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 2grx_1_A DATA FIRST_RESID 8 DATA SEQUENCE TITVTAAPAP QESAWGPAAT IAARQSATGT KTDTPIQKVP QSISVVTAEE DATA SEQUENCE MALHQPKSVK EALSYTPGVS VGTRGASNTY DHLIIRGFAA EGQSQNNYLN DATA SEQUENCE GLKLQGNFYN DAVIDPYMLE RAEIMRGPVS VLYGKSSPGG LLNMVSKRPT DATA SEQUENCE TEPLKEVQFK AGTDSLFQTG FDFSDSLDDD GVYSYRLTGL ARSANAQQKG DATA SEQUENCE SEEQRYAIAP AFTWRPDDKT NFTFLSYFQN EPETGYYGWL PKEGTVEPLP DATA SEQUENCE NGKRLPTDFN EGAKNNTYSR NEKMVGYSFD HEFNDTFTVR QNLRFAENKT DATA SEQUENCE SQNSVYGYGV cSDPANAYSK QcAALAPADK GHYLARKYVV DDEKLQNFSV DATA SEQUENCE DTQLQSKFAT GDIDHTLLTG VDFMRMRNDI NAWFGYDDSV PLLNLXXXXX DATA SEQUENCE XXXXXXXXXX XTDFDFNAKD PANSGPYRIL NKQKQTGVYV QDQAQWDKVL DATA SEQUENCE VTLGGRYDWA DQESLNRVAG TTDKRDDKQF TWRGGVNYLF DNGVTPYFSY DATA SEQUENCE SESFEPSSQV GKDGNIFAPS KGKQYEVGVK YVPEDRPIVV TGAVYNLTKT DATA SEQUENCE NNLMADPEGS FFSVEGGEIR ARGVEIEAKA ALSASVNVVG SYTYTDAEYT DATA SEQUENCE TDTTYKGNTP AQVPKHMASL WADYTFFDGP LSGLTLGTGG RYTGSSYGDP DATA SEQUENCE ANSFKVGSYT VVDALVRYDL ARVGMAGSNV ALHVNNLFDR EYVAScFNTY DATA SEQUENCE GcFWGAERQV VATATFRF 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.706 174.700 0.010 0.000 1.109 8 T CA 0.000 62.106 62.100 0.010 0.000 1.349 8 T CB 0.000 68.874 68.868 0.010 0.000 0.612 9 I N 1.551 122.128 120.570 0.011 0.000 3.521 9 I HA 0.627 4.799 4.170 0.004 0.000 0.223 9 I C -0.548 175.576 176.117 0.012 0.000 1.379 9 I CA 0.465 61.771 61.300 0.011 0.000 0.721 9 I CB 1.626 39.633 38.000 0.010 0.000 1.787 9 I HN 0.721 nan 8.210 nan 0.000 0.883 10 T N 0.387 114.948 114.554 0.012 0.000 2.843 10 T HA 0.418 4.770 4.350 0.004 0.000 0.337 10 T C -1.178 173.530 174.700 0.013 0.000 1.754 10 T CA -0.423 61.684 62.100 0.013 0.000 1.052 10 T CB 1.682 70.558 68.868 0.013 0.000 1.588 10 T HN 0.361 nan 8.240 nan 0.000 0.493 11 V N 0.893 120.815 119.914 0.014 0.000 3.158 11 V HA 0.949 5.072 4.120 0.004 0.000 0.311 11 V C -0.662 175.440 176.094 0.015 0.000 1.181 11 V CA -0.778 61.531 62.300 0.014 0.000 1.054 11 V CB 2.588 34.420 31.823 0.015 0.000 1.085 11 V HN 1.045 nan 8.190 nan 0.000 0.446 12 T N 1.010 115.573 114.554 0.014 0.000 3.041 12 T HA 0.720 5.072 4.350 0.004 0.000 0.321 12 T C -0.534 174.174 174.700 0.014 0.000 1.184 12 T CA -0.097 62.012 62.100 0.014 0.000 1.050 12 T CB 1.730 70.606 68.868 0.012 0.000 1.159 12 T HN 1.095 nan 8.240 nan 0.000 0.469 13 A N 1.814 124.643 122.820 0.014 0.000 2.288 13 A HA 1.055 5.377 4.320 0.004 0.000 0.328 13 A C -0.111 177.480 177.584 0.012 0.000 1.123 13 A CA -0.444 51.601 52.037 0.014 0.000 0.861 13 A CB 1.053 20.062 19.000 0.015 0.000 1.272 13 A HN 1.214 nan 8.150 nan 0.000 0.490 14 A N -0.049 122.778 122.820 0.011 0.000 2.504 14 A HA 0.954 5.276 4.320 0.004 0.000 0.285 14 A C -2.446 175.143 177.584 0.009 0.000 1.261 14 A CA -0.838 51.205 52.037 0.009 0.000 0.741 14 A CB 0.206 19.211 19.000 0.009 0.000 1.327 14 A HN 0.899 nan 8.150 nan 0.000 0.441 15 P HA 0.872 nan 4.420 nan 0.000 0.332 15 P C -0.972 176.332 177.300 0.006 0.000 1.256 15 P CA 0.130 63.233 63.100 0.006 0.000 0.819 15 P CB 1.671 33.374 31.700 0.004 0.000 1.377 16 A N -0.028 122.795 122.820 0.004 0.000 3.087 16 A HA 0.149 4.471 4.320 0.004 0.000 0.474 16 A C -1.510 176.075 177.584 0.002 0.000 0.675 16 A CA -0.851 51.188 52.037 0.003 0.000 1.004 16 A CB -2.964 16.039 19.000 0.005 0.000 2.624 16 A HN 0.761 nan 8.150 nan 0.000 0.584 17 P HA 0.449 nan 4.420 nan 0.000 0.276 17 P C -0.116 177.181 177.300 -0.005 0.000 1.264 17 P CA 0.376 63.474 63.100 -0.004 0.000 0.815 17 P CB 0.447 32.142 31.700 -0.009 0.000 1.121 18 Q N -0.516 119.278 119.800 -0.009 0.000 3.632 18 Q HA 0.006 4.349 4.340 0.004 0.000 0.128 18 Q C -1.152 174.840 176.000 -0.013 0.000 0.938 18 Q CA -0.125 55.672 55.803 -0.011 0.000 1.347 18 Q CB -0.088 28.648 28.738 -0.003 0.000 1.126 18 Q HN 0.770 nan 8.270 nan 0.000 0.624 19 E N 1.685 121.870 120.200 -0.026 0.000 2.250 19 E HA 0.677 5.029 4.350 0.004 0.000 0.269 19 E C -1.040 175.537 176.600 -0.039 0.000 1.018 19 E CA -0.375 56.006 56.400 -0.032 0.000 0.873 19 E CB 1.950 31.622 29.700 -0.047 0.000 1.134 19 E HN 0.305 nan 8.360 nan 0.000 0.403 20 S N 0.945 116.626 115.700 -0.033 0.000 2.593 20 S HA 0.539 5.011 4.470 0.004 0.000 0.297 20 S C 0.477 174.996 174.600 -0.136 0.000 1.112 20 S CA -0.005 58.174 58.200 -0.036 0.000 1.043 20 S CB 1.391 64.632 63.200 0.068 0.000 1.054 20 S HN 0.653 nan 8.310 nan 0.000 0.516 21 A N 3.073 125.699 122.820 -0.323 0.000 2.016 21 A HA 0.133 4.455 4.320 0.004 0.000 0.217 21 A C 1.322 178.583 177.584 -0.538 0.000 1.162 21 A CA 0.413 52.108 52.037 -0.570 0.000 0.662 21 A CB -0.322 18.077 19.000 -1.003 0.000 0.812 21 A HN 0.917 nan 8.150 nan 0.000 0.450 22 W N -0.394 120.886 121.300 -0.034 0.000 3.177 22 W HA 0.299 4.961 4.660 0.004 0.000 0.309 22 W C 0.975 177.471 176.519 -0.039 0.000 1.224 22 W CA -0.001 57.323 57.345 -0.036 0.000 1.718 22 W CB -0.410 29.033 29.460 -0.029 0.000 1.078 22 W HN 0.341 nan 8.180 nan 0.000 0.618 23 G N 1.110 109.988 108.800 0.131 0.000 2.568 23 G HA2 0.503 4.465 3.960 0.004 0.000 0.293 23 G HA3 0.503 4.465 3.960 0.004 0.000 0.293 23 G C -2.718 172.189 174.900 0.011 0.000 1.347 23 G CA -0.937 44.205 45.100 0.071 0.000 1.039 23 G HN -0.316 nan 8.290 nan 0.000 0.523 24 P HA 0.458 nan 4.420 nan 0.000 0.278 24 P C -0.676 176.603 177.300 -0.036 0.000 1.258 24 P CA -0.235 62.848 63.100 -0.029 0.000 0.811 24 P CB 1.271 32.954 31.700 -0.029 0.000 1.063 25 A N 1.088 123.880 122.820 -0.047 0.000 2.306 25 A HA 0.559 4.881 4.320 0.004 0.000 0.314 25 A C 1.447 179.008 177.584 -0.038 0.000 1.164 25 A CA 0.043 52.050 52.037 -0.049 0.000 0.822 25 A CB 0.292 19.256 19.000 -0.060 0.000 1.130 25 A HN 0.532 nan 8.150 nan 0.000 0.496 26 A N 1.814 124.613 122.820 -0.035 0.000 1.917 26 A HA 0.109 4.431 4.320 0.004 0.000 0.219 26 A C 1.465 179.035 177.584 -0.023 0.000 1.182 26 A CA 2.581 54.602 52.037 -0.025 0.000 0.633 26 A CB -0.858 18.126 19.000 -0.026 0.000 0.819 26 A HN 1.550 nan 8.150 nan 0.000 0.448 27 T N -4.276 110.260 114.554 -0.029 0.000 2.626 27 T HA 0.503 4.856 4.350 0.004 0.000 0.279 27 T C 0.993 175.675 174.700 -0.030 0.000 0.983 27 T CA -0.007 62.080 62.100 -0.023 0.000 1.059 27 T CB 0.379 69.235 68.868 -0.019 0.000 1.396 27 T HN 0.550 nan 8.240 nan 0.000 0.519 28 I N -1.030 119.526 120.570 -0.023 0.000 3.291 28 I HA 0.473 4.645 4.170 0.004 0.000 0.279 28 I C 1.070 177.166 176.117 -0.035 0.000 1.294 28 I CA -0.144 61.137 61.300 -0.032 0.000 1.428 28 I CB -0.506 37.480 38.000 -0.023 0.000 1.070 28 I HN 0.565 nan 8.210 nan 0.000 0.478 29 A N 2.207 125.006 122.820 -0.035 0.000 2.582 29 A HA 0.771 5.093 4.320 0.004 0.000 0.336 29 A C 0.695 178.243 177.584 -0.059 0.000 1.445 29 A CA -0.365 51.645 52.037 -0.044 0.000 0.997 29 A CB -0.339 18.635 19.000 -0.044 0.000 1.148 29 A HN 0.436 nan 8.150 nan 0.000 0.514 30 A N 2.262 125.042 122.820 -0.066 0.000 2.555 30 A HA 0.337 4.659 4.320 0.004 0.000 0.233 30 A C 1.146 178.677 177.584 -0.088 0.000 1.060 30 A CA 0.196 52.185 52.037 -0.080 0.000 0.759 30 A CB 0.131 19.076 19.000 -0.091 0.000 0.995 30 A HN 0.881 nan 8.150 nan 0.000 0.506 31 R N -0.193 120.251 120.500 -0.094 0.000 2.287 31 R HA 0.133 4.475 4.340 0.004 0.000 0.197 31 R C -0.188 176.045 176.300 -0.112 0.000 0.900 31 R CA 0.344 56.386 56.100 -0.097 0.000 1.052 31 R CB 0.367 30.616 30.300 -0.085 0.000 1.117 31 R HN 0.831 nan 8.270 nan 0.000 0.568 32 Q N 0.530 120.252 119.800 -0.130 0.000 2.323 32 Q HA 0.366 4.709 4.340 0.004 0.000 0.271 32 Q C -1.186 174.685 176.000 -0.215 0.000 1.048 32 Q CA -0.345 55.360 55.803 -0.164 0.000 0.792 32 Q CB 2.738 31.379 28.738 -0.161 0.000 1.280 32 Q HN -0.039 nan 8.270 nan 0.000 0.441 33 S N 0.653 116.215 115.700 -0.231 0.000 2.751 33 S HA 0.847 5.319 4.470 0.004 0.000 0.310 33 S C -0.555 173.849 174.600 -0.327 0.000 1.128 33 S CA 0.285 58.323 58.200 -0.270 0.000 0.931 33 S CB 1.871 64.951 63.200 -0.200 0.000 1.177 33 S HN 0.677 nan 8.310 nan 0.000 0.530 34 A N 0.394 123.014 122.820 -0.333 0.000 2.733 34 A HA 0.277 4.599 4.320 0.004 0.000 0.232 34 A C 0.859 178.380 177.584 -0.105 0.000 1.251 34 A CA 0.605 52.470 52.037 -0.287 0.000 1.015 34 A CB -0.425 18.239 19.000 -0.560 0.000 1.291 34 A HN 1.121 nan 8.150 nan 0.000 0.595 35 T N -3.256 111.240 114.554 -0.097 0.000 3.330 35 T HA 0.437 4.789 4.350 0.004 0.000 0.249 35 T C 0.982 175.682 174.700 0.000 0.000 0.980 35 T CA 0.851 62.946 62.100 -0.009 0.000 0.920 35 T CB 0.051 68.863 68.868 -0.093 0.000 1.065 35 T HN 0.555 nan 8.240 nan 0.000 0.588 36 G N 0.370 109.157 108.800 -0.020 0.000 3.314 36 G HA2 0.253 4.215 3.960 0.004 0.000 0.230 36 G HA3 0.253 4.215 3.960 0.004 0.000 0.230 36 G C 0.895 175.766 174.900 -0.049 0.000 1.058 36 G CA 0.291 45.368 45.100 -0.039 0.000 0.926 36 G HN 0.640 nan 8.290 nan 0.000 0.564 37 T N -3.288 111.237 114.554 -0.049 0.000 3.328 37 T HA 0.227 4.579 4.350 0.004 0.000 0.297 37 T C 0.773 175.455 174.700 -0.029 0.000 0.882 37 T CA 0.408 62.474 62.100 -0.057 0.000 0.906 37 T CB -0.064 68.771 68.868 -0.055 0.000 1.210 37 T HN 0.093 nan 8.240 nan 0.000 0.631 38 K N 1.805 122.202 120.400 -0.005 0.000 3.069 38 K HA -0.143 4.179 4.320 0.004 0.000 0.267 38 K C -0.710 175.968 176.600 0.130 0.000 1.082 38 K CA 1.139 57.469 56.287 0.072 0.000 0.782 38 K CB -2.259 30.256 32.500 0.025 0.000 1.230 38 K HN 0.831 nan 8.250 nan 0.000 0.488 39 T N -2.690 111.897 114.554 0.056 0.000 2.956 39 T HA 0.164 4.516 4.350 0.004 0.000 0.312 39 T C -0.820 173.828 174.700 -0.088 0.000 1.151 39 T CA -1.135 60.999 62.100 0.056 0.000 1.024 39 T CB 2.046 70.937 68.868 0.037 0.000 1.140 39 T HN 0.035 nan 8.240 nan 0.000 0.473 40 D N 1.988 122.320 120.400 -0.113 0.000 2.426 40 D HA 0.236 4.878 4.640 0.004 0.000 0.261 40 D C -0.594 175.612 176.300 -0.157 0.000 1.245 40 D CA 0.939 54.779 54.000 -0.266 0.000 0.917 40 D CB 0.354 41.069 40.800 -0.141 0.000 1.123 40 D HN 0.582 nan 8.370 nan 0.000 0.508 41 T N 5.356 119.799 114.554 -0.185 0.000 3.032 41 T HA 0.318 4.670 4.350 0.004 0.000 0.312 41 T C -2.603 172.014 174.700 -0.138 0.000 1.078 41 T CA -1.109 60.912 62.100 -0.132 0.000 1.028 41 T CB 2.503 71.303 68.868 -0.115 0.000 1.091 41 T HN 0.237 nan 8.240 nan 0.000 0.457 42 P HA 0.222 nan 4.420 nan 0.000 0.267 42 P C 1.041 178.272 177.300 -0.116 0.000 1.205 42 P CA -0.175 62.861 63.100 -0.107 0.000 0.765 42 P CB 0.740 32.392 31.700 -0.081 0.000 0.828 43 I N 2.054 122.550 120.570 -0.123 0.000 2.143 43 I HA -0.373 3.799 4.170 0.004 0.000 0.245 43 I C 2.624 178.655 176.117 -0.144 0.000 1.068 43 I CA 1.885 63.105 61.300 -0.133 0.000 1.326 43 I CB -0.787 37.141 38.000 -0.120 0.000 1.028 43 I HN 0.464 nan 8.210 nan 0.000 0.412 44 Q N 2.128 121.859 119.800 -0.114 0.000 2.112 44 Q HA -0.262 4.081 4.340 0.004 0.000 0.206 44 Q C 1.654 177.572 176.000 -0.137 0.000 0.987 44 Q CA 1.723 57.461 55.803 -0.108 0.000 0.858 44 Q CB -0.800 27.910 28.738 -0.047 0.000 0.905 44 Q HN 0.525 nan 8.270 nan 0.000 0.420 45 K N 0.798 121.130 120.400 -0.114 0.000 2.574 45 K HA 0.116 4.438 4.320 0.004 0.000 0.193 45 K C -0.040 176.472 176.600 -0.145 0.000 1.035 45 K CA 0.074 56.295 56.287 -0.110 0.000 0.982 45 K CB 0.212 32.662 32.500 -0.083 0.000 0.795 45 K HN 0.021 nan 8.250 nan 0.000 0.491 46 V N 3.541 123.337 119.914 -0.196 0.000 2.406 46 V HA 0.050 4.172 4.120 0.004 0.000 0.272 46 V C -1.325 174.579 176.094 -0.316 0.000 1.043 46 V CA -1.385 60.787 62.300 -0.213 0.000 0.915 46 V CB 1.252 32.954 31.823 -0.202 0.000 0.988 46 V HN 0.098 nan 8.190 nan 0.000 0.466 47 P HA -0.088 nan 4.420 nan 0.000 0.239 47 P C 0.208 177.423 177.300 -0.142 0.000 1.184 47 P CA 0.813 63.805 63.100 -0.179 0.000 0.760 47 P CB 0.612 32.269 31.700 -0.073 0.000 0.884 48 Q N -1.023 118.649 119.800 -0.212 0.000 2.495 48 Q HA 0.433 4.775 4.340 0.004 0.000 0.287 48 Q C -0.805 175.110 176.000 -0.143 0.000 1.078 48 Q CA -0.801 54.941 55.803 -0.102 0.000 0.793 48 Q CB 2.240 30.920 28.738 -0.098 0.000 1.459 48 Q HN -0.243 nan 8.270 nan 0.000 0.422 49 S N 1.309 116.983 115.700 -0.044 0.000 2.549 49 S HA 0.375 4.847 4.470 0.004 0.000 0.283 49 S C -0.404 174.136 174.600 -0.100 0.000 1.320 49 S CA -0.066 58.107 58.200 -0.046 0.000 1.058 49 S CB 0.105 63.304 63.200 -0.002 0.000 0.882 49 S HN 0.380 nan 8.310 nan 0.000 0.498 50 I N 2.187 122.699 120.570 -0.097 0.000 3.191 50 I HA 0.527 4.699 4.170 0.004 0.000 0.313 50 I C -0.399 175.666 176.117 -0.086 0.000 1.193 50 I CA -0.572 60.662 61.300 -0.110 0.000 0.968 50 I CB 2.022 39.945 38.000 -0.128 0.000 1.262 50 I HN 0.544 nan 8.210 nan 0.000 0.456 51 S N 1.176 116.820 115.700 -0.093 0.000 2.537 51 S HA 0.687 5.159 4.470 0.004 0.000 0.271 51 S C -1.274 173.275 174.600 -0.085 0.000 1.148 51 S CA -0.499 57.657 58.200 -0.073 0.000 0.868 51 S CB 2.775 65.939 63.200 -0.060 0.000 1.115 51 S HN 0.278 nan 8.310 nan 0.000 0.461 52 V N 2.676 122.545 119.914 -0.074 0.000 2.498 52 V HA 0.318 4.440 4.120 0.004 0.000 0.283 52 V C -0.705 175.347 176.094 -0.069 0.000 1.015 52 V CA -0.618 61.633 62.300 -0.082 0.000 0.867 52 V CB 1.664 33.431 31.823 -0.093 0.000 1.025 52 V HN 0.706 nan 8.190 nan 0.000 0.441 53 V N 4.771 124.644 119.914 -0.068 0.000 2.389 53 V HA 0.256 4.378 4.120 0.004 0.000 0.264 53 V C 0.951 177.001 176.094 -0.074 0.000 1.049 53 V CA -0.132 62.130 62.300 -0.065 0.000 0.932 53 V CB 1.345 33.133 31.823 -0.058 0.000 1.011 53 V HN 0.971 nan 8.190 nan 0.000 0.475 54 T N 2.983 117.491 114.554 -0.076 0.000 2.898 54 T HA 0.412 4.764 4.350 0.004 0.000 0.301 54 T C 1.454 176.101 174.700 -0.088 0.000 1.049 54 T CA 0.008 62.061 62.100 -0.079 0.000 1.095 54 T CB 1.497 70.321 68.868 -0.073 0.000 0.976 54 T HN 0.699 nan 8.240 nan 0.000 0.539 55 A N 0.873 123.639 122.820 -0.091 0.000 1.883 55 A HA -0.143 4.179 4.320 0.004 0.000 0.217 55 A C 2.271 179.793 177.584 -0.105 0.000 1.186 55 A CA 1.920 53.893 52.037 -0.106 0.000 0.624 55 A CB -1.049 17.880 19.000 -0.118 0.000 0.822 55 A HN 1.053 nan 8.150 nan 0.000 0.444 56 E N -0.246 119.900 120.200 -0.091 0.000 2.070 56 E HA -0.299 4.054 4.350 0.004 0.000 0.197 56 E C 2.025 178.562 176.600 -0.105 0.000 1.004 56 E CA 1.701 58.052 56.400 -0.082 0.000 0.805 56 E CB -0.215 29.449 29.700 -0.059 0.000 0.744 56 E HN 0.762 nan 8.360 nan 0.000 0.451 57 E N -0.114 120.017 120.200 -0.115 0.000 2.031 57 E HA -0.221 4.131 4.350 0.004 0.000 0.193 57 E C 2.271 178.760 176.600 -0.185 0.000 0.994 57 E CA 1.468 57.769 56.400 -0.166 0.000 0.800 57 E CB -0.101 29.513 29.700 -0.142 0.000 0.752 57 E HN 0.348 nan 8.360 nan 0.000 0.447 58 M N 0.632 120.157 119.600 -0.125 0.000 2.082 58 M HA -0.180 4.303 4.480 0.004 0.000 0.258 58 M C 1.848 178.072 176.300 -0.127 0.000 1.071 58 M CA 1.495 56.736 55.300 -0.099 0.000 1.103 58 M CB -0.492 32.059 32.600 -0.081 0.000 1.307 58 M HN 0.102 nan 8.290 nan 0.000 0.409 59 A N 0.356 123.101 122.820 -0.125 0.000 2.863 59 A HA 0.194 4.516 4.320 0.004 0.000 0.246 59 A C 1.244 178.732 177.584 -0.160 0.000 1.772 59 A CA 0.455 52.417 52.037 -0.124 0.000 1.456 59 A CB -1.050 17.896 19.000 -0.089 0.000 0.930 59 A HN 0.664 nan 8.150 nan 0.000 0.630 60 L N -3.041 118.030 121.223 -0.254 0.000 3.617 60 L HA 0.299 4.641 4.340 0.004 0.000 0.336 60 L C 0.913 177.490 176.870 -0.488 0.000 1.141 60 L CA 0.108 54.758 54.840 -0.318 0.000 1.225 60 L CB 0.411 42.212 42.059 -0.431 0.000 1.725 60 L HN 0.455 nan 8.230 nan 0.000 0.621 61 H N -0.339 118.567 119.070 -0.274 0.000 2.986 61 H HA 0.260 4.818 4.556 0.004 0.000 0.267 61 H C 0.022 175.182 175.328 -0.280 0.000 1.072 61 H CA 0.018 55.932 56.048 -0.223 0.000 1.202 61 H CB 0.853 30.488 29.762 -0.213 0.000 1.535 61 H HN 0.238 nan 8.280 nan 0.000 0.522 62 Q N 1.477 121.108 119.800 -0.281 0.000 2.447 62 Q HA -0.114 4.229 4.340 0.004 0.000 0.348 62 Q C -2.484 173.451 176.000 -0.109 0.000 1.421 62 Q CA -0.043 55.601 55.803 -0.264 0.000 0.978 62 Q CB -0.793 27.660 28.738 -0.475 0.000 1.191 62 Q HN 0.385 nan 8.270 nan 0.000 0.371 63 P HA 0.004 nan 4.420 nan 0.000 0.271 63 P C -0.128 177.154 177.300 -0.031 0.000 1.216 63 P CA 0.062 63.146 63.100 -0.028 0.000 0.776 63 P CB 1.027 32.714 31.700 -0.022 0.000 0.881 64 K N 0.710 121.092 120.400 -0.029 0.000 2.487 64 K HA 0.081 4.403 4.320 0.004 0.000 0.192 64 K C 0.585 177.163 176.600 -0.037 0.000 1.027 64 K CA 0.327 56.592 56.287 -0.036 0.000 1.054 64 K CB 0.194 32.671 32.500 -0.038 0.000 0.824 64 K HN 0.692 nan 8.250 nan 0.000 0.510 65 S N -2.995 112.685 115.700 -0.033 0.000 2.615 65 S HA 0.101 4.574 4.470 0.004 0.000 0.268 65 S C 0.636 175.214 174.600 -0.036 0.000 1.146 65 S CA -0.982 57.195 58.200 -0.037 0.000 0.818 65 S CB 1.209 64.380 63.200 -0.047 0.000 1.111 65 S HN -0.210 nan 8.310 nan 0.000 0.465 66 V N 1.616 121.505 119.914 -0.043 0.000 2.759 66 V HA -0.069 4.053 4.120 0.004 0.000 0.256 66 V C 2.607 178.677 176.094 -0.040 0.000 1.080 66 V CA 2.242 64.513 62.300 -0.047 0.000 1.101 66 V CB -1.004 30.783 31.823 -0.061 0.000 0.698 66 V HN 0.951 nan 8.190 nan 0.000 0.477 67 K N 0.741 121.122 120.400 -0.033 0.000 2.001 67 K HA -0.161 4.161 4.320 0.004 0.000 0.208 67 K C 1.947 178.538 176.600 -0.015 0.000 1.048 67 K CA 1.574 57.847 56.287 -0.022 0.000 0.932 67 K CB -0.130 32.363 32.500 -0.013 0.000 0.715 67 K HN 0.503 nan 8.250 nan 0.000 0.437 68 E N -0.339 119.852 120.200 -0.015 0.000 2.515 68 E HA -0.111 4.241 4.350 0.004 0.000 0.201 68 E C 1.202 177.791 176.600 -0.019 0.000 1.071 68 E CA 0.447 56.841 56.400 -0.010 0.000 0.880 68 E CB 0.169 29.865 29.700 -0.008 0.000 0.828 68 E HN 0.400 nan 8.360 nan 0.000 0.540 69 A N 0.316 123.123 122.820 -0.022 0.000 2.169 69 A HA 0.112 4.434 4.320 0.004 0.000 0.210 69 A C 1.660 179.236 177.584 -0.013 0.000 1.168 69 A CA 0.047 52.068 52.037 -0.026 0.000 0.813 69 A CB 0.222 19.200 19.000 -0.037 0.000 0.861 69 A HN 0.139 nan 8.150 nan 0.000 0.481 70 L N -0.237 120.979 121.223 -0.011 0.000 2.700 70 L HA 0.128 4.471 4.340 0.004 0.000 0.234 70 L C 1.666 178.542 176.870 0.010 0.000 1.156 70 L CA 0.025 54.862 54.840 -0.005 0.000 0.946 70 L CB 0.108 42.150 42.059 -0.027 0.000 1.216 70 L HN 0.200 nan 8.230 nan 0.000 0.493 71 S N -0.369 115.344 115.700 0.022 0.000 2.419 71 S HA -0.119 4.353 4.470 0.004 0.000 0.233 71 S C 0.910 175.459 174.600 -0.085 0.000 1.016 71 S CA 1.206 59.388 58.200 -0.031 0.000 0.974 71 S CB -0.182 62.980 63.200 -0.063 0.000 0.786 71 S HN 0.415 nan 8.310 nan 0.000 0.492 72 Y N 1.783 122.041 120.300 -0.070 0.000 2.811 72 Y HA 0.333 4.885 4.550 0.004 0.000 0.330 72 Y C 0.189 176.082 175.900 -0.012 0.000 1.081 72 Y CA -0.372 57.712 58.100 -0.027 0.000 1.408 72 Y CB -0.194 38.244 38.460 -0.036 0.000 1.235 72 Y HN -0.035 nan 8.280 nan 0.000 0.529 73 T N 3.438 118.037 114.554 0.075 0.000 2.812 73 T HA 0.292 4.644 4.350 0.004 0.000 0.282 73 T C -2.763 171.941 174.700 0.006 0.000 0.990 73 T CA -1.719 60.403 62.100 0.037 0.000 0.960 73 T CB 1.906 70.778 68.868 0.007 0.000 0.948 73 T HN -0.069 nan 8.240 nan 0.000 0.438 74 P HA 0.231 nan 4.420 nan 0.000 0.268 74 P C 0.782 178.063 177.300 -0.030 0.000 1.204 74 P CA 0.349 63.444 63.100 -0.008 0.000 0.768 74 P CB 0.564 32.271 31.700 0.011 0.000 0.842 75 G N 1.189 109.964 108.800 -0.040 0.000 2.176 75 G HA2 -0.143 3.819 3.960 0.004 0.000 0.252 75 G HA3 -0.143 3.819 3.960 0.004 0.000 0.252 75 G C -0.280 174.580 174.900 -0.067 0.000 1.024 75 G CA -0.098 44.971 45.100 -0.051 0.000 0.755 75 G HN 0.573 nan 8.290 nan 0.000 0.507 76 V N 0.121 120.000 119.914 -0.058 0.000 2.577 76 V HA 0.620 4.742 4.120 0.004 0.000 0.294 76 V C 0.187 176.254 176.094 -0.044 0.000 1.052 76 V CA -0.177 62.089 62.300 -0.057 0.000 0.891 76 V CB 1.742 33.531 31.823 -0.056 0.000 1.017 76 V HN 0.669 nan 8.190 nan 0.000 0.436 77 S N 3.515 119.193 115.700 -0.037 0.000 2.452 77 S HA 0.403 4.876 4.470 0.004 0.000 0.284 77 S C 0.535 175.142 174.600 0.012 0.000 1.171 77 S CA -0.216 57.975 58.200 -0.014 0.000 1.064 77 S CB 1.324 64.516 63.200 -0.013 0.000 0.967 77 S HN 1.195 nan 8.310 nan 0.000 0.484 78 V N 3.318 123.248 119.914 0.028 0.000 3.110 78 V HA 0.576 4.698 4.120 0.004 0.000 0.368 78 V C 0.892 177.026 176.094 0.066 0.000 1.332 78 V CA 0.421 62.742 62.300 0.036 0.000 1.287 78 V CB -0.091 31.745 31.823 0.021 0.000 1.277 78 V HN 0.830 nan 8.190 nan 0.000 0.502 79 G N 0.229 109.082 108.800 0.089 0.000 3.596 79 G HA2 0.091 4.053 3.960 0.004 0.000 0.274 79 G HA3 0.091 4.053 3.960 0.004 0.000 0.274 79 G C 1.035 175.988 174.900 0.089 0.000 1.007 79 G CA 0.706 45.876 45.100 0.117 0.000 0.825 79 G HN 0.535 nan 8.290 nan 0.000 0.508 80 T N -0.271 114.320 114.554 0.062 0.000 2.721 80 T HA -0.213 4.140 4.350 0.004 0.000 0.268 80 T C 1.997 176.615 174.700 -0.137 0.000 1.038 80 T CA 1.419 63.537 62.100 0.030 0.000 1.145 80 T CB 0.085 68.998 68.868 0.075 0.000 0.858 80 T HN 0.251 nan 8.240 nan 0.000 0.459 81 R N 1.009 121.338 120.500 -0.284 0.000 2.535 81 R HA 0.432 4.774 4.340 0.004 0.000 0.323 81 R C 1.390 177.383 176.300 -0.511 0.000 0.979 81 R CA 0.332 55.949 56.100 -0.806 0.000 1.120 81 R CB -0.242 29.771 30.300 -0.478 0.000 1.306 81 R HN 0.483 nan 8.270 nan 0.000 0.540 82 G N 0.512 109.242 108.800 -0.116 0.000 2.675 82 G HA2 -0.411 3.551 3.960 0.004 0.000 0.312 82 G HA3 -0.411 3.551 3.960 0.004 0.000 0.312 82 G C 0.785 175.701 174.900 0.026 0.000 1.186 82 G CA 0.528 45.653 45.100 0.041 0.000 0.965 82 G HN 0.626 nan 8.290 nan 0.000 0.548 83 A N 0.113 122.973 122.820 0.068 0.000 2.345 83 A HA 0.711 5.033 4.320 0.004 0.000 0.225 83 A C 1.175 178.805 177.584 0.077 0.000 1.243 83 A CA 1.741 53.817 52.037 0.066 0.000 0.875 83 A CB -0.128 18.918 19.000 0.078 0.000 0.929 83 A HN 1.784 nan 8.150 nan 0.000 0.502 84 S N 0.130 115.863 115.700 0.055 0.000 2.586 84 S HA 0.351 4.823 4.470 0.004 0.000 0.274 84 S C 0.319 174.885 174.600 -0.058 0.000 1.281 84 S CA -0.580 57.636 58.200 0.027 0.000 1.035 84 S CB 0.356 63.571 63.200 0.025 0.000 0.962 84 S HN 0.394 nan 8.310 nan 0.000 0.512 85 N N 2.309 120.938 118.700 -0.118 0.000 2.299 85 N HA 0.118 4.860 4.740 0.004 0.000 0.246 85 N C 0.678 176.018 175.510 -0.283 0.000 1.254 85 N CA 0.010 52.971 53.050 -0.148 0.000 0.879 85 N CB 0.574 38.998 38.487 -0.104 0.000 1.214 85 N HN 0.569 nan 8.380 nan 0.000 0.510 86 T N 0.158 114.428 114.554 -0.474 0.000 2.720 86 T HA -0.099 4.253 4.350 0.004 0.000 0.268 86 T C 0.029 174.156 174.700 -0.954 0.000 1.037 86 T CA 1.656 63.212 62.100 -0.906 0.000 1.144 86 T CB -0.037 67.929 68.868 -1.503 0.000 0.864 86 T HN 0.189 nan 8.240 nan 0.000 0.444 87 Y N -0.219 119.906 120.300 -0.291 0.000 2.576 87 Y HA 0.418 4.970 4.550 0.004 0.000 0.346 87 Y C -0.349 175.493 175.900 -0.096 0.000 1.018 87 Y CA -2.116 55.877 58.100 -0.178 0.000 1.050 87 Y CB 1.163 39.534 38.460 -0.148 0.000 1.280 87 Y HN -0.153 nan 8.280 nan 0.000 0.474 88 D N 1.194 121.659 120.400 0.109 0.000 2.639 88 D HA 0.019 4.661 4.640 0.004 0.000 0.233 88 D C -0.682 175.649 176.300 0.053 0.000 1.161 88 D CA 0.100 54.122 54.000 0.037 0.000 1.003 88 D CB -0.145 40.645 40.800 -0.017 0.000 1.034 88 D HN 0.486 nan 8.370 nan 0.000 0.514 89 H N 2.789 121.854 119.070 -0.009 0.000 2.594 89 H HA 0.255 4.813 4.556 0.004 0.000 0.304 89 H C -0.991 174.309 175.328 -0.046 0.000 1.068 89 H CA -0.393 55.633 56.048 -0.037 0.000 1.308 89 H CB 0.799 30.543 29.762 -0.031 0.000 1.409 89 H HN 0.089 nan 8.280 nan 0.000 0.460 90 L N 6.015 127.040 121.223 -0.331 0.000 2.333 90 L HA 0.417 4.760 4.340 0.004 0.000 0.269 90 L C 0.039 176.756 176.870 -0.254 0.000 1.010 90 L CA -0.623 54.099 54.840 -0.196 0.000 0.818 90 L CB 1.772 43.739 42.059 -0.154 0.000 1.306 90 L HN 0.611 nan 8.230 nan 0.000 0.430 91 I N 3.524 124.030 120.570 -0.106 0.000 2.405 91 I HA 0.318 4.490 4.170 0.004 0.000 0.280 91 I C -0.956 175.112 176.117 -0.081 0.000 1.027 91 I CA -0.437 60.812 61.300 -0.085 0.000 1.161 91 I CB 1.175 39.153 38.000 -0.036 0.000 1.300 91 I HN 0.355 nan 8.210 nan 0.000 0.463 92 I N 6.368 126.889 120.570 -0.082 0.000 2.307 92 I HA 0.335 4.507 4.170 0.004 0.000 0.289 92 I C 0.501 176.589 176.117 -0.048 0.000 1.021 92 I CA -0.278 60.971 61.300 -0.085 0.000 1.224 92 I CB 0.518 38.447 38.000 -0.119 0.000 1.376 92 I HN 0.450 nan 8.210 nan 0.000 0.470 93 R N 4.655 125.115 120.500 -0.065 0.000 3.144 93 R HA -0.182 4.160 4.340 0.004 0.000 0.255 93 R C 1.069 177.360 176.300 -0.015 0.000 0.949 93 R CA 0.443 56.524 56.100 -0.032 0.000 0.649 93 R CB -1.955 28.275 30.300 -0.117 0.000 1.229 93 R HN 1.186 nan 8.270 nan 0.000 0.440 94 G N -0.563 108.142 108.800 -0.158 0.000 2.225 94 G HA2 -0.351 3.611 3.960 0.004 0.000 0.272 94 G HA3 -0.351 3.611 3.960 0.004 0.000 0.272 94 G C -0.005 174.526 174.900 -0.615 0.000 0.996 