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 2xja_1_A DATA FIRST_RESID 26 DATA SEQUENCE LRPNAVVGVR LAALADQVGA ALAEGPAQRA VTEDRTVTGV TLRAQDVSPG DATA SEQUENCE DLFAALTGST THGARHVGDA IARGAVAVLT DPAGVAEIAG RAAVPVLVHP DATA SEQUENCE APRGVLGGLA ATVYGHPSER LTVIGITGTS GKTTTTYLVE AGLRAAGRVA DATA SEQUENCE GLIGTIGIRV GGADLPSALT TPEAPTLQAM LAAMVERGVD TVVMEVSSHA DATA SEQUENCE LALGRVDGTR FAVGAFTNLS RDHLDFHPSM ADYFEAXASL FDPDSALRAR DATA SEQUENCE TAVVCIDDDA GRAMAARAAD AITVSAADRP AHWRATDVAP TDAGGQQFTA DATA SEQUENCE IDPAGVGHHI GIRLPGRYNV ANCLVALAIL DTVGVSPEQA VPGLREIRVP DATA SEQUENCE GRLEQIDRGQ GFLALVDYAH KPEALRSVLT TLAHPDRRLA VVFGAGGDRD DATA SEQUENCE PGKRAPMGRI AAQLADLVVV TDDNPRDEDP TAIRREILAG AAXXXGDAQV DATA SEQUENCE VEIADRRDAI RHAVAWARPG DVVLIAGKGH ETGQRGXXRV RPFDDRVELA DATA SEQUENCE AALEALE 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 26 L HA 0.000 nan 4.340 nan 0.000 0.249 26 L C 0.000 176.827 176.870 -0.072 0.000 1.165 26 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 26 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 27 R N 1.629 122.094 120.500 -0.058 0.000 2.577 27 R HA 0.682 5.070 4.340 0.079 0.000 0.269 27 R C -2.410 173.861 176.300 -0.048 0.000 1.084 27 R CA -1.128 54.929 56.100 -0.072 0.000 1.163 27 R CB 0.667 30.961 30.300 -0.009 0.000 1.100 27 R HN 0.381 nan 8.270 nan 0.000 0.547 28 P HA 0.168 nan 4.420 nan 0.000 0.288 28 P C -0.746 176.573 177.300 0.032 0.000 1.267 28 P CA -0.420 62.679 63.100 -0.002 0.000 0.815 28 P CB 1.091 32.800 31.700 0.016 0.000 0.989 29 N N 1.519 120.230 118.700 0.018 0.000 2.142 29 N HA -0.072 4.715 4.740 0.079 0.000 0.186 29 N C 0.700 176.226 175.510 0.026 0.000 1.023 29 N CA 1.078 54.140 53.050 0.019 0.000 0.852 29 N CB -0.327 38.165 38.487 0.009 0.000 0.998 29 N HN 0.522 nan 8.380 nan 0.000 0.424 30 A N 1.136 123.972 122.820 0.027 0.000 2.644 30 A HA 0.447 4.815 4.320 0.079 0.000 0.343 30 A C -0.431 177.173 177.584 0.033 0.000 1.324 30 A CA -0.560 51.492 52.037 0.024 0.000 0.846 30 A CB 0.441 19.450 19.000 0.015 0.000 1.128 30 A HN 0.002 nan 8.150 nan 0.000 0.484 31 V N 3.633 123.570 119.914 0.038 0.000 2.384 31 V HA 0.687 4.855 4.120 0.079 0.000 0.287 31 V C -0.093 175.999 176.094 -0.003 0.000 1.020 31 V CA -0.535 61.784 62.300 0.031 0.000 0.850 31 V CB 1.373 33.230 31.823 0.057 0.000 0.987 31 V HN 0.920 nan 8.190 nan 0.000 0.436 32 V N 4.815 124.723 119.914 -0.011 0.000 2.530 32 V HA 0.786 4.954 4.120 0.079 0.000 0.282 32 V C 1.107 177.174 176.094 -0.045 0.000 1.048 32 V CA 0.318 62.605 