0.121 0.000 0.886 681 V CB 1.549 33.403 31.823 0.051 0.000 1.007 681 V HN 1.039 nan 8.190 nan 0.000 0.426 682 S N 1.365 117.201 115.700 0.225 0.000 2.513 682 S HA 0.540 5.009 4.470 -0.000 0.000 0.299 682 S C 0.156 174.815 174.600 0.098 0.000 1.087 682 S CA -0.718 57.595 58.200 0.188 0.000 1.012 682 S CB 2.186 65.544 63.200 0.264 0.000 1.044 682 S HN 0.541 nan 8.310 nan 0.000 0.485 683 D N 1.427 121.868 120.400 0.068 0.000 2.097 683 D HA 0.084 4.724 4.640 -0.000 0.000 0.195 683 D C 1.054 177.379 176.300 0.041 0.000 0.989 683 D CA 1.496 55.522 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 0.580 nan 8.370 nan 0.000 0.456 684 R N -0.898 119.631 120.500 0.047 0.000 3.270 684 R HA 0.467 4.806 4.340 -0.000 0.000 0.252 684 R C -0.435 175.899 176.300 0.056 0.000 1.331 684 R CA -0.759 55.366 56.100 0.042 0.000 1.028 684 R CB 1.167 31.484 30.300 0.029 0.000 1.450 684 R HN -0.136 nan 8.270 nan 0.000 0.471 685 E N -0.518 119.710 120.200 0.048 0.000 2.222 685 E HA 0.563 4.913 4.350 -0.000 0.000 0.272 685 E C -0.491 176.139 176.600 0.050 0.000 0.982 685 E CA -0.582 55.852 56.400 0.058 0.000 0.842 685 E CB 2.013 31.744 29.700 0.051 0.000 1.144 685 E HN 0.656 nan 8.360 nan 0.000 0.397 686 G N 0.855 109.690 108.800 0.059 0.000 2.500 686 G HA2 0.258 4.217 3.960 -0.000 0.000 0.299 686 G HA3 0.258 4.217 3.960 -0.000 0.000 0.299 686 G C -1.613 173.319 174.900 0.054 0.000 1.242 686 G CA -0.644 44.484 45.100 0.046 0.000 0.859 686 G HN 0.395 nan 8.290 nan 0.000 0.481 687 Q N -0.559 119.249 119.800 0.014 0.000 2.294 687 Q HA 0.486 4.825 4.340 -0.000 0.000 0.264 687 Q C -1.257 174.704 176.000 -0.065 0.000 0.992 687 Q CA -0.522 55.260 55.803 -0.035 0.000 0.747 687 Q CB 2.121 30.835 28.738 -0.039 0.000 1.262 687 Q HN 0.548 nan 8.270 nan 0.000 0.452 688 c N 3.430 121.977 118.600 -0.088 0.000 2.370 688 c HA 0.629 5.199 4.570 -0.000 0.000 0.354 688 c C -2.200 171.838 174.090 -0.087 0.000 1.218 688 c CA -1.347 54.933 56.329 -0.083 0.000 2.154 688 c CB 0.623 43.071 42.510 -0.103 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 -1.016 176.270 177.300 -0.023 0.000 1.356 689 P CA -0.133 62.936 63.100 -0.052 0.000 0.823 689 P CB 0.770 32.443 31.700 -0.046 0.000 0.934 690 V N 4.837 124.740 119.914 -0.019 0.000 2.439 690 V HA 0.517 4.637 4.120 -0.000 0.000 0.282 690 V C -0.063 176.064 176.094 0.056 0.000 1.039 690 V CA -0.082 62.222 62.300 0.007 0.000 0.913 690 V CB 0.686 32.504 31.823 -0.009 0.000 0.983 690 V HN 0.707 nan 8.190 nan 0.000 0.460 691 H N 2.130 121.143 119.070 -0.096 0.000 3.064 691 H HA 0.558 5.114 4.556 -0.000 0.000 0.352 691 H C -0.561 174.636 175.328 -0.218 0.000 1.260 691 H CA -0.294 55.652 56.048 -0.170 0.000 1.160 691 H CB 1.955 31.581 29.762 -0.228 0.000 