94 G CA 1.107 45.978 45.100 -0.381 0.000 0.710 94 G HN 0.449 nan 8.290 nan 0.000 0.522 95 F N -0.237 119.638 119.950 -0.124 0.000 2.563 95 F HA 0.778 5.307 4.527 0.004 0.000 0.316 95 F C 0.360 176.078 175.800 -0.137 0.000 1.076 95 F CA -0.221 57.701 58.000 -0.129 0.000 0.921 95 F CB 2.286 41.199 39.000 -0.144 0.000 1.209 95 F HN 0.328 nan 8.300 nan 0.000 0.462 96 A N 0.844 123.715 122.820 0.086 0.000 2.564 96 A HA 0.910 5.232 4.320 0.004 0.000 0.288 96 A C -0.738 176.830 177.584 -0.027 0.000 1.164 96 A CA -0.325 51.686 52.037 -0.044 0.000 0.712 96 A CB 0.757 19.727 19.000 -0.050 0.000 1.303 96 A HN 1.011 nan 8.150 nan 0.000 0.418 97 A N -0.199 122.570 122.820 -0.086 0.000 2.262 97 A HA 0.566 4.888 4.320 0.004 0.000 0.275 97 A C 0.060 177.637 177.584 -0.012 0.000 1.402 97 A CA 0.071 52.069 52.037 -0.064 0.000 0.817 97 A CB -0.062 18.883 19.000 -0.092 0.000 1.271 97 A HN 0.720 nan 8.150 nan 0.000 0.520 98 E N -1.315 118.880 120.200 -0.007 0.000 2.199 98 E HA 0.468 4.820 4.350 0.004 0.000 0.269 98 E C -0.168 176.441 176.600 0.015 0.000 0.899 98 E CA 0.103 56.515 56.400 0.020 0.000 0.772 98 E CB 1.514 31.235 29.700 0.035 0.000 1.155 98 E HN 1.576 nan 8.360 nan 0.000 0.408 99 G N 2.763 111.570 108.800 0.012 0.000 2.370 99 G HA2 -0.298 3.664 3.960 0.004 0.000 0.268 99 G HA3 -0.298 3.664 3.960 0.004 0.000 0.268 99 G C 0.419 175.273 174.900 -0.076 0.000 1.122 99 G CA 0.406 45.497 45.100 -0.016 0.000 0.963 99 G HN 0.566 nan 8.290 nan 0.000 0.500 100 Q N -1.202 118.557 119.800 -0.069 0.000 2.405 100 Q HA -0.215 4.128 4.340 0.004 0.000 0.265 100 Q C 0.905 176.872 176.000 -0.055 0.000 1.096 100 Q CA 1.744 57.484 55.803 -0.106 0.000 0.982 100 Q CB -1.315 27.267 28.738 -0.260 0.000 1.426 100 Q HN 1.601 nan 8.270 nan 0.000 0.527 101 S N -0.845 114.841 115.700 -0.022 0.000 2.652 101 S HA 0.562 5.034 4.470 0.004 0.000 0.270 101 S C -0.197 174.366 174.600 -0.062 0.000 1.243 101 S CA -0.163 57.989 58.200 -0.080 0.000 0.999 101 S CB 0.725 63.881 63.200 -0.074 0.000 0.973 101 S HN 0.419 nan 8.310 nan 0.000 0.544 102 Q N 1.316 121.039 119.800 -0.128 0.000 2.351 102 Q HA 0.508 4.850 4.340 0.004 0.000 0.273 102 Q C -1.387 174.513 176.000 -0.168 0.000 1.077 102 Q CA -1.024 54.670 55.803 -0.181 0.000 0.843 102 Q CB 0.826 29.475 28.738 -0.148 0.000 1.367 102 Q HN 0.519 nan 8.270 nan 0.000 0.449 103 N N 1.224 119.824 118.700 -0.167 0.000 2.936 103 N HA 0.299 5.041 4.740 0.004 0.000 0.243 103 N C -1.869 173.613 175.510 -0.047 0.000 1.149 103 N CA -0.250 52.739 53.050 -0.103 0.000 0.914 103 N CB 0.334 38.765 38.487 -0.094 0.000 1.179 103 N HN 0.490 nan 8.380 nan 0.000 0.502 104 N N 1.173 119.815 118.700 -0.098 0.000 2.238 104 N HA 0.423 5.165 4.740 0.004 0.000 0.302 104 N C -1.516 173.917 175.510 -0.130 0.000 1.072 104 N CA -0.364 52.656 53.050 -0.050 0.000 0.792 104 N CB 1.002 39.424 38.487 -0.108 0.000 1.425 104 N HN 0.181 nan 8.380 nan 0.000 0.478 105 Y N 0.304 120.481 120.300 -0.206 0.000 2.524 105 Y HA 0.667 5.219 4.550 0.003 0.000 0.344 105 Y C -0.718 175.080 175.900 -0.170 0.000 1.012 105 Y CA -1.107 56.878 58.100 -0.193 0.000 1.068 105 Y CB 1.576 39.894 38.460 -0.236 0.000 1.249 105 Y HN 0.351 nan 8.280 nan 0.000 0.468 106 L N 2.674 123.877 121.223 -0.033 0.000 2.406 106 L HA 0.507 4.849 4.340 0.004 0.000 0.272 106 L C -0.686 176.155 176.870 -0.049 0.000 0.980 106 L CA -0.748 54.043 54.840 -0.082 0.000 0.831 106 L CB 1.144 43.101 42.059 -0.169 0.000 1.253 106 L HN 0.778 nan 8.230 nan 0.000 0.406 107 N N 3.973 122.663 118.700 -0.017 0.000 2.735 107 N HA -0.154 4.588 4.740 0.004 0.000 0.248 107 N C 0.868 176.415 175.510 0.063 0.000 1.083 107 N CA 1.259 54.320 53.050 0.019 0.000 0.703 107 N CB -1.199 37.260 38.487 -0.047 0.000 1.005 107 N HN 1.372 nan 8.380 nan 0.000 0.550 108 G N -1.991 106.879 108.800 0.118 0.000 2.176 108 G HA2 -0.297 3.665 3.960 0.004 0.000 0.253 108 G HA3 -0.297 3.665 3.960 0.004 0.000 0.253 108 G C -0.117 174.919 174.900 0.226 0.000 0.979 108 G CA 0.454 45.670 45.100 0.194 0.000 0.641 108 G HN 0.396 nan 8.290 nan 0.000 0.530 109 L N -0.023 121.287 121.223 0.144 0.000 2.365 109 L HA 0.579 4.921 4.340 0.004 0.000 0.273 109 L C 0.434 177.256 176.870 -0.081 0.000 1.000 109 L CA -1.309 53.574 54.840 0.071 0.000 0.819 109 L CB 1.936 43.947 42.059 -0.080 0.000 1.284 109 L HN 0.161 nan 8.230 nan 0.000 0.418 110 K N 2.540 122.716 120.400 -0.373 0.000 2.355 110 K HA 0.234 4.556 4.320 0.004 0.000 0.270 110 K C -0.626 175.628 176.600 -0.576 0.000 1.003 110 K CA 0.225 55.837 56.287 -1.125 0.000 0.957 110 K CB 0.528 32.316 32.500 -1.186 0.000 0.939 110 K HN 0.566 nan 8.250 nan 0.000 0.482 111 L N 4.807 125.710 121.223 -0.532 0.000 2.701 111 L HA 0.166 4.508 4.340 0.004 0.000 0.237 111 L C 0.005 176.699 176.870 -0.292 0.000 1.204 111 L CA -0.728 53.917 54.840 -0.325 0.000 1.109 111 L CB 0.579 42.485 42.059 -0.255 0.000 1.409 111 L HN 0.657 nan 8.230 nan 0.000 0.428 112 Q N 1.526 121.152 119.800 -0.289 0.000 2.269 112 Q HA 0.082 4.424 4.340 0.004 0.000 0.300 112 Q C 0.419 176.331 176.000 -0.147 0.000 1.070 112 Q CA 0.459 56.131 55.803 -0.218 0.000 0.957 112 Q CB 1.447 30.074 28.738 -0.184 0.000 1.131 112 Q HN 0.616 nan 8.270 nan 0.000 0.377 113 G N 2.374 111.101 108.800 -0.121 0.000 3.107 113 G HA2 0.566 4.529 3.960 0.004 0.000 0.232 113 G HA3 0.566 4.529 3.960 0.004 0.000 0.232 113 G C -0.679 174.202 174.900 -0.031 0.000 1.339 113 G CA -0.362 44.695 45.100 -0.072 0.000 1.033 113 G HN 0.639 nan 8.290 nan 0.000 0.567 114 N N -1.787 116.918 118.700 0.009 0.000 3.134 114 N HA 0.147 4.889 4.740 0.004 0.000 0.235 114 N C -0.157 175.463 175.510 0.183 0.000 1.092 114 N CA -0.361 52.733 53.050 0.074 0.000 1.038 114 N CB 1.301 39.840 38.487 0.086 0.000 1.684 114 N HN 0.529 nan 8.380 nan 0.000 0.551 115 F N 2.686 122.598 119.950 -0.064 0.000 2.338 115 F HA -0.429 4.100 4.527 0.004 0.000 0.262 115 F C 0.489 176.166 175.800 -0.205 0.000 1.441 115 F CA 2.270 60.204 58.000 -0.110 0.000 2.000 115 F CB -1.030 37.993 39.000 0.038 0.000 0.547 115 F HN 0.714 nan 8.300 nan 0.000 0.206 116 Y N -0.179 120.119 120.300 -0.004 0.000 2.481 116 Y HA 0.270 4.822 4.550 0.004 0.000 0.258 116 Y C 1.095 177.050 175.900 0.092 0.000 1.103 116 Y CA 0.686 58.759 58.100 -0.046 0.000 1.287 116 Y CB -0.171 38.291 38.460 0.004 0.000 1.108 116 Y HN 0.209 nan 8.280 nan 0.000 0.529 117 N N 2.031 120.887 118.700 0.261 0.000 2.508 117 N HA 0.007 4.749 4.740 0.004 0.000 0.253 117 N C -1.495 174.076 175.510 0.101 0.000 1.145 117 N CA 0.513 53.684 53.050 0.203 0.000 0.973 117 N CB -0.125 38.469 38.487 0.178 0.000 1.305 117 N HN 0.125 nan 8.380 nan 0.000 0.506 118 D N 0.944 121.423 120.400 0.131 0.000 2.787 118 D HA 0.455 5.097 4.640 0.004 0.000 0.246 118 D C -0.876 175.500 176.300 0.127 0.000 1.150 118 D CA -0.363 53.667 54.000 0.051 0.000 0.864 118 D CB 2.134 42.867 40.800 -0.112 0.000 1.481 118 D HN 0.434 nan 8.370 nan 0.000 0.509 119 A N 1.462 124.301 122.820 0.032 0.000 2.282 119 A HA 0.779 5.102 4.320 0.004 0.000 0.319 119 A C -0.255 177.319 177.584 -0.017 0.000 1.121 119 A CA -0.518 51.527 52.037 0.013 0.000 0.836 119 A CB 1.072 20.055 19.000 -0.028 0.000 1.146 119 A HN 0.406 nan 8.150 nan 0.000 0.494 120 V N -0.930 118.968 119.914 -0.028 0.000 2.962 120 V HA 0.753 4.875 4.120 0.004 0.000 0.313 120 V C -0.944 175.090 176.094 -0.100 0.000 1.099 120 V CA -0.941 61.322 62.300 -0.062 0.000 0.971 120 V CB 1.735 33.531 31.823 -0.046 0.000 1.028 120 V HN 0.648 nan 8.190 nan 0.000 0.430 121 I N 2.597 123.067 120.570 -0.167 0.000 2.404 121 I HA 0.457 4.629 4.170 0.004 0.000 0.293 121 I C 0.087 176.149 176.117 -0.091 0.000 0.992 121 I CA -0.023 61.113 61.300 -0.273 0.000 1.149 121 I CB 1.535 39.279 38.000 -0.427 0.000 1.315 121 I HN 0.923 nan 8.210 nan 0.000 0.446 122 D N 8.220 128.648 120.400 0.048 0.000 2.372 122 D HA 0.132 4.774 4.640 0.004 0.000 0.243 122 D C -1.642 174.676 176.300 0.031 0.000 1.121 122 D CA -1.300 52.735 54.000 0.058 0.000 0.898 122 D CB 2.306 43.176 40.800 0.116 0.000 1.202 122 D HN 0.250 nan 8.370 nan 0.000 0.428 123 P HA -0.160 nan 4.420 nan 0.000 0.221 123 P C 1.389 178.695 177.300 0.011 0.000 1.150 123 P CA 0.728 63.824 63.100 -0.008 0.000 0.800 123 P CB -0.082 31.607 31.700 -0.019 0.000 0.787 124 Y N 1.052 121.313 120.300 -0.065 0.000 2.384 124 Y HA -0.113 4.439 4.550 0.004 0.000 0.289 124 Y C 2.082 177.934 175.900 -0.081 0.000 1.152 124 Y CA 1.435 59.485 58.100 -0.084 0.000 1.258 124 Y CB -0.457 37.947 38.460 -0.092 0.000 0.979 124 Y HN -0.171 nan 8.280 nan 0.000 0.549 125 M N -0.394 119.211 119.600 0.009 0.000 2.441 125 M HA 0.161 4.643 4.480 0.004 0.000 0.244 125 M C 0.010 176.256 176.300 -0.091 0.000 1.122 125 M CA 0.380 55.664 55.300 -0.026 0.000 1.041 125 M CB -0.382 32.313 32.600 0.158 0.000 1.438 125 M HN -0.005 nan 8.290 nan 0.000 0.484 126 L N 0.730 121.890 121.223 -0.104 0.000 2.375 126 L HA 0.157 4.499 4.340 0.004 0.000 0.271 126 L C 1.515 178.312 176.870 -0.123 0.000 1.107 126 L CA -0.223 54.553 54.840 -0.107 0.000 0.806 126 L CB 1.103 43.104 42.059 -0.096 0.000 1.146 126 L HN 0.032 nan 8.230 nan 0.000 0.447 127 E N 2.097 122.240 120.200 -0.096 0.000 2.216 127 E HA 0.052 4.404 4.350 0.004 0.000 0.192 127 E C -0.115 176.437 176.600 -0.079 0.000 0.973 127 E CA 0.467 56.815 56.400 -0.086 0.000 0.851 127 E CB 0.564 30.233 29.700 -0.052 0.000 0.804 127 E HN 0.563 nan 8.360 nan 0.000 0.477 128 R N -1.130 119.326 120.500 -0.074 0.000 2.604 128 R HA 0.669 5.011 4.340 0.004 0.000 0.261 128 R C -1.701 174.553 176.300 -0.078 0.000 1.080 128 R CA -0.440 55.614 56.100 -0.077 0.000 0.917 128 R CB 0.713 30.967 30.300 -0.076 0.000 1.252 128 R HN -0.010 nan 8.270 nan 0.000 0.456 129 A N 2.768 125.539 122.820 -0.081 0.000 2.277 129 A HA 0.434 4.756 4.320 0.004 0.000 0.318 129 A C -0.616 176.915 177.584 -0.089 0.000 1.339 129 A CA -0.669 51.318 52.037 -0.083 0.000 0.875 129 A CB 0.742 19.696 19.000 -0.077 0.000 1.158 129 A HN 0.744 nan 8.150 nan 0.000 0.514 130 E N 1.841 121.981 120.200 -0.100 0.000 2.214 130 E HA 0.522 4.874 4.350 0.004 0.000 0.274 130 E C -0.922 175.600 176.600 -0.130 0.000 0.977 130 E CA -0.676 55.655 56.400 -0.115 0.000 0.827 130 E CB 1.898 31.521 29.700 -0.128 0.000 1.130 130 E HN 0.471 nan 8.360 nan 0.000 0.394 131 I N 2.733 123.225 120.570 -0.130 0.000 2.465 131 I HA 0.280 4.452 4.170 0.004 0.000 0.291 131 I C -0.565 175.455 176.117 -0.162 0.000 1.014 131 I CA -0.506 60.708 61.300 -0.144 0.000 1.093 131 I CB 1.674 39.606 38.000 -0.114 0.000 1.267 131 I HN 0.584 nan 8.210 nan 0.000 0.431 132 M N 7.418 126.895 119.600 -0.204 0.000 2.018 132 M HA 0.425 4.907 4.480 0.004 0.000 0.311 132 M C -0.870 175.301 176.300 -0.215 0.000 0.928 132 M CA -0.529 54.646 55.300 -0.209 0.000 0.911 132 M CB 0.770 33.218 32.600 -0.254 0.000 1.447 132 M HN 0.467 nan 8.290 nan 0.000 0.407 133 R N 3.088 123.474 120.500 -0.190 0.000 2.441 133 R HA 0.773 5.115 4.340 0.004 0.000 0.284 133 R C 0.278 176.434 176.300 -0.240 0.000 1.070 133 R CA 0.160 56.131 56.100 -0.215 0.000 1.047 133 R CB 1.001 31.174 30.300 -0.211 0.000 1.016 133 R HN 0.965 nan 8.270 nan 0.000 0.477 134 G N 2.702 111.338 108.800 -0.275 0.000 2.555 134 G HA2 -0.142 3.820 3.960 0.004 0.000 0.686 134 G HA3 -0.142 3.820 3.960 0.004 0.000 0.686 134 G C -2.960 171.773 174.900 -0.278 0.000 1.275 134 G CA -1.348 43.582 45.100 -0.283 0.000 0.871 134 G HN 0.343 nan 8.290 nan 0.000 0.603 135 P HA 0.332 nan 4.420 nan 0.000 0.267 135 P C 0.960 178.100 177.300 -0.265 0.000 1.200 135 P CA 0.849 63.766 63.100 -0.306 0.000 0.772 135 P CB 0.936 32.420 31.700 -0.359 0.000 0.855 136 V N -1.707 118.067 119.914 -0.233 0.000 3.432 136 V HA 0.089 4.211 4.120 0.004 0.000 0.290 136 V C 1.311 177.333 176.094 -0.120 0.000 1.591 136 V CA 0.244 62.452 62.300 -0.154 0.000 1.069 136 V CB -0.331 31.417 31.823 -0.125 0.000 0.892 136 V HN 0.282 nan 8.190 nan 0.000 0.436 137 S N 1.140 116.736 115.700 -0.172 0.000 2.462 137 S HA -0.175 4.298 4.470 0.004 0.000 0.243 137 S C 1.859 176.368 174.600 -0.151 0.000 1.003 137 S CA 1.784 59.898 58.200 -0.144 0.000 0.970 137 S CB -0.012 63.135 63.200 -0.088 0.000 0.762 137 S HN 0.704 nan 8.310 nan 0.000 0.510 138 V N 0.388 120.184 119.914 -0.197 0.000 2.720 138 V HA -0.004 4.118 4.120 0.004 0.000 0.256 138 V C 1.310 177.233 176.094 -0.285 0.000 1.082 138 V CA 1.633 63.806 62.300 -0.212 0.000 1.101 138 V CB -0.149 31.551 31.823 -0.204 0.000 0.693 138 V HN 0.542 nan 8.190 nan 0.000 0.479 139 L N -2.518 118.478 121.223 -0.379 0.000 2.806 139 L HA 0.233 4.575 4.340 0.004 0.000 0.242 139 L C 1.448 177.742 176.870 -0.960 0.000 1.068 139 L CA 0.284 54.664 54.840 -0.767 0.000 0.923 139 L CB 0.362 41.905 42.059 -0.860 0.000 1.364 139 L HN 0.301 nan 8.230 nan 0.000 0.511 140 Y N -0.171 119.952 120.300 -0.296 0.000 2.481 140 Y HA 0.507 5.059 4.550 0.004 0.000 0.247 140 Y C 1.330 177.163 175.900 -0.110 0.000 1.151 140 Y CA 0.236 58.213 58.100 -0.205 0.000 1.238 140 Y CB 0.634 38.914 38.460 -0.300 0.000 1.179 140 Y HN 0.137 nan 8.280 nan 0.000 0.524 141 G N 1.385 110.162 108.800 -0.038 0.000 2.508 141 G HA2 -0.252 3.710 3.960 0.004 0.000 0.220 141 G HA3 -0.252 3.710 3.960 0.004 0.000 0.220 141 G C -0.604 174.129 174.900 -0.277 0.000 1.287 141 G CA -0.627 44.448 45.100 -0.042 0.000 0.916 141 G HN 0.355 nan 8.290 nan 0.000 0.574 142 K N -0.517 119.594 120.400 -0.481 0.000 2.485 142 K HA 0.505 4.827 4.320 0.004 0.000 0.277 142 K C 0.313 176.637 176.600 -0.460 0.000 0.990 142 K CA 0.749 56.489 56.287 -0.911 0.000 0.994 142 K CB 0.831 32.940 32.500 -0.653 0.000 0.906 142 K HN 2.160 nan 8.250 nan 0.000 0.488 143 S N 0.535 115.951 115.700 -0.474 0.000 2.686 143 S HA 0.144 4.617 4.470 0.004 0.000 0.273 143 S C -0.838 173.605 174.600 -0.261 0.000 1.060 143 S CA -0.823 57.217 58.200 -0.267 0.000 0.845 143 S CB 0.635 63.724 63.200 -0.185 0.000 1.086 143 S HN 0.859 nan 8.310 nan 0.000 0.461 144 S N 2.355 117.935 115.700 -0.200 0.000 2.560 144 S HA 0.424 4.896 4.470 0.004 0.000 0.284 144 S C -2.209 172.231 174.600 -0.265 0.000 1.327 144 S CA -0.651 57.431 58.200 -0.198 0.000 1.055 144 S CB -0.103 63.015 63.200 -0.136 0.000 0.868 144 S HN 0.654 nan 8.310 nan 0.000 0.506 145 P HA 0.215 nan 4.420 nan 0.000 0.271 145 P C 0.298 177.347 177.300 -0.417 0.000 1.216 145 P CA 0.562 63.405 63.100 -0.429 0.000 0.771 145 P CB 0.114 31.466 31.700 -0.581 0.000 0.864 146 G N 1.638 110.234 108.800 -0.340 0.000 2.330 146 G HA2 0.190 4.152 3.960 0.004 0.000 0.239 146 G HA3 0.190 4.152 3.960 0.004 0.000 0.239 146 G C 0.201 174.973 174.900 -0.214 0.000 0.818 146 G CA -0.087 44.842 45.100 -0.285 0.000 1.189 146 G HN 1.003 nan 8.290 nan 0.000 0.337 147 G N -0.388 108.277 108.800 -0.224 0.000 2.277 147 G HA2 0.653 4.615 3.960 0.004 0.000 0.272 147 G HA3 0.653 4.615 3.960 0.004 0.000 0.272 147 G C -0.953 173.810 174.900 -0.229 0.000 1.692 147 G CA -0.247 44.735 45.100 -0.197 0.000 0.926 147 G HN 2.105 nan 8.290 nan 0.000 0.720 148 L N 1.837 122.920 121.223 -0.234 0.000 3.882 148 L HA 0.565 4.908 4.340 0.004 0.000 0.266 148 L C -2.080 174.632 176.870 -0.264 0.000 1.003 148 L CA -0.968 53.701 54.840 -0.284 0.000 1.166 148 L CB 1.200 42.965 42.059 -0.490 0.000 1.952 148 L HN 1.055 nan 8.230 nan 0.000 0.567 149 L N 5.235 126.356 121.223 -0.170 0.000 2.287 149 L HA 0.581 4.924 4.340 0.004 0.000 0.287 149 L C -0.904 175.897 176.870 -0.116 0.000 1.022 149 L CA 0.315 55.070 54.840 -0.141 0.000 0.814 149 L CB 1.398 43.395 42.059 -0.102 0.000 1.217 149 L HN 0.706 nan 8.230 nan 0.000 0.420 150 N N 6.428 125.033 118.700 -0.158 0.000 2.354 150 N HA 0.586 5.329 4.740 0.004 0.000 0.287 150 N C -1.353 174.103 175.510 -0.090 0.000 1.016 150 N CA -0.608 52.372 53.050 -0.117 0.000 0.871 150 N CB 1.283 39.659 38.487 -0.185 0.000 1.299 150 N HN 0.743 nan 8.380 nan 0.000 0.482 151 M N 1.853 121.412 119.600 -0.069 0.000 2.253 151 M HA 0.462 4.944 4.480 0.004 0.000 0.314 151 M C -1.000 175.267 176.300 -0.055 0.000 1.019 151 M CA -1.008 54.246 55.300 -0.075 0.000 0.932 151 M CB 1.735 34.276 32.600 -0.099 0.000 1.606 151 M HN -0.083 nan 8.290 nan 0.000 0.430 152 V N 1.824 121.717 119.914 -0.035 0.000 2.509 152 V HA 0.394 4.516 4.120 0.004 0.000 0.284 152 V C 0.466 176.540 176.094 -0.034 0.000 1.047 152 V CA -0.508 61.795 62.300 0.006 0.000 0.952 152 V CB 1.439 33.301 31.823 0.065 0.000 0.988 152 V HN 1.006 nan 8.190 nan 0.000 0.469 153 S N 2.863 118.538 115.700 -0.041 0.000 2.617 153 S HA 0.333 4.805 4.470 0.004 0.000 0.269 153 S C 0.137 174.710 174.600 -0.045 0.000 1.292 153 S CA -0.750 57.412 58.200 -0.064 0.000 1.010 153 S CB 0.605 63.758 63.200 -0.079 0.000 0.944 153 S HN 0.655 nan 8.310 nan 0.000 0.536 154 K N 1.535 121.896 120.400 -0.064 0.000 2.414 154 K HA 0.203 4.525 4.320 0.004 0.000 0.272 154 K C 0.228 176.803 176.600 -0.041 0.000 0.993 154 K CA 0.337 56.582 56.287 -0.069 0.000 0.964 154 K CB 0.398 32.827 32.500 -0.118 0.000 0.925 154 K HN 0.471 nan 8.250 nan 0.000 0.487 155 R N 1.938 122.424 120.500 -0.024 0.000 2.912 155 R HA 0.389 4.731 4.340 0.004 0.000 0.262 155 R C -2.522 173.778 176.300 -0.000 0.000 1.057 155 R CA -2.204 53.895 56.100 -0.002 0.000 0.981 155 R CB 1.014 31.324 30.300 0.016 0.000 1.201 155 R HN 0.395 nan 8.270 nan 0.000 0.484 156 P HA 0.014 nan 4.420 nan 0.000 0.271 156 P C -0.652 176.671 177.300 0.037 0.000 1.233 156 P CA 0.131 63.248 63.100 0.028 0.000 0.789 156 P CB 0.569 32.304 31.700 0.058 0.000 0.951 157 T N -3.841 110.742 114.554 0.049 0.000 2.903 157 T HA 0.337 4.689 4.350 0.004 0.000 0.299 157 T C 0.907 175.650 174.700 0.071 0.000 1.093 157 T CA -0.566 61.564 62.100 0.051 0.000 1.002 157 T CB 0.867 69.756 68.868 0.036 0.000 1.127 157 T HN 0.163 nan 8.240 nan 0.000 0.488 158 T N 1.319 115.912 114.554 0.065 0.000 2.643 158 T HA -0.058 4.294 4.350 0.004 0.000 0.264 158 T C 0.825 175.569 174.700 0.073 0.000 1.045 158 T CA 1.732 63.873 62.100 0.070 0.000 1.155 158 T CB -0.573 68.329 68.868 0.057 0.000 0.863 158 T HN 0.903 nan 8.240 nan 0.000 0.420 159 E N 2.746 122.984 120.200 0.064 0.000 2.390 159 E HA 0.217 4.569 4.350 0.004 0.000 0.261 159 E C -2.820 173.831 176.600 0.085 0.000 1.076 159 E CA -2.028 54.412 56.400 0.067 0.000 0.905 159 E CB -0.044 29.690 29.700 0.056 0.000 0.984 159 E HN 0.120 nan 8.360 nan 0.000 0.427 160 P HA 0.012 nan 4.420 nan 0.000 0.269 160 P C -1.079 176.297 177.300 0.126 0.000 1.217 160 P CA -0.121 63.052 63.100 0.122 0.000 0.783 160 P CB 0.327 32.094 31.700 0.112 0.000 0.898 161 L N 1.749 123.071 121.223 0.166 0.000 2.661 161 L HA 0.382 4.725 4.340 0.004 0.000 0.263 161 L C -1.409 175.644 176.870 0.305 0.000 0.956 161 L CA -0.141 54.801 54.840 0.171 0.000 0.918 161 L CB 1.292 43.415 42.059 0.107 0.000 1.280 161 L HN 0.206 nan 8.230 nan 0.000 0.416 162 K N 4.770 125.376 120.400 0.344 0.000 2.621 162 K HA 0.502 4.825 4.320 0.004 0.000 0.233 162 K C -1.246 175.589 176.600 0.391 0.000 0.972 162 K CA -0.462 56.192 56.287 0.611 0.000 0.988 162 K CB 2.029 34.815 32.500 0.477 0.000 1.187 162 K HN 0.593 nan 8.250 nan 0.000 0.471 163 E N 2.789 123.102 120.200 0.189 0.000 2.263 163 E HA 0.314 4.666 4.350 0.004 0.000 0.268 163 E C -1.187 175.292 176.600 -0.201 0.000 0.884 163 E CA -0.905 55.454 56.400 -0.067 0.000 0.766 163 E CB 1.811 31.471 29.700 -0.066 0.000 1.196 163 E HN 0.340 nan 8.360 nan 0.000 0.416 164 V N 1.216 120.977 119.914 -0.254 0.000 2.628 164 V HA 0.633 4.755 4.120 0.004 0.000 0.306 164 V C -0.733 175.088 176.094 -0.455 0.000 1.045 164 V CA -0.724 61.395 62.300 -0.301 0.000 0.905 164 V CB 1.603 33.268 31.823 -0.263 0.000 0.997 164 V HN 0.808 nan 8.190 nan 0.000 0.436 165 Q N 2.461 121.937 119.800 -0.541 0.000 2.356 165 Q HA 0.658 5.000 4.340 0.004 0.000 0.270 165 Q C -2.236 173.403 176.000 -0.602 0.000 1.058 165 Q CA -0.653 54.846 55.803 -0.507 0.000 0.802 165 Q CB 2.339 30.931 28.738 -0.243 0.000 1.303 165 Q HN 0.792 nan 8.270 nan 0.000 0.444 166 F N 2.207 122.186 119.950 0.049 0.000 2.477 166 F HA 0.514 5.043 4.527 0.004 0.000 0.335 166 F C -0.395 175.434 175.800 0.048 0.000 1.130 166 F CA -0.717 57.326 58.000 0.073 0.000 0.948 166 F CB 1.704 40.785 39.000 0.136 0.000 1.154 166 F HN 0.268 nan 8.300 nan 0.000 0.439 167 K N 2.571 123.097 120.400 0.210 0.000 2.426 167 K HA 0.875 5.198 4.320 0.004 0.000 0.254 167 K C -1.124 175.533 176.600 0.094 0.000 0.936 167 K CA -0.904 55.453 56.287 0.118 0.000 0.801 167 K CB 2.536 35.060 32.500 0.040 0.000 1.139 167 K HN 0.654 nan 8.250 nan 0.000 0.424 168 A N 1.974 124.816 122.820 0.037 0.000 2.359 168 A HA 0.856 5.178 4.320 0.004 0.000 0.303 168 A C -0.484 177.028 177.584 -0.120 0.000 1.066 168 A CA -0.552 51.423 52.037 -0.103 0.000 0.730 168 A CB 1.639 20.604 19.000 -0.058 0.000 1.211 168 A HN 0.795 nan 8.150 nan 0.000 0.439 169 G N 0.005 108.682 108.800 -0.206 0.000 2.921 169 G HA2 0.700 4.662 3.960 0.004 0.000 0.291 169 G HA3 0.700 4.662 3.960 0.004 0.000 0.291 169 G C 0.063 174.869 174.900 -0.156 0.000 1.370 169 G CA 0.215 45.237 45.100 -0.129 0.000 0.847 169 G HN 1.272 nan 8.290 nan 0.000 0.532 170 T N -1.733 112.765 114.554 -0.092 0.000 2.680 170 T HA 0.212 4.565 4.350 0.004 0.000 0.314 170 T C 0.244 174.891 174.700 -0.088 0.000 1.045 170 T CA 0.919 62.970 62.100 -0.080 0.000 1.025 170 T CB 0.263 69.102 68.868 -0.047 0.000 1.000 170 T HN 0.653 nan 8.240 nan 0.000 0.535 171 D N -0.222 120.138 120.400 -0.067 0.000 2.701 171 D HA -0.179 4.463 4.640 0.004 0.000 0.235 171 D C 0.185 176.447 176.300 -0.063 0.000 1.155 171 D CA 1.210 55.178 54.000 -0.054 0.000 0.649 171 D CB -1.822 38.953 40.800 -0.042 0.000 1.050 171 D HN 0.821 nan 8.370 nan 0.000 0.425 172 S N -1.512 114.129 115.700 -0.099 0.000 3.524 172 S HA -0.242 4.230 4.470 0.004 0.000 0.377 172 S C 0.169 174.664 174.600 -0.174 0.000 0.949 172 S CA 0.499 58.621 58.200 -0.130 0.000 1.264 172 S CB -0.786 62.431 63.200 0.029 0.000 0.918 172 S HN 0.516 nan 8.310 nan 0.000 0.517 173 L N 1.504 122.546 121.223 -0.301 0.000 2.292 173 L HA 0.826 5.168 4.340 0.004 0.000 0.284 173 L C -0.724 175.894 176.870 -0.421 0.000 1.065 173 L CA 0.115 54.822 54.840 -0.221 0.000 0.806 173 L CB 0.461 42.434 42.059 -0.143 0.000 1.175 173 L HN 0.138 nan 8.230 nan 0.000 0.431 174 F N 4.121 124.079 119.950 0.014 0.000 2.612 174 F HA 0.506 5.035 4.527 0.004 0.000 0.332 174 F C -0.110 175.708 175.800 0.030 0.000 1.167 174 F CA -0.356 57.663 58.000 0.032 0.000 0.970 174 F CB 1.614 40.637 39.000 0.038 0.000 1.234 174 F HN 0.528 nan 8.300 nan 0.000 0.453 175 Q N 1.530 121.457 119.800 0.211 0.000 2.413 175 Q HA 0.798 5.140 4.340 0.004 0.000 0.276 175 Q C -1.441 174.653 176.000 0.157 0.000 1.099 175 Q CA -0.671 55.202 55.803 0.117 0.000 0.814 175 Q CB 2.580 31.320 28.738 0.004 0.000 1.379 175 Q HN 0.642 nan 8.270 nan 0.000 0.436 176 T N 1.486 116.098 114.554 0.097 0.000 3.143 176 T HA 0.621 4.974 4.350 0.004 0.000 0.312 176 T C -0.904 173.788 174.700 -0.013 0.000 0.986 176 T CA -0.581 61.595 62.100 0.127 0.000 1.024 176 T CB 1.299 70.320 68.868 0.254 0.000 1.030 176 T HN 0.705 nan 8.240 nan 0.000 0.448 177 G N 1.977 110.670 108.800 -0.179 0.000 2.605 177 G HA2 0.870 4.832 3.960 0.004 0.000 0.296 177 G HA3 0.870 4.832 3.960 0.004 0.000 0.296 177 G C -1.629 173.209 174.900 -0.104 0.000 1.304 177 G CA -0.948 43.986 45.100 -0.277 0.000 0.941 177 G HN 0.677 nan 8.290 nan 0.000 0.475 178 F N -0.647 119.174 119.950 -0.216 0.000 2.615 178 F HA 0.740 5.269 4.527 0.003 0.000 0.312 178 F C -1.999 173.620 175.800 -0.301 0.000 1.119 178 F CA -1.628 56.160 58.000 -0.354 0.000 0.979 178 F CB 2.502 41.192 39.000 -0.516 0.000 1.266 178 F HN 0.379 nan 8.300 nan 0.000 0.444 179 D N 3.508 123.634 120.400 -0.456 0.000 2.421 179 D HA 0.469 5.111 4.640 0.004 0.000 0.254 179 D C -1.813 174.306 176.300 -0.301 0.000 1.238 179 D CA -0.102 53.662 54.000 -0.394 0.000 0.919 179 D CB 0.850 41.469 40.800 -0.300 0.000 1.152 179 D HN 0.360 nan 8.370 nan 0.000 0.552 180 F N 1.412 121.378 119.950 0.027 0.000 2.495 180 F HA 0.662 5.192 4.527 0.004 0.000 0.327 180 F C 0.496 176.184 175.800 -0.186 0.000 1.103 180 F CA -0.950 57.061 58.000 0.019 0.000 0.949 180 F CB 2.219 41.292 39.000 0.123 0.000 1.142 180 F HN 0.092 nan 8.300 nan 0.000 0.457 181 S N 1.670 117.409 115.700 0.065 0.000 2.537 181 S HA 0.686 5.158 4.470 0.004 0.000 0.270 181 S C -1.950 172.754 174.600 0.173 0.000 1.142 181 S CA -0.332 57.814 58.200 -0.091 0.000 0.870 181 S CB 1.803 64.981 63.200 -0.036 0.000 1.112 181 S HN 0.755 nan 8.310 nan 0.000 0.466 182 D N 0.268 120.908 120.400 0.400 0.000 2.738 182 D HA 0.453 5.095 4.640 0.004 0.000 0.308 182 D C -1.617 174.856 176.300 0.288 0.000 1.311 182 