62.300 -0.021 0.000 0.997 32 V CB 0.213 32.029 31.823 -0.013 0.000 0.987 32 V HN 1.128 nan 8.190 nan 0.000 0.477 33 G N 3.074 111.845 108.800 -0.048 0.000 2.683 33 G HA2 0.478 4.486 3.960 0.079 0.000 0.260 33 G HA3 0.478 4.486 3.960 0.079 0.000 0.260 33 G C -0.531 174.329 174.900 -0.067 0.000 1.238 33 G CA -0.482 44.577 45.100 -0.069 0.000 0.934 33 G HN 1.047 nan 8.290 nan 0.000 0.534 34 V N 0.110 119.979 119.914 -0.075 0.000 2.483 34 V HA 0.651 4.818 4.120 0.079 0.000 0.297 34 V C 0.803 176.870 176.094 -0.046 0.000 1.027 34 V CA -0.749 61.514 62.300 -0.061 0.000 0.855 34 V CB 0.740 32.514 31.823 -0.082 0.000 0.995 34 V HN 1.188 nan 8.190 nan 0.000 0.424 35 R N 2.747 123.229 120.500 -0.030 0.000 2.523 35 R HA 0.135 4.522 4.340 0.079 0.000 0.281 35 R C 0.924 177.210 176.300 -0.022 0.000 0.969 35 R CA 0.635 56.722 56.100 -0.021 0.000 1.093 35 R CB -0.497 29.795 30.300 -0.013 0.000 0.917 35 R HN 0.836 nan 8.270 nan 0.000 0.408 36 L N 2.952 124.165 121.223 -0.018 0.000 2.131 36 L HA -0.017 4.370 4.340 0.079 0.000 0.210 36 L C 2.793 179.657 176.870 -0.010 0.000 1.092 36 L CA 2.595 57.426 54.840 -0.016 0.000 0.759 36 L CB -0.762 41.292 42.059 -0.009 0.000 0.903 36 L HN 0.894 nan 8.230 nan 0.000 0.435 37 A N -0.252 122.565 122.820 -0.006 0.000 1.892 37 A HA -0.251 4.116 4.320 0.079 0.000 0.218 37 A C 2.485 180.068 177.584 -0.002 0.000 1.188 37 A CA 2.313 54.349 52.037 -0.001 0.000 0.631 37 A CB -1.280 17.720 19.000 -0.000 0.000 0.822 37 A HN 0.583 nan 8.150 nan 0.000 0.447 38 A N -1.090 121.726 122.820 -0.006 0.000 1.902 38 A HA 0.013 4.380 4.320 0.079 0.000 0.217 38 A C 2.012 179.590 177.584 -0.010 0.000 1.181 38 A CA 1.700 53.734 52.037 -0.006 0.000 0.623 38 A CB -0.525 18.470 19.000 -0.008 0.000 0.818 38 A HN 0.405 nan 8.150 nan 0.000 0.443 39 L N -0.426 120.785 121.223 -0.020 0.000 2.083 39 L HA -0.122 4.266 4.340 0.079 0.000 0.209 39 L C 2.916 179.776 176.870 -0.018 0.000 1.083 39 L CA 1.814 56.637 54.840 -0.028 0.000 0.752 39 L CB -1.231 40.803 42.059 -0.041 0.000 0.899 39 L HN 0.423 nan 8.230 nan 0.000 0.433 40 A N -0.747 122.070 122.820 -0.006 0.000 1.873 40 A HA -0.191 4.177 4.320 0.079 0.000 0.215 40 A C 1.995 179.590 177.584 0.017 0.000 1.186 40 A CA 1.732 53.774 52.037 0.008 0.000 0.616 40 A CB -0.685 18.323 19.000 0.013 0.000 0.823 40 A HN 0.394 nan 8.150 nan 0.000 0.442 41 D N -0.816 119.592 120.400 0.013 0.000 2.178 41 D HA -0.159 4.529 4.640 0.079 0.000 0.201 41 D C 2.055 178.367 176.300 0.020 0.000 0.980 41 D CA 1.399 55.410 54.000 