1.879 691 H HN 0.696 nan 8.280 nan 0.000 0.544 692 S N 2.696 117.819 115.700 -0.962 0.000 2.462 692 S HA 0.238 4.707 4.470 -0.000 0.000 0.294 692 S C -0.202 173.936 174.600 -0.770 0.000 1.144 692 S CA -0.808 57.017 58.200 -0.625 0.000 1.088 692 S CB 0.674 63.635 63.200 -0.399 0.000 1.009 692 S HN 0.753 nan 8.310 nan 0.000 0.484 693 H N 2.378 121.330 119.070 -0.197 0.000 2.640 693 H HA 0.352 4.908 4.556 -0.000 0.000 0.312 693 H C -0.029 175.286 175.328 -0.023 0.000 1.110 693 H CA 0.018 56.024 56.048 -0.070 0.000 1.098 693 H CB -0.460 29.308 29.762 0.011 0.000 1.485 693 H HN 0.824 nan 8.280 nan 0.000 0.526 694 S N -0.799 114.908 115.700 0.012 0.000 2.584 694 S HA 0.073 4.543 4.470 -0.000 0.000 0.280 694 S C 0.843 175.437 174.600 -0.010 0.000 1.162 694 S CA -0.627 57.599 58.200 0.044 0.000 0.951 694 S CB 1.505 64.764 63.200 0.098 0.000 1.108 694 S HN 0.188 nan 8.310 nan 0.000 0.464 695 S N 0.986 116.693 115.700 0.013 0.000 2.547 695 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 695 S C 1.781 176.376 174.600 -0.008 0.000 0.980 695 S CA 1.127 59.328 58.200 0.002 0.000 0.941 695 S CB -1.230 61.994 63.200 0.041 0.000 0.763 695 S HN 1.256 nan 8.310 nan 0.000 0.532 696 T N -1.098 113.463 114.554 0.012 0.000 3.077 696 T HA 0.439 4.789 4.350 -0.000 0.000 0.269 696 T C 0.510 175.182 174.700 -0.047 0.000 1.146 696 T CA 0.575 62.691 62.100 0.026 0.000 1.091 696 T CB -0.472 68.452 68.868 0.093 0.000 0.892 696 T HN 0.849 nan 8.240 nan 0.000 0.533 697 A N 0.485 123.206 122.820 -0.165 0.000 2.605 697 A HA 0.657 4.976 4.320 -0.000 0.000 0.294 697 A C -0.332 177.076 177.584 -0.293 0.000 1.062 697 A CA -0.593 51.243 52.037 -0.334 0.000 0.682 697 A CB 1.235 19.657 19.000 -0.963 0.000 1.278 697 A HN 0.659 nan 8.150 nan 0.000 0.410 698 T N -0.437 114.009 114.554 -0.181 0.000 2.912 698 T HA 0.706 5.056 4.350 -0.000 0.000 0.299 698 T C -0.655 174.062 174.700 0.028 0.000 1.052 698 T CA -0.626 61.413 62.100 -0.102 0.000 0.996 698 T CB 0.873 69.723 68.868 -0.029 0.000 1.070 698 T HN 0.656 nan 8.240 nan 0.000 0.465 699 L N 2.574 123.812 121.223 0.025 0.000 2.375 699 L HA 0.444 4.783 4.340 -0.000 0.000 0.271 699 L C 2.069 179.017 176.870 0.129 0.000 1.107 699 L CA -0.803 54.101 54.840 0.107 0.000 0.806 699 L CB 1.193 43.277 42.059 0.042 0.000 1.146 699 L HN 0.872 nan 8.230 nan 0.000 0.447 700 Q N 1.180 121.021 119.800 0.067 0.000 2.172 700 Q HA -0.008 4.332 4.340 -0.000 0.000 0.200 700 Q C -0.167 175.737 176.000 -0.160 0.000 0.964 700 Q CA 1.100 56.751 55.803 -0.253 0.000 0.855 700 Q CB 0.464 28.709 28.738 -0.821 0.000 0.918 700 Q HN 0.638 nan 8.270 nan 0.000 0.444 701 E N -0.917 119.245 120.200 -0.064 0.000 2.244 701 E HA 0.165 4.515 4.350 -0.000 0.000 0.266 701 E C -0.157 