D CA -0.173 54.060 54.000 0.388 0.000 0.799 182 D CB 1.602 42.648 40.800 0.411 0.000 1.332 182 D HN 0.389 nan 8.370 nan 0.000 0.441 183 S N 0.748 116.527 115.700 0.132 0.000 2.433 183 S HA 0.370 4.842 4.470 0.004 0.000 0.310 183 S C 1.180 175.774 174.600 -0.010 0.000 1.097 183 S CA -0.626 57.615 58.200 0.068 0.000 1.103 183 S CB 1.048 64.293 63.200 0.074 0.000 0.992 183 S HN 0.404 nan 8.310 nan 0.000 0.469 184 L N 1.768 122.961 121.223 -0.050 0.000 2.217 184 L HA 0.039 4.381 4.340 0.004 0.000 0.211 184 L C 1.129 177.959 176.870 -0.067 0.000 1.107 184 L CA 0.822 55.608 54.840 -0.090 0.000 0.783 184 L CB -0.214 41.798 42.059 -0.078 0.000 0.919 184 L HN 0.662 nan 8.230 nan 0.000 0.442 185 D N -1.970 118.401 120.400 -0.049 0.000 2.414 185 D HA 0.058 4.701 4.640 0.004 0.000 0.241 185 D C -0.007 176.275 176.300 -0.030 0.000 1.008 185 D CA -0.510 53.444 54.000 -0.076 0.000 1.001 185 D CB 1.463 42.171 40.800 -0.154 0.000 1.277 185 D HN -0.184 nan 8.370 nan 0.000 0.538 186 D N 0.009 120.390 120.400 -0.032 0.000 2.084 186 D HA -0.136 4.506 4.640 0.004 0.000 0.194 186 D C 0.738 177.041 176.300 0.006 0.000 0.990 186 D CA 1.067 55.061 54.000 -0.010 0.000 0.826 186 D CB 0.011 40.804 40.800 -0.013 0.000 0.971 186 D HN 0.482 nan 8.370 nan 0.000 0.453 187 D N 0.550 120.953 120.400 0.005 0.000 2.348 187 D HA 0.059 4.701 4.640 0.004 0.000 0.248 187 D C 0.729 177.058 176.300 0.048 0.000 1.142 187 D CA 0.250 54.265 54.000 0.025 0.000 0.904 187 D CB -0.197 40.618 40.800 0.026 0.000 0.901 187 D HN 0.195 nan 8.370 nan 0.000 0.523 188 G N 1.395 110.225 108.800 0.051 0.000 2.369 188 G HA2 -0.266 3.696 3.960 0.004 0.000 0.286 188 G HA3 -0.266 3.696 3.960 0.004 0.000 0.286 188 G C 0.792 175.770 174.900 0.131 0.000 0.938 188 G CA 0.606 45.755 45.100 0.081 0.000 1.271 188 G HN 0.383 nan 8.290 nan 0.000 0.488 189 V N 0.692 120.726 119.914 0.201 0.000 2.854 189 V HA 0.395 4.517 4.120 0.004 0.000 0.236 189 V C 1.009 177.434 176.094 0.552 0.000 1.157 189 V CA 0.353 62.862 62.300 0.349 0.000 1.187 189 V CB 0.179 32.257 31.823 0.424 0.000 0.949 189 V HN 0.454 nan 8.190 nan 0.000 0.488 190 Y N 2.933 123.370 120.300 0.229 0.000 2.452 190 Y HA 0.534 5.087 4.550 0.005 0.000 0.348 190 Y C 0.587 176.500 175.900 0.022 0.000 0.985 190 Y CA -0.368 57.875 58.100 0.238 0.000 1.214 190 Y CB 0.824 39.435 38.460 0.251 0.000 1.136 190 Y HN 0.374 nan 8.280 nan 0.000 0.523 191 S N 3.331 119.073 115.700 0.071 0.000 2.715 191 S HA 0.738 5.210 4.470 0.004 0.000 0.307 191 S C -1.303 173.180 174.600 -0.196 0.000 1.119 191 S CA -0.818 57.385 58.200 0.005 0.000 0.937 191 S CB 2.281 65.542 63.200 0.103 0.000 1.150 191 S HN 0.604 nan 8.310 nan 0.000 0.521 192 Y N -0.982 119.170 120.300 -0.247 0.000 2.705 192 Y HA 0.833 5.386 4.550 0.005 0.000 0.332 192 Y C -1.122 174.766 175.900 -0.021 0.000 1.221 192 Y CA -1.778 56.186 58.100 -0.226 0.000 1.059 192 Y CB 0.851 39.160 38.460 -0.251 0.000 1.298 192 Y HN 1.049 nan 8.280 nan 0.000 0.459 193 R N 1.737 122.051 120.500 -0.310 0.000 2.563 193 R HA 0.661 5.003 4.340 0.004 0.000 0.262 193 R C -2.762 173.414 176.300 -0.207 0.000 1.128 193 R CA -0.698 55.193 56.100 -0.348 0.000 0.969 193 R CB 1.734 31.953 30.300 -0.134 0.000 1.251 193 R HN 0.837 nan 8.270 nan 0.000 0.442 194 L N 2.993 124.101 121.223 -0.190 0.000 2.372 194 L HA 0.581 4.923 4.340 0.004 0.000 0.274 194 L C -1.357 175.401 176.870 -0.185 0.000 0.988 194 L CA 0.070 54.897 54.840 -0.022 0.000 0.833 194 L CB 2.368 44.550 42.059 0.205 0.000 1.236 194 L HN 0.697 nan 8.230 nan 0.000 0.410 195 T N 3.191 117.585 114.554 -0.266 0.000 2.812 195 T HA 0.901 5.253 4.350 0.004 0.000 0.282 195 T C -0.154 174.220 174.700 -0.543 0.000 0.990 195 T CA -0.583 61.240 62.100 -0.462 0.000 0.960 195 T CB 1.624 70.355 68.868 -0.228 0.000 0.948 195 T HN 0.815 nan 8.240 nan 0.000 0.438 196 G N 1.773 109.996 108.800 -0.962 0.000 2.677 196 G HA2 0.735 4.697 3.960 0.004 0.000 0.291 196 G HA3 0.735 4.697 3.960 0.004 0.000 0.291 196 G C -2.003 172.737 174.900 -0.267 0.000 1.435 196 G CA -0.902 43.904 45.100 -0.490 0.000 0.826 196 G HN 0.920 nan 8.290 nan 0.000 0.491 197 L N -2.324 118.878 121.223 -0.035 0.000 2.710 197 L HA 0.985 5.327 4.340 0.004 0.000 0.260 197 L C -0.654 176.263 176.870 0.080 0.000 0.993 197 L CA -1.372 53.452 54.840 -0.026 0.000 0.877 197 L CB 1.509 43.428 42.059 -0.233 0.000 1.461 197 L HN 1.468 nan 8.230 nan 0.000 0.413 198 A N 1.338 124.220 122.820 0.103 0.000 2.353 198 A HA 0.920 5.242 4.320 0.004 0.000 0.299 198 A C -0.818 176.788 177.584 0.037 0.000 1.089 198 A CA -0.564 51.576 52.037 0.171 0.000 0.736 198 A CB 1.392 20.623 19.000 0.386 0.000 1.195 198 A HN 0.902 nan 8.150 nan 0.000 0.447 199 R N 1.373 121.805 120.500 -0.113 0.000 2.686 199 R HA 0.727 5.069 4.340 0.004 0.000 0.286 199 R C -1.072 175.171 176.300 -0.096 0.000 0.969 199 R CA -0.123 55.935 56.100 -0.070 0.000 0.898 199 R CB 1.861 32.105 30.300 -0.094 0.000 1.183 199 R HN 0.764 nan 8.270 nan 0.000 0.456 200 S N 2.028 117.745 115.700 0.029 0.000 2.541 200 S HA 0.891 5.363 4.470 0.004 0.000 0.280 200 S C -1.854 172.794 174.600 0.080 0.000 1.112 200 S CA -0.060 58.173 58.200 0.056 0.000 0.925 200 S CB 1.821 65.106 63.200 0.142 0.000 1.067 200 S HN 0.882 nan 8.310 nan 0.000 0.479 201 A N 3.587 126.432 122.820 0.041 0.000 2.590 201 A HA 0.535 4.857 4.320 0.004 0.000 0.294 201 A C -1.414 176.178 177.584 0.013 0.000 1.046 201 A CA -1.010 51.040 52.037 0.022 0.000 0.684 201 A CB 0.655 19.646 19.000 -0.014 0.000 1.279 201 A HN 0.846 nan 8.150 nan 0.000 0.415 202 N N 0.764 119.470 118.700 0.008 0.000 2.518 202 N HA 0.525 5.267 4.740 0.004 0.000 0.283 202 N C 0.237 175.746 175.510 -0.002 0.000 1.119 202 N CA -0.073 52.982 53.050 0.007 0.000 0.983 202 N CB 1.562 40.051 38.487 0.002 0.000 1.139 202 N HN 0.966 nan 8.380 nan 0.000 0.465 203 A N 1.222 124.047 122.820 0.009 0.000 2.445 203 A HA -0.034 4.288 4.320 0.004 0.000 0.242 203 A C 1.399 178.981 177.584 -0.005 0.000 1.075 203 A CA -0.282 51.766 52.037 0.018 0.000 0.777 203 A CB 0.420 19.458 19.000 0.064 0.000 1.013 203 A HN 0.932 nan 8.150 nan 0.000 0.493 204 Q N 0.677 120.474 119.800 -0.006 0.000 2.217 204 Q HA -0.233 4.109 4.340 0.004 0.000 0.209 204 Q C 0.786 176.745 176.000 -0.068 0.000 0.988 204 Q CA 1.788 57.571 55.803 -0.034 0.000 0.878 204 Q CB -0.114 28.609 28.738 -0.025 0.000 0.909 204 Q HN 0.839 nan 8.270 nan 0.000 0.424 205 Q N 0.747 120.495 119.800 -0.086 0.000 2.577 205 Q HA 0.150 4.492 4.340 0.004 0.000 0.183 205 Q C -0.247 175.686 176.000 -0.111 0.000 1.167 205 Q CA 0.572 56.279 55.803 -0.161 0.000 1.234 205 Q CB 0.080 28.642 28.738 -0.292 0.000 1.569 205 Q HN 0.153 nan 8.270 nan 0.000 0.656 206 K N -1.427 118.895 120.400 -0.129 0.000 2.318 206 K HA 0.454 4.776 4.320 0.004 0.000 0.249 206 K C 0.217 176.779 176.600 -0.063 0.000 0.942 206 K CA -0.003 56.228 56.287 -0.095 0.000 0.808 206 K CB 1.784 34.209 32.500 -0.125 0.000 1.189 206 K HN 0.782 nan 8.250 nan 0.000 0.428 207 G N 0.752 109.532 108.800 -0.033 0.000 2.189 207 G HA2 -0.265 3.697 3.960 0.004 0.000 0.267 207 G HA3 -0.265 3.697 3.960 0.004 0.000 0.267 207 G C -0.194 174.720 174.900 0.023 0.000 0.975 207 G CA 0.481 45.577 45.100 -0.007 0.000 0.644 207 G HN 0.457 nan 8.290 nan 0.000 0.537 208 S N 0.642 116.360 115.700 0.029 0.000 2.478 208 S HA 0.599 5.071 4.470 0.004 0.000 0.312 208 S C -0.064 174.561 174.600 0.041 0.000 1.094 208 S CA -0.183 58.052 58.200 0.059 0.000 1.081 208 S CB 1.722 64.992 63.200 0.117 0.000 1.007 208 S HN 0.731 nan 8.310 nan 0.000 0.475 209 E N 1.763 121.985 120.200 0.037 0.000 2.316 209 E HA 0.693 5.045 4.350 0.004 0.000 0.258 209 E C -1.218 175.386 176.600 0.007 0.000 0.952 209 E CA -1.171 55.243 56.400 0.023 0.000 0.818 209 E CB 1.314 31.031 29.700 0.029 0.000 1.260 209 E HN 0.608 nan 8.360 nan 0.000 0.416 210 E N 0.602 120.795 120.200 -0.012 0.000 2.294 210 E HA 0.228 4.580 4.350 0.004 0.000 0.272 210 E C -1.437 175.118 176.600 -0.075 0.000 0.896 210 E CA -0.893 55.478 56.400 -0.048 0.000 0.802 210 E CB 1.343 31.005 29.700 -0.064 0.000 1.267 210 E HN 0.567 nan 8.360 nan 0.000 0.406 211 Q N 3.030 122.762 119.800 -0.113 0.000 2.365 211 Q HA 0.643 4.986 4.340 0.004 0.000 0.269 211 Q C -0.844 174.920 176.000 -0.393 0.000 1.061 211 Q CA -1.140 54.524 55.803 -0.233 0.000 0.816 211 Q CB 3.020 31.659 28.738 -0.165 0.000 1.325 211 Q HN 0.573 nan 8.270 nan 0.000 0.446 212 R N 1.899 122.036 120.500 -0.604 0.000 2.651 212 R HA 0.490 4.832 4.340 0.004 0.000 0.278 212 R C -1.902 173.967 176.300 -0.719 0.000 1.010 212 R CA -0.594 55.184 56.100 -0.537 0.000 0.896 212 R CB 1.602 31.760 30.300 -0.236 0.000 1.211 212 R HN 0.779 nan 8.270 nan 0.000 0.456 213 Y N 1.486 121.792 120.300 0.009 0.000 2.331 213 Y HA 0.690 5.242 4.550 0.004 0.000 0.326 213 Y C -0.432 175.460 175.900 -0.014 0.000 1.020 213 Y CA -0.701 57.405 58.100 0.010 0.000 1.136 213 Y CB 2.445 40.919 38.460 0.023 0.000 1.157 213 Y HN 0.736 nan 8.280 nan 0.000 0.444 214 A N 3.454 126.317 122.820 0.071 0.000 2.427 214 A HA 0.877 5.199 4.320 0.004 0.000 0.298 214 A C -1.682 175.835 177.584 -0.112 0.000 1.036 214 A CA -0.593 51.391 52.037 -0.089 0.000 0.701 214 A CB 0.872 19.768 19.000 -0.173 0.000 1.250 214 A HN 0.563 nan 8.150 nan 0.000 0.412 215 I N 1.649 122.135 120.570 -0.141 0.000 2.418 215 I HA 0.572 4.744 4.170 0.004 0.000 0.287 215 I C 0.445 176.516 176.117 -0.077 0.000 1.008 215 I CA -0.188 61.085 61.300 -0.044 0.000 1.104 215 I CB 2.083 40.153 38.000 0.118 0.000 1.264 215 I HN 0.717 nan 8.210 nan 0.000 0.438 216 A N 8.050 130.837 122.820 -0.056 0.000 2.540 216 A HA 0.785 5.107 4.320 0.004 0.000 0.340 216 A C -2.616 175.027 177.584 0.099 0.000 1.424 216 A CA -1.390 50.679 52.037 0.054 0.000 0.940 216 A CB -0.346 18.747 19.000 0.155 0.000 1.149 216 A HN 0.363 nan 8.150 nan 0.000 0.505 217 P HA 0.525 nan 4.420 nan 0.000 0.293 217 P C -0.568 176.905 177.300 0.289 0.000 1.300 217 P CA -0.026 63.240 63.100 0.277 0.000 0.792 217 P CB 1.696 33.649 31.700 0.421 0.000 0.925 218 A N 3.779 126.757 122.820 0.264 0.000 2.427 218 A HA 0.702 5.024 4.320 0.004 0.000 0.298 218 A C -1.706 176.100 177.584 0.369 0.000 1.036 218 A CA -0.560 51.646 52.037 0.282 0.000 0.701 218 A CB 0.838 19.904 19.000 0.110 0.000 1.250 218 A HN 0.477 nan 8.150 nan 0.000 0.412 219 F N 1.391 121.564 119.950 0.371 0.000 2.522 219 F HA 0.721 5.250 4.527 0.003 0.000 0.324 219 F C 0.035 175.995 175.800 0.267 0.000 1.077 219 F CA -0.044 58.153 58.000 0.328 0.000 0.944 219 F CB 2.336 41.526 39.000 0.315 0.000 1.175 219 F HN 0.473 nan 8.300 nan 0.000 0.468 220 T N 4.433 119.292 114.554 0.507 0.000 2.881 220 T HA 0.161 4.513 4.350 0.004 0.000 0.291 220 T C -1.995 173.063 174.700 0.596 0.000 0.990 220 T CA -0.296 62.083 62.100 0.465 0.000 0.976 220 T CB 0.738 69.740 68.868 0.222 0.000 0.970 220 T HN 0.525 nan 8.240 nan 0.000 0.438 221 W N 4.348 125.872 121.300 0.373 0.000 2.529 221 W HA 0.609 5.269 4.660 0.001 0.000 0.321 221 W C -0.573 176.042 176.519 0.159 0.000 1.047 221 W CA -1.746 55.729 57.345 0.218 0.000 1.216 221 W CB 0.783 30.318 29.460 0.126 0.000 1.357 221 W HN 0.538 nan 8.180 nan 0.000 0.489 222 R N 6.411 126.972 120.500 0.102 0.000 2.644 222 R HA 0.178 4.520 4.340 0.004 0.000 0.271 222 R C -2.023 174.165 176.300 -0.187 0.000 1.687 222 R CA -1.362 54.668 56.100 -0.118 0.000 1.655 222 R CB 1.172 31.483 30.300 0.019 0.000 1.285 222 R HN 0.160 nan 8.270 nan 0.000 0.643 223 P HA -0.281 nan 4.420 nan 0.000 0.218 223 P C -0.144 177.078 177.300 -0.130 0.000 1.154 223 P CA 1.812 64.726 63.100 -0.309 0.000 0.872 223 P CB 0.287 31.643 31.700 -0.574 0.000 0.790 224 D N -2.996 117.296 120.400 -0.181 0.000 3.124 224 D HA 0.106 4.748 4.640 0.004 0.000 0.238 224 D C 0.153 176.384 176.300 -0.115 0.000 1.319 224 D CA -0.423 53.506 54.000 -0.118 0.000 1.057 224 D CB -0.542 40.177 40.800 -0.135 0.000 1.244 224 D HN -0.052 nan 8.370 nan 0.000 0.634 225 D N -1.577 118.753 120.400 -0.117 0.000 2.503 225 D HA 0.119 4.761 4.640 0.004 0.000 0.218 225 D C 0.138 176.355 176.300 -0.139 0.000 1.183 225 D CA -0.151 53.790 54.000 -0.099 0.000 0.827 225 D CB 0.376 41.145 40.800 -0.052 0.000 1.034 225 D HN 0.304 nan 8.370 nan 0.000 0.510 226 K N 0.366 120.632 120.400 -0.222 0.000 2.564 226 K HA 0.240 4.562 4.320 0.004 0.000 0.205 226 K C -0.493 175.791 176.600 -0.527 0.000 1.053 226 K CA -0.082 56.027 56.287 -0.297 0.000 1.072 226 K CB 1.453 33.794 32.500 -0.266 0.000 0.822 226 K HN -0.113 nan 8.250 nan 0.000 0.497 227 T N 0.694 114.978 114.554 -0.450 0.000 3.193 227 T HA 0.222 4.574 4.350 0.004 0.000 0.332 227 T C -1.634 172.842 174.700 -0.373 0.000 1.208 227 T CA -0.874 60.902 62.100 -0.539 0.000 1.080 227 T CB 1.841 70.336 68.868 -0.623 0.000 1.180 227 T HN 0.079 nan 8.240 nan 0.000 0.469 228 N N 1.830 120.300 118.700 -0.383 0.000 2.284 228 N HA 0.663 5.405 4.740 0.004 0.000 0.289 228 N C -2.033 173.431 175.510 -0.078 0.000 1.179 228 N CA -0.663 52.272 53.050 -0.192 0.000 0.774 228 N CB 2.316 40.697 38.487 -0.177 0.000 1.548 228 N HN 0.605 nan 8.380 nan 0.000 0.473 229 F N 1.431 121.393 119.950 0.020 0.000 2.915 229 F HA 0.373 4.903 4.527 0.004 0.000 0.350 229 F C -1.411 174.562 175.800 0.289 0.000 1.248 229 F CA -0.217 57.915 58.000 0.219 0.000 1.084 229 F CB 1.189 40.411 39.000 0.370 0.000 1.391 229 F HN 0.225 nan 8.300 nan 0.000 0.548 230 T N 6.905 121.265 114.554 -0.323 0.000 2.809 230 T HA 0.285 4.638 4.350 0.004 0.000 0.296 230 T C -0.916 173.686 174.700 -0.164 0.000 1.015 230 T CA -0.307 61.717 62.100 -0.127 0.000 0.954 230 T CB 0.493 69.348 68.868 -0.021 0.000 0.950 230 T HN 0.434 nan 8.240 nan 0.000 0.450 231 F N 5.074 124.961 119.950 -0.106 0.000 2.506 231 F HA 0.477 5.006 4.527 0.004 0.000 0.371 231 F C -0.787 175.066 175.800 0.089 0.000 1.078 231 F CA -0.907 57.110 58.000 0.028 0.000 1.195 231 F CB 0.129 39.246 39.000 0.194 0.000 1.099 231 F HN 0.399 nan 8.300 nan 0.000 0.548 232 L N 7.117 128.003 121.223 -0.562 0.000 2.377 232 L HA 0.427 4.769 4.340 0.004 0.000 0.270 232 L C -0.421 176.076 176.870 -0.622 0.000 0.991 232 L CA -0.524 54.060 54.840 -0.427 0.000 0.851 232 L CB 1.360 43.281 42.059 -0.230 0.000 1.218 232 L HN 0.686 nan 8.230 nan 0.000 0.420 233 S N 1.825 117.202 115.700 -0.539 0.000 2.648 233 S HA 0.797 5.270 4.470 0.004 0.000 0.305 233 S C -1.169 173.304 174.600 -0.211 0.000 1.094 233 S CA -0.772 57.170 58.200 -0.430 0.000 0.983 233 S CB 2.357 65.482 63.200 -0.124 0.000 1.101 233 S HN 0.486 nan 8.310 nan 0.000 0.514 234 Y N 0.399 120.298 120.300 -0.667 0.000 2.376 234 Y HA 0.566 5.118 4.550 0.003 0.000 0.321 234 Y C -2.462 173.007 175.900 -0.718 0.000 1.189 234 Y CA -1.093 56.737 58.100 -0.449 0.000 1.069 234 Y CB 1.183 39.481 38.460 -0.271 0.000 1.292 234 Y HN 0.774 nan 8.280 nan 0.000 0.430 235 F N 5.088 124.856 119.950 -0.303 0.000 2.539 235 F HA 0.480 5.009 4.527 0.003 0.000 0.328 235 F C -0.560 175.065 175.800 -0.291 0.000 1.148 235 F CA -0.610 57.304 58.000 -0.143 0.000 0.940 235 F CB 2.107 41.085 39.000 -0.036 0.000 1.194 235 F HN 0.454 nan 8.300 nan 0.000 0.438 236 Q N 3.135 122.946 119.800 0.017 0.000 2.304 236 Q HA 0.457 4.800 4.340 0.004 0.000 0.270 236 Q C -1.799 174.264 176.000 0.105 0.000 1.035 236 Q CA -0.791 55.022 55.803 0.017 0.000 0.781 236 Q CB 2.111 30.913 28.738 0.106 0.000 1.261 236 Q HN 0.693 nan 8.270 nan 0.000 0.444 237 N N 2.706 121.478 118.700 0.121 0.000 2.314 237 N HA 0.295 5.037 4.740 0.004 0.000 0.294 237 N C -1.829 173.753 175.510 0.120 0.000 1.029 237 N CA -0.297 52.838 53.050 0.141 0.000 0.845 237 N CB 1.688 40.281 38.487 0.177 0.000 1.321 237 N HN 0.581 nan 8.380 nan 0.000 0.481 238 E N 3.466 123.708 120.200 0.070 0.000 2.279 238 E HA 0.270 4.622 4.350 0.004 0.000 0.252 238 E C -2.093 174.529 176.600 0.036 0.000 0.894 238 E CA -1.652 54.750 56.400 0.004 0.000 0.785 238 E CB 2.244 31.914 29.700 -0.049 0.000 1.237 238 E HN 0.496 nan 8.360 nan 0.000 0.418 239 P HA -0.060 nan 4.420 nan 0.000 0.229 239 P C -0.510 176.813 177.300 0.038 0.000 1.160 239 P CA 0.889 64.032 63.100 0.071 0.000 0.777 239 P CB 0.461 32.229 31.700 0.114 0.000 0.814 240 E N -1.885 118.318 120.200 0.006 0.000 2.304 240 E HA 0.171 4.523 4.350 0.004 0.000 0.277 240 E C 0.163 176.727 176.600 -0.060 0.000 0.898 240 E CA 0.007 56.404 56.400 -0.004 0.000 0.764 240 E CB 1.614 31.318 29.700 0.007 0.000 1.216 240 E HN -0.082 nan 8.360 nan 0.000 0.419 241 T N -1.093 113.404 114.554 -0.095 0.000 3.023 241 T HA 0.444 4.796 4.350 0.004 0.000 0.253 241 T C 0.886 175.449 174.700 -0.228 0.000 1.038 241 T CA 0.511 62.473 62.100 -0.230 0.000 0.962 241 T CB 0.423 69.024 68.868 -0.445 0.000 1.018 241 T HN 0.799 nan 8.240 nan 0.000 0.521 242 G N 0.986 109.721 108.800 -0.108 0.000 2.549 242 G HA2 -0.022 3.940 3.960 0.004 0.000 0.404 242 G HA3 -0.022 3.940 3.960 0.004 0.000 0.404 242 G C -0.767 174.162 174.900 0.049 0.000 1.292 242 G CA -0.552 44.533 45.100 -0.025 0.000 0.935 242 G HN 0.599 nan 8.290 nan 0.000 0.512 243 Y N -0.212 120.100 120.300 0.020 0.000 2.511 243 Y HA 0.482 5.034 4.550 0.004 0.000 0.347 243 Y C 0.671 176.689 175.900 0.196 0.000 1.257 243 Y CA 1.027 59.195 58.100 0.114 0.000 1.469 243 Y CB 0.625 39.158 38.460 0.123 0.000 1.353 243 Y HN 1.181 nan 8.280 nan 0.000 0.617 244 Y N 3.317 123.063 120.300 -0.924 0.000 3.321 244 Y HA 0.309 4.861 4.550 0.004 0.000 0.234 244 Y C 0.017 175.594 175.900 -0.537 0.000 0.930 244 Y CA -0.280 57.438 58.100 -0.635 0.000 1.217 244 Y CB -0.163 38.154 38.460 -0.238 0.000 1.278 244 Y HN 0.768 nan 8.280 nan 0.000 0.689 245 G N 0.048 108.204 108.800 -1.073 0.000 2.531 245 G HA2 0.424 4.387 3.960 0.004 0.000 0.281 245 G HA3 0.424 4.387 3.960 0.004 0.000 0.281 245 G C -1.285 173.892 174.900 0.462 0.000 1.382 245 G CA -0.332 44.686 45.100 -0.136 0.000 1.045 245 G HN 0.122 nan 8.290 nan 0.000 0.533 246 W N -0.563 120.956 121.300 0.365 0.000 2.785 246 W HA 0.644 5.306 4.660 0.004 0.000 0.333 246 W C -0.808 175.849 176.519 0.230 0.000 1.062 246 W CA -1.072 56.442 57.345 0.283 0.000 1.233 246 W CB 1.180 30.804 29.460 0.274 0.000 1.413 246 W HN 0.153 nan 8.180 nan 0.000 0.489 247 L N 5.485 126.873 121.223 0.275 0.000 2.341 247 L HA 0.474 4.817 4.340 0.004 0.000 0.278 247 L C -1.908 174.923 176.870 -0.065 0.000 1.005 247 L CA -2.116 52.804 54.840 0.135 0.000 0.818 247 L CB 2.384 44.507 42.059 0.106 0.000 1.259 247 L HN 0.019 nan 8.230 nan 0.000 0.418 248 P HA 0.067 nan 4.420 nan 0.000 0.271 248 P C -0.250 176.914 177.300 -0.225 0.000 1.218 248 P CA -0.491 62.534 63.100 -0.126 0.000 0.780 248 P CB 0.807 32.477 31.700 -0.051 0.000 0.901 249 K N 1.137 121.338 120.400 -0.332 0.000 2.280 249 K HA -0.109 4.214 4.320 0.004 0.000 0.202 249 K C 0.175 176.618 176.600 -0.262 0.000 1.047 249 K CA 1.206 57.272 56.287 -0.368 0.000 0.942 249 K CB -0.430 31.674 32.500 -0.660 0.000 0.739 249 K HN 0.261 nan 8.250 nan 0.000 0.457 250 E N 1.064 121.135 120.200 -0.215 0.000 2.323 250 E HA 0.116 4.468 4.350 0.004 0.000 0.313 250 E C 0.328 176.866 176.600 -0.103 0.000 1.236 250 E CA 0.523 56.842 56.400 -0.135 0.000 1.333 250 E CB 0.159 29.801 29.700 -0.096 0.000 1.138 250 E HN 0.589 nan 8.360 nan 0.000 0.492 251 G N 0.113 108.852 108.800 -0.101 0.000 3.288 251 G HA2 -0.186 3.776 3.960 0.004 0.000 0.219 251 G HA3 -0.186 3.776 3.960 0.004 0.000 0.219 251 G C 0.872 175.758 174.900 -0.022 0.000 0.944 251 G CA 0.221 45.280 45.100 -0.069 0.000 0.854 251 G HN 0.481 nan 8.290 nan 0.000 0.632 252 T N -2.804 111.677 114.554 -0.121 0.000 3.426 252 T HA 0.314 4.666 4.350 0.004 0.000 0.195 252 T C 1.942 176.502 174.700 -0.234 0.000 0.963 252 T CA 1.389 63.322 62.100 -0.278 0.000 1.154 252 T CB -0.143 68.352 68.868 -0.621 0.000 1.377 252 T HN 0.377 nan 8.240 nan 0.000 0.342 253 V N 2.175 121.947 119.914 -0.236 0.000 2.261 253 V HA 0.063 4.185 4.120 0.004 0.000 0.246 253 V C 1.189 177.255 176.094 -0.046 0.000 1.047 253 V CA 1.519 63.756 62.300 -0.105 0.000 1.015 253 V CB -0.789 31.026 31.823 -0.012 0.000 0.642 253 V HN 0.564 nan 8.190 nan 0.000 0.446 254 E N 0.243 120.396 120.200 -0.077 0.000 2.214 254 E HA 0.343 4.695 4.350 0.004 0.000 0.274 254 E C -2.508 174.068 176.600 -0.040 0.000 0.977 254 E CA -2.144 54.224 56.400 -0.052 0.000 0.827 254 E CB 1.324 30.971 29.700 -0.088 0.000 1.130 254 E HN 0.258 nan 8.360 nan 0.000 0.394 255 P HA 0.097 nan 4.420 nan 0.000 0.275 255 P C -0.634 176.661 177.300 -0.009 0.000 1.266 255 P CA -0.226 62.875 63.100 0.001 0.000 0.793 255 P CB 0.621 32.329 31.700 0.013 0.000 1.074 256 L N 1.688 122.911 121.223 0.000 0.000 2.387 256 L HA 0.308 4.650 4.340 0.004 0.000 0.266 256 L C -1.307 175.580 176.870 0.028 0.000 1.059 256 L CA -1.914 52.931 54.840 0.009 0.000 0.801 256 L CB 0.844 42.906 42.059 0.005 0.000 1.223 256 L HN 0.305 nan 8.230 nan 0.000 0.456 257 P HA -0.186 nan 4.420 nan 0.000 0.216 257 P C 0.709 178.043 177.300 0.057 0.000 1.154 257 P CA 1.376 64.515 63.100 0.065 0.000 0.865 257 P CB -0.004 31.764 31.700 0.113 0.000 0.789 258 N N -1.539 117.194 118.700 0.055 0.000 2.443 258 N HA -0.096 4.647 4.740 0.004 0.000 0.184 258 N C 1.625 177.144 175.510 0.016 0.000 1.037 258 N CA 1.714 54.779 53.050 0.025 0.000 0.896 258 N CB -0.569 37.911 38.487 -0.011 0.000 0.959 258 N HN 0.298 nan 8.380 nan 0.000 0.442 259 G N 0.244 109.054 108.800 0.017 0.000 2.284 259 G HA2 -0.239 3.723 3.960 0.004 0.000 0.216 259 G HA3 -0.239 3.723 3.960 0.004 0.000 0.216 259 G C 0.021 174.929 174.900 0.013 0.000 1.009 259 G CA -0.150 44.959 45.100 0.015 0.000 0.625 259 G HN 0.361 nan 8.290 nan 0.000 0.501 260 K N 0.728 121.131 120.400 0.005 0.000 2.098 260 K HA 0.689 5.011 4.320 0.004 0.000 0.257 260 K C 0.391 176.996 176.600 0.007 0.000 0.999 260 K CA -0.517 55.773 56.287 0.005 0.000 0.924 260 K CB 0.958 33.454 32.500 -0.007 0.000 1.028 260 K HN 0.197 nan 8.250 nan 0.000 0.466 261 R N 0.984 121.500 120.500 0.027 0.000 2.732 261 R HA 0.331 4.673 4.340 0.004 0.000 0.278 261 R C -0.562 175.760 176.300 0.036 0.000 0.976 261 R CA -1.137 54.997 56.100 0.057 0.000 0.963 261 R CB 0.756 31.148 30.300 0.153 0.000 1.150 261 R HN 0.253 nan 8.270 nan 0.000 0.478 262 L N 3.353 124.591 121.223 0.024 0.000 2.483 262 L HA 0.133 4.475 4.340 0.004 0.000 0.276 262 L C -1.724 175.147 176.870 0.003 0.000 1.213 262 L CA -0.786 54.009 54.840 -0.074 0.000 0.843 262 L CB -0.155 41.714 42.059 -0.316 0.000 1.107 262 L HN 0.419 nan 8.230 nan 0.000 0.487 263 P HA 0.046 nan 4.420 nan 0.000 0.272 263 P C 0.468 177.468 177.300 -0.500 0.000 1.230 263 P CA -0.317 62.655 63.100 -0.213 0.000 0.788 263 P CB 0.493 32.146 31.700 -0.078 0.000 0.949 264 T N -2.285 111.740 114.554 -0.882 0.000 2.977 264 T HA -0.178 4.175 4.350 0.004 0.000 0.271 264 T C 0.785 175.180 174.700 -0.510 0.000 1.105 264 T CA 1.495 62.857 62.100 -1.229 0.000 1.116 264 T CB -1.012 67.314 68.868 -0.903 0.000 0.878 264 T HN 0.485 nan 8.240 nan 0.000 0.509 265 D N -0.680 119.554 120.400 -0.277 0.000 2.340 265 D HA 0.179 4.821 4.640 0.004 0.000 0.217 265 D C 0.290 176.535 176.300 -0.091 0.000 1.081 265 D CA -0.877 53.029 54.000 -0.156 0.000 0.842 265 D CB -0.709 40.013 40.800 -0.129 0.000 0.934 265 D HN 0.414 nan 8.370 nan 0.000 0.511 266 F N 1.762 121.617 119.950 -0.158 0.000 2.633 266 F HA 0.175 4.704 4.527 0.004 0.000 0.338 266 F C 0.352 176.090 175.800 -0.103 0.000 1.206 266 F CA 0.461 58.416 58.000 -0.075 0.000 1.378 266 F CB 0.413 39.423 39.000 0.018 0.000 1.116 266 F HN 0.028 nan 8.300 nan 0.000 0.615 267 N N 1.824 120.028 118.700 -0.827 0.000 2.699 267 N HA 0.120 4.862 4.740 0.004 0.000 0.271 267 N C -0.772 174.499 175.510 -0.399 0.000 1.216 267 N CA -0.533 52.272 53.050 -0.409 0.000 0.844 267 N CB 0.653 38.965 38.487 -0.292 0.000 1.462 267 N HN 0.515 nan 8.380 nan 0.000 0.555 268 E N 1.357 121.614 120.200 0.094 0.000 2.526 268 E HA 0.148 4.500 4.350 0.004 0.000 0.198 268 E C 1.042 177.718 176.600 0.126 0.000 1.091 268 E CA -0.225 56.306 56.400 0.217 0.000 0.880 268 E CB -0.046 29.894 29.700 0.400 0.000 0.873 268 E HN 0.505 nan 8.360 nan 0.000 0.527 269 G N 0.089 108.949 108.800 0.101 0.000 2.557 269 G HA2 0.553 4.515 3.960 0.004 0.000 0.292 269 G HA3 0.553 4.515 3.960 0.004 0.000 0.292 269 G C -0.684 174.239 174.900 0.038 0.000 1.237 269 G CA -0.537 44.623 45.100 0.101 0.000 0.978 269 G HN 0.313 nan 8.290 nan 0.000 0.498 270 A N -0.343 122.508 122.820 0.052 0.000 2.292 270 A HA 0.497 4.820 4.320 0.004 0.000 0.319 270 A C 1.373 179.006 177.584 0.081 0.000 1.206 270 A CA -0.371 51.697 52.037 0.052 0.000 0.835 270 A CB 1.076 20.100 19.000 0.041 0.000 1.164 270 A HN 0.852 nan 8.150 nan 0.000 0.505 271 K N 2.089 122.521 120.400 