0.018 0.000 0.842 41 D CB -0.215 40.593 40.800 0.013 0.000 0.948 41 D HN 0.700 nan 8.370 nan 0.000 0.472 42 Q N 0.487 120.294 119.800 0.011 0.000 1.967 42 Q HA -0.132 4.256 4.340 0.079 0.000 0.202 42 Q C 1.983 177.990 176.000 0.012 0.000 0.985 42 Q CA 1.250 57.059 55.803 0.011 0.000 0.839 42 Q CB -0.180 28.561 28.738 0.004 0.000 0.906 42 Q HN 0.119 nan 8.270 nan 0.000 0.423 43 V N 0.507 120.415 119.914 -0.010 0.000 2.720 43 V HA -0.104 4.063 4.120 0.079 0.000 0.256 43 V C 1.263 177.410 176.094 0.089 0.000 1.082 43 V CA 1.350 63.628 62.300 -0.036 0.000 1.101 43 V CB -0.819 30.912 31.823 -0.153 0.000 0.693 43 V HN 0.783 nan 8.190 nan 0.000 0.479 44 G N 0.285 109.135 108.800 0.084 0.000 2.314 44 G HA2 -0.138 3.870 3.960 0.079 0.000 0.292 44 G HA3 -0.138 3.870 3.960 0.079 0.000 0.292 44 G C 0.159 175.157 174.900 0.164 0.000 1.059 44 G CA 0.297 45.461 45.100 0.107 0.000 0.982 44 G HN 1.020 nan 8.290 nan 0.000 0.505 45 A N -0.614 122.300 122.820 0.156 0.000 2.296 45 A HA 0.968 5.336 4.320 0.079 0.000 0.264 45 A C 0.908 178.538 177.584 0.077 0.000 1.097 45 A CA 0.836 52.967 52.037 0.158 0.000 0.811 45 A CB 0.869 19.940 19.000 0.119 0.000 1.072 45 A HN 2.167 nan 8.150 nan 0.000 0.495 46 A N -0.377 122.478 122.820 0.058 0.000 2.284 46 A HA 0.763 5.131 4.320 0.079 0.000 0.317 46 A C -0.775 176.827 177.584 0.031 0.000 1.120 46 A CA -0.598 51.459 52.037 0.033 0.000 0.900 46 A CB 0.588 19.600 19.000 0.020 0.000 1.319 46 A HN 0.768 nan 8.150 nan 0.000 0.494 47 L N 0.076 121.312 121.223 0.022 0.000 2.305 47 L HA 0.498 4.886 4.340 0.079 0.000 0.284 47 L C 1.330 178.210 176.870 0.017 0.000 1.013 47 L CA -0.164 54.688 54.840 0.020 0.000 0.819 47 L CB 1.796 43.865 42.059 0.016 0.000 1.227 47 L HN 0.891 nan 8.230 nan 0.000 0.417 48 A N 2.053 124.884 122.820 0.018 0.000 1.972 48 A HA -0.164 4.204 4.320 0.079 0.000 0.219 48 A C 1.980 179.570 177.584 0.010 0.000 1.169 48 A CA 1.585 53.630 52.037 0.014 0.000 0.635 48 A CB -0.138 18.871 19.000 0.015 0.000 0.810 48 A HN 0.803 nan 8.150 nan 0.000 0.446 49 E N -0.803 119.404 120.200 0.011 0.000 2.014 49 E HA 0.312 4.709 4.350 0.079 0.000 0.190 49 E C 0.977 177.581 176.600 0.007 0.000 0.980 49 E CA 1.280 57.685 56.400 0.008 0.000 0.807 49 E CB -0.132 29.573 29.700 0.009 0.000 0.770 49 E HN 0.527 nan 8.360 nan 0.000 0.451 50 G N -1.419 107.385 108.800 0.008 0.000 2.601 50 G HA2 0.290 4.298 3.960 0.079 0.000 0.291 50 G HA3 0.290 4.298 3.960 0.079 0.000 0.291 50 G C -2.472 172.433 174.900 0.008 0.000 1.456 50 G CA -0.510 