176.432 176.600 -0.019 0.000 0.914 701 E CA 0.078 56.450 56.400 -0.046 0.000 0.794 701 E CB 1.960 31.639 29.700 -0.035 0.000 1.210 701 E HN 0.162 nan 8.360 nan 0.000 0.414 702 S N -0.548 115.135 115.700 -0.030 0.000 2.520 702 S HA 0.050 4.520 4.470 -0.000 0.000 0.219 702 S C 0.691 175.260 174.600 -0.052 0.000 1.028 702 S CA -0.236 57.949 58.200 -0.026 0.000 0.921 702 S CB 0.166 63.347 63.200 -0.032 0.000 0.844 702 S HN 0.543 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 0.805 5.155 4.350 -0.000 0.000 0.290 703 T C -0.925 173.677 174.700 -0.162 0.000 1.034 703 T CA -0.770 61.254 62.100 -0.127 0.000 1.010 703 T CB 1.980 70.751 68.868 -0.163 0.000 1.068 703 T HN 0.058 nan 8.240 nan 0.000 0.481 704 V N 1.786 121.578 119.914 -0.203 0.000 2.851 704 V HA 0.339 4.458 4.120 -0.000 0.000 0.307 704 V C -0.857 175.102 176.094 -0.226 0.000 1.129 704 V CA -1.028 61.160 62.300 -0.187 0.000 0.932 704 V CB 2.107 33.885 31.823 -0.076 0.000 1.024 704 V HN 0.988 nan 8.190 nan 0.000 0.426 705 H N 3.172 122.247 119.070 0.007 0.000 3.109 705 H HA 0.247 4.803 4.556 -0.000 0.000 0.266 705 H C -0.129 175.221 175.328 0.036 0.000 1.334 705 H CA -0.095 55.962 56.048 0.015 0.000 1.456 705 H CB 0.939 30.711 29.762 0.016 0.000 1.587 705 H HN 0.331 nan 8.280 nan 0.000 0.500 706 V N 6.139 126.114 119.914 0.102 0.000 2.485 706 V HA -0.016 4.103 4.120 -0.000 0.000 0.287 706 V C 0.940 177.134 176.094 0.168 0.000 1.022 706 V CA 0.205 62.578 62.300 0.122 0.000 1.067 706 V CB 0.115 31.944 31.823 0.010 0.000 0.967 706 V HN 0.498 nan 8.190 nan 0.000 0.479 707 L N 3.904 125.255 121.223 0.213 0.000 2.421 707 L HA 0.484 4.824 4.340 -0.000 0.000 0.267 707 L C 1.266 178.224 176.870 0.148 0.000 1.036 707 L CA -0.713 54.212 54.840 0.142 0.000 0.829 707 L CB 0.809 42.923 42.059 0.091 0.000 1.437 707 L HN 0.513 nan 8.230 nan 0.000 0.488 708 E N -0.401 119.839 120.200 0.067 0.000 2.371 708 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 708 E C 1.515 178.080 176.600 -0.058 0.000 1.012 708 E CA 0.345 56.762 56.400 0.029 0.000 0.860 708 E CB 0.202 29.913 29.700 0.018 0.000 0.811 708 E HN 0.416 nan 8.360 nan 0.000 0.502 709 K N 0.210 120.572 120.400 -0.063 0.000 2.089 709 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 709 K C 1.254 177.698 176.600 -0.260 0.000 1.048 709 K CA 1.133 57.353 56.287 -0.113 0.000 0.926 709 K CB -0.230 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 0.525 109.013 108.800 -0.519 0.000 2.203 710 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.231 710 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.231 710 G C -0.336 174.131 174.900 -0.722 0.000 1.058 710 G CA -0.014 44.388 45.100 -1.165 0.000 0.781 710 G HN 0.548 nan 8.290 nan 0.000 0.496 