0.053 0.000 2.227 271 K HA -0.270 4.052 4.320 0.004 0.000 0.208 271 K C 0.920 177.570 176.600 0.082 0.000 1.045 271 K CA 2.485 58.803 56.287 0.050 0.000 0.931 271 K CB -0.296 32.223 32.500 0.032 0.000 0.721 271 K HN 0.924 nan 8.250 nan 0.000 0.469 272 N N -0.520 118.259 118.700 0.132 0.000 2.251 272 N HA 0.008 4.750 4.740 0.004 0.000 0.217 272 N C -0.745 174.891 175.510 0.211 0.000 1.124 272 N CA -0.608 52.545 53.050 0.172 0.000 0.843 272 N CB 0.071 38.682 38.487 0.206 0.000 1.024 272 N HN 0.031 nan 8.380 nan 0.000 0.501 273 N N 0.871 119.679 118.700 0.180 0.000 2.479 273 N HA 0.075 4.817 4.740 0.004 0.000 0.257 273 N C -0.620 174.905 175.510 0.024 0.000 1.232 273 N CA 0.519 53.630 53.050 0.102 0.000 0.920 273 N CB 1.356 39.916 38.487 0.121 0.000 1.105 273 N HN 0.164 nan 8.380 nan 0.000 0.444 274 T N 0.838 115.344 114.554 -0.080 0.000 2.916 274 T HA 0.480 4.833 4.350 0.004 0.000 0.305 274 T C -2.085 172.569 174.700 -0.077 0.000 1.119 274 T CA -0.473 61.597 62.100 -0.050 0.000 1.008 274 T CB 0.392 69.215 68.868 -0.075 0.000 1.129 274 T HN 0.329 nan 8.240 nan 0.000 0.480 275 Y N 2.266 122.501 120.300 -0.108 0.000 2.315 275 Y HA 0.597 5.150 4.550 0.004 0.000 0.324 275 Y C -0.502 175.329 175.900 -0.116 0.000 1.062 275 Y CA -0.723 57.293 58.100 -0.140 0.000 1.159 275 Y CB 1.850 40.212 38.460 -0.163 0.000 1.145 275 Y HN 0.709 nan 8.280 nan 0.000 0.442 276 S N 5.221 121.012 115.700 0.152 0.000 2.568 276 S HA 0.746 5.218 4.470 0.004 0.000 0.302 276 S C -1.123 173.542 174.600 0.108 0.000 1.082 276 S CA -0.942 57.313 58.200 0.091 0.000 1.009 276 S CB 2.171 65.397 63.200 0.044 0.000 1.069 276 S HN 0.536 nan 8.310 nan 0.000 0.500 277 R N 2.639 123.179 120.500 0.067 0.000 2.542 277 R HA 0.218 4.560 4.340 0.004 0.000 0.284 277 R C -2.087 174.253 176.300 0.066 0.000 1.167 277 R CA -0.280 55.861 56.100 0.068 0.000 1.000 277 R CB 1.058 31.376 30.300 0.030 0.000 1.229 277 R HN 0.802 nan 8.270 nan 0.000 0.416 278 N N 3.604 122.353 118.700 0.081 0.000 2.407 278 N HA 0.214 4.956 4.740 0.004 0.000 0.277 278 N C -1.367 174.202 175.510 0.097 0.000 0.995 278 N CA -0.213 52.894 53.050 0.094 0.000 0.903 278 N CB 1.592 40.137 38.487 0.097 0.000 1.218 278 N HN 0.622 nan 8.380 nan 0.000 0.487 279 E N 2.464 122.730 120.200 0.110 0.000 2.234 279 E HA 0.493 4.846 4.350 0.004 0.000 0.266 279 E C -1.147 175.529 176.600 0.127 0.000 0.877 279 E CA -0.907 55.553 56.400 0.099 0.000 0.758 279 E CB 2.109 31.863 29.700 0.090 0.000 1.170 279 E HN 0.380 nan 8.360 nan 0.000 0.415 280 K N 3.766 124.221 120.400 0.091 0.000 2.507 280 K HA 0.520 4.842 4.320 0.004 0.000 0.251 280 K C -0.734 175.824 176.600 -0.071 0.000 0.943 280 K CA -0.588 55.749 56.287 0.083 0.000 0.794 280 K CB 1.881 34.586 32.500 0.340 0.000 1.188 280 K HN 0.626 nan 8.250 nan 0.000 0.428 281 M N 0.008 119.434 119.600 -0.290 0.000 2.484 281 M HA 0.678 5.160 4.480 0.004 0.000 0.289 281 M C -0.892 175.249 176.300 -0.266 0.000 1.206 281 M CA -1.270 53.907 55.300 -0.206 0.000 0.892 281 M CB 2.141 34.633 32.600 -0.180 0.000 1.712 281 M HN 0.305 nan 8.290 nan 0.000 0.462 282 V N -1.061 118.821 119.914 -0.053 0.000 2.808 282 V HA 1.092 5.214 4.120 0.004 0.000 0.308 282 V C -0.500 175.601 176.094 0.011 0.000 1.099 282 V CA 0.120 62.394 62.300 -0.043 0.000 0.920 282 V CB 1.135 33.108 31.823 0.250 0.000 1.014 282 V HN 1.311 nan 8.190 nan 0.000 0.425 283 G N 2.439 111.150 108.800 -0.149 0.000 2.550 283 G HA2 0.727 4.689 3.960 0.004 0.000 0.293 283 G HA3 0.727 4.689 3.960 0.004 0.000 0.293 283 G C -1.874 172.989 174.900 -0.061 0.000 1.402 283 G CA -0.212 44.850 45.100 -0.064 0.000 0.784 283 G HN 1.937 nan 8.290 nan 0.000 0.482 284 Y N -1.432 118.852 120.300 -0.027 0.000 2.576 284 Y HA 0.852 5.405 4.550 0.005 0.000 0.346 284 Y C -0.299 175.531 175.900 -0.117 0.000 1.018 284 Y CA -1.672 56.343 58.100 -0.140 0.000 1.050 284 Y CB 2.140 40.536 38.460 -0.107 0.000 1.280 284 Y HN 0.697 nan 8.280 nan 0.000 0.474 285 S N 3.574 119.296 115.700 0.037 0.000 2.669 285 S HA 0.560 5.033 4.470 0.004 0.000 0.315 285 S C -1.722 172.948 174.600 0.118 0.000 1.106 285 S CA -0.488 57.721 58.200 0.014 0.000 1.107 285 S CB -0.204 62.905 63.200 -0.151 0.000 0.990 285 S HN 0.639 nan 8.310 nan 0.000 0.471 286 F N 4.361 124.407 119.950 0.160 0.000 2.458 286 F HA 0.715 5.244 4.527 0.003 0.000 0.330 286 F C -0.401 175.431 175.800 0.054 0.000 1.082 286 F CA -0.553 57.553 58.000 0.176 0.000 0.995 286 F CB 1.370 40.572 39.000 0.337 0.000 1.170 286 F HN 0.567 nan 8.300 nan 0.000 0.478 287 D N 3.655 123.571 120.400 -0.807 0.000 2.966 287 D HA 0.166 4.808 4.640 0.004 0.000 0.222 287 D C -2.264 173.573 176.300 -0.771 0.000 1.292 287 D CA -0.243 53.419 54.000 -0.564 0.000 0.907 287 D CB 1.291 41.860 40.800 -0.386 0.000 1.621 287 D HN 0.725 nan 8.370 nan 0.000 0.557 288 H N 2.463 121.194 119.070 -0.564 0.000 2.877 288 H HA 0.285 4.843 4.556 0.003 0.000 0.347 288 H C -1.501 173.558 175.328 -0.447 0.000 1.042 288 H CA -0.356 55.368 56.048 -0.539 0.000 1.276 288 H CB 1.690 31.143 29.762 -0.514 0.000 1.681 288 H HN 0.516 nan 8.280 nan 0.000 0.521 289 E N 4.849 124.975 120.200 -0.123 0.000 2.081 289 E HA 0.143 4.495 4.350 0.004 0.000 0.276 289 E C -0.059 176.598 176.600 0.096 0.000 0.950 289 E CA -0.493 55.909 56.400 0.004 0.000 0.776 289 E CB 0.471 30.152 29.700 -0.032 0.000 1.094 289 E HN 0.455 nan 8.360 nan 0.000 0.402 290 F N 3.464 123.611 119.950 0.329 0.000 2.293 290 F HA 0.040 4.569 4.527 0.003 0.000 0.297 290 F C 1.038 176.950 175.800 0.187 0.000 1.089 290 F CA 0.496 58.658 58.000 0.269 0.000 1.377 290 F CB 0.112 39.234 39.000 0.203 0.000 1.051 290 F HN 0.511 nan 8.300 nan 0.000 0.511 291 N N -2.107 116.784 118.700 0.317 0.000 3.836 291 N HA -0.081 4.661 4.740 0.004 0.000 0.229 291 N C -0.629 174.949 175.510 0.113 0.000 1.375 291 N CA -0.311 52.848 53.050 0.181 0.000 0.838 291 N CB 0.366 38.954 38.487 0.168 0.000 1.447 291 N HN -0.192 nan 8.380 nan 0.000 0.458 292 D N -0.091 120.345 120.400 0.059 0.000 2.369 292 D HA -0.170 4.472 4.640 0.004 0.000 0.213 292 D C 1.499 177.796 176.300 -0.004 0.000 0.982 292 D CA 2.493 56.509 54.000 0.028 0.000 0.931 292 D CB 0.039 40.849 40.800 0.016 0.000 0.889 292 D HN 0.745 nan 8.370 nan 0.000 0.487 293 T N -2.849 111.675 114.554 -0.049 0.000 3.151 293 T HA 0.063 4.415 4.350 0.004 0.000 0.239 293 T C 0.572 175.189 174.700 -0.138 0.000 0.979 293 T CA -0.381 61.603 62.100 -0.193 0.000 1.194 293 T CB -0.026 68.551 68.868 -0.484 0.000 0.982 293 T HN -0.186 nan 8.240 nan 0.000 0.428 294 F N 2.805 122.864 119.950 0.182 0.000 2.404 294 F HA 0.704 5.233 4.527 0.003 0.000 0.345 294 F C 0.317 176.306 175.800 0.315 0.000 1.110 294 F CA -0.725 57.416 58.000 0.235 0.000 1.130 294 F CB 1.426 40.558 39.000 0.220 0.000 1.129 294 F HN 0.106 nan 8.300 nan 0.000 0.500 295 T N 2.713 117.557 114.554 0.483 0.000 2.933 295 T HA 0.546 4.898 4.350 0.004 0.000 0.305 295 T C -1.342 173.537 174.700 0.297 0.000 1.092 295 T CA -0.671 61.617 62.100 0.314 0.000 1.008 295 T CB 2.117 71.099 68.868 0.189 0.000 1.102 295 T HN 0.442 nan 8.240 nan 0.000 0.469 296 V N 3.187 123.242 119.914 0.235 0.000 2.735 296 V HA 0.784 4.907 4.120 0.004 0.000 0.310 296 V C -1.091 175.137 176.094 0.224 0.000 1.061 296 V CA -0.649 61.808 62.300 0.263 0.000 0.913 296 V CB 1.790 33.837 31.823 0.373 0.000 1.005 296 V HN 0.830 nan 8.190 nan 0.000 0.428 297 R N 3.717 124.356 120.500 0.231 0.000 2.930 297 R HA 0.761 5.103 4.340 0.004 0.000 0.257 297 R C -1.531 174.947 176.300 0.297 0.000 1.107 297 R CA -0.898 55.332 56.100 0.216 0.000 0.999 297 R CB 2.232 32.595 30.300 0.104 0.000 1.209 297 R HN 0.759 nan 8.270 nan 0.000 0.486 298 Q N 1.047 121.029 119.800 0.304 0.000 2.507 298 Q HA 0.210 4.552 4.340 0.004 0.000 0.242 298 Q C -2.101 174.033 176.000 0.225 0.000 0.911 298 Q CA -0.309 55.674 55.803 0.299 0.000 1.019 298 Q CB 1.502 30.489 28.738 0.414 0.000 1.523 298 Q HN 0.712 nan 8.270 nan 0.000 0.459 299 N N 4.368 123.097 118.700 0.047 0.000 2.399 299 N HA 0.599 5.341 4.740 0.004 0.000 0.280 299 N C -1.402 173.936 175.510 -0.287 0.000 1.008 299 N CA -0.516 52.464 53.050 -0.118 0.000 0.894 299 N CB 2.003 40.452 38.487 -0.065 0.000 1.273 299 N HN 0.508 nan 8.380 nan 0.000 0.486 300 L N 2.095 122.946 121.223 -0.620 0.000 2.279 300 L HA 0.718 5.060 4.340 0.004 0.000 0.262 300 L C -1.061 175.569 176.870 -0.401 0.000 1.019 300 L CA -0.623 53.865 54.840 -0.588 0.000 0.823 300 L CB 2.115 43.650 42.059 -0.873 0.000 1.358 300 L HN 0.670 nan 8.230 nan 0.000 0.432 301 R N 1.836 122.207 120.500 -0.215 0.000 3.681 301 R HA 0.308 4.651 4.340 0.004 0.000 0.252 301 R C -2.468 173.920 176.300 0.146 0.000 1.000 301 R CA -0.595 55.477 56.100 -0.047 0.000 1.056 301 R CB 0.557 30.770 30.300 -0.145 0.000 1.243 301 R HN 0.554 nan 8.270 nan 0.000 0.549 302 F N 3.100 123.122 119.950 0.120 0.000 2.565 302 F HA 0.897 5.426 4.527 0.004 0.000 0.313 302 F C -1.607 174.248 175.800 0.093 0.000 1.091 302 F CA 0.074 58.199 58.000 0.207 0.000 0.915 302 F CB 2.529 41.708 39.000 0.298 0.000 1.208 302 F HN 0.777 nan 8.300 nan 0.000 0.453 303 A N 4.409 126.623 122.820 -1.011 0.000 2.517 303 A HA 0.558 4.880 4.320 0.004 0.000 0.297 303 A C -1.750 175.420 177.584 -0.691 0.000 1.050 303 A CA -0.662 50.986 52.037 -0.649 0.000 0.694 303 A CB 1.527 20.341 19.000 -0.310 0.000 1.277 303 A HN 0.828 nan 8.150 nan 0.000 0.400 304 E N 1.766 121.763 120.200 -0.338 0.000 2.158 304 E HA 0.558 4.910 4.350 0.004 0.000 0.271 304 E C -1.215 175.368 176.600 -0.029 0.000 0.911 304 E CA -0.676 55.645 56.400 -0.132 0.000 0.767 304 E CB 0.864 30.596 29.700 0.054 0.000 1.120 304 E HN 0.646 nan 8.360 nan 0.000 0.405 305 N N 3.330 122.025 118.700 -0.007 0.000 2.229 305 N HA 0.424 5.166 4.740 0.004 0.000 0.298 305 N C -1.400 174.149 175.510 0.065 0.000 1.114 305 N CA -0.713 52.357 53.050 0.034 0.000 0.776 305 N CB 1.941 40.440 38.487 0.019 0.000 1.501 305 N HN 0.371 nan 8.380 nan 0.000 0.474 306 K N 0.147 120.596 120.400 0.082 0.000 2.385 306 K HA 0.745 5.067 4.320 0.004 0.000 0.248 306 K C -1.030 175.630 176.600 0.101 0.000 0.955 306 K CA -0.713 55.629 56.287 0.092 0.000 0.816 306 K CB 2.266 34.817 32.500 0.085 0.000 1.250 306 K HN 0.335 nan 8.250 nan 0.000 0.434 307 T N 0.957 115.575 114.554 0.108 0.000 3.170 307 T HA 0.270 4.622 4.350 0.004 0.000 0.315 307 T C -1.089 173.640 174.700 0.049 0.000 0.967 307 T CA -0.648 61.520 62.100 0.113 0.000 1.024 307 T CB 1.287 70.269 68.868 0.189 0.000 1.018 307 T HN 0.459 nan 8.240 nan 0.000 0.449 308 S N 2.932 118.631 115.700 -0.002 0.000 2.593 308 S HA 0.769 5.242 4.470 0.004 0.000 0.297 308 S C -0.735 173.720 174.600 -0.241 0.000 1.112 308 S CA -0.868 57.282 58.200 -0.085 0.000 1.043 308 S CB 1.858 65.027 63.200 -0.051 0.000 1.054 308 S HN 0.760 nan 8.310 nan 0.000 0.516 309 Q N 1.770 121.354 119.800 -0.360 0.000 2.378 309 Q HA 0.275 4.617 4.340 0.004 0.000 0.262 309 Q C -2.158 173.519 176.000 -0.539 0.000 0.978 309 Q CA -0.513 54.929 55.803 -0.602 0.000 0.918 309 Q CB 1.140 29.228 28.738 -1.084 0.000 1.415 309 Q HN 0.638 nan 8.270 nan 0.000 0.409 310 N N 2.187 120.533 118.700 -0.590 0.000 2.841 310 N HA 0.285 5.027 4.740 0.004 0.000 0.257 310 N C -1.642 173.392 175.510 -0.794 0.000 1.396 310 N CA -0.067 52.446 53.050 -0.895 0.000 0.823 310 N CB 1.778 39.625 38.487 -1.066 0.000 1.162 310 N HN 0.374 nan 8.380 nan 0.000 0.503 311 S N 0.131 115.556 115.700 -0.458 0.000 2.537 311 S HA 0.551 5.023 4.470 0.004 0.000 0.301 311 S C 0.069 174.730 174.600 0.102 0.000 1.092 311 S CA -0.536 57.582 58.200 -0.137 0.000 1.048 311 S CB 2.491 65.598 63.200 -0.155 0.000 1.053 311 S HN 0.059 nan 8.310 nan 0.000 0.501 312 V N 4.356 124.349 119.914 0.130 0.000 2.340 312 V HA 0.335 4.457 4.120 0.004 0.000 0.277 312 V C -0.873 175.267 176.094 0.077 0.000 1.017 312 V CA -0.773 61.545 62.300 0.030 0.000 0.820 312 V CB -0.204 31.461 31.823 -0.263 0.000 1.028 312 V HN 0.853 nan 8.190 nan 0.000 0.436 313 Y N 2.123 122.365 120.300 -0.098 0.000 2.408 313 Y HA 0.891 5.443 4.550 0.004 0.000 0.324 313 Y C 0.625 176.526 175.900 0.002 0.000 1.302 313 Y CA -1.844 56.184 58.100 -0.120 0.000 1.384 313 Y CB 0.763 38.950 38.460 -0.455 0.000 1.367 313 Y HN 0.506 nan 8.280 nan 0.000 0.525 314 G N 0.506 109.413 108.800 0.179 0.000 2.502 314 G HA2 0.374 4.336 3.960 0.004 0.000 0.311 314 G HA3 0.374 4.336 3.960 0.004 0.000 0.311 314 G C -2.035 173.081 174.900 0.360 0.000 1.270 314 G CA -0.609 44.602 45.100 0.184 0.000 0.948 314 G HN 0.600 nan 8.290 nan 0.000 0.487 315 Y N 2.187 122.543 120.300 0.092 0.000 2.359 315 Y HA 0.392 4.944 4.550 0.004 0.000 0.330 315 Y C 1.520 177.508 175.900 0.148 0.000 1.143 315 Y CA 0.849 59.063 58.100 0.189 0.000 1.318 315 Y CB 1.077 39.526 38.460 -0.018 0.000 1.234 315 Y HN 0.809 nan 8.280 nan 0.000 0.522 316 G N 2.854 111.791 108.800 0.228 0.000 3.748 316 G HA2 0.007 3.969 3.960 0.004 0.000 0.279 316 G HA3 0.007 3.969 3.960 0.004 0.000 0.279 316 G C -0.056 174.920 174.900 0.127 0.000 1.302 316 G CA -0.178 45.017 45.100 0.159 0.000 0.919 316 G HN 0.936 nan 8.290 nan 0.000 0.638 317 V N -1.948 118.011 119.914 0.075 0.000 3.332 317 V HA 0.053 4.175 4.120 0.004 0.000 0.305 317 V C 1.736 177.878 176.094 0.080 0.000 1.114 317 V CA 0.083 62.429 62.300 0.077 0.000 1.194 317 V CB 0.127 31.974 31.823 0.041 0.000 1.027 317 V HN 0.840 nan 8.190 nan 0.000 0.492 318 c N 1.935 120.591 118.600 0.094 0.000 2.403 318 c HA -0.115 4.457 4.570 0.004 0.000 0.277 318 c C 2.931 177.044 174.090 0.039 0.000 1.248 318 c CA 1.792 58.163 56.329 0.071 0.000 1.762 318 c CB -1.552 40.999 42.510 0.068 0.000 2.014 318 c HN 1.175 nan 8.230 nan 0.000 0.486 319 S N -0.438 115.276 115.700 0.024 0.000 2.720 319 S HA -0.024 4.448 4.470 0.004 0.000 0.222 319 S C 0.122 174.728 174.600 0.011 0.000 0.958 319 S CA 0.219 58.424 58.200 0.008 0.000 0.943 319 S CB -0.511 62.684 63.200 -0.007 0.000 0.779 319 S HN 0.677 nan 8.310 nan 0.000 0.526 320 D N 2.138 122.552 120.400 0.024 0.000 2.256 320 D HA 0.233 4.876 4.640 0.004 0.000 0.250 320 D C -1.866 174.454 176.300 0.034 0.000 1.093 320 D CA -2.042 51.974 54.000 0.026 0.000 0.882 320 D CB 1.760 42.586 40.800 0.043 0.000 1.185 320 D HN -0.029 nan 8.370 nan 0.000 0.437 321 P HA -0.117 nan 4.420 nan 0.000 0.220 321 P C 0.743 178.053 177.300 0.017 0.000 1.144 321 P CA 0.951 64.068 63.100 0.028 0.000 0.800 321 P CB 0.241 31.962 31.700 0.035 0.000 0.772 322 A N -0.511 122.331 122.820 0.037 0.000 2.014 322 A HA -0.120 4.203 4.320 0.004 0.000 0.218 322 A C 1.804 179.402 177.584 0.023 0.000 1.163 322 A CA 1.311 53.368 52.037 0.033 0.000 0.652 322 A CB -0.782 18.183 19.000 -0.059 0.000 0.808 322 A HN 0.167 nan 8.150 nan 0.000 0.449 323 N N -0.175 118.546 118.700 0.035 0.000 2.235 323 N HA 0.242 4.984 4.740 0.004 0.000 0.209 323 N C 1.430 176.972 175.510 0.053 0.000 1.122 323 N CA 0.714 53.781 53.050 0.028 0.000 0.845 323 N CB 0.284 38.800 38.487 0.050 0.000 1.004 323 N HN 0.425 nan 8.380 nan 0.000 0.499 324 A N 0.576 123.427 122.820 0.052 0.000 1.903 324 A HA -0.176 4.146 4.320 0.004 0.000 0.219 324 A C 1.325 179.101 177.584 0.320 0.000 1.191 324 A CA 1.171 53.295 52.037 0.145 0.000 0.638 324 A CB -0.879 18.199 19.000 0.129 0.000 0.823 324 A HN 0.463 nan 8.150 nan 0.000 0.451 325 Y N -0.105 120.197 120.300 0.004 0.000 2.496 325 Y HA 0.200 4.752 4.550 0.004 0.000 0.313 325 Y C 1.075 176.969 175.900 -0.010 0.000 1.184 325 Y CA -0.207 57.892 58.100 -0.002 0.000 1.275 325 Y CB 0.050 38.507 38.460 -0.005 0.000 1.103 325 Y HN 0.260 nan 8.280 nan 0.000 0.513 326 S N 0.889 116.672 115.700 0.138 0.000 2.475 326 S HA 0.176 4.648 4.470 0.004 0.000 0.281 326 S C 0.877 175.506 174.600 0.049 0.000 1.198 326 S CA -0.692 57.549 58.200 0.069 0.000 1.063 326 S CB 1.040 64.263 63.200 0.039 0.000 0.972 326 S HN 0.396 nan 8.310 nan 0.000 0.486 327 K N 3.387 123.810 120.400 0.037 0.000 1.995 327 K HA -0.053 4.269 4.320 0.004 0.000 0.207 327 K C 2.227 178.835 176.600 0.014 0.000 1.041 327 K CA 1.140 57.440 56.287 0.021 0.000 0.942 327 K CB -0.300 32.212 32.500 0.020 0.000 0.731 327 K HN 0.691 nan 8.250 nan 0.000 0.439 328 Q N 0.468 120.281 119.800 0.021 0.000 2.118 328 Q HA -0.274 4.068 4.340 0.004 0.000 0.211 328 Q C 2.414 178.416 176.000 0.003 0.000 0.998 328 Q CA 1.850 57.664 55.803 0.018 0.000 0.872 328 Q CB -0.463 28.298 28.738 0.039 0.000 0.925 328 Q HN 0.391 nan 8.270 nan 0.000 0.414 329 c N 0.340 118.948 118.600 0.014 0.000 2.455 329 c HA -0.036 4.536 4.570 0.004 0.000 0.281 329 c C 1.745 175.820 174.090 -0.025 0.000 1.237 329 c CA 0.417 56.748 56.329 0.003 0.000 1.726 329 c CB -0.911 41.616 42.510 0.029 0.000 2.068 329 c HN 0.558 nan 8.230 nan 0.000 0.466 330 A N -0.164 122.653 122.820 -0.005 0.000 3.030 330 A HA 0.516 4.838 4.320 0.004 0.000 0.273 330 A C 0.613 178.183 177.584 -0.023 0.000 1.841 330 A CA 0.997 53.028 52.037 -0.010 0.000 1.479 330 A CB -0.782 18.225 19.000 0.011 0.000 1.048 330 A HN 1.062 nan 8.150 nan 0.000 0.612 331 A N 1.637 124.430 122.820 -0.045 0.000 2.423 331 A HA 0.409 4.732 4.320 0.004 0.000 0.210 331 A C -0.314 177.223 177.584 -0.078 0.000 2.187 331 A CA -0.290 51.718 52.037 -0.048 0.000 1.488 331 A CB -0.601 18.378 19.000 -0.035 0.000 0.837 331 A HN 0.589 nan 8.150 nan 0.000 0.547 332 L N -0.512 120.647 121.223 -0.106 0.000 2.354 332 L HA 0.876 5.219 4.340 0.004 0.000 0.264 332 L C 0.616 177.412 176.870 -0.124 0.000 1.008 332 L CA -1.149 53.597 54.840 -0.157 0.000 0.819 332 L CB 1.847 43.731 42.059 -0.292 0.000 1.339 332 L HN 0.227 nan 8.230 nan 0.000 0.420 333 A N 1.623 124.374 122.820 -0.114 0.000 2.548 333 A HA 0.245 4.568 4.320 0.004 0.000 0.247 333 A C -1.597 175.934 177.584 -0.089 0.000 1.067 333 A CA -0.751 51.240 52.037 -0.078 0.000 0.757 333 A CB -0.303 18.666 19.000 -0.053 0.000 0.996 333 A HN 0.662 nan 8.150 nan 0.000 0.504 334 P HA -0.289 nan 4.420 nan 0.000 0.218 334 P C 1.580 178.840 177.300 -0.068 0.000 1.147 334 P CA 2.318 65.383 63.100 -0.058 0.000 0.827 334 P CB 0.192 31.871 31.700 -0.035 0.000 0.778 335 A N -0.762 122.023 122.820 -0.059 0.000 1.930 335 A HA -0.204 4.118 4.320 0.004 0.000 0.217 335 A C 2.052 179.558 177.584 -0.129 0.000 1.175 335 A CA 1.830 53.837 52.037 -0.049 0.000 0.627 335 A CB -1.023 17.974 19.000 -0.004 0.000 0.815 335 A HN 0.121 nan 8.150 nan 0.000 0.443 336 D N -0.175 120.117 120.400 -0.179 0.000 2.103 336 D HA -0.088 4.554 4.640 0.004 0.000 0.199 336 D C 1.708 177.785 176.300 -0.372 0.000 0.978 336 D CA 1.073 54.856 54.000 -0.362 0.000 0.829 336 D CB -0.321 40.311 40.800 -0.280 0.000 0.981 336 D HN 0.406 nan 8.370 nan 0.000 0.464 337 K N 0.466 120.739 120.400 -0.211 0.000 2.227 337 K HA -0.201 4.121 4.320 0.004 0.000 0.208 337 K C 2.029 178.598 176.600 -0.052 0.000 1.045 337 K CA 1.397 57.624 56.287 -0.100 0.000 0.931 337 K CB -0.371 32.086 32.500 -0.071 0.000 0.721 337 K HN 0.145 nan 8.250 nan 0.000 0.469 338 G N 0.934 109.666 108.800 -0.113 0.000 2.443 338 G HA2 -0.213 3.749 3.960 0.004 0.000 0.219 338 G HA3 -0.213 3.749 3.960 0.004 0.000 0.219 338 G C 0.850 175.764 174.900 0.023 0.000 1.131 338 G CA 1.096 46.168 45.100 -0.047 0.000 0.775 338 G HN 0.568 nan 8.290 nan 0.000 0.547 339 H N -3.255 115.887 119.070 0.120 0.000 2.481 339 H HA 0.556 5.114 4.556 0.004 0.000 0.273 339 H C -1.158 174.191 175.328 0.035 0.000 1.145 339 H CA -1.737 54.345 56.048 0.056 0.000 0.964 339 H CB -0.826 28.950 29.762 0.024 0.000 1.722 339 H HN 0.235 nan 8.280 nan 0.000 0.573 340 Y N 0.618 120.961 120.300 0.072 0.000 2.391 340 Y HA 0.405 4.957 4.550 0.004 0.000 0.341 340 Y C -1.003 174.938 175.900 0.069 0.000 0.965 340 Y CA -1.382 56.773 58.100 0.093 0.000 1.067 340 Y CB 2.120 40.603 38.460 0.038 0.000 1.199 340 Y HN 0.282 nan 8.280 nan 0.000 0.450 341 L N 3.690 125.011 121.223 0.162 0.000 2.307 341 L HA 0.857 5.200 4.340 0.004 0.000 0.284 341 L C -0.136 176.829 176.870 0.158 0.000 1.023 341 L CA -0.264 54.664 54.840 0.146 0.000 0.810 341 L CB 1.006 43.142 42.059 0.129 0.000 1.231 341 L HN 0.715 nan 8.230 nan 0.000 0.423 342 A N 5.380 128.286 122.820 0.144 0.000 2.280 342 A HA 0.852 5.174 4.320 0.004 0.000 0.268 342 A C -0.335 177.303 177.584 0.089 0.000 1.111 342 A CA -0.290 51.815 52.037 0.112 0.000 0.814 342 A CB 0.427 19.488 19.000 0.102 0.000 1.093 342 A HN 0.788 nan 8.150 nan 0.000 0.498 343 R N -0.577 119.932 120.500 0.014 0.000 2.579 343 R HA 0.415 4.757 4.340 0.004 0.000 0.260 343 R C -1.301 174.885 176.300 -0.190 0.000 1.103 343 R CA -0.508 55.543 56.100 -0.082 0.000 0.942 343 R CB 2.228 32.505 30.300 -0.038 0.000 1.251 343 R HN 0.829 nan 8.270 nan 0.000 0.450 344 K N 1.093 121.225 120.400 -0.446 0.000 2.263 344 K HA 0.583 4.906 4.320 0.004 0.000 0.249 344 K C -1.268 175.085 176.600 -0.411 0.000 1.076 344 K CA -0.920 55.111 56.287 -0.426 0.000 0.884 344 K CB 1.757 33.962 32.500 -0.492 0.000 1.394 344 K HN 0.491 nan 8.250 nan 0.000 0.476 345 Y N -2.945 117.225 120.300 -0.216 0.000 2.829 345 Y HA 0.807 5.359 4.550 0.004 0.000 0.322 345 Y C -1.511 174.401 175.900 0.020 0.000 1.357 345 Y CA -1.275 56.788 58.100 -0.061 0.000 1.081 345 Y CB 1.183 39.554 38.460 -0.148 0.000 1.339 345 Y HN 0.262 nan 8.280 nan 0.000 0.469 346 V N 1.130 121.192 119.914 0.246 0.000 2.950 346 V HA 0.673 4.796 4.120 0.004 0.000 0.295 346 V C -2.180 173.858 176.094 -0.093 0.000 1.297 346 V CA -0.570 61.597 62.300 -0.221 0.000 0.962 346 V CB 1.864 33.278 31.823 -0.682 0.000 1.081 346 V HN 0.880 nan 8.190 nan 0.000 0.432 347 V N 5.428 125.325 119.914 -0.029 0.000 2.487 347 V HA 0.741 4.863 4.120 0.004 0.000 0.298 347 V C -0.868 175.205 176.094 -0.035 0.000 1.028 347 V CA -0.201 62.071 62.300 -0.047 0.000 0.860 347 V CB 1.822 33.726 31.823 0.135 0.000 0.991 347 V HN 1.065 nan 8.190 nan 0.000 0.427 348 D N 2.462 122.787 120.400 -0.126 0.000 2.966 348 D HA 0.444 5.086 4.640 0.004 0.000 0.222 348 D C -1.667 174.629 176.300 -0.007 0.000 1.292 348 D CA -0.322 53.669 54.000 -0.016 0.000 0.907 348 D CB 2.108 42.860 40.800 -0.080 0.000 1.621 348 D HN 0.552 nan 8.370 nan 0.000 0.557 349 D N 2.543 122.996 120.400 0.089 0.000 2.425 349 D HA 0.391 5.033 4.640 0.004 0.000 0.240 349 D C -1.092 175.289 176.300 0.135 0.000 1.080 349 D CA -0.265 53.784 54.000 0.081 0.000 0.836 349 D CB 1.075 41.920 40.800 0.075 0.000 1.125 349 D HN 0.338 nan 8.370 nan 0.000 0.525 350 E N 2.442 122.722 120.200 0.134 0.000 2.317 350 E HA 0.478 4.830 4.350 0.004 0.000 0.270 350 E C -0.886 175.791 176.600 0.128 0.000 0.885 350 E CA -1.084 55.414 56.400 0.164 0.000 0.760 350 E CB 2.758 32.596 29.700 0.230 0.000 1.227 350 E HN 0.224 nan 8.360 nan 0.000 0.434 351 K N 2.363 122.835 120.400 0.120 0.000 2.523 351 K HA 0.559 4.881 4.320 0.004 0.000 0.257 351 K C -2.007 174.648 176.600 0.092 0.000 0.932 351 K CA -0.738 55.608 56.287 0.100 0.000 0.812 351 K CB 1.519 34.075 32.500 0.094 0.000 1.326 351 K HN 0.425 nan 8.250 nan 0.000 0.433 352 L N 0.719 121.984 121.223 0.070 0.000 2.556 352 L HA 0.511 4.854 4.340 0.004 0.000 0.257 352 L C -1.864 175.009 176.870 0.006 0.000 0.955 352 L CA -0.557 54.313 54.840 0.050 0.000 0.850 352 L CB 2.107 44.192 42.059 0.044 0.000 1.398 352 L HN 0.605 nan 8.230 nan 0.000 0.412 353 Q N 2.033 121.838 119.800 0.008 0.000 2.348 353 Q HA 0.507 4.849 4.340 0.004 0.000 0.271 353 Q C -1.467 174.480 176.000 -0.088 0.000 1.067 353 Q CA -0.547 55.206 55.803 -0.084 0.000 0.839 353 Q CB 2.392 31.215 28.738 0.141 0.000 1.354 353 Q HN 0.878 nan 8.270 nan 0.000 0.447 354 N N 1.032 119.586 118.700 -0.243 0.000 2.572 354 N HA 0.356 5.098 4.740 0.004 0.000 0.287 354 N C -1.913 173.598 175.510 0.001 0.000 1.136 354 N CA -0.244 52.746 53.050 -0.100 0.000 0.900 354 N CB 1.171 39.563 38.487 -0.158 0.000 1.484 354 N HN 0.441 nan 8.380 nan 0.000 0.526 355 F N 3.122 123.119 119.950 0.078 0.000 2.470 355 F HA 0.700 5.229 4.527 0.003 0.000 0.329 355 F C -0.926 174.923 175.800 0.081 0.000 1.072 355 F CA -0.252 57.875 58.000 0.212 0.000 0.989 355 F CB 1.686 40.913 39.000 0.378 0.000 1.193 355 F HN 0.391 nan 8.300 nan 0.000 0.481 356 S N 4.191 119.175 115.700 -1.193 0.000 2.582 356 S HA 0.555 5.027 4.470 0.004 0.000 0.287 356 S C -1.628 172.469 174.600 -0.839 0.000 1.146 356 S CA -0.848 56.828 58.200 -0.874 0.000 0.941 356 S CB 0.570 63.522 63.200 -0.415 0.000 1.115 356 S HN 0.861 nan 8.310 nan 0.000 0.458 357 V N 1.238 120.837 119.914 -0.524 0.000 3.001 357 V HA 0.893 5.015 4.120 0.004 0.000 0.314 357 V C -1.819 174.259 176.094 -0.025 0.000 1.099 357 V CA -0.499 61.668 62.300 -0.222 0.000 0.989 357 V CB 2.233 34.061 31.823 0.009 0.000 1.040 357 V HN 1.068 nan 8.190 nan 0.000 0.434 358 D N 2.213 122.632 120.400 0.032 