44.594 45.100 0.007 0.000 0.804 50 G HN -0.079 nan 8.290 nan 0.000 0.499 51 P HA 0.053 nan 4.420 nan 0.000 0.230 51 P C 1.298 178.602 177.300 0.007 0.000 1.158 51 P CA 1.241 64.345 63.100 0.007 0.000 0.769 51 P CB 0.524 32.228 31.700 0.006 0.000 0.807 52 A N -0.572 122.251 122.820 0.006 0.000 2.169 52 A HA 0.148 4.516 4.320 0.079 0.000 0.210 52 A C 2.492 180.080 177.584 0.006 0.000 1.168 52 A CA 1.014 53.054 52.037 0.005 0.000 0.813 52 A CB -1.255 17.747 19.000 0.004 0.000 0.861 52 A HN 0.212 nan 8.150 nan 0.000 0.481 53 Q N -0.434 119.370 119.800 0.007 0.000 2.325 53 Q HA -0.200 4.188 4.340 0.079 0.000 0.211 53 Q C 1.771 177.775 176.000 0.008 0.000 0.988 53 Q CA 2.213 58.020 55.803 0.008 0.000 0.887 53 Q CB -1.655 27.089 28.738 0.009 0.000 0.915 53 Q HN 0.957 nan 8.270 nan 0.000 0.440 54 R N 0.115 120.620 120.500 0.008 0.000 4.980 54 R HA 0.625 5.013 4.340 0.079 0.000 0.190 54 R C 1.442 177.745 176.300 0.005 0.000 2.095 54 R CA 0.979 57.083 56.100 0.007 0.000 1.717 54 R CB -1.455 28.849 30.300 0.008 0.000 1.337 54 R HN 0.990 nan 8.270 nan 0.000 0.820 55 A N -0.658 122.165 122.820 0.005 0.000 1.937 55 A HA 0.189 4.557 4.320 0.079 0.000 0.198 55 A C 2.017 179.603 177.584 0.003 0.000 1.635 55 A CA 0.975 53.014 52.037 0.004 0.000 1.111 55 A CB 0.048 19.050 19.000 0.003 0.000 1.165 55 A HN 1.078 nan 8.150 nan 0.000 0.460 56 V N -2.357 117.560 119.914 0.004 0.000 3.235 56 V HA 0.019 4.187 4.120 0.079 0.000 0.259 56 V C 1.884 177.980 176.094 0.004 0.000 1.133 56 V CA 2.637 64.939 62.300 0.004 0.000 1.128 56 V CB -0.601 31.225 31.823 0.005 0.000 0.757 56 V HN 0.373 nan 8.190 nan 0.000 0.469 57 T N 0.735 115.292 114.554 0.004 0.000 2.857 57 T HA -0.078 4.319 4.350 0.079 0.000 0.266 57 T C 2.011 176.711 174.700 0.001 0.000 1.048 57 T CA 2.215 64.317 62.100 0.004 0.000 1.139 57 T CB -0.426 68.445 68.868 0.006 0.000 0.874 57 T HN 0.882 nan 8.240 nan 0.000 0.455 58 E N 1.252 121.453 120.200 0.001 0.000 2.393 58 E HA -0.177 4.221 4.350 0.079 0.000 0.201 58 E C 1.649 178.247 176.600 -0.002 0.000 1.025 58 E CA 1.742 58.142 56.400 -0.000 0.000 0.856 58 E CB -0.569 29.132 29.700 0.001 0.000 0.771 58 E HN 0.710 nan 8.360 nan 0.000 0.526 59 D N -0.992 119.407 120.400 -0.002 0.000 2.615 59 D HA 0.060 4.747 4.640 0.079 0.000 0.259 59 D C 0.651 176.948 176.300 -0.004 0.000 0.999 59 D CA -0.035 53.963 54.000 -0.002 0.000 0.938 59 D CB -0.026 40.774 40.800 -0.001 0.000 1.121 59 D HN 0.325 nan 8.370 nan 0.000 0.487 60 R N 1.325 121.823 120.500 -0.004 0.000 2.590 60 R