711 A N -0.684 121.948 122.820 -0.315 0.000 2.442 711 A HA 0.790 5.109 4.320 -0.000 0.000 0.284 711 A C -0.664 177.007 177.584 0.145 0.000 1.058 711 A CA -0.298 51.724 52.037 -0.024 0.000 0.738 711 A CB 2.144 21.121 19.000 -0.039 0.000 1.242 711 A HN 1.328 nan 8.150 nan 0.000 0.421 712 V N 2.882 122.923 119.914 0.212 0.000 2.443 712 V HA 0.595 4.715 4.120 -0.000 0.000 0.293 712 V C 0.241 176.382 176.094 0.079 0.000 1.021 712 V CA -0.164 62.233 62.300 0.162 0.000 0.848 712 V CB 2.062 33.990 31.823 0.175 0.000 0.998 712 V HN 1.048 nan 8.190 nan 0.000 0.424 713 T N 2.684 117.258 114.554 0.033 0.000 2.767 713 T HA 0.809 5.159 4.350 -0.000 0.000 0.288 713 T C -0.603 174.042 174.700 -0.092 0.000 0.963 713 T CA -0.597 61.484 62.100 -0.031 0.000 1.019 713 T CB 1.487 70.322 68.868 -0.055 0.000 0.923 713 T HN 0.319 nan 8.240 nan 0.000 0.468 714 V N 3.460 123.306 119.914 -0.113 0.000 2.876 714 V HA 0.443 4.563 4.120 -0.000 0.000 0.312 714 V C -0.556 175.453 176.094 -0.142 0.000 1.085 714 V CA -1.085 61.156 62.300 -0.099 0.000 0.945 714 V CB 2.067 33.913 31.823 0.037 0.000 1.017 714 V HN 0.928 nan 8.190 nan 0.000 0.428 715 H N 3.756 122.880 119.070 0.089 0.000 2.463 715 H HA 0.670 5.226 4.556 -0.000 0.000 0.332 715 H C -0.768 174.662 175.328 0.169 0.000 1.127 715 H CA -0.121 55.960 56.048 0.056 0.000 1.238 715 H CB 1.904 31.618 29.762 -0.080 0.000 1.478 715 H HN 0.649 nan 8.280 nan 0.000 0.499 716 F N -0.491 119.583 119.950 0.207 0.000 2.692 716 F HA 0.639 5.166 4.527 -0.000 0.000 0.320 716 F C -0.806 175.115 175.800 0.202 0.000 1.123 716 F CA -1.175 56.921 58.000 0.160 0.000 0.961 716 F CB 1.540 40.524 39.000 -0.026 0.000 1.383 716 F HN 0.388 nan 8.300 nan 0.000 0.483 717 S N 0.018 115.876 115.700 0.265 0.000 2.541 717 S HA 0.874 5.344 4.470 -0.000 0.000 0.280 717 S C -0.818 173.815 174.600 0.056 0.000 1.112 717 S CA 0.065 58.276 58.200 0.018 0.000 0.925 717 S CB 1.600 64.653 63.200 -0.244 0.000 1.067 717 S HN 1.337 nan 8.310 nan 0.000 0.479 718 T N -2.001 112.575 114.554 0.036 0.000 2.618 718 T HA 0.865 5.215 4.350 -0.000 0.000 0.286 718 T C -0.374 174.352 174.700 0.043 0.000 1.027 718 T CA -0.471 61.664 62.100 0.058 0.000 1.063 718 T CB 1.173 70.134 68.868 0.156 0.000 1.440 718 T HN 1.857 nan 8.240 nan 0.000 0.505 719 A N 0.804 123.673 122.820 0.081 0.000 3.214 719 A HA 0.680 5.000 4.320 -0.000 0.000 0.203 719 A C 0.021 177.684 177.584 0.132 0.000 0.960 719 A CA 0.009 52.108 52.037 0.103 0.000 1.113 719 A CB -0.468 18.567 19.000 0.058 0.000 1.280 719 A HN 1.600 nan 8.150 nan 0.000 0.573 720 S N -1.087 114.706 115.700 0.154 0.000 2.607 720 S HA 0.824 5.293 4.470 -0.000 0.000 0.273 720 S C -2.514 172.159 174.600 0.122 0.000 1.148 720 S CA -0.909 57.364 58.200 