0.000 2.365 358 D HA 0.345 4.987 4.640 0.004 0.000 0.235 358 D C -0.897 175.488 176.300 0.142 0.000 1.368 358 D CA -0.093 53.973 54.000 0.111 0.000 1.001 358 D CB 1.610 42.470 40.800 0.100 0.000 1.364 358 D HN 0.587 nan 8.370 nan 0.000 0.577 359 T N 3.066 117.714 114.554 0.157 0.000 2.744 359 T HA 0.486 4.839 4.350 0.004 0.000 0.291 359 T C 0.226 175.005 174.700 0.132 0.000 0.957 359 T CA -0.599 61.594 62.100 0.155 0.000 1.002 359 T CB 1.445 70.395 68.868 0.137 0.000 0.919 359 T HN 0.260 nan 8.240 nan 0.000 0.468 360 Q N 1.488 121.377 119.800 0.148 0.000 2.351 360 Q HA 0.715 5.057 4.340 0.004 0.000 0.273 360 Q C -1.300 174.776 176.000 0.126 0.000 1.077 360 Q CA -1.139 54.738 55.803 0.124 0.000 0.843 360 Q CB 2.237 31.078 28.738 0.171 0.000 1.367 360 Q HN 0.421 nan 8.270 nan 0.000 0.449 361 L N 1.823 123.106 121.223 0.100 0.000 2.485 361 L HA 0.258 4.600 4.340 0.004 0.000 0.260 361 L C -1.292 175.676 176.870 0.162 0.000 0.998 361 L CA -0.051 54.870 54.840 0.134 0.000 0.883 361 L CB 1.700 43.809 42.059 0.083 0.000 1.196 361 L HN 0.599 nan 8.230 nan 0.000 0.443 362 Q N 2.818 122.736 119.800 0.197 0.000 2.267 362 Q HA 0.587 4.929 4.340 0.004 0.000 0.255 362 Q C -1.130 175.015 176.000 0.242 0.000 0.923 362 Q CA -0.103 55.810 55.803 0.183 0.000 0.925 362 Q CB 0.941 29.777 28.738 0.163 0.000 1.195 362 Q HN 0.722 nan 8.270 nan 0.000 0.417 363 S N 4.147 119.959 115.700 0.187 0.000 2.789 363 S HA 0.347 4.819 4.470 0.004 0.000 0.286 363 S C -1.306 173.274 174.600 -0.033 0.000 1.153 363 S CA -0.803 57.513 58.200 0.193 0.000 1.084 363 S CB 1.135 64.573 63.200 0.397 0.000 1.036 363 S HN 0.522 nan 8.310 nan 0.000 0.484 364 K N 2.957 123.322 120.400 -0.058 0.000 2.211 364 K HA 0.664 4.986 4.320 0.004 0.000 0.275 364 K C -0.831 175.735 176.600 -0.057 0.000 1.024 364 K CA -0.459 55.752 56.287 -0.127 0.000 0.887 364 K CB 0.825 33.295 32.500 -0.050 0.000 1.084 364 K HN 0.567 nan 8.250 nan 0.000 0.463 365 F N -0.285 119.670 119.950 0.008 0.000 2.685 365 F HA 0.761 5.290 4.527 0.003 0.000 0.315 365 F C -0.930 174.881 175.800 0.019 0.000 1.126 365 F CA -1.580 56.399 58.000 -0.036 0.000 0.950 365 F CB 0.462 39.405 39.000 -0.095 0.000 1.360 365 F HN 0.458 nan 8.300 nan 0.000 0.469 366 A N 0.298 123.345 122.820 0.379 0.000 2.378 366 A HA 0.986 5.308 4.320 0.004 0.000 0.293 366 A C 0.145 177.848 177.584 0.199 0.000 1.250 366 A CA 0.317 52.504 52.037 0.251 0.000 0.915 366 A CB 0.507 19.571 19.000 0.107 0.000 1.402 366 A HN 1.536 nan 8.150 nan 0.000 0.502 367 T N -4.327 110.285 114.554 0.097 0.000 3.055 367 T HA 0.369 4.721 4.350 0.004 0.000 0.121 367 T C 1.265 175.954 174.700 -0.018 0.000 0.712 367 T CA 0.468 62.575 62.100 0.012 0.000 0.799 367 T CB -0.579 68.317 68.868 0.045 0.000 1.605 367 T HN 1.410 nan 8.240 nan 0.000 0.282 368 G N 0.792 109.559 108.800 -0.054 0.000 3.056 368 G HA2 0.320 4.283 3.960 0.004 0.000 0.175 368 G HA3 0.320 4.283 3.960 0.004 0.000 0.175 368 G C 0.103 174.952 174.900 -0.084 0.000 1.894 368 G CA 0.631 45.671 45.100 -0.101 0.000 0.910 368 G HN 0.629 nan 8.290 nan 0.000 0.462 369 D N 0.668 120.970 120.400 -0.164 0.000 2.363 369 D HA 0.106 4.748 4.640 0.004 0.000 0.214 369 D C 0.634 176.882 176.300 -0.087 0.000 1.093 369 D CA -0.132 53.829 54.000 -0.065 0.000 0.837 369 D CB 0.574 41.407 40.800 0.055 0.000 0.948 369 D HN 0.238 nan 8.370 nan 0.000 0.507 370 I N -0.797 119.660 120.570 -0.190 0.000 2.392 370 I HA 0.426 4.598 4.170 0.004 0.000 0.295 370 I C -0.254 175.880 176.117 0.030 0.000 0.985 370 I CA -0.428 60.800 61.300 -0.120 0.000 1.221 370 I CB 1.460 39.315 38.000 -0.241 0.000 1.366 370 I HN -0.340 nan 8.210 nan 0.000 0.467 371 D N 4.728 125.131 120.400 0.005 0.000 2.229 371 D HA 0.438 5.080 4.640 0.004 0.000 0.249 371 D C -0.699 175.546 176.300 -0.091 0.000 1.027 371 D CA -0.008 54.016 54.000 0.040 0.000 0.923 371 D CB 1.310 42.114 40.800 0.007 0.000 1.174 371 D HN 0.605 nan 8.370 nan 0.000 0.443 372 H N -0.883 118.086 119.070 -0.168 0.000 2.622 372 H HA 0.491 5.049 4.556 0.004 0.000 0.363 372 H C -0.523 174.563 175.328 -0.403 0.000 1.151 372 H CA -0.418 55.406 56.048 -0.373 0.000 1.184 372 H CB 1.799 31.035 29.762 -0.876 0.000 1.643 372 H HN 0.020 nan 8.280 nan 0.000 0.531 373 T N 3.312 117.739 114.554 -0.211 0.000 3.198 373 T HA 0.184 4.536 4.350 0.004 0.000 0.352 373 T C -0.894 173.747 174.700 -0.097 0.000 1.197 373 T CA -0.565 61.449 62.100 -0.142 0.000 1.427 373 T CB 0.013 68.834 68.868 -0.079 0.000 0.983 373 T HN 0.188 nan 8.240 nan 0.000 0.560 374 L N 3.666 124.809 121.223 -0.133 0.000 2.276 374 L HA 0.742 5.085 4.340 0.004 0.000 0.286 374 L C -0.943 175.964 176.870 0.062 0.000 1.061 374 L CA -0.743 54.088 54.840 -0.016 0.000 0.807 374 L CB 0.828 42.881 42.059 -0.011 0.000 1.177 374 L HN 0.452 nan 8.230 nan 0.000 0.429 375 L N 4.746 126.022 121.223 0.087 0.000 2.346 375 L HA 0.808 5.150 4.340 0.004 0.000 0.276 375 L C -0.646 176.254 176.870 0.049 0.000 1.006 375 L CA 0.136 55.037 54.840 0.101 0.000 0.817 375 L CB 2.032 44.179 42.059 0.147 0.000 1.272 375 L HN 0.812 nan 8.230 nan 0.000 0.421 376 T N 1.356 115.890 114.554 -0.033 0.000 2.991 376 T HA 0.895 5.248 4.350 0.004 0.000 0.303 376 T C -0.368 174.131 174.700 -0.334 0.000 1.015 376 T CA -0.388 61.603 62.100 -0.181 0.000 1.007 376 T CB 1.407 70.244 68.868 -0.052 0.000 1.034 376 T HN 0.935 nan 8.240 nan 0.000 0.446 377 G N 0.671 108.998 108.800 -0.788 0.000 2.684 377 G HA2 0.650 4.612 3.960 0.004 0.000 0.290 377 G HA3 0.650 4.612 3.960 0.004 0.000 0.290 377 G C -1.787 172.897 174.900 -0.361 0.000 1.425 377 G CA -0.882 43.865 45.100 -0.589 0.000 0.822 377 G HN 0.878 nan 8.290 nan 0.000 0.482 378 V N 1.033 120.951 119.914 0.007 0.000 2.483 378 V HA 0.490 4.612 4.120 0.004 0.000 0.297 378 V C -1.169 175.085 176.094 0.265 0.000 1.027 378 V CA -0.812 61.588 62.300 0.166 0.000 0.855 378 V CB 1.717 33.622 31.823 0.136 0.000 0.995 378 V HN 0.758 nan 8.190 nan 0.000 0.424 379 D N 3.742 124.343 120.400 0.334 0.000 2.344 379 D HA 0.418 5.060 4.640 0.004 0.000 0.239 379 D C -1.580 174.886 176.300 0.278 0.000 1.064 379 D CA -0.256 53.908 54.000 0.273 0.000 0.829 379 D CB 1.909 42.848 40.800 0.233 0.000 1.129 379 D HN 0.394 nan 8.370 nan 0.000 0.506 380 F N 4.879 124.890 119.950 0.101 0.000 2.520 380 F HA 0.552 5.082 4.527 0.004 0.000 0.322 380 F C -1.127 174.690 175.800 0.029 0.000 1.103 380 F CA -0.794 57.266 58.000 0.099 0.000 0.926 380 F CB 1.697 40.775 39.000 0.130 0.000 1.154 380 F HN 0.195 nan 8.300 nan 0.000 0.453 381 M N 7.937 126.740 119.600 -1.328 0.000 2.322 381 M HA 0.434 4.916 4.480 0.004 0.000 0.286 381 M C -2.079 173.693 176.300 -0.881 0.000 1.111 381 M CA -0.390 54.397 55.300 -0.855 0.000 0.941 381 M CB 2.251 34.616 32.600 -0.392 0.000 1.671 381 M HN 0.892 nan 8.290 nan 0.000 0.470 382 R N 5.410 125.668 120.500 -0.403 0.000 2.621 382 R HA 0.807 5.149 4.340 0.004 0.000 0.284 382 R C -1.893 174.425 176.300 0.030 0.000 0.998 382 R CA -0.407 55.654 56.100 -0.066 0.000 0.895 382 R CB 2.014 32.474 30.300 0.266 0.000 1.195 382 R HN 0.890 nan 8.270 nan 0.000 0.450 383 M N 2.212 121.832 119.600 0.033 0.000 2.520 383 M HA 0.565 5.047 4.480 0.004 0.000 0.283 383 M C -1.911 174.420 176.300 0.053 0.000 1.237 383 M CA -0.596 54.723 55.300 0.032 0.000 0.885 383 M CB 2.238 34.821 32.600 -0.027 0.000 1.727 383 M HN 0.633 nan 8.290 nan 0.000 0.468 384 R N 2.431 122.965 120.500 0.057 0.000 2.548 384 R HA 0.647 4.989 4.340 0.004 0.000 0.280 384 R C -2.191 174.145 176.300 0.060 0.000 1.061 384 R CA -0.470 55.668 56.100 0.064 0.000 0.915 384 R CB 1.599 31.950 30.300 0.085 0.000 1.210 384 R HN 1.000 nan 8.270 nan 0.000 0.442 385 N N 1.904 120.641 118.700 0.061 0.000 2.352 385 N HA 0.187 4.929 4.740 0.004 0.000 0.291 385 N C -1.947 173.609 175.510 0.077 0.000 1.040 385 N CA -0.580 52.515 53.050 0.076 0.000 0.864 385 N CB 1.982 40.523 38.487 0.090 0.000 1.440 385 N HN 0.590 nan 8.380 nan 0.000 0.483 386 D N 3.737 124.190 120.400 0.088 0.000 2.280 386 D HA 0.339 4.981 4.640 0.004 0.000 0.236 386 D C -0.514 175.854 176.300 0.113 0.000 1.082 386 D CA -0.238 53.812 54.000 0.084 0.000 0.834 386 D CB 0.689 41.537 40.800 0.080 0.000 1.100 386 D HN 0.484 nan 8.370 nan 0.000 0.486 387 I N 2.951 123.586 120.570 0.108 0.000 2.493 387 I HA 0.361 4.533 4.170 0.004 0.000 0.298 387 I C 0.224 176.447 176.117 0.176 0.000 0.998 387 I CA -0.837 60.566 61.300 0.171 0.000 1.137 387 I CB 1.714 39.817 38.000 0.171 0.000 1.310 387 I HN 0.350 nan 8.210 nan 0.000 0.445 388 N N 4.411 123.249 118.700 0.230 0.000 2.727 388 N HA 0.553 5.295 4.740 0.004 0.000 0.252 388 N C -1.077 174.622 175.510 0.315 0.000 1.283 388 N CA -0.151 53.040 53.050 0.236 0.000 0.782 388 N CB 0.925 39.519 38.487 0.177 0.000 1.199 388 N HN 0.822 nan 8.380 nan 0.000 0.520 389 A N 1.738 124.824 122.820 0.444 0.000 2.309 389 A HA 0.690 5.013 4.320 0.004 0.000 0.317 389 A C -1.670 176.283 177.584 0.617 0.000 1.134 389 A CA -0.577 51.774 52.037 0.522 0.000 0.866 389 A CB 1.271 20.713 19.000 0.737 0.000 1.329 389 A HN 0.593 nan 8.150 nan 0.000 0.477 390 W N 0.711 122.231 121.300 0.367 0.000 3.439 390 W HA 0.604 5.267 4.660 0.004 0.000 0.323 390 W C -2.824 173.833 176.519 0.230 0.000 1.174 390 W CA -0.833 56.727 57.345 0.360 0.000 1.224 390 W CB 1.705 31.311 29.460 0.245 0.000 1.348 390 W HN 0.535 nan 8.180 nan 0.000 0.498 391 F N 1.948 121.807 119.950 -0.151 0.000 2.594 391 F HA 0.840 5.369 4.527 0.004 0.000 0.335 391 F C 0.867 176.221 175.800 -0.744 0.000 1.058 391 F CA -0.778 57.071 58.000 -0.252 0.000 0.981 391 F CB 1.870 40.850 39.000 -0.034 0.000 1.289 391 F HN 0.286 nan 8.300 nan 0.000 0.490 392 G N -0.007 108.307 108.800 -0.810 0.000 2.524 392 G HA2 0.613 4.576 3.960 0.004 0.000 0.310 392 G HA3 0.613 4.576 3.960 0.004 0.000 0.310 392 G C -2.415 172.054 174.900 -0.719 0.000 1.279 392 G CA -0.522 43.966 45.100 -1.020 0.000 0.974 392 G HN 0.390 nan 8.290 nan 0.000 0.484 393 Y N 0.749 121.004 120.300 -0.074 0.000 2.425 393 Y HA 0.444 4.996 4.550 0.004 0.000 0.344 393 Y C 0.846 176.686 175.900 -0.101 0.000 0.969 393 Y CA -1.179 56.860 58.100 -0.101 0.000 1.052 393 Y CB 1.771 40.189 38.460 -0.071 0.000 1.215 393 Y HN 0.622 nan 8.280 nan 0.000 0.451 394 D N 0.792 121.166 120.400 -0.043 0.000 4.541 394 D HA -0.317 4.325 4.640 0.004 0.000 0.246 394 D C -0.081 176.209 176.300 -0.017 0.000 0.855 394 D CA 2.639 56.601 54.000 -0.063 0.000 1.958 394 D CB -0.780 40.023 40.800 0.005 0.000 1.116 394 D HN 0.858 nan 8.370 nan 0.000 0.413 395 D N 0.268 120.688 120.400 0.034 0.000 2.460 395 D HA 0.178 4.821 4.640 0.004 0.000 0.229 395 D C 1.166 177.512 176.300 0.077 0.000 1.170 395 D CA 0.267 54.298 54.000 0.052 0.000 0.827 395 D CB 0.545 41.380 40.800 0.059 0.000 0.973 395 D HN 0.091 nan 8.370 nan 0.000 0.496 396 S N -0.200 115.536 115.700 0.061 0.000 2.382 396 S HA -0.058 4.414 4.470 0.004 0.000 0.228 396 S C 0.721 175.502 174.600 0.301 0.000 1.027 396 S CA 0.594 58.877 58.200 0.138 0.000 0.991 396 S CB 0.156 63.346 63.200 -0.017 0.000 0.823 396 S HN 0.280 nan 8.310 nan 0.000 0.469 397 V N -0.217 119.823 119.914 0.210 0.000 3.012 397 V HA 0.615 4.738 4.120 0.004 0.000 0.307 397 V C -3.074 173.116 176.094 0.161 0.000 1.166 397 V CA -2.405 60.067 62.300 0.285 0.000 0.974 397 V CB 1.404 33.367 31.823 0.234 0.000 1.040 397 V HN -0.034 nan 8.190 nan 0.000 0.428 398 P HA 0.089 nan 4.420 nan 0.000 0.266 398 P C 0.281 177.654 177.300 0.121 0.000 1.180 398 P CA 0.387 63.559 63.100 0.120 0.000 0.765 398 P CB 0.291 32.055 31.700 0.108 0.000 0.806 399 L N 1.682 122.991 121.223 0.143 0.000 2.440 399 L HA 0.289 4.631 4.340 0.004 0.000 0.184 399 L C 0.429 177.398 176.870 0.165 0.000 1.111 399 L CA 0.021 54.975 54.840 0.190 0.000 0.910 399 L CB -0.284 41.962 42.059 0.312 0.000 1.455 399 L HN 0.261 nan 8.230 nan 0.000 0.523 400 L N 0.425 121.739 121.223 0.152 0.000 2.905 400 L HA 0.264 4.607 4.340 0.004 0.000 0.260 400 L C -0.502 176.242 176.870 -0.210 0.000 0.933 400 L CA -0.228 54.627 54.840 0.025 0.000 1.034 400 L CB 1.077 43.190 42.059 0.091 0.000 1.550 400 L HN 0.573 nan 8.230 nan 0.000 0.480 401 N N 4.114 122.567 118.700 -0.411 0.000 2.240 401 N HA 0.540 5.282 4.740 0.004 0.000 0.250 401 N C -0.881 174.494 175.510 -0.224 0.000 1.316 401 N CA 0.120 52.802 53.050 -0.613 0.000 0.894 401 N CB 0.509 38.734 38.487 -0.438 0.000 1.101 401 N HN 0.548 nan 8.380 nan 0.000 0.491 420 D N 0.186 120.592 120.400 0.010 0.000 2.511 420 D HA 0.714 5.356 4.640 0.004 0.000 0.276 420 D C -1.049 175.262 176.300 0.018 0.000 1.220 420 D CA -0.204 53.807 54.000 0.017 0.000 1.077 420 D CB 1.330 42.124 40.800 -0.009 0.000 1.126 420 D HN 0.567 nan 8.370 nan 0.000 0.583 421 F N 0.858 120.647 119.950 -0.268 0.000 2.839 421 F HA 0.087 4.616 4.527 0.004 0.000 0.344 421 F C -1.071 174.337 175.800 -0.653 0.000 1.242 421 F CA -0.902 56.803 58.000 -0.492 0.000 1.091 421 F CB 1.182 39.760 39.000 -0.703 0.000 1.374 421 F HN -0.034 nan 8.300 nan 0.000 0.553 422 D N 5.061 124.861 120.400 -1.000 0.000 2.368 422 D HA 0.016 4.658 4.640 0.004 0.000 0.268 422 D C 0.557 176.356 176.300 -0.836 0.000 1.298 422 D CA 0.606 54.181 54.000 -0.707 0.000 0.938 422 D CB 0.186 40.659 40.800 -0.544 0.000 1.101 422 D HN 0.432 nan 8.370 nan 0.000 0.509 423 F N 2.123 121.923 119.950 -0.249 0.000 2.664 423 F HA 0.118 4.648 4.527 0.004 0.000 0.296 423 F C 1.820 177.491 175.800 -0.215 0.000 1.125 423 F CA 0.308 58.201 58.000 -0.178 0.000 1.444 423 F CB -0.159 38.801 39.000 -0.067 0.000 1.114 423 F HN 0.446 nan 8.300 nan 0.000 0.576 424 N N -0.019 118.646 118.700 -0.058 0.000 2.313 424 N HA 0.140 4.882 4.740 0.004 0.000 0.207 424 N C 1.711 177.117 175.510 -0.175 0.000 1.141 424 N CA 0.226 53.208 53.050 -0.115 0.000 0.830 424 N CB 0.199 38.634 38.487 -0.086 0.000 1.008 424 N HN 0.161 nan 8.380 nan 0.000 0.481 425 A N 2.017 124.716 122.820 -0.203 0.000 1.845 425 A HA -0.140 4.182 4.320 0.004 0.000 0.215 425 A C 0.935 178.435 177.584 -0.141 0.000 1.195 425 A CA 1.053 52.982 52.037 -0.179 0.000 0.616 425 A CB -0.191 18.679 19.000 -0.216 0.000 0.832 425 A HN 0.324 nan 8.150 nan 0.000 0.443 426 K N 0.360 120.673 120.400 -0.145 0.000 3.689 426 K HA -0.158 4.164 4.320 0.004 0.000 0.276 426 K C -0.944 175.690 176.600 0.056 0.000 0.932 426 K CA 0.719 56.866 56.287 -0.233 0.000 0.758 426 K CB -1.363 30.722 32.500 -0.691 0.000 1.500 426 K HN 0.605 nan 8.250 nan 0.000 0.448 427 D N 0.886 121.388 120.400 0.170 0.000 2.365 427 D HA 0.127 4.769 4.640 0.004 0.000 0.237 427 D C -1.733 174.709 176.300 0.236 0.000 1.190 427 D CA -2.366 51.728 54.000 0.157 0.000 0.867 427 D CB 1.139 42.004 40.800 0.109 0.000 1.050 427 D HN 0.003 nan 8.370 nan 0.000 0.491 428 P HA -0.096 nan 4.420 nan 0.000 0.231 428 P C 0.559 177.967 177.300 0.180 0.000 1.154 428 P CA 0.626 63.872 63.100 0.242 0.000 0.762 428 P CB 0.309 32.128 31.700 0.198 0.000 0.790 429 A N 0.051 122.963 122.820 0.153 0.000 2.081 429 A HA -0.006 4.316 4.320 0.004 0.000 0.214 429 A C 1.232 178.904 177.584 0.146 0.000 1.158 429 A CA 1.077 53.188 52.037 0.124 0.000 0.724 429 A CB -0.538 18.517 19.000 0.091 0.000 0.826 429 A HN 0.332 nan 8.150 nan 0.000 0.463 430 N N -2.083 116.714 118.700 0.162 0.000 2.193 430 N HA 0.207 4.949 4.740 0.004 0.000 0.236 430 N C -0.709 174.799 175.510 -0.003 0.000 1.347 430 N CA 0.175 53.314 53.050 0.147 0.000 0.812 430 N CB 0.357 38.910 38.487 0.111 0.000 1.297 430 N HN -0.020 nan 8.380 nan 0.000 0.499 431 S N -1.103 114.651 115.700 0.089 0.000 2.564 431 S HA 0.929 5.402 4.470 0.004 0.000 0.274 431 S C -0.499 174.144 174.600 0.072 0.000 1.124 431 S CA -0.562 57.653 58.200 0.025 0.000 0.869 431 S CB 2.048 65.624 63.200 0.627 0.000 1.105 431 S HN 0.452 nan 8.310 nan 0.000 0.472 432 G N 1.342 109.868 108.800 -0.457 0.000 2.695 432 G HA2 0.794 4.757 3.960 0.004 0.000 0.290 432 G HA3 0.794 4.757 3.960 0.004 0.000 0.290 432 G C -3.456 170.382 174.900 -1.771 0.000 1.410 432 G CA -1.498 43.175 45.100 -0.712 0.000 0.844 432 G HN 0.428 nan 8.290 nan 0.000 0.478 433 P HA 0.377 nan 4.420 nan 0.000 0.285 433 P C -1.870 175.341 177.300 -0.148 0.000 1.269 433 P CA -0.635 62.011 63.100 -0.758 0.000 0.844 433 P CB 1.970 33.473 31.700 -0.328 0.000 1.094 434 Y N 1.458 121.741 120.300 -0.029 0.000 2.541 434 Y HA 0.368 4.920 4.550 0.004 0.000 0.350 434 Y C -0.435 175.501 175.900 0.060 0.000 1.075 434 Y CA -0.504 57.598 58.100 0.003 0.000 1.302 434 Y CB 1.078 39.586 38.460 0.079 0.000 1.094 434 Y HN 0.195 nan 8.280 nan 0.000 0.579 435 R N 6.259 126.699 120.500 -0.100 0.000 2.272 435 R HA 0.526 4.868 4.340 0.004 0.000 0.323 435 R C -1.235 174.958 176.300 -0.178 0.000 1.002 435 R CA -0.524 55.556 56.100 -0.034 0.000 0.900 435 R CB 0.996 31.312 30.300 0.026 0.000 1.151 435 R HN 0.394 nan 8.270 nan 0.000 0.507 436 I N 3.646 124.113 120.570 -0.171 0.000 2.646 436 I HA 0.397 4.569 4.170 0.004 0.000 0.299 436 I C -0.471 175.600 176.117 -0.076 0.000 1.036 436 I CA -1.021 60.155 61.300 -0.207 0.000 1.074 436 I CB 2.140 39.935 38.000 -0.341 0.000 1.258 436 I HN 0.503 nan 8.210 nan 0.000 0.430 437 L N 6.086 127.271 121.223 -0.062 0.000 2.427 437 L HA 0.460 4.802 4.340 0.004 0.000 0.264 437 L C -0.866 175.998 176.870 -0.011 0.000 0.989 437 L CA -0.162 54.671 54.840 -0.013 0.000 0.865 437 L CB 0.568 42.629 42.059 0.002 0.000 1.209 437 L HN 0.559 nan 8.230 nan 0.000 0.430 438 N N 4.659 123.360 118.700 0.002 0.000 2.456 438 N HA 0.434 5.176 4.740 0.004 0.000 0.288 438 N C -1.149 174.379 175.510 0.030 0.000 1.059 438 N CA -0.783 52.273 53.050 0.010 0.000 0.946 438 N CB 1.346 39.839 38.487 0.010 0.000 1.150 438 N HN 0.430 nan 8.380 nan 0.000 0.479 439 K N 2.000 122.420 120.400 0.034 0.000 2.324 439 K HA 0.344 4.666 4.320 0.004 0.000 0.253 439 K C -1.066 175.563 176.600 0.048 0.000 0.932 439 K CA -0.570 55.746 56.287 0.049 0.000 0.799 439 K CB 2.304 34.838 32.500 0.057 0.000 1.154 439 K HN 0.470 nan 8.250 nan 0.000 0.425 440 Q N 1.784 121.612 119.800 0.047 0.000 2.359 440 Q HA 0.417 4.759 4.340 0.004 0.000 0.274 440 Q C -1.793 174.229 176.000 0.038 0.000 1.074 440 Q CA -0.724 55.101 55.803 0.036 0.000 0.810 440 Q CB 2.549 31.291 28.738 0.007 0.000 1.342 440 Q HN 0.424 nan 8.270 nan 0.000 0.427 441 K N 1.718 122.147 120.400 0.049 0.000 2.546 441 K HA 0.387 4.709 4.320 0.004 0.000 0.264 441 K C -2.054 174.577 176.600 0.051 0.000 0.937 441 K CA -0.465 55.849 56.287 0.045 0.000 0.833 441 K CB 2.024 34.625 32.500 0.168 0.000 1.378 441 K HN 0.562 nan 8.250 nan 0.000 0.432 442 Q N 2.510 122.286 119.800 -0.040 0.000 2.380 442 Q HA 0.244 4.586 4.340 0.004 0.000 0.245 442 Q C -1.798 174.276 176.000 0.123 0.000 0.893 442 Q CA -0.435 55.416 55.803 0.080 0.000 0.922 442 Q CB 2.157 30.922 28.738 0.045 0.000 1.432 442 Q HN 0.703 nan 8.270 nan 0.000 0.434 443 T N 1.507 116.285 114.554 0.372 0.000 2.823 443 T HA 0.827 5.180 4.350 0.004 0.000 0.279 443 T C -0.266 174.781 174.700 0.578 0.000 0.998 443 T CA -0.479 61.910 62.100 0.482 0.000 0.994 443 T CB 1.578 70.733 68.868 0.478 0.000 0.960 443 T HN 0.613 nan 8.240 nan 0.000 0.448 444 G N 0.761 109.859 108.800 0.497 0.000 2.659 444 G HA2 0.704 4.666 3.960 0.004 0.000 0.296 444 G HA3 0.704 4.666 3.960 0.004 0.000 0.296 444 G C -1.017 174.193 174.900 0.517 0.000 1.369 444 G CA -0.775 44.625 45.100 0.500 0.000 0.937 444 G HN 0.898 nan 8.290 nan 0.000 0.485 445 V N -1.026 119.202 119.914 0.522 0.000 2.914 445 V HA 0.984 5.106 4.120 0.004 0.000 0.314 445 V C -0.958 175.400 176.094 0.439 0.000 1.084 445 V CA -1.294 61.256 62.300 0.417 0.000 0.963 445 V CB 1.108 33.154 31.823 0.371 0.000 1.025 445 V HN 1.521 nan 8.190 nan 0.000 0.432 446 Y N 1.522 121.923 120.300 0.169 0.000 2.641 446 Y HA 0.884 5.436 4.550 0.004 0.000 0.333 446 Y C -1.121 174.853 175.900 0.123 0.000 1.174 446 Y CA -1.002 57.181 58.100 0.138 0.000 1.057 446 Y CB 1.294 39.799 38.460 0.074 0.000 1.322 446 Y HN 1.220 nan 8.280 nan 0.000 0.457 447 V N 0.046 120.107 119.914 0.245 0.000 2.841 447 V HA 0.829 4.952 4.120 0.004 0.000 0.310 447 V C -1.279 174.951 176.094 0.228 0.000 1.090 447 V CA -0.688 61.711 62.300 0.164 0.000 0.930 447 V CB 1.737 33.644 31.823 0.140 0.000 1.014 447 V HN 1.183 nan 8.190 nan 0.000 0.425 448 Q N 1.749 121.662 119.800 0.188 0.000 2.309 448 Q HA 0.544 4.886 4.340 0.004 0.000 0.273 448 Q C -2.240 173.830 176.000 0.117 0.000 1.040 448 Q CA -0.393 55.506 55.803 0.161 0.000 0.834 448 Q CB 2.694 31.522 28.738 0.151 0.000 1.345 448 Q HN 1.041 nan 8.270 nan 0.000 0.414 449 D N 2.427 122.890 120.400 0.105 0.000 2.481 449 D HA 0.181 4.823 4.640 0.004 0.000 0.246 449 D C -1.127 175.182 176.300 0.015 0.000 1.109 449 D CA -0.169 53.873 54.000 0.071 0.000 0.845 449 D CB 1.368 42.246 40.800 0.130 0.000 1.160 449 D HN 0.391 nan 8.370 nan 0.000 0.534 450 Q N 2.492 122.271 119.800 -0.035 0.000 2.571 450 Q HA 0.507 4.849 4.340 0.004 0.000 0.222 450 Q C -0.776 175.141 176.000 -0.138 0.000 1.167 450 Q CA -0.652 55.113 55.803 -0.063 0.000 0.966 450 Q CB 1.371 30.077 28.738 -0.053 0.000 1.274 450 Q HN 0.477 nan 8.270 nan 0.000 0.552 451 A N 3.019 125.741 122.820 -0.162 0.000 2.276 451 A HA 0.307 4.629 4.320 0.004 0.000 0.300 451 A C -0.495 177.009 177.584 -0.134 0.000 1.235 451 A CA -0.363 51.505 52.037 -0.283 0.000 0.867 451 A CB 0.730 19.536 19.000 -0.324 0.000 1.137 451 A HN 0.640 nan 8.150 nan 0.000 0.527 452 Q N 2.508 122.237 119.800 -0.119 0.000 2.325 452 Q HA 0.329 4.671 4.340 0.004 0.000 0.270 452 Q C -1.675 174.371 176.000 0.078 0.000 1.020 452 Q CA -0.539 55.255 55.803 -0.016 0.000 0.785 452 Q CB 1.306 30.027 28.738 -0.028 0.000 1.259 452 Q HN 0.801 nan 8.270 nan 0.000 0.452 453 W N 7.271 128.522 121.300 -0.081 0.000 2.296 453 W HA 0.244 4.906 4.660 0.004 0.000 0.333 453 W C 0.250 176.732 176.519 -0.061 0.000 0.931 453 W CA -0.736 56.579 57.345 -0.050 0.000 1.538 453 W CB -0.473 28.971 29.460 -0.028 0.000 1.417 453 W HN 1.027 nan 8.180 nan 0.000 0.380 454 D N 2.198 122.758 120.400 0.266 0.000 4.429 454 D HA -0.343 4.299 4.640 0.004 0.000 0.235 454 D C 1.183 177.465 176.300 -0.030 0.000 1.091 454 D CA 2.720 56.786 54.000 0.111 0.000 2.197 454 D CB -0.493 40.384 40.800 0.129 0.000 1.181 454 D HN 0.387 nan 8.370 nan 0.000 0.415 455 K N 0.026 120.338 120.400 -0.147 0.000 2.365 455 K HA 0.186 4.508 4.320 0.004 0.000 0.195 455 K C 0.849 177.180 176.600 -0.448 0.000 1.079 455 K CA 0.662 56.745 56.287 -0.340 0.000 0.979 455 K CB 0.988 33.189 32.500 -0.498 0.000 0.929 455 K HN 0.442 nan 8.250 nan 0.000 0.523 456 V N -0.410 119.339 119.914 -0.275 0.000 2.630 456 V HA 0.541 4.663 4.120 0.004 0.000 0.305 456 V C -0.227 175.843 176.094 -0.040 0.000 1.046 456 V CA -0.986 61.211 62.300 -0.171 0.000 0.934 456 V CB 2.178 33.955 31.823 -0.077 0.000 1.003 456 V HN -0.002 nan 8.190 nan 0.000 0.451 457 L N 5.566 126.767 121.223 -0.037 0.000 2.377 457 L HA 0.605 4.947 4.340 0.004 0.000 0.270 457 L C -0.668 176.190 176.870 -0.021 0.000 0.991 457 L CA -0.605 54.218 54.840 -0.028 0.000 0.851 457 L CB 1.725 43.757 42.059 -0.045 0.000 1.218 457 L HN 0.858 nan 8.230 nan 0.000 0.420 458 V N 1.461 121.373 119.914 -0.003 0.000 2.370 458 V HA 0.592 4.714 4.120 0.004 0.000 0.283 458 V C 0.308 176.406 176.094 0.007 0.000 1.023 458 V CA -0.417 61.889 62.300 0.012 0.000 0.857 458 V CB 0.997 32.855 31.823 0.058 0.000 0.985 458 V HN 0.795 nan 8.190 nan 0.000 0.443 459 T N 3.859 118.421 114.554 0.013 0.000 2.771 459 T HA 0.752 5.104 4.350 0.004 0.000 0.281 459 T C -0.623 174.128 174.700 0.085 0.000 0.982 459 T CA -0.529 61.586 62.100 0.024 0.000 0.978 459 T CB 1.551 70.415 68.868 -0.007 0.000 0.930 459 T HN 0.766 nan 8.240 nan 0.000 0.447 460 L N 2.684 123.977 121.223 0.117 0.000 2.482 460 L HA 0.736 5.078 4.340 0.004 0.000 0.269 460 L C -0.256 176.738 176.870 0.206 0.000 0.967 460 L CA -0.367 54.593 54.840 0.199 0.000 0.851 460 L CB 1.512 43.693 42.059 0.203 0.000 1.242 460 L HN 1.056 nan 8.230 nan 0.000 0.404 461 G N 1.997 110.947 108.800 0.249 0.000 2.692 461 G HA2 0.758 4.720 3.960 0.004 0.000 0.291 461 G HA3 0.758 4.720 3.960 0.004 0.000 0.291 461 G C -1.430 173.640 174.900 0.283 0.000 1.423 461 G CA -0.300 44.940 45.100 0.233 0.000 0.843 461 G HN 0.796 nan 8.290 nan 0.000 0.486 462 G N -0.938 108.024 108.800 0.270 0.000 2.690 462 G HA2 0.739 4.701 3.960 0.004 0.000 0.293 462 G HA3 0.739 4.701 3.960 0.004 0.000 0.293 462 G C -1.452 173.568 174.900 0.200 0.000 1.399 462 G CA -0.764 44.467 45.100 0.219 0.000 0.890 462 G HN 0.708 nan 8.290 nan 0.000 0.485 463 R N -0.080 120.420 120.500 0.001 0.000 2.566 463 R HA 0.491 4.834 4.340 0.004 0.000 0.271 463 R C -2.225 174.149 176.300 0.124 0.000 1.071 463 R CA -0.808 