HA 0.324 4.712 4.340 0.079 0.000 0.274 60 R C -0.089 176.204 176.300 -0.012 0.000 1.061 60 R CA 0.385 56.481 56.100 -0.006 0.000 1.081 60 R CB 0.184 30.483 30.300 -0.002 0.000 0.984 60 R HN -0.077 nan 8.270 nan 0.000 0.448 61 T N 1.781 116.326 114.554 -0.016 0.000 2.795 61 T HA 0.277 4.675 4.350 0.079 0.000 0.282 61 T C -0.026 174.654 174.700 -0.033 0.000 0.980 61 T CA -0.646 61.439 62.100 -0.025 0.000 1.012 61 T CB 1.765 70.619 68.868 -0.024 0.000 0.936 61 T HN 0.185 nan 8.240 nan 0.000 0.457 62 V N 3.792 123.676 119.914 -0.050 0.000 2.394 62 V HA 0.400 4.568 4.120 0.079 0.000 0.282 62 V C 1.168 177.201 176.094 -0.103 0.000 1.031 62 V CA -0.444 61.816 62.300 -0.067 0.000 0.881 62 V CB 1.428 33.205 31.823 -0.076 0.000 0.982 62 V HN 1.172 nan 8.190 nan 0.000 0.451 63 T N 0.174 114.668 114.554 -0.100 0.000 3.091 63 T HA 0.496 4.894 4.350 0.079 0.000 0.277 63 T C 0.441 175.037 174.700 -0.174 0.000 0.996 63 T CA 0.293 62.316 62.100 -0.128 0.000 0.897 63 T CB 0.546 69.380 68.868 -0.057 0.000 1.109 63 T HN 0.939 nan 8.240 nan 0.000 0.534 64 G N 0.191 108.889 108.800 -0.169 0.000 2.677 64 G HA2 0.579 4.586 3.960 0.079 0.000 0.291 64 G HA3 0.579 4.586 3.960 0.079 0.000 0.291 64 G C -2.136 172.722 174.900 -0.070 0.000 1.435 64 G CA -0.666 44.373 45.100 -0.101 0.000 0.826 64 G HN 0.256 nan 8.290 nan 0.000 0.491 65 V N 0.038 119.993 119.914 0.068 0.000 2.668 65 V HA 0.810 4.978 4.120 0.079 0.000 0.304 65 V C -0.293 175.897 176.094 0.160 0.000 1.071 65 V CA -0.502 61.850 62.300 0.087 0.000 0.894 65 V CB 1.785 33.644 31.823 0.060 0.000 1.008 65 V HN 1.091 nan 8.190 nan 0.000 0.425 66 T N 4.090 118.738 114.554 0.156 0.000 2.900 66 T HA 0.540 4.938 4.350 0.079 0.000 0.303 66 T C -0.004 174.813 174.700 0.195 0.000 1.142 66 T CA -0.459 61.743 62.100 0.170 0.000 1.007 66 T CB 1.779 70.750 68.868 0.172 0.000 1.156 66 T HN 0.793 nan 8.240 nan 0.000 0.490 67 L N 0.727 122.034 121.223 0.140 0.000 2.857 67 L HA 0.723 5.110 4.340 0.079 0.000 0.249 67 L C 0.432 177.438 176.870 0.226 0.000 1.172 67 L CA -0.692 54.196 54.840 0.080 0.000 0.980 67 L CB -0.362 41.691 42.059 -0.009 0.000 1.299 67 L HN 0.556 nan 8.230 nan 0.000 0.535 68 R N 0.374 121.058 120.500 0.306 0.000 2.407 68 R HA 0.733 5.121 4.340 0.079 0.000 0.298 68 R C 0.945 177.335 176.300 0.151 0.000 1.166 68 R CA 0.280 56.514 56.100 0.223 0.000 1.006 68 R CB 0.403 30.749 30.300 0.076 0.000 1.145 68 R HN 0.366 nan 8.270 nan 0.000 0.538 69 A N 1.048 123.898 122.820 0.051 0.000 1.944 69 A HA -0.364 4.004 4.320 