0.122 0.000 0.833 720 S CB 1.783 65.048 63.200 0.109 0.000 1.130 720 S HN -0.027 nan 8.310 nan 0.000 0.470 721 P HA 0.157 nan 4.420 nan 0.000 0.214 721 P C -0.344 176.997 177.300 0.069 0.000 1.163 721 P CA 0.944 64.059 63.100 0.025 0.000 0.881 721 P CB 0.002 31.682 31.700 -0.034 0.000 0.775 722 Q N -0.013 119.824 119.800 0.061 0.000 2.523 722 Q HA 0.625 4.965 4.340 -0.000 0.000 0.251 722 Q C -0.815 175.234 176.000 0.081 0.000 1.033 722 Q CA -0.603 55.240 55.803 0.067 0.000 0.746 722 Q CB 1.560 30.319 28.738 0.036 0.000 1.189 722 Q HN 0.103 nan 8.270 nan 0.000 0.508 723 A N 2.594 125.493 122.820 0.131 0.000 2.286 723 A HA 0.575 4.895 4.320 -0.000 0.000 0.286 723 A C -0.222 177.427 177.584 0.109 0.000 1.097 723 A CA -0.517 51.622 52.037 0.170 0.000 0.821 723 A CB 0.645 19.821 19.000 0.293 0.000 1.076 723 A HN 0.574 nan 8.150 nan 0.000 0.490 724 N N 0.623 119.388 118.700 0.109 0.000 2.540 724 N HA 0.564 5.304 4.740 -0.000 0.000 0.275 724 N C -1.671 173.877 175.510 0.062 0.000 1.053 724 N CA -0.072 52.967 53.050 -0.019 0.000 0.876 724 N CB 1.170 39.646 38.487 -0.018 0.000 1.284 724 N HN 0.545 nan 8.380 nan 0.000 0.518 725 F N 0.347 120.258 119.950 -0.064 0.000 2.576 725 F HA 0.683 5.210 4.527 -0.000 0.000 0.313 725 F C -0.475 175.282 175.800 -0.072 0.000 1.078 725 F CA -1.159 56.797 58.000 -0.074 0.000 0.921 725 F CB 1.153 40.086 39.000 -0.113 0.000 1.232 725 F HN 0.064 nan 8.300 nan 0.000 0.459 726 I N 4.013 124.663 120.570 0.133 0.000 2.287 726 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 726 I C -0.479 175.732 176.117 0.156 0.000 1.069 726 I CA -0.826 60.523 61.300 0.081 0.000 1.237 726 I CB 1.008 39.058 38.000 0.084 0.000 1.418 726 I HN 0.430 nan 8.210 nan 0.000 0.481 727 V N 5.297 125.280 119.914 0.115 0.000 2.732 727 V HA 0.294 4.414 4.120 -0.000 0.000 0.297 727 V C 0.443 176.600 176.094 0.105 0.000 1.060 727 V CA -0.208 62.154 62.300 0.104 0.000 1.038 727 V CB 1.743 33.621 31.823 0.093 0.000 1.003 727 V HN 0.859 nan 8.190 nan 0.000 0.481 728 S N 5.095 120.858 115.700 0.105 0.000 2.707 728 S HA 0.704 5.173 4.470 -0.000 0.000 0.303 728 S C -0.962 173.675 174.600 0.062 0.000 1.132 728 S CA -0.778 57.502 58.200 0.134 0.000 1.046 728 S CB 0.910 64.312 63.200 0.338 0.000 1.004 728 S HN 0.448 nan 8.310 nan 0.000 0.483 729 L N 1.985 123.214 121.223 0.011 0.000 2.454 729 L HA 0.395 4.735 4.340 -0.000 0.000 0.256 729 L C 1.539 178.393 176.870 -0.026 0.000 1.136 729 L CA -1.127 53.687 54.840 -0.042 0.000 0.804 729 L CB 0.299 42.281 42.059 -0.127 0.000 1.181 729 L HN 0.936 nan 8.230 nan 0.000 0.469 730 c N 1.244 119.814 118.600 -0.051 0.000 2.119 730 c HA -0.339 4.231 4.570 -0.000 0.000 0.221 730 c C 2.110 176.203 174.090 0.004 0.000 1.056 730 c CA 