55.383 56.100 0.151 0.000 0.915 463 R CB 1.983 32.327 30.300 0.072 0.000 1.228 463 R HN 0.533 nan 8.270 nan 0.000 0.449 464 Y N 2.504 122.871 120.300 0.112 0.000 2.360 464 Y HA 0.410 4.962 4.550 0.004 0.000 0.337 464 Y C -0.806 174.968 175.900 -0.209 0.000 1.039 464 Y CA -0.104 57.947 58.100 -0.082 0.000 1.109 464 Y CB 1.622 39.954 38.460 -0.214 0.000 1.201 464 Y HN 0.562 nan 8.280 nan 0.000 0.458 465 D N 4.763 124.843 120.400 -0.535 0.000 2.646 465 D HA 0.172 4.815 4.640 0.004 0.000 0.245 465 D C -1.190 174.937 176.300 -0.289 0.000 1.099 465 D CA -0.233 53.659 54.000 -0.180 0.000 0.849 465 D CB 1.539 42.395 40.800 0.093 0.000 1.448 465 D HN 0.564 nan 8.370 nan 0.000 0.489 466 W N 1.426 122.806 121.300 0.133 0.000 2.299 466 W HA 0.473 5.135 4.660 0.004 0.000 0.319 466 W C -0.428 176.171 176.519 0.134 0.000 1.008 466 W CA -0.820 56.602 57.345 0.130 0.000 1.384 466 W CB 1.485 31.052 29.460 0.178 0.000 1.220 466 W HN 0.313 nan 8.180 nan 0.000 0.402 467 A N 3.523 126.504 122.820 0.269 0.000 2.690 467 A HA 0.375 4.697 4.320 0.004 0.000 0.342 467 A C -0.404 177.291 177.584 0.184 0.000 1.410 467 A CA -0.428 51.745 52.037 0.227 0.000 0.958 467 A CB -0.073 19.076 19.000 0.248 0.000 1.153 467 A HN 0.345 nan 8.150 nan 0.000 0.497 468 D N 1.825 122.336 120.400 0.185 0.000 2.256 468 D HA 0.434 5.076 4.640 0.004 0.000 0.250 468 D C 0.354 176.722 176.300 0.112 0.000 1.093 468 D CA 0.302 54.390 54.000 0.146 0.000 0.882 468 D CB 1.159 42.051 40.800 0.153 0.000 1.185 468 D HN 0.746 nan 8.370 nan 0.000 0.437 469 Q N -0.235 119.619 119.800 0.091 0.000 2.456 469 Q HA 0.701 5.043 4.340 0.004 0.000 0.283 469 Q C -1.174 174.860 176.000 0.057 0.000 1.084 469 Q CA -1.049 54.796 55.803 0.070 0.000 0.801 469 Q CB 2.837 31.613 28.738 0.064 0.000 1.434 469 Q HN 0.343 nan 8.270 nan 0.000 0.419 470 E N 0.867 121.094 120.200 0.044 0.000 2.335 470 E HA 0.429 4.781 4.350 0.004 0.000 0.280 470 E C -1.944 174.667 176.600 0.017 0.000 0.918 470 E CA -0.500 55.919 56.400 0.032 0.000 0.765 470 E CB 2.329 32.052 29.700 0.039 0.000 1.218 470 E HN 0.607 nan 8.360 nan 0.000 0.425 471 S N 4.378 120.078 115.700 0.001 0.000 2.594 471 S HA 0.512 4.985 4.470 0.004 0.000 0.296 471 S C -1.642 172.937 174.600 -0.035 0.000 1.124 471 S CA -0.750 57.438 58.200 -0.020 0.000 1.011 471 S CB 1.005 64.187 63.200 -0.029 0.000 1.016 471 S HN 0.462 nan 8.310 nan 0.000 0.485 472 L N 5.235 126.433 121.223 -0.043 0.000 2.272 472 L HA 0.590 4.933 4.340 0.004 0.000 0.289 472 L C -0.224 176.592 176.870 -0.091 0.000 1.032 472 L CA -0.169 54.641 54.840 -0.050 0.000 0.810 472 L CB 1.232 43.274 42.059 -0.028 0.000 1.205 472 L HN 0.741 nan 8.230 nan 0.000 0.422 473 N N 3.784 122.424 118.700 -0.101 0.000 2.767 473 N HA 0.093 4.835 4.740 0.004 0.000 0.238 473 N C 1.046 176.488 175.510 -0.113 0.000 1.083 473 N CA -0.085 52.874 53.050 -0.152 0.000 0.964 473 N CB 0.409 38.806 38.487 -0.150 0.000 1.252 473 N HN 0.673 nan 8.380 nan 0.000 0.512 474 R N 1.623 122.062 120.500 -0.101 0.000 2.119 474 R HA -0.094 4.248 4.340 0.004 0.000 0.246 474 R C 1.313 177.584 176.300 -0.048 0.000 1.146 474 R CA 1.282 57.349 56.100 -0.055 0.000 0.962 474 R CB -0.384 29.896 30.300 -0.033 0.000 0.863 474 R HN 0.337 nan 8.270 nan 0.000 0.442 475 V N -0.602 119.266 119.914 -0.077 0.000 3.413 475 V HA 0.354 4.476 4.120 0.004 0.000 0.344 475 V C 0.121 176.177 176.094 -0.063 0.000 1.225 475 V CA 0.925 63.191 62.300 -0.057 0.000 1.324 475 V CB 0.234 32.012 31.823 -0.074 0.000 1.161 475 V HN 0.468 nan 8.190 nan 0.000 0.432 476 A N -0.815 121.971 122.820 -0.058 0.000 2.631 476 A HA 0.472 4.794 4.320 0.004 0.000 0.179 476 A C 1.690 179.252 177.584 -0.036 0.000 1.492 476 A CA 0.717 52.724 52.037 -0.050 0.000 1.077 476 A CB -0.359 18.599 19.000 -0.072 0.000 1.249 476 A HN 1.488 nan 8.150 nan 0.000 0.466 477 G N 0.013 108.793 108.800 -0.034 0.000 2.257 477 G HA2 -0.280 3.682 3.960 0.004 0.000 0.267 477 G HA3 -0.280 3.682 3.960 0.004 0.000 0.267 477 G C 0.521 175.405 174.900 -0.026 0.000 0.984 477 G CA 1.013 46.099 45.100 -0.023 0.000 0.626 477 G HN 1.207 nan 8.290 nan 0.000 0.540 478 T N 1.193 115.725 114.554 -0.037 0.000 2.867 478 T HA 0.437 4.789 4.350 0.004 0.000 0.297 478 T C 0.369 175.045 174.700 -0.040 0.000 0.989 478 T CA 1.326 63.405 62.100 -0.036 0.000 1.159 478 T CB 1.367 70.208 68.868 -0.046 0.000 0.928 478 T HN 0.722 nan 8.240 nan 0.000 0.538 479 T N 4.036 118.574 114.554 -0.027 0.000 3.078 479 T HA 0.279 4.631 4.350 0.004 0.000 0.328 479 T C -1.397 173.293 174.700 -0.016 0.000 0.987 479 T CA -1.053 61.033 62.100 -0.023 0.000 1.049 479 T CB 0.203 69.063 68.868 -0.014 0.000 1.011 479 T HN 0.591 nan 8.240 nan 0.000 0.463 480 D N 4.724 125.112 120.400 -0.019 0.000 2.168 480 D HA 0.517 5.159 4.640 0.004 0.000 0.246 480 D C -0.087 176.210 176.300 -0.005 0.000 1.050 480 D CA -0.673 53.318 54.000 -0.015 0.000 0.857 480 D CB 2.116 42.901 40.800 -0.024 0.000 1.169 480 D HN 0.746 nan 8.370 nan 0.000 0.453 481 K N 0.327 120.730 120.400 0.004 0.000 2.469 481 K HA 0.792 5.114 4.320 0.004 0.000 0.268 481 K C -0.901 175.715 176.600 0.026 0.000 1.027 481 K CA -1.222 55.077 56.287 0.019 0.000 0.893 481 K CB 3.065 35.581 32.500 0.027 0.000 1.460 481 K HN 0.424 nan 8.250 nan 0.000 0.449 482 R N 0.687 121.214 120.500 0.044 0.000 2.664 482 R HA 0.230 4.572 4.340 0.004 0.000 0.260 482 R C -2.029 174.317 176.300 0.077 0.000 1.062 482 R CA -0.487 55.645 56.100 0.053 0.000 0.902 482 R CB 1.739 32.067 30.300 0.046 0.000 1.258 482 R HN 0.819 nan 8.270 nan 0.000 0.465 483 D N 2.078 122.529 120.400 0.085 0.000 2.362 483 D HA 0.383 5.025 4.640 0.004 0.000 0.247 483 D C -1.290 175.070 176.300 0.101 0.000 1.050 483 D CA -0.221 53.848 54.000 0.115 0.000 0.839 483 D CB 2.167 43.048 40.800 0.135 0.000 1.283 483 D HN 0.426 nan 8.370 nan 0.000 0.477 484 D N 0.529 120.988 120.400 0.099 0.000 2.457 484 D HA 0.478 5.121 4.640 0.004 0.000 0.240 484 D C -0.691 175.568 176.300 -0.068 0.000 1.041 484 D CA -0.727 53.281 54.000 0.013 0.000 0.861 484 D CB 1.657 42.452 40.800 -0.009 0.000 1.394 484 D HN -0.175 nan 8.370 nan 0.000 0.473 485 K N 1.622 121.911 120.400 -0.185 0.000 2.521 485 K HA 0.473 4.795 4.320 0.004 0.000 0.248 485 K C -1.263 174.961 176.600 -0.627 0.000 0.978 485 K CA -0.615 55.438 56.287 -0.391 0.000 0.947 485 K CB 1.392 33.837 32.500 -0.093 0.000 1.165 485 K HN 0.156 nan 8.250 nan 0.000 0.445 486 Q N 1.828 121.044 119.800 -0.973 0.000 2.356 486 Q HA 0.529 4.871 4.340 0.004 0.000 0.270 486 Q C -1.709 173.735 176.000 -0.927 0.000 1.058 486 Q CA -0.736 54.497 55.803 -0.949 0.000 0.802 486 Q CB 1.280 29.146 28.738 -1.452 0.000 1.303 486 Q HN 0.475 nan 8.270 nan 0.000 0.444 487 F N 1.484 121.070 119.950 -0.607 0.000 2.436 487 F HA 0.748 5.277 4.527 0.004 0.000 0.340 487 F C -0.744 175.026 175.800 -0.051 0.000 1.113 487 F CA -0.283 57.570 58.000 -0.244 0.000 1.022 487 F CB 1.766 40.814 39.000 0.079 0.000 1.128 487 F HN 0.392 nan 8.300 nan 0.000 0.466 488 T N 7.352 121.386 114.554 -0.866 0.000 2.952 488 T HA 0.561 4.913 4.350 0.004 0.000 0.305 488 T C -1.425 172.879 174.700 -0.660 0.000 1.064 488 T CA -0.419 61.356 62.100 -0.541 0.000 1.008 488 T CB 0.591 69.330 68.868 -0.215 0.000 1.078 488 T HN 0.752 nan 8.240 nan 0.000 0.459 489 W N 4.350 125.341 121.300 -0.515 0.000 3.055 489 W HA 0.834 5.496 4.660 0.003 0.000 0.340 489 W C -1.560 174.884 176.519 -0.124 0.000 1.180 489 W CA -1.359 55.826 57.345 -0.267 0.000 1.077 489 W CB 1.073 30.527 29.460 -0.010 0.000 1.479 489 W HN 0.925 nan 8.180 nan 0.000 0.593 490 R N 0.562 121.010 120.500 -0.086 0.000 2.629 490 R HA 0.559 4.901 4.340 0.004 0.000 0.266 490 R C -1.316 175.023 176.300 0.065 0.000 1.051 490 R CA -0.303 55.598 56.100 -0.332 0.000 0.895 490 R CB 1.701 31.852 30.300 -0.249 0.000 1.246 490 R HN 0.948 nan 8.270 nan 0.000 0.459 491 G N 0.589 109.393 108.800 0.007 0.000 2.682 491 G HA2 0.698 4.660 3.960 0.004 0.000 0.300 491 G HA3 0.698 4.660 3.960 0.004 0.000 0.300 491 G C -1.300 173.685 174.900 0.142 0.000 1.391 491 G CA -0.419 44.828 45.100 0.245 0.000 0.990 491 G HN 0.777 nan 8.290 nan 0.000 0.501 492 G N -1.236 107.605 108.800 0.069 0.000 2.623 492 G HA2 0.752 4.714 3.960 0.004 0.000 0.290 492 G HA3 0.752 4.714 3.960 0.004 0.000 0.290 492 G C -1.702 173.086 174.900 -0.186 0.000 1.437 492 G CA -0.392 44.661 45.100 -0.078 0.000 0.798 492 G HN 1.338 nan 8.290 nan 0.000 0.488 493 V N 0.246 119.919 119.914 -0.401 0.000 2.888 493 V HA 0.615 4.737 4.120 0.004 0.000 0.309 493 V C -1.113 174.903 176.094 -0.130 0.000 1.114 493 V CA -1.248 60.878 62.300 -0.289 0.000 0.940 493 V CB 2.146 33.734 31.823 -0.390 0.000 1.021 493 V HN 0.714 nan 8.190 nan 0.000 0.426 494 N N 1.868 120.557 118.700 -0.018 0.000 2.410 494 N HA 0.373 5.115 4.740 0.004 0.000 0.287 494 N C -1.868 173.697 175.510 0.092 0.000 1.044 494 N CA -0.407 52.682 53.050 0.065 0.000 0.881 494 N CB 2.743 41.230 38.487 0.000 0.000 1.405 494 N HN 0.817 nan 8.380 nan 0.000 0.490 495 Y N 2.367 122.721 120.300 0.091 0.000 2.367 495 Y HA 0.322 4.874 4.550 0.004 0.000 0.342 495 Y C 0.091 176.109 175.900 0.196 0.000 0.979 495 Y CA -0.536 57.655 58.100 0.151 0.000 1.161 495 Y CB 0.675 39.271 38.460 0.226 0.000 1.155 495 Y HN 0.431 nan 8.280 nan 0.000 0.503 496 L N 7.955 129.196 121.223 0.029 0.000 2.423 496 L HA 0.161 4.503 4.340 0.004 0.000 0.249 496 L C -0.669 176.413 176.870 0.353 0.000 1.276 496 L CA -0.425 54.508 54.840 0.155 0.000 1.199 496 L CB -0.822 41.239 42.059 0.003 0.000 1.407 496 L HN 0.505 nan 8.230 nan 0.000 0.410 497 F N 2.148 122.230 119.950 0.221 0.000 2.593 497 F HA -0.091 4.438 4.527 0.004 0.000 0.393 497 F C 1.832 177.699 175.800 0.112 0.000 1.037 497 F CA -0.604 57.511 58.000 0.193 0.000 1.195 497 F CB 0.088 39.181 39.000 0.156 0.000 1.034 497 F HN 0.523 nan 8.300 nan 0.000 0.552 498 D N 1.701 122.220 120.400 0.198 0.000 2.420 498 D HA -0.202 4.440 4.640 0.004 0.000 0.233 498 D C 0.970 177.353 176.300 0.138 0.000 1.017 498 D CA 0.656 54.731 54.000 0.125 0.000 0.951 498 D CB -0.552 40.285 40.800 0.062 0.000 0.877 498 D HN 0.585 nan 8.370 nan 0.000 0.528 499 N N -0.264 118.558 118.700 0.204 0.000 2.205 499 N HA 0.071 4.814 4.740 0.004 0.000 0.201 499 N C 1.245 176.907 175.510 0.254 0.000 1.128 499 N CA 0.852 54.018 53.050 0.194 0.000 0.867 499 N CB 0.890 39.488 38.487 0.185 0.000 0.996 499 N HN 0.303 nan 8.380 nan 0.000 0.503 500 G N 1.036 109.989 108.800 0.255 0.000 2.472 500 G HA2 -0.210 3.752 3.960 0.004 0.000 0.217 500 G HA3 -0.210 3.752 3.960 0.004 0.000 0.217 500 G C -0.076 174.984 174.900 0.267 0.000 2.125 500 G CA 0.132 45.392 45.100 0.266 0.000 1.637 500 G HN 0.923 nan 8.290 nan 0.000 0.548 501 V N 0.909 121.016 119.914 0.322 0.000 2.964 501 V HA 0.338 4.460 4.120 0.004 0.000 0.286 501 V C -0.006 176.081 176.094 -0.011 0.000 1.363 501 V CA 1.371 63.738 62.300 0.112 0.000 1.411 501 V CB -0.211 31.540 31.823 -0.119 0.000 0.835 501 V HN 1.240 nan 8.190 nan 0.000 0.487 502 T N 8.844 123.405 114.554 0.011 0.000 2.890 502 T HA 0.564 4.916 4.350 0.004 0.000 0.295 502 T C -2.594 172.158 174.700 0.088 0.000 0.993 502 T CA -0.644 61.474 62.100 0.031 0.000 0.979 502 T CB 2.054 70.963 68.868 0.068 0.000 0.967 502 T HN 0.842 nan 8.240 nan 0.000 0.441 503 P HA 0.583 nan 4.420 nan 0.000 0.290 503 P C -1.585 175.866 177.300 0.251 0.000 1.275 503 P CA -0.559 62.596 63.100 0.092 0.000 0.841 503 P CB 1.251 32.917 31.700 -0.057 0.000 1.042 504 Y N 0.305 120.641 120.300 0.060 0.000 2.750 504 Y HA 0.772 5.324 4.550 0.004 0.000 0.335 504 Y C -1.925 174.064 175.900 0.149 0.000 1.252 504 Y CA -1.485 56.634 58.100 0.031 0.000 1.064 504 Y CB 0.992 39.434 38.460 -0.029 0.000 1.321 504 Y HN 0.450 nan 8.280 nan 0.000 0.451 505 F N 0.049 120.017 119.950 0.030 0.000 2.678 505 F HA 0.879 5.408 4.527 0.004 0.000 0.308 505 F C -1.400 174.515 175.800 0.191 0.000 1.118 505 F CA -0.543 57.447 58.000 -0.016 0.000 0.959 505 F CB 1.693 40.686 39.000 -0.012 0.000 1.305 505 F HN 1.083 nan 8.300 nan 0.000 0.443 506 S N 1.508 117.459 115.700 0.418 0.000 2.565 506 S HA 0.651 5.123 4.470 0.004 0.000 0.269 506 S C -2.351 172.436 174.600 0.313 0.000 1.153 506 S CA -0.750 57.630 58.200 0.300 0.000 0.835 506 S CB 1.838 65.129 63.200 0.152 0.000 1.122 506 S HN 1.345 nan 8.310 nan 0.000 0.462 507 Y N 2.168 122.501 120.300 0.055 0.000 2.328 507 Y HA 0.689 5.241 4.550 0.004 0.000 0.336 507 Y C -0.600 175.070 175.900 -0.385 0.000 0.960 507 Y CA -0.353 57.649 58.100 -0.164 0.000 1.134 507 Y CB 1.714 40.073 38.460 -0.169 0.000 1.166 507 Y HN 1.037 nan 8.280 nan 0.000 0.464 508 S N 4.521 119.616 115.700 -1.008 0.000 2.521 508 S HA 0.620 5.092 4.470 0.004 0.000 0.295 508 S C -1.071 172.923 174.600 -1.010 0.000 1.098 508 S CA -1.073 56.593 58.200 -0.888 0.000 0.999 508 S CB 2.192 65.106 63.200 -0.476 0.000 1.034 508 S HN 0.745 nan 8.310 nan 0.000 0.483 509 E N 0.875 120.574 120.200 -0.835 0.000 2.222 509 E HA 0.726 5.078 4.350 0.004 0.000 0.267 509 E C -0.476 175.913 176.600 -0.352 0.000 0.963 509 E CA -0.685 55.367 56.400 -0.580 0.000 0.837 509 E CB 1.902 31.303 29.700 -0.499 0.000 1.183 509 E HN 0.816 nan 8.360 nan 0.000 0.403 510 S N 1.172 116.732 115.700 -0.234 0.000 2.625 510 S HA 0.767 5.240 4.470 0.004 0.000 0.271 510 S C -1.558 173.042 174.600 -0.001 0.000 1.161 510 S CA -0.863 57.238 58.200 -0.165 0.000 0.820 510 S CB 1.246 64.293 63.200 -0.254 0.000 1.137 510 S HN 0.562 nan 8.310 nan 0.000 0.470 511 F N -0.572 119.275 119.950 -0.173 0.000 2.704 511 F HA 0.720 5.249 4.527 0.004 0.000 0.312 511 F C -1.943 173.796 175.800 -0.102 0.000 1.108 511 F CA -0.608 57.313 58.000 -0.131 0.000 1.005 511 F CB 0.742 39.669 39.000 -0.121 0.000 1.277 511 F HN 0.903 nan 8.300 nan 0.000 0.445 512 E N 3.337 123.495 120.200 -0.070 0.000 2.278 512 E HA 0.629 4.981 4.350 0.004 0.000 0.272 512 E C -3.404 173.248 176.600 0.087 0.000 0.890 512 E CA -2.265 54.043 56.400 -0.154 0.000 0.770 512 E CB 2.661 32.265 29.700 -0.159 0.000 1.212 512 E HN 0.323 nan 8.360 nan 0.000 0.415 513 P HA 0.058 nan 4.420 nan 0.000 0.274 513 P C -0.647 176.723 177.300 0.116 0.000 1.246 513 P CA -0.492 62.706 63.100 0.164 0.000 0.795 513 P CB 1.038 32.844 31.700 0.176 0.000 1.006 514 S N -0.299 115.489 115.700 0.146 0.000 2.525 514 S HA 0.315 4.787 4.470 0.004 0.000 0.290 514 S C 0.965 175.646 174.600 0.135 0.000 1.152 514 S CA -0.292 58.005 58.200 0.163 0.000 1.072 514 S CB 0.172 63.534 63.200 0.269 0.000 1.027 514 S HN 0.427 nan 8.310 nan 0.000 0.500 515 S N 3.046 118.818 115.700 0.119 0.000 2.535 515 S HA 0.230 4.702 4.470 0.004 0.000 0.214 515 S C 0.330 174.980 174.600 0.083 0.000 0.980 515 S CA -0.381 57.869 58.200 0.085 0.000 0.907 515 S CB 0.008 63.251 63.200 0.072 0.000 0.790 515 S HN 0.670 nan 8.310 nan 0.000 0.510 516 Q N 1.337 121.220 119.800 0.139 0.000 2.260 516 Q HA 0.537 4.879 4.340 0.004 0.000 0.238 516 Q C -0.465 175.519 176.000 -0.026 0.000 0.948 516 Q CA -0.382 55.503 55.803 0.136 0.000 0.895 516 Q CB 1.726 30.636 28.738 0.287 0.000 1.218 516 Q HN 0.208 nan 8.270 nan 0.000 0.470 517 V N 0.289 120.160 119.914 -0.073 0.000 2.732 517 V HA 0.808 4.930 4.120 0.004 0.000 0.310 517 V C 0.079 176.001 176.094 -0.287 0.000 1.053 517 V CA -0.184 61.977 62.300 -0.231 0.000 0.957 517 V CB 1.736 33.535 31.823 -0.040 0.000 1.018 517 V HN 0.845 nan 8.190 nan 0.000 0.452 518 G N 2.834 111.297 108.800 -0.561 0.000 2.642 518 G HA2 0.296 4.258 3.960 0.004 0.000 0.291 518 G HA3 0.296 4.258 3.960 0.004 0.000 0.291 518 G C 0.318 175.053 174.900 -0.274 0.000 1.345 518 G CA -0.179 44.749 45.100 -0.287 0.000 1.043 518 G HN 0.841 nan 8.290 nan 0.000 0.528 519 K N -0.424 119.671 120.400 -0.509 0.000 2.362 519 K HA -0.079 4.243 4.320 0.004 0.000 0.200 519 K C 1.540 177.833 176.600 -0.513 0.000 1.046 519 K CA 1.586 57.245 56.287 -1.046 0.000 0.952 519 K CB 0.058 32.172 32.500 -0.644 0.000 0.753 519 K HN 0.564 nan 8.250 nan 0.000 0.466 520 D N -1.175 119.056 120.400 -0.281 0.000 2.317 520 D HA -0.030 4.612 4.640 0.004 0.000 0.211 520 D C 1.154 177.368 176.300 -0.144 0.000 0.966 520 D CA 0.997 54.897 54.000 -0.167 0.000 0.876 520 D CB 0.115 40.856 40.800 -0.098 0.000 0.927 520 D HN 0.336 nan 8.370 nan 0.000 0.519 521 G N 0.524 109.227 108.800 -0.162 0.000 2.141 521 G HA2 -0.213 3.749 3.960 0.004 0.000 0.231 521 G HA3 -0.213 3.749 3.960 0.004 0.000 0.231 521 G C -0.199 174.646 174.900 -0.091 0.000 0.984 521 G CA -0.287 44.759 45.100 -0.089 0.000 0.660 521 G HN 0.348 nan 8.290 nan 0.000 0.525 522 N N 0.550 119.163 118.700 -0.145 0.000 2.272 522 N HA 0.546 5.288 4.740 0.004 0.000 0.305 522 N C 0.586 175.949 175.510 -0.245 0.000 1.103 522 N CA -0.718 52.251 53.050 -0.136 0.000 0.791 522 N CB 1.511 39.945 38.487 -0.088 0.000 1.356 522 N HN 0.208 nan 8.380 nan 0.000 0.486 523 I N 0.433 120.904 120.570 -0.164 0.000 2.648 523 I HA 0.188 4.361 4.170 0.004 0.000 0.284 523 I C 0.700 176.739 176.117 -0.130 0.000 1.153 523 I CA -0.056 61.139 61.300 -0.176 0.000 1.426 523 I CB -0.880 37.101 38.000 -0.033 0.000 1.381 523 I HN 0.272 nan 8.210 nan 0.000 0.571 524 F N 3.177 123.166 119.950 0.065 0.000 2.587 524 F HA 0.315 4.844 4.527 0.004 0.000 0.327 524 F C 1.316 177.149 175.800 0.054 0.000 1.232 524 F CA -0.064 57.972 58.000 0.060 0.000 1.353 524 F CB 0.052 39.094 39.000 0.069 0.000 1.156 524 F HN 0.644 nan 8.300 nan 0.000 0.599 525 A N 1.575 124.570 122.820 0.292 0.000 2.351 525 A HA 0.471 4.793 4.320 0.004 0.000 0.257 525 A C -2.393 175.279 177.584 0.148 0.000 1.087 525 A CA -1.461 50.673 52.037 0.161 0.000 0.798 525 A CB -0.589 18.480 19.000 0.114 0.000 1.033 525 A HN 0.454 nan 8.150 nan 0.000 0.488 526 P HA 0.110 nan 4.420 nan 0.000 0.266 526 P C 0.044 177.415 177.300 0.118 0.000 1.195 526 P CA 0.158 63.351 63.100 0.156 0.000 0.768 526 P CB 0.690 32.506 31.700 0.194 0.000 0.838 527 S N 2.776 118.539 115.700 0.106 0.000 2.617 527 S HA 0.399 4.871 4.470 0.004 0.000 0.269 527 S C -0.197 174.436 174.600 0.056 0.000 1.292 527 S CA -0.414 57.818 58.200 0.053 0.000 1.010 527 S CB 0.700 63.913 63.200 0.022 0.000 0.944 527 S HN 0.257 nan 8.310 nan 0.000 0.536 528 K N 0.222 120.629 120.400 0.013 0.000 2.328 528 K HA 0.664 4.986 4.320 0.004 0.000 0.246 528 K C -0.432 176.117 176.600 -0.085 0.000 0.955 528 K CA -0.878 55.408 56.287 -0.002 0.000 0.817 528 K CB 2.205 34.711 32.500 0.011 0.000 1.208 528 K HN 0.829 nan 8.250 nan 0.000 0.432 529 G N 2.000 110.722 108.800 -0.130 0.000 2.702 529 G HA2 0.458 4.420 3.960 0.004 0.000 0.295 529 G HA3 0.458 4.420 3.960 0.004 0.000 0.295 529 G C -1.217 173.535 174.900 -0.247 0.000 1.446 529 G CA -0.459 44.505 45.100 -0.228 0.000 0.983 529 G HN 0.224 nan 8.290 nan 0.000 0.520 530 K N 1.098 121.364 120.400 -0.222 0.000 2.259 530 K HA 0.695 5.017 4.320 0.004 0.000 0.252 530 K C -0.310 176.117 176.600 -0.288 0.000 0.936 530 K CA -0.674 55.449 56.287 -0.272 0.000 0.810 530 K CB 2.279 34.719 32.500 -0.100 0.000 1.143 530 K HN 0.499 nan 8.250 nan 0.000 0.427 531 Q N 2.346 121.886 119.800 -0.434 0.000 2.352 531 Q HA 0.313 4.656 4.340 0.004 0.000 0.270 531 Q C -1.628 174.211 176.000 -0.267 0.000 1.006 531 Q CA -0.641 55.003 55.803 -0.265 0.000 0.880 531 Q CB 1.378 29.980 28.738 -0.227 0.000 1.392 531 Q HN 0.607 nan 8.270 nan 0.000 0.401 532 Y N 0.914 121.281 120.300 0.112 0.000 2.429 532 Y HA 0.548 5.101 4.550 0.004 0.000 0.342 532 Y C -0.110 175.876 175.900 0.143 0.000 1.004 532 Y CA -0.561 57.637 58.100 0.163 0.000 1.075 532 Y CB 2.179 40.730 38.460 0.152 0.000 1.214 532 Y HN 0.569 nan 8.280 nan 0.000 0.455 533 E N 1.273 121.660 120.200 0.311 0.000 2.366 533 E HA 0.738 5.091 4.350 0.004 0.000 0.278 533 E C -2.084 174.594 176.600 0.130 0.000 0.923 533 E CA -0.698 55.837 56.400 0.225 0.000 0.761 533 E CB 2.566 32.398 29.700 0.221 0.000 1.231 533 E HN 0.434 nan 8.360 nan 0.000 0.443 534 V N 1.922 121.838 119.914 0.003 0.000 2.686 534 V HA 0.875 4.997 4.120 0.004 0.000 0.306 534 V C -0.004 175.906 176.094 -0.306 0.000 1.065 534 V CA 0.079 62.280 62.300 -0.166 0.000 0.894 534 V CB 1.744 33.524 31.823 -0.073 0.000 1.004 534 V HN 0.819 nan 8.190 nan 0.000 0.424 535 G N 2.780 111.171 108.800 -0.681 0.000 2.495 535 G HA2 0.683 4.645 3.960 0.004 0.000 0.294 535 G HA3 0.683 4.645 3.960 0.004 0.000 0.294 535 G C -1.564 173.214 174.900 -0.202 0.000 1.397 535 G CA 0.127 45.004 45.100 -0.371 0.000 0.790 535 G HN 1.358 nan 8.290 nan 0.000 0.486 536 V N -2.519 117.476 119.914 0.135 0.000 2.841 536 V HA 0.894 5.017 4.120 0.004 0.000 0.310 536 V C -0.896 175.331 176.094 0.222 0.000 1.090 536 V CA -1.341 61.076 62.300 0.196 0.000 0.930 536 V CB 1.772 33.617 31.823 0.037 0.000 1.014 536 V HN 0.795 nan 8.190 nan 0.000 0.425 537 K N 3.127 123.638 120.400 0.185 0.000 2.376 537 K HA 0.530 4.852 4.320 0.004 0.000 0.257 537 K C -1.880 174.815 176.600 0.158 0.000 0.939 537 K CA -0.664 55.699 56.287 0.126 0.000 0.809 537 K CB 2.468 34.987 32.500 0.031 0.000 1.121 537 K HN 0.796 nan 8.250 nan 0.000 0.425 538 Y N 2.856 123.160 120.300 0.006 0.000 2.385 538 Y HA 0.350 4.902 4.550 0.004 0.000 0.341 538 Y C -1.062 174.838 175.900 0.000 0.000 0.965 538 Y CA -1.164 56.937 58.100 0.002 0.000 1.180 538 Y CB 0.902 39.365 38.460 0.006 0.000 1.139 538 Y HN 0.276 nan 8.280 nan 0.000 0.502 539 V N 9.847 129.655 119.914 -0.177 0.000 2.454 539 V HA 0.272 4.394 4.120 0.004 0.000 0.267 539 V C -2.047 173.898 176.094 -0.248 0.000 0.993 539 V CA -1.370 60.762 62.300 -0.281 0.000 0.836 539 V CB 0.882 32.629 31.823 -0.128 0.000 1.055 539 V HN 0.683 nan 8.190 nan 0.000 0.452 540 P HA 0.193 nan 4.420 nan 0.000 0.296 540 P C 0.234 177.483 177.300 -0.085 0.000 1.295 540 P CA 0.255 63.258 63.100 -0.161 0.000 0.754 540 P CB 1.894 33.482 31.700 -0.187 0.000 1.311 541 E N -1.294 118.890 120.200 -0.026 0.000 2.354 541 E HA -0.028 4.324 4.350 0.004 0.000 0.203 541 E C 1.405 177.994 176.600 -0.018 0.000 0.841 541 E CA 0.648 57.037 56.400 -0.019 0.000 1.046 541 E CB -0.596 29.108 29.700 0.006 0.000 1.040 541 E HN 0.179 nan 8.360 nan 0.000 0.504 542 D N 0.934 121.334 120.400 -0.000 0.000 2.182 542 D HA -0.161 4.481 4.640 0.004 0.000 0.193 542 D C 0.505 176.796 176.300 -0.015 0.000 0.999 542 D CA 1.339 55.341 54.000 0.003 0.000 0.850 542 D CB -0.057 40.757 40.800 0.024 0.000 0.994 542 D HN 0.123 nan 8.370 nan 0.000 0.450 543 R N 0.486 120.971 120.500 -0.026 0.000 2.674 543 R HA 0.346 4.688 4.340 0.004 0.000 0.266 543 R C -2.219 174.038 176.300 -0.072 0.000 1.016 543 R CA -1.525 54.552 56.100 -0.039 0.000 1.062 543 R CB 1.210 31.496 30.300 -0.024 0.000 1.142 543 R HN 0.088 nan 8.270 nan 0.000 0.517 544 P HA 0.274 nan 4.420 nan 0.000 0.262 544 P C -0.786 176.466 177.300 -0.080 0.000 1.620 544 P CA 0.244 63.301 63.100 -0.071 0.000 1.089 544 P CB 0.223 31.894 31.700 -0.048 0.000 1.601 545 I N 2.065 122.555 120.570 -0.133 0.000 2.865 545 I HA 0.475 4.648 4.170 0.004 0.000 0.302 545 I C -0.405 175.599 176.117 -0.188 0.000 1.140 545 I CA -1.328 59.886 61.300 -0.144 0.000 1.021 545 I CB 3.083 40.969 38.000 -0.189 0.000 1.233 545 I HN -0.115 nan 8.210 nan 0.000 0.427 546 V N 5.056 124.899 119.914 -0.119 0.000 2.722 546 V HA 0.188 4.311 4.120 0.004 0.000 0.260 546 V C -0.530 175.555 176.094 -0.016 0.000 0.941 546 V CA -0.410 61.833 62.300 -0.095 0.000 0.888 546 V CB 1.721 33.500 31.823 -0.073 0.000 1.059 546 V HN 0.400 nan 8.190 nan 0.000 0.486 547 V N 3.155 123.088 119.914 0.032 0.000 2.481 547 V HA 0.693 4.815 4.120 0.004 0.000 0.286 547 V C 0.357 176.517 176.094 0.109 0.000 1.042 547 V CA 0.136 62.501 62.300 0.108 0.000 0.928 547 V CB 2.000 33.942 31.823 0.198 0.000 0.986 547 V HN 0.798 nan 8.190 nan 0.000 0.462 548 T N 3.259 117.870 114.554 0.095 0.000 3.032 548 T HA 0.680 5.032 4.350 0.004 0.000 0.312 548 T C -0.093 174.673 174.700 0.110 0.000 1.078 548 T CA -0.353 61.807 62.100 0.100 0.000 1.028 548 T CB 1.693 70.602 68.868 0.067 0.000 1.091 548 T HN 1.010 nan 8.240 nan 0.000 0.457 549 G N 0.979 109.855 108.800 0.127 0.000 2.563 549 G HA2 0.877 4.839 3.960 0.004 0.000 0.302 549 G HA3 0.877 4.839 3.960 0.004 0.000 0.302 549 G C -1.524 173.458 174.900 0.136 0.000 1.301 549 G CA -0.617 44.553 45.100 0.116 0.000 0.965 549 G HN 0.998 nan 8.290 nan 0.000 0.480 550 A N -0.499 122.397 122.820 0.126 0.000 2.605 550 A HA 0.788 5.110 4.320 0.004 0.000 0.294 550 A C -1.688 175.967 177.584 0.118 0.000 1.062 550 A CA -0.474 51.643 52.037 0.133 0.000 0.682 550 A CB 1.767 20.899 19.000 0.221 0.000 1.278 550 A HN 2.030 nan 8.150 nan 0.000 0.410 551 V N 2.344 122.306 119.914 0.079 0.000 2.709 551 V HA 0.898 5.020 4.120 0.004 0.000 0.308 551 V C -1.451 174.681 176.094 0.064 0.000 1.062 551 V CA -0.469 61.832 62.300 0.003 0.000 0.901 551 V CB 1.648 33.450 31.823 -0.034 0.000 1.003 551 V HN 1.635 nan 8.190 nan 0.000 0.425 552 Y N 3.680 124.012 120.300 0.052 0.000 2.677 552 Y HA 0.662 5.214 4.550 0.004 0.000 0.334 552 Y C -0.943 174.999 175.900 0.070 0.000 1.154 552 Y CA -1.429 56.709 58.100 0.062 0.000 1.070 552 Y CB 1.678 40.164 38.460 0.044 0.000 1.294 552 Y HN 0.562 nan 8.280 nan 0.000 0.475 553 N N 1.739 120.642 118.700 0.339 0.000 2.571 553 N HA 0.362 5.104 4.740 0.004 0.000 0.286 553 N C -2.495 173.176 175.510 0.268 0.000 1.138 553 N CA -0.251 52.955 53.050 0.261 0.000 0.859 553 N CB 1.955 40.560 38.487 0.198 0.000 1.414 553 N HN 0.860 nan 8.380 nan 0.000 0.529 554 L N 3.276 124.657 121.223 0.263 0.000 2.346 554 L HA 0.695 5.037 4.340 0.004 0.000 0.276 554 L C -0.698 176.210 176.870 0.063 0.000 1.006 554 L CA -0.102 54.788 54.840 0.082 0.000 0.817 554 L CB 1.755 43.823 42.059 0.015 0.000 1.272 554 L HN 0.543 nan 8.230 nan 0.000 0.421 555 T N 1.247 115.773 114.554 -0.047 0.000 3.011 555 T HA 0.369 4.721 4.350 0.004 0.000 0.303 555 T C -0.792 173.831 174.700 -0.128 0.000 0.997 555 T CA -0.832 61.252 62.100 -0.025 0.000 1.007 555 T CB 1.143 70.032 68.868 0.036 0.000 1.017 555 T HN 0.740 nan 8.240 nan 0.000 0.443 556 K N 2.596 122.907 120.400 -0.149 0.000 2.234 556 K HA 0.550 4.872 4.320 0.004 0.000 0.282 556 K C -0.039 176.536 176.600 -0.042 0.000 1.039 556 K CA -0.351 55.831 56.287 -0.175 0.000 0.928 556 K CB 0.917 33.288 32.500 -0.215 0.000 1.039 556 K HN 0.891 nan 8.250 nan 0.000 0.470 557 T N 1.161 115.694 114.554 -0.034 0.000 2.924 557 T HA 0.263 4.616 4.350 0.004 0.000 0.291 557 T C 0.097 174.801 174.700 0.006 0.000 1.045 557 T CA -0.438 61.663 62.100 0.002 0.000 1.015 557 T CB 1.133 70.008 68.868 0.011 0.000 1.103 557 T HN 0.856 nan 8.240 nan 0.000 0.496 558 N N 0.500 119.207 118.700 0.011 0.000 2.776 558 N HA -0.203 4.539 4.740 0.004 0.000 0.250 558 N C -0.629 174.873 175.510 -0.013 0.000 1.112 558 N CA 0.896 53.946 53.050 -0.001 0.000 0.733 558 N CB -1.632 36.861 38.487 0.011 0.000 1.097 558 N HN 0.963 nan 8.380 nan 0.000 0.558 559 N N 0.756 119.460 118.700 0.007 0.000 2.483 559 N HA 0.179 4.921 4.740 0.004 0.000 0.264 559 N C -0.058 175.445 175.510 -0.011 0.000 1.197 559 N CA -0.196 52.866 53.050 0.020 0.000 0.927 559 N CB 0.488 39.014 38.487 0.064 0.000 1.065 559 N HN 0.266 nan 8.380 nan 0.000 0.461 560 L N 2.954 124.143 121.223 -0.057 0.000 2.485 560 L HA 0.206 4.548 4.340 0.004 0.000 0.275 560 L C 0.734 177.591 176.870 -0.023 0.000 1.207 560 L CA -0.092 54.659 54.840 -0.148 0.000 0.855 560 L CB -0.075 41.855 42.059 -0.215 0.000 1.114 560 L HN 0.611 nan 8.230 nan 0.000 0.485 561 M N 1.517 121.091 119.600 -0.044 0.000 2.667 561 M HA 0.800 5.282 4.480 0.004 0.000 0.286 561 M C -0.635 175.663 176.300 -0.002 0.000 1.270 561 M CA -0.900 54.412 55.300 0.020 0.000 0.826 561 M CB 1.970 34.583 32.600 0.022 0.000 1.743 561 M HN 0.501 nan 8.290 nan 0.000 0.460 562 A N 1.001 123.819 122.820 -0.003 0.000 2.492 562 A HA 0.166 4.488 4.320 0.004 0.000 0.236 562 A C -0.397 177.182 177.584 -0.007 0.000 1.078 562 A CA 0.212 52.247 52.037 -0.003 0.000 0.773 562 A CB -0.106 18.863 19.000 -0.051 0.000 1.023 562 A HN 0.841 nan 8.150 nan 0.000 0.504 563 D N 0.790 121.201 120.400 0.018 0.000 2.317 563 D HA 0.340 4.982 4.640 0.004 0.000 0.252 563 D C -1.633 174.655 176.300 -0.021 0.000 1.174 563 D CA -1.761 52.250 54.000 0.018 0.000 0.866 563 D CB 1.118 41.952 40.800 0.057 0.000 1.127 563 D HN 0.106 nan 8.370 nan 0.000 0.467 564 P HA -0.071 nan 4.420 nan 0.000 0.217 564 P C 0.135 177.412 177.300 -0.037 0.000 1.150 564 P CA 0.742 63.819 63.100 -0.038 0.000 0.832 564 P CB 0.299 31.980 31.700 -0.031 0.000 0.787 565 E N 0.012 120.196 120.200 -0.027 0.000 2.528 565 E HA 0.283 4.635 4.350 0.004 0.000 0.237 565 E C 0.399 176.971 176.600 -0.048 0.000 1.408 565 E CA -0.081 56.301 56.400 -0.030 0.000 1.571 565 E CB -1.627 28.062 29.700 -0.018 0.000 1.395 565 E HN 0.082 nan 8.360 nan 0.000 0.438 566 G N 1.177 109.937 108.800 -0.066 0.000 2.381 566 G HA2 -0.236 3.726 3.960 0.004 0.000 0.206 566 G HA3 -0.236 3.726 3.960 0.004 0.000 0.206 566 G C 0.036 174.835 174.900 -0.169 0.000 0.274 566 G CA 0.858 45.891 45.100 -0.112 0.000 1.035 566 G HN 0.348 nan 8.290 nan 0.000 0.449 567 S N 0.993 116.584 115.700 -0.181 0.000 2.671 567 S HA 0.744 5.217 4.470 0.004 0.000 0.277 567 S C 0.341 174.793 174.600 -0.246 0.000 1.165 567 S CA -0.681 57.391 58.200 -0.214 0.000 0.822 567 S CB 0.775 64.016 63.200 0.068 0.000 1.150 567 S HN 0.557 nan 8.310 nan 0.000 0.479 568 F N 1.175 121.197 119.950 0.120 0.000 2.732 568 F HA 0.481 5.010 4.527 0.004 0.000 0.303 568 F C 0.069 175.760 175.800 -0.182 0.000 1.110 568 F CA -0.375 57.593 58.000 -0.055 0.000 1.355 568 F CB -0.063 38.845 39.000 -0.154 0.000 1.081 568 F HN 0.247 nan 8.300 nan 0.000 0.565 569 F N -0.973 119.085 119.950 0.180 0.000 2.483 569 F HA 0.508 5.037 4.527 0.004 0.000 0.329 569 F C 0.868 176.772 175.800 0.173 0.000 1.064 569 F CA -0.812 57.301 58.000 0.187 0.000 0.986 569 F CB 1.147 40.249 39.000 0.170 0.000 1.218 569 F HN -0.395 nan 8.300 nan 0.000 0.484 570 S N 0.290 116.250 115.700 0.434 0.000 2.730 570 S HA 0.808 5.280 4.470 0.004 0.000 0.284 570 S C -0.949 173.753 174.600 0.170 0.000 1.153 570 S CA -0.755 57.588 58.200 0.238 0.000 0.995 570 S CB 1.818 65.118 63.200 0.167 0.000 1.058 570 S HN 0.309 nan 8.310 nan 0.000 0.552 571 V N 1.362 121.231 119.914 -0.075 0.000 2.686 571 V HA 0.371 4.493 4.120 0.004 0.000 0.306 571 V C 0.141 176.049 176.094 -0.308 0.000 1.065 571 V CA -1.031 61.178 62.300 -0.151 0.000 0.894 571 V CB 1.431 33.240 31.823 -0.024 0.000 1.004 571 V HN 1.035 nan 8.190 nan 0.000 0.424 572 E N 2.719 122.678 120.200 -0.400 0.000 3.136 572 E HA 0.499 4.851 4.350 0.004 0.000 0.271 572 E C 0.970 177.505 176.600 -0.109 0.000 1.454 572 E CA -0.007 56.219 56.400 -0.289 0.000 1.194 572 E CB 0.179 29.747 29.700 -0.220 0.000 1.175 572 E HN 1.525 nan 8.360 nan 0.000 0.726 573 G N -0.912 107.854 108.800 -0.057 0.000 2.149 573 G HA2 -0.173 3.790 3.960 0.004 0.000 0.235 573 G HA3 -0.173 3.790 3.960 0.004 0.000 0.235 573 G C 0.261 175.161 174.900 0.001 0.000 1.018 573 G CA 0.014 45.105 45.100 -0.015 0.000 0.728 573 G HN 0.800 nan 8.290 nan 0.000 0.508 574 G N -1.082 107.721 108.800 0.004 0.000 2.552 574 G HA2 0.765 4.727 3.960 0.004 0.000 0.318 574 G HA3 0.765 4.727 3.960 0.004 0.000 0.318 574 G C -0.445 174.487 174.900 0.053 0.000 1.240 574 G CA 0.203 45.329 45.100 0.043 0.000 1.002 574 G HN 0.859 nan 8.290 nan 0.000 0.493 575 E N -1.055 119.193 120.200 0.081 0.000 2.354 575 E HA 0.420 4.773 4.350 0.004 0.000 0.283 575 E C -1.508 175.128 176.600 0.060 0.000 0.938 575 E CA -0.695 55.743 56.400 0.064 0.000 0.777 575 E CB 1.727 31.460 29.700 0.056 0.000 1.222 575 E HN 0.266 nan 8.360 nan 0.000 0.423 576 I N 2.904 123.501 120.570 0.046 0.000 2.740 576 I HA 0.537 4.709 4.170 0.004 0.000 0.303 576 I C -0.315 175.870 176.117 0.115 0.000 1.044 576 I CA -0.824 60.472 61.300 -0.006 0.000 1.064 576 I CB 1.904 39.893 38.000 -0.019 0.000 1.249 576 I HN 0.621 nan 8.210 nan 0.000 0.433 577 R N 3.062 123.601 120.500 0.064 0.000 2.561 577 R HA 0.780 5.122 4.340 0.004 0.000 0.297 577 R C -1.458 174.906 176.300 0.108 0.000 0.969 577 R CA -0.514 55.654 56.100 0.113 0.000 0.879 577 R CB 2.143 32.481 30.300 0.065 0.000 1.178 577 R HN 0.799 nan 8.270 nan 0.000 0.445 578 A N 4.918 127.876 122.820 0.230 0.000 2.319 578 A HA 0.591 4.913 4.320 0.004 0.000 0.310 578 A C -0.949 176.795 177.584 0.266 0.000 1.152 578 A CA -0.884 51.300 52.037 0.245 0.000 0.783 578 A CB 0.766 20.048 19.000 0.472 0.000 1.184 578 A HN 0.899 nan 8.150 nan 0.000 0.474 579 R N 1.845 122.389 120.500 0.073 0.000 2.673 579 R HA 0.900 5.242 4.340 0.004 0.000 0.281 579 R C 0.019 176.051 176.300 -0.446 0.000 0.991 579 R CA -0.213 55.799 56.100 -0.147 0.000 0.896 579 R CB 1.806 32.067 30.300 -0.064 0.000 1.201 579 R HN 1.657 nan 8.270 nan 0.000 0.457 580 G N 0.401 108.695 108.800 -0.843 0.000 2.333 580 G HA2 0.379 4.342 3.960 0.004 0.000 0.288 580 G HA3 0.379 4.342 3.960 0.004 0.000 0.288 580 G C -1.465 173.089 174.900 -0.577 0.000 1.286 580 G CA -0.281 44.486 45.100 -0.556 0.000 0.865 580 G HN 1.120 nan 8.290 nan 0.000 0.506 581 V N -2.612 117.233 119.914 -0.114 0.000 3.130 581 V HA 1.023 5.145 4.120 0.004 0.000 0.310 581 V C -0.936 175.182 176.094 0.039 0.000 1.158 581 V CA -0.510 61.785 62.300 -0.009 0.000 1.029 581 V CB 1.708 33.557 31.823 0.042 0.000 1.057 581 V HN 1.437 nan 8.190 nan 0.000 0.436 582 E N 3.186 123.434 120.200 0.081 0.000 2.354 582 E HA 0.698 5.050 4.350 0.004 0.000 0.283 582 E C -1.393 175.258 176.600 0.085 0.000 0.938 582 E CA -0.951 55.474 56.400 0.041 0.000 0.777 582 E CB 2.661 32.409 29.700 0.080 0.000 1.222 582 E HN 0.974 nan 8.360 nan 0.000 0.423 583 I N -0.789 119.837 120.570 0.094 0.000 2.499 583 I HA 0.576 4.748 4.170 0.004 0.000 0.288 583 I C -0.745 175.441 176.117 0.114 0.000 1.048 583 I CA -0.908 60.462 61.300 0.117 0.000 1.062 583 I CB 1.844 39.928 38.000 0.140 0.000 1.238 583 I HN 0.716 nan 8.210 nan 0.000 0.426 584 E N 5.250 125.507 120.200 0.096 0.000 2.320 584 E HA 0.928 5.280 4.350 0.004 0.000 0.264 584 E C -1.332 175.320 176.600 0.087 0.000 0.923 584 E CA -1.309 55.146 56.400 0.092 0.000 0.796 584 E CB 2.736 32.477 29.700 0.069 0.000 1.262 584 E HN 0.871 nan 8.360 nan 0.000 0.428 585 A N 1.770 124.643 122.820 0.088 0.000 2.491 585 A HA 0.521 4.843 4.320 0.004 0.000 0.293 585 A C -1.379 176.249 177.584 0.073 0.000 1.047 585 A CA -0.926 51.157 52.037 0.077 0.000 0.735 585 A CB 1.300 20.353 19.000 0.089 0.000 1.281 585 A HN 0.502 nan 8.150 nan 0.000 0.398 586 K N 0.729 121.156 120.400 0.046 0.000 2.427 586 K HA 0.855 5.177 4.320 0.004 0.000 0.252 586 K C -0.762 175.851 176.600 0.021 0.000 0.931 586 K CA -0.497 55.814 56.287 0.041 0.000 0.793 586 K CB 2.656 35.167 32.500 0.019 0.000 1.211 586 K HN 1.349 nan 8.250 nan 0.000 0.426 587 A N 0.869 123.708 122.820 0.032 0.000 2.599 587 A HA 0.637 4.959 4.320 0.004 0.000 0.294 587 A C -1.658 175.941 177.584 0.024 0.000 1.055 587 A CA -0.724 51.321 52.037 0.014 0.000 0.683 587 A CB 1.446 20.453 19.000 0.011 0.000 1.278 587 A HN 0.666 nan 8.150 nan 0.000 0.412 588 A N 1.689 124.513 122.820 0.007 0.000 3.094 588 A HA 0.518 4.840 4.320 0.004 0.000 0.288 588 A C 0.887 178.473 177.584 0.003 0.000 1.519 588 A CA -0.291 51.751 52.037 0.009 0.000 1.227 588 A CB -0.853 18.145 19.000 -0.004 0.000 1.175 588 A HN 1.003 nan 8.150 nan 0.000 0.568 589 L N 1.147 122.379 121.223 0.015 0.000 1.978 589 L HA -0.217 4.126 4.340 0.004 0.000 0.218 589 L C 2.409 179.279 176.870 0.001 0.000 1.075 589 L CA 2.810 57.657 54.840 0.012 0.000 0.767 589 L CB -0.998 41.072 42.059 0.019 0.000 0.890 589 L HN 0.766 nan 8.230 nan 0.000 0.434 590 S N -2.545 113.154 115.700 -0.002 0.000 4.311 590 S HA 0.641 5.113 4.470 0.004 0.000 0.200 590 S C 0.803 175.367 174.600 -0.060 0.000 1.007 590 S CA 0.102 58.287 58.200 -0.026 0.000 1.754 590 S CB 0.656 63.850 63.200 -0.011 0.000 0.728 590 S HN 0.153 nan 8.310 nan 0.000 0.760 591 A N -0.389 122.362 122.820 -0.115 0.000 2.701 591 A HA 0.648 4.970 4.320 0.004 0.000 0.241 591 A C 0.950 178.399 177.584 -0.226 0.000 1.231 591 A CA 0.171 52.091 52.037 -0.194 0.000 1.003 591 A CB 0.130 18.937 19.000 -0.322 0.000 1.281 591 A HN 0.496 nan 8.150 nan 0.000 0.600 592 S N -0.971 114.653 115.700 -0.128 0.000 2.728 592 S HA 0.310 4.782 4.470 0.004 0.000 0.257 592 S C -0.134 174.460 174.600 -0.009 0.000 1.060 592 S CA 0.105 58.234 58.200 -0.118 0.000 1.126 592 S CB 1.024 64.060 63.200 -0.273 0.000 1.099 592 S HN 0.138 nan 8.310 nan 0.000 0.617 593 V N 3.456 123.409 119.914 0.064 0.000 2.540 593 V HA 0.552 4.674 4.120 0.004 0.000 0.302 593 V C -1.089 175.039 176.094 0.057 0.000 1.035 593 V CA -0.715 61.643 62.300 0.097 0.000 0.873 593 V CB 1.894 33.775 31.823 0.096 0.000 0.992 593 V HN 0.284 nan 8.190 nan 0.000 0.428 594 N N 2.980 121.719 118.700 0.064 0.000 2.249 594 N HA 0.706 5.448 4.740 0.004 0.000 0.296 594 N C -1.507 174.072 175.510 0.115 0.000 1.051 594 N CA -0.299 52.810 53.050 0.098 0.000 0.815 594 N CB 2.749 41.327 38.487 0.151 0.000 1.487 594 N HN 0.347 nan 8.380 nan 0.000 0.475 595 V N 1.536 121.524 119.914 0.123 0.000 2.686 595 V HA 0.539 4.661 4.120 0.004 0.000 0.306 595 V C -0.462 175.733 176.094 0.169 0.000 1.065 595 V CA -0.718 61.665 62.300 0.139 0.000 0.894 595 V CB 2.341 34.211 31.823 0.079 0.000 1.004 595 V HN 0.336 nan 8.190 nan 0.000 0.424 596 V N 2.700 122.757 119.914 0.238 0.000 2.709 596 V HA 1.027 5.149 4.120 0.004 0.000 0.308 596 V C 0.307 176.550 176.094 0.248 0.000 1.062 596 V CA 0.100 62.520 62.300 0.200 0.000 0.901 596 V CB 1.886 33.795 31.823 0.143 0.000 1.003 596 V HN 1.156 nan 8.190 nan 0.000 0.425 597 G N 2.269 111.192 108.800 0.206 0.000 2.576 597 G HA2 0.810 4.772 3.960 0.004 0.000 0.290 597 G HA3 0.810 4.772 3.960 0.004 0.000 0.290 597 G C -1.043 173.964 174.900 0.177 0.000 1.442 597 G CA 0.157 45.390 45.100 0.222 0.000 0.792 597 G HN 1.346 nan 8.290 nan 0.000 0.491 598 S N -1.337 114.471 115.700 0.180 0.000 2.643 598 S HA 0.742 5.215 4.470 0.004 0.000 0.266 598 S C -2.018 172.718 174.600 0.226 0.000 1.130 598 S CA -0.831 57.470 58.200 0.168 0.000 0.817 598 S CB 1.840 65.119 63.200 0.131 0.000 1.107 598 S HN 2.137 nan 8.310 nan 0.000 0.471 599 Y N 0.356 120.694 120.300 0.062 0.000 2.504 599 Y HA 0.720 5.272 4.550 0.004 0.000 0.344 599 Y C -1.387 174.559 175.900 0.076 0.000 1.023 599 Y CA -0.410 57.723 58.100 0.055 0.000 1.020 599 Y CB 2.181 40.656 38.460 0.025 0.000 1.282 599 Y HN 0.991 nan 8.280 nan 0.000 0.454 600 T N 5.828 119.938 114.554 -0.740 0.000 2.881 600 T HA 0.352 4.704 4.350 0.004 0.000 0.290 600 T C -2.240 172.034 174.700 -0.711 0.000 1.000 600 T CA -0.469 61.291 62.100 -0.567 0.000 0.978 600 T CB 1.104 69.858 68.868 -0.190 0.000 0.997 600 T HN 0.456 nan 8.240 nan 0.000 0.443 601 Y N 2.434 122.409 120.300 -0.541 0.000 2.363 601 Y HA 0.523 5.075 4.550 0.004 0.000 0.325 601 Y C -0.797 175.052 175.900 -0.084 0.000 0.984 601 Y CA -0.745 57.208 58.100 -0.245 0.000 1.248 601 Y CB 1.061 39.413 38.460 -0.181 0.000 1.116 601 Y HN 0.610 nan 8.280 nan 0.000 0.470 602 T N 5.818 120.058 114.554 -0.523 0.000 2.809 602 T HA 0.200 4.553 4.350 0.004 0.000 0.284 602 T C -1.388 172.979 174.700 -0.554 0.000 0.992 602 T CA -0.692 61.153 62.100 -0.426 0.000 0.957 602 T CB 0.996 69.762 68.868 -0.171 0.000 0.942 602 T HN 0.555 nan 8.240 nan 0.000 0.439 603 D N 2.741 122.837 120.400 -0.507 0.000 2.441 603 D HA 0.527 5.169 4.640 0.004 0.000 0.231 603 D C -0.853 175.340 176.300 -0.180 0.000 1.073 603 D CA -0.396 53.404 54.000 -0.333 0.000 0.850 603 D CB 1.103 41.742 40.800 -0.268 0.000 1.062 603 D HN 0.651 nan 8.370 nan 0.000 0.524 604 A N 3.716 126.435 122.820 -0.168 0.000 2.342 604 A HA 0.697 5.019 4.320 0.004 0.000 0.323 604 A C -0.476 177.016 177.584 -0.152 0.000 1.125 604 A CA -0.633 51.295 52.037 -0.182 0.000 0.785 604 A CB 1.501 20.335 19.000 -0.278 0.000 1.221 604 A HN 0.602 nan 8.150 nan 0.000 0.463 605 E N 1.175 121.287 120.200 -0.147 0.000 2.378 605 E HA 0.382 4.734 4.350 0.004 0.000 0.283 605 E C -1.980 174.577 176.600 -0.071 0.000 0.979 605 E CA -0.539 55.815 56.400 -0.076 0.000 0.795 605 E CB 1.106 30.795 29.700 -0.018 0.000 1.221 605 E HN 0.608 nan 8.360 nan 0.000 0.428 606 Y N 2.253 122.529 120.300 -0.041 0.000 2.436 606 Y HA 0.112 4.664 4.550 0.004 0.000 0.336 606 Y C 1.382 177.287 175.900 0.009 0.000 1.049 606 Y CA 0.502 58.602 58.100 -0.001 0.000 1.294 606 Y CB 1.494 39.967 38.460 0.022 0.000 1.179 606 Y HN 0.566 nan 8.280 nan 0.000 0.520 607 T N 0.752 115.390 114.554 0.140 0.000 2.925 607 T HA -0.004 4.348 4.350 0.004 0.000 0.245 607 T C 0.424 175.181 174.700 0.095 0.000 1.025 607 T CA 0.921 63.078 62.100 0.095 0.000 1.149 607 T CB 0.156 69.065 68.868 0.067 0.000 0.866 607 T HN 0.470 nan 8.240 nan 0.000 0.437 608 T N 2.918 117.537 114.554 0.108 0.000 3.250 608 T HA 0.339 4.691 4.350 0.004 0.000 0.391 608 T C -1.298 173.465 174.700 0.106 0.000 1.502 608 T CA -0.613 61.536 62.100 0.083 0.000 1.320 608 T CB 0.595 69.498 68.868 0.059 0.000 1.102 608 T HN 0.135 nan 8.240 nan 0.000 0.610 609 D N 0.851 121.310 120.400 0.099 0.000 2.457 609 D HA 0.276 4.918 4.640 0.004 0.000 0.240 609 D C 0.846 177.121 176.300 -0.041 0.000 1.041 609 D CA -0.462 53.580 54.000 0.070 0.000 0.861 609 D CB 2.582 43.446 40.800 0.107 0.000 1.394 609 D HN 0.080 nan 8.370 nan 0.000 0.473 610 T N 0.874 115.382 114.554 -0.077 0.000 2.962 610 T HA -0.076 4.276 4.350 0.004 0.000 0.270 610 T C 1.369 175.935 174.700 -0.224 0.000 1.088 610 T CA 1.852 63.880 62.100 -0.121 0.000 1.127 610 T CB 0.123 68.932 68.868 -0.098 0.000 0.883 610 T HN 0.581 nan 8.240 nan 0.000 0.493 611 T N -1.268 113.048 114.554 -0.397 0.000 3.092 611 T HA 0.153 4.505 4.350 0.004 0.000 0.273 611 T C 0.085 174.324 174.700 -0.769 0.000 0.898 611 T CA -0.400 61.331 62.100 -0.615 0.000 0.868 611 T CB 0.086 68.467 68.868 -0.812 0.000 1.228 611 T HN 0.280 nan 8.240 nan 0.000 0.555 612 Y N 1.657 121.765 120.300 -0.319 0.000 2.682 612 Y HA 0.523 5.075 4.550 0.004 0.000 0.251 612 Y C 0.698 176.387 175.900 -0.351 0.000 1.172 612 Y CA -1.415 56.405 58.100 -0.467 0.000 1.186 612 Y CB 0.141 38.022 38.460 -0.966 0.000 1.216 612 Y HN 0.117 nan 8.280 nan 0.000 0.540 613 K N 0.718 121.068 120.400 -0.084 0.000 2.559 613 K HA 0.133 4.455 4.320 0.004 0.000 0.279 613 K C 1.388 178.001 176.600 0.022 0.000 0.967 613 K CA 1.445 57.743 56.287 0.019 0.000 1.000 613 K CB 0.026 32.527 32.500 0.002 0.000 0.890 613 K HN 0.620 nan 8.250 nan 0.000 0.501 614 G N 2.172 111.008 108.800 0.060 0.000 2.196 614 G HA2 -0.326 3.636 3.960 0.004 0.000 0.268 614 G HA3 -0.326 3.636 3.960 0.004 0.000 0.268 614 G C -0.217 174.682 174.900 -0.003 0.000 0.975 614 G CA 0.727 45.843 45.100 0.027 0.000 0.648 614 G HN 0.801 nan 8.290 nan 0.000 0.538 615 N N 0.180 118.894 118.700 0.024 0.000 2.430 615 N HA 0.586 5.328 4.740 0.004 0.000 0.298 615 N C 0.075 175.608 175.510 0.038 0.000 1.130 615 N CA -0.015 52.991 53.050 -0.074 0.000 0.894 615 N CB 1.107 39.506 38.487 -0.145 0.000 1.209 615 N HN 0.283 nan 8.380 nan 0.000 0.503 616 T N -1.003 113.440 114.554 -0.185 0.000 2.837 616 T HA 0.381 4.733 4.350 0.004 0.000 0.285 616 T C -2.703 171.929 174.700 -0.114 0.000 0.984 616 T CA -1.993 60.026 62.100 -0.135 0.000 1.049 616 T CB 1.413 70.210 68.868 -0.119 0.000 0.947 616 T HN 0.157 nan 8.240 nan 0.000 0.472 617 P HA 0.285 nan 4.420 nan 0.000 0.265 617 P C -0.191 177.039 177.300 -0.117 0.000 1.193 617 P CA -0.138 62.887 63.100 -0.126 0.000 0.765 617 P CB 0.191 31.698 31.700 -0.323 0.000 0.823 618 A N 3.631 126.388 122.820 -0.106 0.000 2.483 618 A HA 0.046 4.368 4.320 0.004 0.000 0.238 618 A C 0.936 178.473 177.584 -0.078 0.000 1.070 618 A CA 0.400 52.378 52.037 -0.099 0.000 0.770 618 A CB -0.447 18.474 19.000 -0.131 0.000 1.008 618 A HN 0.751 nan 8.150 nan 0.000 0.497 619 Q N -1.756 118.000 119.800 -0.073 0.000 2.325 619 Q HA -0.196 4.146 4.340 0.004 0.000 0.153 619 Q C 0.354 176.319 176.000 -0.059 0.000 0.593 619 Q CA 1.306 57.083 55.803 -0.044 0.000 1.337 619 Q CB -2.106 26.635 28.738 0.005 0.000 1.265 619 Q HN 1.502 nan 8.270 nan 0.000 0.987 620 V N 2.100 121.960 119.914 -0.090 0.000 2.408 620 V HA 0.478 4.600 4.120 0.004 0.000 0.267 620 V C -2.030 173.997 176.094 -0.113 0.000 1.047 620 V CA -1.408 60.825 62.300 -0.113 0.000 0.937 620 V CB 1.137 32.858 31.823 -0.170 0.000 0.999 620 V HN 0.026 nan 8.190 nan 0.000 0.472 621 P HA 0.362 nan 4.420 nan 0.000 0.279 621 P C -0.188 177.029 177.300 -0.139 0.000 1.252 621 P CA -0.486 62.526 63.100 -0.147 0.000 0.811 621 P CB 1.625 33.220 31.700 -0.175 0.000 1.035 622 K N -0.023 120.283 120.400 -0.157 0.000 2.098 622 K HA 0.029 4.351 4.320 0.004 0.000 0.203 622 K C 0.564 177.204 176.600 0.067 0.000 1.051 622 K CA 0.878 57.068 56.287 -0.161 0.000 0.957 622 K CB -0.067 32.270 32.500 -0.272 0.000 0.738 622 K HN 0.617 nan 8.250 nan 0.000 0.447 623 H N -0.631 118.460 119.070 0.035 0.000 2.538 623 H HA 0.440 4.999 4.556 0.004 0.000 0.353 623 H C -0.834 174.527 175.328 0.055 0.000 1.109 623 H CA -0.822 55.322 56.048 0.160 0.000 1.192 623 H CB 1.773 31.744 29.762 0.349 0.000 1.555 623 H HN -0.123 nan 8.280 nan 0.000 0.518 624 M N 2.115 121.848 119.600 0.221 0.000 2.378 624 M HA 0.597 5.080 4.480 0.004 0.000 0.289 624 M C -1.379 175.076 176.300 0.260 0.000 1.136 624 M CA -0.549 54.819 55.300 0.114 0.000 0.917 624 M CB 2.734 35.322 32.600 -0.020 0.000 1.669 624 M HN 0.695 nan 8.290 nan 0.000 0.461 625 A N 1.714 124.699 122.820 0.274 0.000 2.539 625 A HA 0.982 5.304 4.320 0.004 0.000 0.296 625 A C -1.126 176.545 177.584 0.144 0.000 1.073 625 A CA -0.627 51.574 52.037 0.274 0.000 0.700 625 A CB 1.820 20.991 19.000 0.286 0.000 1.296 625 A HN 0.821 nan 8.150 nan 0.000 0.405 626 S N 0.404 116.182 115.700 0.130 0.000 2.533 626 S HA 0.777 5.250 4.470 0.004 0.000 0.271 626 S C -1.297 173.440 174.600 0.229 0.000 1.143 626 S CA -0.580 57.673 58.200 0.089 0.000 0.891 626 S CB 1.215 64.397 63.200 -0.030 0.000 1.105 626 S HN 1.574 nan 8.310 nan 0.000 0.468 627 L N 2.425 123.841 121.223 0.321 0.000 2.526 627 L HA 0.806 5.148 4.340 0.004 0.000 0.263 627 L C -2.338 174.851 176.870 0.532 0.000 0.943 627 L CA -0.279 54.773 54.840 0.353 0.000 0.859 627 L CB 1.880 44.056 42.059 0.195 0.000 1.313 627 L HN 1.016 nan 8.230 nan 0.000 0.406 628 W N 5.029 126.469 121.300 0.234 0.000 3.372 628 W HA 0.761 5.423 4.660 0.004 0.000 0.315 628 W C -1.712 174.847 176.519 0.067 0.000 1.223 628 W CA -0.177 57.265 57.345 0.162 0.000 1.202 628 W CB 1.954 31.450 29.460 0.060 0.000 1.367 628 W HN 0.711 nan 8.180 nan 0.000 0.531 629 A N 4.039 126.476 122.820 -0.638 0.000 2.574 629 A HA 0.664 4.986 4.320 0.004 0.000 0.297 629 A C -1.786 175.149 177.584 -1.082 0.000 1.062 629 A CA -0.641 51.044 52.037 -0.586 0.000 0.686 629 A CB 1.552 20.408 19.000 -0.240 0.000 1.285 629 A HN 0.568 nan 8.150 nan 0.000 0.403 630 D N -0.371 119.634 120.400 -0.660 0.000 2.601 630 D HA 0.588 5.230 4.640 0.004 0.000 0.230 630 D C -1.335 174.907 176.300 -0.098 0.000 1.106 630 D CA -0.414 53.334 54.000 -0.420 0.000 0.873 630 D CB 1.364 42.044 40.800 -0.199 0.000 1.515 630 D HN 0.406 nan 8.370 nan 0.000 0.468 631 Y N 0.021 120.179 120.300 -0.236 0.000 2.391 631 Y HA 0.517 5.069 4.550 0.004 0.000 0.341 631 Y C -1.002 174.739 175.900 -0.266 0.000 0.965 631 Y CA -0.509 57.439 58.100 -0.253 0.000 1.067 631 Y CB 2.178 40.428 38.460 -0.350 0.000 1.199 631 Y HN 0.421 nan 8.280 nan 0.000 0.450 632 T N 6.423 120.525 114.554 -0.754 0.000 2.859 632 T HA 0.481 4.833 4.350 0.004 0.000 0.281 632 T C -1.149 173.115 174.700 -0.727 0.000 1.005 632 T CA -0.337 61.456 62.100 -0.510 0.000 1.025 632 T CB 0.569 69.402 68.868 -0.058 0.000 0.977 632 T HN 0.326 nan 8.240 nan 0.000 0.458 633 F N 1.707 121.464 119.950 -0.322 0.000 2.415 633 F HA 0.492 5.021 4.527 0.004 0.000 0.348 633 F C 0.331 176.042 175.800 -0.149 0.000 1.119 633 F CA -1.187 56.704 58.000 -0.182 0.000 1.069 633 F CB 0.930 39.840 39.000 -0.150 0.000 1.124 633 F HN 0.578 nan 8.300 nan 0.000 0.472 634 F N -0.193 119.799 119.950 0.070 0.000 2.680 634 F HA 0.190 4.719 4.527 0.003 0.000 0.290 634 F C 0.583 176.421 175.800 0.063 0.000 1.114 634 F CA 0.005 58.031 58.000 0.044 0.000 1.333 634 F CB 0.163 39.166 39.000 0.005 0.000 1.091 634 F HN 0.266 nan 8.300 nan 0.000 0.606 635 D N -1.214 119.335 120.400 0.248 0.000 2.467 635 D HA 0.544 5.186 4.640 0.004 0.000 0.245 635 D C 0.452 176.804 176.300 0.087 0.000 1.038 635 D CA 0.609 54.699 54.000 0.150 0.000 1.038 635 D CB 1.104 41.989 40.800 0.142 0.000 1.278 635 D HN 0.199 nan 8.370 nan 0.000 0.564 636 G N 0.610 109.438 108.800 0.046 0.000 2.894 636 G HA2 -0.179 3.783 3.960 0.004 0.000 0.247 636 G HA3 -0.179 3.783 3.960 0.004 0.000 0.247 636 G C -1.490 173.387 174.900 -0.040 0.000 1.442 636 G CA -0.239 44.858 45.100 -0.005 0.000 0.897 636 G HN 0.432 nan 8.290 nan 0.000 0.550 637 P HA -0.155 nan 4.420 nan 0.000 0.215 637 P C 1.999 179.226 177.300 -0.122 0.000 1.163 637 P CA 2.123 65.178 63.100 -0.075 0.000 0.894 637 P CB -0.116 31.530 31.700 -0.090 0.000 0.791 638 L N -0.252 120.807 121.223 -0.274 0.000 2.633 638 L HA 0.004 4.346 4.340 0.004 0.000 0.235 638 L C 1.440 178.167 176.870 -0.239 0.000 1.163 638 L CA 0.109 54.709 54.840 -0.399 0.000 0.859 638 L CB -1.130 40.420 42.059 -0.848 0.000 0.973 638 L HN 0.002 nan 8.230 nan 0.000 0.451 639 S N 0.752 116.396 115.700 -0.094 0.000 2.811 639 S