1.710 58.021 56.329 -0.029 0.000 1.803 730 c CB -1.428 41.051 42.510 -0.050 0.000 1.371 730 c HN 1.105 nan 8.230 nan 0.000 0.341 731 G N -0.212 108.586 108.800 -0.004 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 0.351 175.256 174.900 0.010 0.000 1.099 731 G CA 0.123 45.230 45.100 0.012 0.000 0.776 731 G HN 0.500 nan 8.290 nan 0.000 0.532 732 K N 0.955 121.352 120.400 -0.004 0.000 2.107 732 K HA 0.533 4.852 4.320 -0.000 0.000 0.251 732 K C -0.283 176.323 176.600 0.011 0.000 1.012 732 K CA 0.085 56.369 56.287 -0.005 0.000 0.920 732 K CB 1.256 33.745 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 2.469 733 K HA 0.415 4.735 4.320 -0.000 0.000 0.254 733 K C -0.280 176.320 176.600 -0.001 0.000 0.939 733 K CA -0.647 55.649 56.287 0.015 0.000 0.812 733 K CB 2.126 34.621 32.500 -0.009 0.000 1.301 733 K HN 0.853 nan 8.250 nan 0.000 0.433 734 T N -2.611 111.942 114.554 -0.002 0.000 2.590 734 T HA 0.596 4.946 4.350 -0.000 0.000 0.282 734 T C -0.676 173.988 174.700 -0.060 0.000 0.989 734 T CA -0.728 61.355 62.100 -0.028 0.000 1.091 734 T CB 1.540 70.391 68.868 -0.029 0.000 1.460 734 T HN 0.608 nan 8.240 nan 0.000 0.499 735 T N -1.411 113.081 114.554 -0.104 0.000 2.933 735 T HA 0.699 5.048 4.350 -0.000 0.000 0.305 735 T C -0.602 173.937 174.700 -0.267 0.000 1.092 735 T CA -0.782 61.208 62.100 -0.184 0.000 1.008 735 T CB 0.617 69.401 68.868 -0.140 0.000 1.102 735 T HN 1.002 nan 8.240 nan 0.000 0.469 736 c N 2.345 120.642 118.600 -0.505 0.000 2.719 736 c HA 0.947 5.517 4.570 -0.000 0.000 0.327 736 c C -0.288 173.491 174.090 -0.519 0.000 1.238 736 c CA -0.705 55.294 56.329 -0.550 0.000 1.727 736 c CB 1.373 43.406 42.510 -0.795 0.000 2.256 736 c HN 1.025 nan 8.230 nan 0.000 0.489 737 N N -0.042 118.484 118.700 -0.292 0.000 2.504 737 N HA 0.802 5.542 4.740 -0.000 0.000 0.268 737 N C -1.167 174.326 175.510 -0.030 0.000 1.184 737 N CA 0.048 53.005 53.050 -0.154 0.000 0.875 737 N CB 2.135 40.557 38.487 -0.108 0.000 1.630 737 N HN 1.194 nan 8.380 nan 0.000 0.486 738 A N 0.709 123.550 122.820 0.036 0.000 2.489 738 A HA 0.527 4.847 4.320 -0.000 0.000 0.293 738 A C -1.809 175.839 177.584 0.106 0.000 1.004 738 A CA -0.692 51.399 52.037 0.091 0.000 0.626 738 A CB 0.802 19.899 19.000 0.161 0.000 1.345 738 A HN 0.517 nan 8.150 nan 0.000 0.447 739 E N -0.202 120.057 120.200 0.100 0.000 2.183 739 E HA 0.607 4.957 4.350 -0.000 0.000 0.271 739 E C -0.828 175.843 176.600 0.118 0.000 0.919 739 E CA -0.576 55.878 56.400 0.091 0.000 0.781 739 E CB 1.780 31.514 29.700 0.056 0.000 1.140 739 E HN 0.720 nan 8.360 nan 0.000 0.402 740 c N 0.000 118.678 118.600 0.131 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 0.192 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