HA 0.180 4.652 4.470 0.004 0.000 0.325 639 S C 1.255 175.835 174.600 -0.033 0.000 1.224 639 S CA 0.895 59.078 58.200 -0.027 0.000 1.125 639 S CB -0.016 63.195 63.200 0.018 0.000 0.867 639 S HN 0.716 nan 8.310 nan 0.000 0.512 640 G N 3.426 112.140 108.800 -0.143 0.000 2.391 640 G HA2 -0.212 3.751 3.960 0.004 0.000 0.204 640 G HA3 -0.212 3.751 3.960 0.004 0.000 0.204 640 G C -0.024 174.794 174.900 -0.137 0.000 1.012 640 G CA -0.116 44.932 45.100 -0.087 0.000 0.651 640 G HN 1.012 nan 8.290 nan 0.000 0.494 641 L N 2.752 123.798 121.223 -0.294 0.000 2.483 641 L HA 0.673 5.015 4.340 0.004 0.000 0.276 641 L C 0.007 176.841 176.870 -0.061 0.000 1.213 641 L CA 0.962 55.647 54.840 -0.259 0.000 0.843 641 L CB 0.995 42.898 42.059 -0.261 0.000 1.107 641 L HN 0.211 nan 8.230 nan 0.000 0.487 642 T N 6.073 120.595 114.554 -0.053 0.000 2.921 642 T HA 0.568 4.921 4.350 0.004 0.000 0.297 642 T C -0.773 173.916 174.700 -0.017 0.000 1.013 642 T CA -0.406 61.661 62.100 -0.056 0.000 0.990 642 T CB 1.025 69.872 68.868 -0.036 0.000 1.023 642 T HN 0.484 nan 8.240 nan 0.000 0.447 643 L N 2.602 123.808 121.223 -0.027 0.000 2.349 643 L HA 0.769 5.111 4.340 0.004 0.000 0.278 643 L C 0.471 177.291 176.870 -0.082 0.000 0.996 643 L CA -0.766 54.066 54.840 -0.012 0.000 0.825 643 L CB 1.807 43.886 42.059 0.032 0.000 1.243 643 L HN 0.787 nan 8.230 nan 0.000 0.412 644 G N 0.484 109.244 108.800 -0.066 0.000 2.481 644 G HA2 0.679 4.641 3.960 0.004 0.000 0.315 644 G HA3 0.679 4.641 3.960 0.004 0.000 0.315 644 G C -1.226 173.557 174.900 -0.195 0.000 1.231 644 G CA -0.388 44.550 45.100 -0.270 0.000 0.968 644 G HN 0.388 nan 8.290 nan 0.000 0.482 645 T N -1.204 113.023 114.554 -0.544 0.000 2.885 645 T HA 0.773 5.125 4.350 0.004 0.000 0.322 645 T C -0.267 174.242 174.700 -0.318 0.000 1.387 645 T CA 0.433 62.418 62.100 -0.192 0.000 1.041 645 T CB 1.514 70.331 68.868 -0.084 0.000 1.287 645 T HN 1.764 nan 8.240 nan 0.000 0.491 646 G N 0.283 109.241 108.800 0.263 0.000 2.550 646 G HA2 0.708 4.670 3.960 0.004 0.000 0.293 646 G HA3 0.708 4.670 3.960 0.004 0.000 0.293 646 G C -0.735 174.442 174.900 0.461 0.000 1.402 646 G CA -0.125 45.280 45.100 0.508 0.000 0.784 646 G HN 1.109 nan 8.290 nan 0.000 0.482 647 G N -0.791 108.252 108.800 0.405 0.000 2.696 647 G HA2 0.684 4.646 3.960 0.004 0.000 0.295 647 G HA3 0.684 4.646 3.960 0.004 0.000 0.295 647 G C -1.369 173.576 174.900 0.076 0.000 1.398 647 G CA -0.816 44.420 45.100 0.226 0.000 0.920 647 G HN 0.562 nan 8.290 nan 0.000 0.492 648 R N 0.475 120.976 120.500 0.002 0.000 2.483 648 R HA 0.303 4.645 4.340 0.004 0.000 0.303 648 R C -1.815 174.505 176.300 0.033 0.000 0.987 648 R CA -0.816 55.224 56.100 -0.100 0.000 0.881 648 R CB 2.537 32.672 30.300 -0.276 0.000 1.177 648 R HN 0.567 nan 8.270 nan 0.000 0.451 649 Y N 1.878 122.128 120.300 -0.083 0.000 2.330 649 Y HA 0.378 4.930 4.550 0.004 0.000 0.336 649 Y C -0.753 175.040 175.900 -0.178 0.000 1.036 649 Y CA -0.205 57.833 58.100 -0.103 0.000 1.125 649 Y CB 1.825 40.255 38.460 -0.049 0.000 1.194 649 Y HN 0.460 nan 8.280 nan 0.000 0.469 650 T N 5.517 119.387 114.554 -1.140 0.000 2.841 650 T HA 0.522 4.875 4.350 0.004 0.000 0.285 650 T C 0.252 174.178 174.700 -1.290 0.000 0.991 650 T CA -0.465 60.977 62.100 -1.096 0.000 0.966 650 T CB 1.210 69.311 68.868 -1.279 0.000 0.962 650 T HN 0.972 nan 8.240 nan 0.000 0.438 651 G N 1.905 110.235 108.800 -0.784 0.000 2.651 651 G HA2 0.452 4.415 3.960 0.004 0.000 0.260 651 G HA3 0.452 4.415 3.960 0.004 0.000 0.260 651 G C 0.385 175.047 174.900 -0.396 0.000 1.216 651 G CA -0.627 44.175 45.100 -0.497 0.000 0.913 651 G HN 0.855 nan 8.290 nan 0.000 0.535 652 S N -1.483 114.053 115.700 -0.272 0.000 2.593 652 S HA 0.559 5.031 4.470 0.004 0.000 0.269 652 S C 0.186 174.616 174.600 -0.284 0.000 1.334 652 S CA 0.187 58.236 58.200 -0.252 0.000 1.015 652 S CB 1.490 64.552 63.200 -0.229 0.000 0.912 652 S HN 1.048 nan 8.310 nan 0.000 0.541 653 S N 0.167 115.685 115.700 -0.303 0.000 2.607 653 S HA 0.580 5.052 4.470 0.004 0.000 0.273 653 S C -1.864 172.486 174.600 -0.416 0.000 1.148 653 S CA -0.833 57.191 58.200 -0.295 0.000 0.833 653 S CB 0.576 63.668 63.200 -0.179 0.000 1.130 653 S HN 0.641 nan 8.310 nan 0.000 0.470 654 Y N 0.864 120.986 120.300 -0.296 0.000 2.304 654 Y HA 0.450 5.002 4.550 0.004 0.000 0.328 654 Y C 1.564 177.113 175.900 -0.585 0.000 1.123 654 Y CA 0.188 58.034 58.100 -0.425 0.000 1.218 654 Y CB 1.098 39.371 38.460 -0.310 0.000 1.207 654 Y HN 0.842 nan 8.280 nan 0.000 0.495 655 G N 1.593 109.803 108.800 -0.983 0.000 3.314 655 G HA2 0.243 4.205 3.960 0.004 0.000 0.238 655 G HA3 0.243 4.205 3.960 0.004 0.000 0.238 655 G C -0.914 173.674 174.900 -0.520 0.000 1.184 655 G CA 0.153 44.605 45.100 -1.080 0.000 0.806 655 G HN 0.727 nan 8.290 nan 0.000 0.536 656 D N -3.425 116.768 120.400 -0.345 0.000 2.912 656 D HA 0.082 4.724 4.640 0.004 0.000 0.263 656 D C -2.757 173.401 176.300 -0.237 0.000 1.152 656 D CA -1.281 52.588 54.000 -0.218 0.000 0.728 656 D CB 0.601 41.359 40.800 -0.071 0.000 1.337 656 D HN -0.145 nan 8.370 nan 0.000 0.435 657 P HA -0.058 nan 4.420 nan 0.000 0.216 657 P C 1.234 178.258 177.300 -0.459 0.000 1.150 657 P CA 2.632 65.361 63.100 -0.620 0.000 0.843 657 P CB 0.058 31.064 31.700 -1.158 0.000 0.787 658 A N -0.996 121.728 122.820 -0.161 0.000 2.248 658 A HA -0.102 4.220 4.320 0.004 0.000 0.210 658 A C 0.657 178.212 177.584 -0.047 0.000 1.174 658 A CA 0.513 52.572 52.037 0.038 0.000 0.750 658 A CB -1.375 17.683 19.000 0.097 0.000 0.780 658 A HN 0.117 nan 8.150 nan 0.000 0.478 659 N N -0.623 117.987 118.700 -0.150 0.000 2.716 659 N HA -0.174 4.568 4.740 0.004 0.000 0.250 659 N C 0.910 176.465 175.510 0.076 0.000 1.033 659 N CA 0.992 53.937 53.050 -0.174 0.000 0.727 659 N CB -1.454 36.654 38.487 -0.632 0.000 0.950 659 N HN 0.583 nan 8.380 nan 0.000 0.541 660 S N -0.701 115.063 115.700 0.107 0.000 2.355 660 S HA 0.020 4.492 4.470 0.004 0.000 0.210 660 S C 0.706 175.453 174.600 0.245 0.000 1.035 660 S CA 1.023 59.338 58.200 0.192 0.000 1.011 660 S CB 0.057 63.415 63.200 0.263 0.000 1.000 660 S HN 0.379 nan 8.310 nan 0.000 0.423 661 F N 0.755 120.709 119.950 0.006 0.000 2.461 661 F HA 0.811 5.340 4.527 0.004 0.000 0.332 661 F C -0.300 175.465 175.800 -0.058 0.000 1.073 661 F CA -1.484 56.496 58.000 -0.033 0.000 1.017 661 F CB 0.594 39.549 39.000 -0.075 0.000 1.301 661 F HN -0.040 nan 8.300 nan 0.000 0.492 662 K N 1.317 121.595 120.400 -0.204 0.000 2.443 662 K HA 0.527 4.850 4.320 0.004 0.000 0.252 662 K C -1.558 174.895 176.600 -0.245 0.000 0.933 662 K CA -1.127 54.912 56.287 -0.413 0.000 0.792 662 K CB 2.901 35.137 32.500 -0.440 0.000 1.185 662 K HN 0.640 nan 8.250 nan 0.000 0.425 663 V N 2.571 122.309 119.914 -0.294 0.000 2.614 663 V HA 0.240 4.362 4.120 0.004 0.000 0.291 663 V C 0.628 176.663 176.094 -0.098 0.000 1.049 663 V CA 0.220 62.442 62.300 -0.129 0.000 1.038 663 V CB 1.025 32.780 31.823 -0.113 0.000 0.980 663 V HN 0.895 nan 8.190 nan 0.000 0.481 664 G N 4.654 113.447 108.800 -0.011 0.000 2.716 664 G HA2 0.331 4.293 3.960 0.004 0.000 0.251 664 G HA3 0.331 4.293 3.960 0.004 0.000 0.251 664 G C 0.113 175.011 174.900 -0.004 0.000 1.224 664 G CA 0.207 45.311 45.100 0.007 0.000 0.891 664 G HN 1.200 nan 8.290 nan 0.000 0.561 665 S N -0.811 114.865 115.700 -0.040 0.000 2.541 665 S HA 0.710 5.182 4.470 0.004 0.000 0.283 665 S C -0.733 173.831 174.600 -0.060 0.000 1.196 665 S CA -0.689 57.395 58.200 -0.193 0.000 1.062 665 S CB 1.248 64.371 63.200 -0.129 0.000 1.009 665 S HN 1.014 nan 8.310 nan 0.000 0.502 666 Y N -1.330 118.843 120.300 -0.211 0.000 2.553 666 Y HA 0.823 5.376 4.550 0.004 0.000 0.347 666 Y C -0.831 174.961 175.900 -0.179 0.000 1.019 666 Y CA -1.153 56.830 58.100 -0.195 0.000 1.032 666 Y CB 1.159 39.390 38.460 -0.383 0.000 1.284 666 Y HN 0.576 nan 8.280 nan 0.000 0.466 667 T N 3.119 117.768 114.554 0.158 0.000 2.881 667 T HA 0.584 4.936 4.350 0.004 0.000 0.291 667 T C -0.933 173.825 174.700 0.098 0.000 0.990 667 T CA -0.682 61.520 62.100 0.170 0.000 0.976 667 T CB 1.084 70.079 68.868 0.211 0.000 0.970 667 T HN 0.990 nan 8.240 nan 0.000 0.438 668 V N 1.120 121.087 119.914 0.088 0.000 2.864 668 V HA 0.972 5.094 4.120 0.004 0.000 0.314 668 V C -0.721 175.478 176.094 0.174 0.000 1.073 668 V CA -0.814 61.551 62.300 0.109 0.000 0.956 668 V CB 1.923 33.777 31.823 0.052 0.000 1.023 668 V HN 0.589 nan 8.190 nan 0.000 0.435 669 V N 2.444 122.509 119.914 0.252 0.000 2.628 669 V HA 0.622 4.744 4.120 0.004 0.000 0.306 669 V C -0.796 175.462 176.094 0.273 0.000 1.045 669 V CA -0.222 62.254 62.300 0.293 0.000 0.905 669 V CB 1.894 33.954 31.823 0.394 0.000 0.997 669 V HN 1.141 nan 8.190 nan 0.000 0.436 670 D N 1.828 122.436 120.400 0.347 0.000 2.350 670 D HA 0.881 5.523 4.640 0.004 0.000 0.238 670 D C -0.442 176.094 176.300 0.394 0.000 0.989 670 D CA -0.159 54.065 54.000 0.373 0.000 0.921 670 D CB 2.061 43.146 40.800 0.475 0.000 1.297 670 D HN 0.911 nan 8.370 nan 0.000 0.490 671 A N 0.535 123.559 122.820 0.339 0.000 2.572 671 A HA 0.735 5.057 4.320 0.004 0.000 0.295 671 A C -2.038 175.700 177.584 0.258 0.000 1.072 671 A CA -0.603 51.594 52.037 0.266 0.000 0.691 671 A CB 1.353 20.429 19.000 0.126 0.000 1.291 671 A HN 0.443 nan 8.150 nan 0.000 0.404 672 L N 1.108 122.453 121.223 0.203 0.000 2.431 672 L HA 0.824 5.166 4.340 0.004 0.000 0.266 672 L C -1.626 175.269 176.870 0.042 0.000 0.978 672 L CA -0.419 54.509 54.840 0.148 0.000 0.822 672 L CB 2.250 44.476 42.059 0.277 0.000 1.310 672 L HN 0.550 nan 8.230 nan 0.000 0.409 673 V N 5.110 125.001 119.914 -0.037 0.000 2.488 673 V HA 0.623 4.746 4.120 0.004 0.000 0.293 673 V C -0.662 175.388 176.094 -0.073 0.000 1.027 673 V CA -0.546 61.729 62.300 -0.042 0.000 0.862 673 V CB 1.667 33.465 31.823 -0.041 0.000 1.008 673 V HN 0.795 nan 8.190 nan 0.000 0.428 674 R N 3.927 124.406 120.500 -0.035 0.000 2.502 674 R HA 0.462 4.804 4.340 0.004 0.000 0.298 674 R C -1.896 174.431 176.300 0.044 0.000 1.018 674 R CA -0.525 55.568 56.100 -0.012 0.000 0.899 674 R CB 1.451 31.749 30.300 -0.003 0.000 1.181 674 R HN 0.758 nan 8.270 nan 0.000 0.444 675 Y N 2.864 123.132 120.300 -0.053 0.000 2.320 675 Y HA 0.185 4.737 4.550 0.004 0.000 0.334 675 Y C -0.378 175.486 175.900 -0.061 0.000 1.055 675 Y CA -0.954 57.117 58.100 -0.048 0.000 1.143 675 Y CB 1.391 39.829 38.460 -0.037 0.000 1.193 675 Y HN 0.650 nan 8.280 nan 0.000 0.477 676 D N 5.516 126.167 120.400 0.418 0.000 2.393 676 D HA 0.087 4.729 4.640 0.004 0.000 0.232 676 D C 0.287 176.573 176.300 -0.024 0.000 1.192 676 D CA -0.184 53.884 54.000 0.112 0.000 0.882 676 D CB 0.876 41.704 40.800 0.048 0.000 1.038 676 D HN 0.529 nan 8.370 nan 0.000 0.499 677 L N 3.540 124.703 121.223 -0.099 0.000 2.651 677 L HA -0.024 4.319 4.340 0.004 0.000 0.236 677 L C 2.195 179.022 176.870 -0.072 0.000 1.173 677 L CA 0.854 55.610 54.840 -0.140 0.000 0.843 677 L CB -1.084 40.939 42.059 -0.059 0.000 0.964 677 L HN 0.599 nan 8.230 nan 0.000 0.454 678 A N -1.122 121.676 122.820 -0.036 0.000 2.067 678 A HA -0.156 4.166 4.320 0.004 0.000 0.219 678 A C 2.337 179.912 177.584 -0.016 0.000 1.158 678 A CA 0.788 52.821 52.037 -0.006 0.000 0.661 678 A CB -0.402 18.600 19.000 0.004 0.000 0.801 678 A HN 0.249 nan 8.150 nan 0.000 0.452 679 R N -0.235 120.239 120.500 -0.043 0.000 2.357 679 R HA 0.025 4.368 4.340 0.004 0.000 0.202 679 R C -0.330 175.939 176.300 -0.051 0.000 1.047 679 R CA 0.619 56.700 56.100 -0.031 0.000 1.034 679 R CB -0.187 30.107 30.300 -0.011 0.000 0.875 679 R HN 0.291 nan 8.270 nan 0.000 0.473 680 V N -0.514 119.366 119.914 -0.057 0.000 2.724 680 V HA 0.208 4.330 4.120 0.004 0.000 0.341 680 V C 0.788 176.884 176.094 0.003 0.000 1.254 680 V CA 0.264 62.542 62.300 -0.037 0.000 1.261 680 V CB 0.845 32.628 31.823 -0.068 0.000 1.445 680 V HN 0.437 nan 8.190 nan 0.000 0.652 681 G N 1.700 110.509 108.800 0.014 0.000 2.212 681 G HA2 -0.319 3.643 3.960 0.004 0.000 0.266 681 G HA3 -0.319 3.643 3.960 0.004 0.000 0.266 681 G C 0.226 175.160 174.900 0.058 0.000 0.978 681 G CA 0.679 45.800 45.100 0.035 0.000 0.632 681 G HN 0.518 nan 8.290 nan 0.000 0.537 682 M N 1.560 121.197 119.600 0.062 0.000 2.325 682 M HA 0.635 5.117 4.480 0.004 0.000 0.305 682 M C 0.645 176.988 176.300 0.072 0.000 1.047 682 M CA 0.003 55.364 55.300 0.101 0.000 0.981 682 M CB 1.510 34.208 32.600 0.163 0.000 1.307 682 M HN 0.442 nan 8.290 nan 0.000 0.418 683 A N 1.368 124.228 122.820 0.066 0.000 2.475 683 A HA 0.591 4.914 4.320 0.004 0.000 0.239 683 A C 1.357 178.970 177.584 0.049 0.000 1.087 683 A CA 0.900 52.966 52.037 0.048 0.000 0.779 683 A CB -0.348 18.683 19.000 0.052 0.000 1.036 683 A HN 1.109 nan 8.150 nan 0.000 0.506 684 G N 0.292 109.108 108.800 0.027 0.000 5.359 684 G HA2 -0.308 3.655 3.960 0.004 0.000 0.333 684 G HA3 -0.308 3.655 3.960 0.004 0.000 0.333 684 G C 0.908 175.800 174.900 -0.013 0.000 1.365 684 G CA 0.826 45.934 45.100 0.014 0.000 1.008 684 G HN 1.782 nan 8.290 nan 0.000 0.816 685 S N 2.265 117.960 115.700 -0.007 0.000 2.715 685 S HA 0.335 4.807 4.470 0.004 0.000 0.318 685 S C 0.454 174.980 174.600 -0.122 0.000 1.242 685 S CA 1.287 59.436 58.200 -0.085 0.000 1.044 685 S CB 0.062 63.279 63.200 0.030 0.000 0.760 685 S HN 1.317 nan 8.310 nan 0.000 0.501 686 N N -0.512 118.066 118.700 -0.202 0.000 2.853 686 N HA 0.653 5.395 4.740 0.004 0.000 0.258 686 N C -1.263 174.135 175.510 -0.186 0.000 1.444 686 N CA -1.061 51.906 53.050 -0.138 0.000 0.837 686 N CB 1.248 39.705 38.487 -0.052 0.000 1.489 686 N HN 0.381 nan 8.380 nan 0.000 0.529 687 V N -3.614 116.245 119.914 -0.091 0.000 2.577 687 V HA 1.028 5.150 4.120 0.004 0.000 0.303 687 V C -0.701 175.371 176.094 -0.037 0.000 1.042 687 V CA -0.560 61.698 62.300 -0.071 0.000 0.872 687 V CB 0.530 32.331 31.823 -0.037 0.000 0.998 687 V HN 1.210 nan 8.190 nan 0.000 0.423 688 A N 4.639 127.411 122.820 -0.080 0.000 2.587 688 A HA 0.939 5.261 4.320 0.004 0.000 0.293 688 A C -1.696 175.688 177.584 -0.334 0.000 1.087 688 A CA -0.749 51.175 52.037 -0.188 0.000 0.692 688 A CB 1.913 20.774 19.000 -0.233 0.000 1.291 688 A HN 1.002 nan 8.150 nan 0.000 0.407 689 L N 2.479 123.490 121.223 -0.354 0.000 2.307 689 L HA 0.512 4.854 4.340 0.004 0.000 0.284 689 L C -0.474 176.143 176.870 -0.422 0.000 1.023 689 L CA 0.001 54.666 54.840 -0.291 0.000 0.810 689 L CB 1.364 43.353 42.059 -0.116 0.000 1.231 689 L HN 0.669 nan 8.230 nan 0.000 0.423 690 H N 3.098 122.188 119.070 0.034 0.000 2.489 690 H HA 0.674 5.233 4.556 0.004 0.000 0.343 690 H C -1.065 174.299 175.328 0.061 0.000 1.086 690 H CA -0.633 55.448 56.048 0.056 0.000 1.198 690 H CB 2.222 32.012 29.762 0.046 0.000 1.490 690 H HN 0.228 nan 8.280 nan 0.000 0.504 691 V N 3.717 123.747 119.914 0.193 0.000 2.577 691 V HA 0.186 4.308 4.120 0.004 0.000 0.303 691 V C -0.134 176.058 176.094 0.164 0.000 1.042 691 V CA -0.953 61.425 62.300 0.130 0.000 0.872 691 V CB 1.927 33.789 31.823 0.065 0.000 0.998 691 V HN 0.714 nan 8.190 nan 0.000 0.423 692 N N 4.440 123.219 118.700 0.131 0.000 2.392 692 N HA 0.321 5.063 4.740 0.004 0.000 0.283 692 N C -0.139 175.440 175.510 0.115 0.000 1.003 692 N CA -0.272 52.861 53.050 0.138 0.000 0.892 692 N CB 1.466 40.021 38.487 0.114 0.000 1.193 692 N HN 0.811 nan 8.380 nan 0.000 0.487 693 N N 2.375 121.158 118.700 0.139 0.000 2.621 693 N HA -0.175 4.568 4.740 0.004 0.000 0.269 693 N C 0.564 176.125 175.510 0.085 0.000 1.154 693 N CA 0.063 53.200 53.050 0.145 0.000 0.696 693 N CB -0.683 37.902 38.487 0.164 0.000 0.878 693 N HN 0.691 nan 8.380 nan 0.000 0.550 694 L N 1.032 122.278 121.223 0.037 0.000 1.970 694 L HA -0.147 4.195 4.340 0.004 0.000 0.212 694 L C 1.214 177.888 176.870 -0.327 0.000 1.071 694 L CA 1.815 56.535 54.840 -0.201 0.000 0.751 694 L CB -0.231 41.588 42.059 -0.400 0.000 0.889 694 L HN 0.411 nan 8.230 nan 0.000 0.432 695 F N 0.381 120.375 119.950 0.073 0.000 2.740 695 F HA 0.043 4.573 4.527 0.004 0.000 0.294 695 F C 0.646 176.484 175.800 0.063 0.000 1.225 695 F CA -0.220 57.816 58.000 0.061 0.000 1.426 695 F CB -1.195 37.840 39.000 0.058 0.000 1.021 695 F HN 0.151 nan 8.300 nan 0.000 0.508 696 D N 1.664 122.140 120.400 0.127 0.000 2.859 696 D HA -0.297 4.345 4.640 0.004 0.000 0.215 696 D C 0.579 176.968 176.300 0.148 0.000 1.253 696 D CA 0.326 54.392 54.000 0.110 0.000 0.673 696 D CB -0.359 40.473 40.800 0.054 0.000 0.941 696 D HN 0.240 nan 8.370 nan 0.000 0.394 697 R N 1.085 121.710 120.500 0.208 0.000 2.643 697 R HA 0.240 4.582 4.340 0.004 0.000 0.270 697 R C -0.135 176.316 176.300 0.252 0.000 1.061 697 R CA 0.259 56.496 56.100 0.229 0.000 1.107 697 R CB 0.564 31.002 30.300 0.230 0.000 0.999 697 R HN 0.294 nan 8.270 nan 0.000 0.460 698 E N 4.129 124.460 120.200 0.219 0.000 2.063 698 E HA 0.188 4.540 4.350 0.004 0.000 0.265 698 E C -1.336 175.487 176.600 0.373 0.000 0.919 698 E CA -0.468 56.032 56.400 0.167 0.000 0.756 698 E CB 0.652 30.380 29.700 0.045 0.000 1.120 698 E HN 0.539 nan 8.360 nan 0.000 0.414 699 Y N -0.880 119.565 120.300 0.242 0.000 2.609 699 Y HA 0.655 5.207 4.550 0.004 0.000 0.342 699 Y C -1.082 174.961 175.900 0.238 0.000 1.058 699 Y CA -1.502 56.726 58.100 0.214 0.000 1.055 699 Y CB 0.676 39.100 38.460 -0.060 0.000 1.292 699 Y HN 0.002 nan 8.280 nan 0.000 0.476 700 V N 2.934 122.912 119.914 0.107 0.000 2.394 700 V HA 0.531 4.653 4.120 0.004 0.000 0.282 700 V C 0.910 177.051 176.094 0.078 0.000 1.031 700 V CA 0.089 62.301 62.300 -0.147 0.000 0.881 700 V CB 0.556 32.195 31.823 -0.307 0.000 0.982 700 V HN 1.153 nan 8.190 nan 0.000 0.451 701 A N 4.435 127.268 122.820 0.022 0.000 1.873 701 A HA 0.198 4.520 4.320 0.004 0.000 0.215 701 A C 1.052 178.797 177.584 0.269 0.000 1.186 701 A CA 1.500 53.679 52.037 0.236 0.000 0.616 701 A CB -0.079 19.021 19.000 0.167 0.000 0.823 701 A HN 1.292 nan 8.150 nan 0.000 0.442 702 S N -4.374 111.427 115.700 0.168 0.000 2.683 702 S HA 0.466 4.938 4.470 0.004 0.000 0.264 702 S C -1.200 173.402 174.600 0.003 0.000 1.066 702 S CA -0.475 57.782 58.200 0.095 0.000 0.846 702 S CB 0.354 63.636 63.200 0.136 0.000 1.114 702 S HN 0.798 nan 8.310 nan 0.000 0.476 703 c N 1.437 119.983 118.600 -0.091 0.000 2.783 703 c HA 0.681 5.253 4.570 0.004 0.000 0.312 703 c C 0.695 174.658 174.090 -0.212 0.000 1.182 703 c CA -0.835 55.330 56.329 -0.272 0.000 1.432 703 c CB 0.547 42.948 42.510 -0.183 0.000 1.933 703 c HN 0.997 nan 8.230 nan 0.000 0.473 704 F N 0.427 120.161 119.950 -0.359 0.000 2.749 704 F HA 0.446 4.975 4.527 0.004 0.000 0.300 704 F C 0.416 175.971 175.800 -0.410 0.000 1.103 704 F CA 0.128 57.937 58.000 -0.318 0.000 1.342 704 F CB -0.033 38.785 39.000 -0.302 0.000 1.098 704 F HN 0.551 nan 8.300 nan 0.000 0.586 705 N N -0.228 117.760 118.700 -1.186 0.000 3.452 705 N HA -0.010 4.732 4.740 0.004 0.000 0.231 705 N C 0.797 175.768 175.510 -0.899 0.000 1.264 705 N CA 0.586 53.006 53.050 -1.049 0.000 0.928 705 N CB 1.287 38.814 38.487 -1.601 0.000 1.547 705 N HN 0.048 nan 8.380 nan 0.000 0.509 706 T N -0.435 113.854 114.554 -0.441 0.000 2.755 706 T HA -0.275 4.077 4.350 0.004 0.000 0.266 706 T C 1.481 175.874 174.700 -0.512 0.000 1.041 706 T CA 2.154 63.955 62.100 -0.499 0.000 1.147 706 T CB -0.731 67.946 68.868 -0.318 0.000 0.847 706 T HN 0.643 nan 8.240 nan 0.000 0.478 707 Y N -0.027 119.962 120.300 -0.519 0.000 2.467 707 Y HA 0.699 5.251 4.550 0.004 0.000 0.250 707 Y C 1.081 176.636 175.900 -0.575 0.000 1.155 707 Y CA -1.248 56.588 58.100 -0.440 0.000 1.249 707 Y CB -0.063 38.207 38.460 -0.317 0.000 1.146 707 Y HN 0.218 nan 8.280 nan 0.000 0.524 708 G N 0.980 109.056 108.800 -1.207 0.000 4.160 708 G HA2 0.463 4.425 3.960 0.004 0.000 0.341 708 G HA3 0.463 4.425 3.960 0.004 0.000 0.341 708 G C -1.081 173.037 174.900 -1.302 0.000 1.510 708 G CA -0.296 43.983 45.100 -1.369 0.000 1.011 708 G HN 0.280 nan 8.290 nan 0.000 0.491 709 c N 0.454 118.457 118.600 -0.995 0.000 2.407 709 c HA 0.882 5.454 4.570 0.004 0.000 0.366 709 c C -0.761 172.682 174.090 -1.077 0.000 1.213 709 c CA -0.572 55.178 56.329 -0.965 0.000 2.011 709 c CB 0.750 42.936 42.510 -0.541 0.000 2.306 709 c HN 0.555 nan 8.230 nan 0.000 0.527 710 F N -0.614 119.267 119.950 -0.115 0.000 2.574 710 F HA 0.365 4.894 4.527 0.004 0.000 0.313 710 F C -0.558 175.170 175.800 -0.120 0.000 1.130 710 F CA -0.846 57.148 58.000 -0.009 0.000 0.936 710 F CB 0.482 39.524 39.000 0.069 0.000 1.219 710 F HN 0.627 nan 8.300 nan 0.000 0.445 711 W N 1.669 123.065 121.300 0.159 0.000 2.218 711 W HA 0.546 5.208 4.660 0.004 0.000 0.326 711 W C 0.861 177.248 176.519 -0.220 0.000 1.276 711 W CA -0.270 57.038 57.345 -0.062 0.000 1.210 711 W CB 1.027 30.451 29.460 -0.060 0.000 1.143 711 W HN 0.723 nan 8.180 nan 0.000 0.563 712 G N 1.159 109.770 108.800 -0.316 0.000 2.572 712 G HA2 0.459 4.421 3.960 0.004 0.000 0.261 712 G HA3 0.459 4.421 3.960 0.004 0.000 0.261 712 G C -0.555 174.077 174.900 -0.446 0.000 1.197 712 G CA -0.771 43.809 45.100 -0.866 0.000 0.870 712 G HN 0.743 nan 8.290 nan 0.000 0.548 713 A N 0.547 123.233 122.820 -0.224 0.000 2.511 713 A HA 0.412 4.734 4.320 0.004 0.000 0.242 713 A C 0.854 178.423 177.584 -0.025 0.000 1.069 713 A CA 0.021 52.024 52.037 -0.057 0.000 0.763 713 A CB -0.076 18.937 19.000 0.021 0.000 1.001 713 A HN 0.807 nan 8.150 nan 0.000 0.498 714 E N 2.385 122.567 120.200 -0.030 0.000 2.369 714 E HA 0.319 4.671 4.350 0.004 0.000 0.255 714 E C 0.283 176.898 176.600 0.025 0.000 1.172 714 E CA -0.934 55.458 56.400 -0.013 0.000 0.932 714 E CB 0.522 30.186 29.700 -0.059 0.000 1.040 714 E HN 0.669 nan 8.360 nan 0.000 0.454 715 R N 0.766 121.285 120.500 0.033 0.000 2.566 715 R HA -0.158 4.184 4.340 0.004 0.000 0.273 715 R C -0.545 175.765 176.300 0.016 0.000 0.981 715 R CA 0.632 56.752 56.100 0.032 0.000 1.091 715 R CB 0.379 30.686 30.300 0.013 0.000 0.924 715 R HN 0.683 nan 8.270 nan 0.000 0.411 716 Q N 4.151 123.967 119.800 0.027 0.000 2.294 716 Q HA 0.313 4.655 4.340 0.004 0.000 0.264 716 Q C -1.742 174.274 176.000 0.028 0.000 0.992 716 Q CA -0.849 54.965 55.803 0.018 0.000 0.747 716 Q CB 1.888 30.640 28.738 0.024 0.000 1.262 716 Q HN 0.494 nan 8.270 nan 0.000 0.452 717 V N 3.704 123.624 119.914 0.011 0.000 2.472 717 V HA 0.562 4.684 4.120 0.004 0.000 0.290 717 V C -0.342 175.765 176.094 0.022 0.000 1.037 717 V CA -0.613 61.700 62.300 0.021 0.000 0.908 717 V CB 1.682 33.505 31.823 -0.001 0.000 0.985 717 V HN 0.588 nan 8.190 nan 0.000 0.454 718 V N 3.458 123.412 119.914 0.067 0.000 2.577 718 V HA 0.780 4.902 4.120 0.004 0.000 0.303 718 V C 0.080 176.243 176.094 0.115 0.000 1.042 718 V CA -0.524 61.825 62.300 0.083 0.000 0.872 718 V CB 1.864 33.755 31.823 0.113 0.000 0.998 718 V HN 1.019 nan 8.190 nan 0.000 0.423 719 A N 3.525 126.384 122.820 0.065 0.000 2.304 719 A HA 0.925 5.247 4.320 0.004 0.000 0.323 719 A C 0.109 177.747 177.584 0.091 0.000 1.195 719 A CA -0.260 51.804 52.037 0.046 0.000 0.826 719 A CB 1.249 20.260 19.000 0.018 0.000 1.184 719 A HN 0.984 nan 8.150 nan 0.000 0.496 720 T N -1.255 113.356 114.554 0.094 0.000 2.906 720 T HA 0.829 5.182 4.350 0.004 0.000 0.295 720 T C -0.553 174.177 174.700 0.049 0.000 1.075 720 T CA -0.208 61.960 62.100 0.113 0.000 1.005 720 T CB 1.908 70.883 68.868 0.179 0.000 1.136 720 T HN 1.845 nan 8.240 nan 0.000 0.498 721 A N 1.644 124.487 122.820 0.038 0.000 2.385 721 A HA 0.696 5.019 4.320 0.004 0.000 0.290 721 A C -0.194 177.225 177.584 -0.275 0.000 1.094 721 A CA -0.798 51.170 52.037 -0.115 0.000 0.729 721 A CB 1.102 20.171 19.000 0.114 0.000 1.194 721 A HN 0.883 nan 8.150 nan 0.000 0.442 722 T N 2.017 116.305 114.554 -0.443 0.000 2.797 722 T HA 0.649 5.001 4.350 0.004 0.000 0.279 722 T C -1.101 173.227 174.700 -0.619 0.000 0.991 722 T CA 0.056 61.925 62.100 -0.384 0.000 0.979 722 T CB 0.348 69.099 68.868 -0.195 0.000 0.943 722 T HN 0.332 nan 8.240 nan 0.000 0.444 723 F N 2.093 121.908 119.950 -0.224 0.000 2.500 723 F HA 0.416 4.945 4.527 0.004 0.000 0.349 723 F C 0.915 176.479 175.800 -0.394 0.000 1.127 723 F CA -0.959 56.852 58.000 -0.316 0.000 0.998 723 F CB 1.384 40.068 39.000 -0.526 0.000 1.237 723 F HN 0.287 nan 8.300 nan 0.000 0.439 724 R N 4.166 124.651 120.500 -0.026 0.000 3.785 724 R HA 0.295 4.637 4.340 0.004 0.000 0.255 724 R C 0.113 176.508 176.300 0.157 0.000 1.485 724 R CA -0.497 55.617 56.100 0.024 0.000 1.555 724 R CB 0.015 30.337 30.300 0.037 0.000 1.362 724 R HN 0.552 nan 8.270 nan 0.000 0.702 725 F N 0.000 120.076 119.950 0.210 0.000 2.286 725 F HA 0.000 4.529 4.527 0.003 0.000 0.279 725 F CA 0.000 58.098 58.000 0.163 0.000 1.383 725 F CB 0.000 39.094 39.000 0.157 0.000 1.145 725 F HN 0.000 nan 8.300 nan 0.000 0.574