0.079 0.000 0.222 69 A C 1.945 179.400 177.584 -0.215 0.000 1.237 69 A CA 2.415 54.177 52.037 -0.458 0.000 0.668 69 A CB -0.263 18.450 19.000 -0.480 0.000 0.830 69 A HN 0.821 nan 8.150 nan 0.000 0.471 70 Q N -0.604 119.127 119.800 -0.116 0.000 2.291 70 Q HA -0.106 4.281 4.340 0.079 0.000 0.206 70 Q C 0.819 176.791 176.000 -0.047 0.000 0.976 70 Q CA 1.501 57.259 55.803 -0.075 0.000 0.875 70 Q CB -0.148 28.558 28.738 -0.053 0.000 0.927 70 Q HN 0.693 nan 8.270 nan 0.000 0.450 71 D N -0.924 119.461 120.400 -0.024 0.000 2.339 71 D HA 0.003 4.691 4.640 0.079 0.000 0.217 71 D C -0.184 176.125 176.300 0.015 0.000 1.050 71 D CA 0.030 54.033 54.000 0.005 0.000 0.856 71 D CB 0.263 41.081 40.800 0.031 0.000 0.922 71 D HN 0.127 nan 8.370 nan 0.000 0.518 72 V N 0.139 120.046 119.914 -0.012 0.000 2.521 72 V HA 0.234 4.401 4.120 0.079 0.000 0.286 72 V C 0.367 176.463 176.094 0.003 0.000 1.034 72 V CA -0.257 62.046 62.300 0.006 0.000 1.045 72 V CB 1.051 32.858 31.823 -0.028 0.000 0.974 72 V HN -0.106 nan 8.190 nan 0.000 0.480 73 S N 6.722 122.437 115.700 0.025 0.000 2.652 73 S HA 0.522 5.040 4.470 0.079 0.000 0.270 73 S C -2.435 172.173 174.600 0.013 0.000 1.243 73 S CA -0.820 57.391 58.200 0.018 0.000 0.999 73 S CB 1.221 64.440 63.200 0.031 0.000 0.973 73 S HN 0.832 nan 8.310 nan 0.000 0.544 74 P HA 0.166 nan 4.420 nan 0.000 0.266 74 P C 0.775 178.080 177.300 0.007 0.000 1.195 74 P CA 1.069 64.172 63.100 0.004 0.000 0.768 74 P CB 0.233 31.934 31.700 0.002 0.000 0.838 75 G N 1.504 110.307 108.800 0.005 0.000 2.199 75 G HA2 -0.205 3.802 3.960 0.079 0.000 0.254 75 G HA3 -0.205 3.802 3.960 0.079 0.000 0.254 75 G C -0.039 174.861 174.900 -0.001 0.000 0.982 75 G CA -0.168 44.932 45.100 -0.001 0.000 0.632 75 G HN 0.499 nan 8.290 nan 0.000 0.529 76 D N 0.186 120.596 120.400 0.017 0.000 2.341 76 D HA 0.440 5.128 4.640 0.079 0.000 0.245 76 D C 0.749 177.078 176.300 0.049 0.000 1.106 76 D CA -0.418 53.600 54.000 0.030 0.000 0.905 76 D CB 0.949 41.788 40.800 0.065 0.000 1.202 76 D HN 0.187 nan 8.370 nan 0.000 0.426 77 L N 3.089 124.336 121.223 0.041 0.000 2.313 77 L HA 0.272 4.660 4.340 0.079 0.000 0.282 77 L C -0.649 176.314 176.870 0.156 0.000 1.092 77 L CA -0.503 54.380 54.840 0.070 0.000 0.831 77 L CB 0.138 42.204 42.059 0.012 0.000 1.159 77 L HN 0.377 nan 8.230 nan 0.000 0.442 78 F N 5.071 125.030 119.950 0.015 0.000 2.424 78 F HA 0.431 5.005 4.527 0.078 0.000 0.356 78 F C 0.400 176.222 175.800 0.036 0.000 1.110 78 F CA -0.821 57.196 58.000 0.029 0.000 1.161 78 F CB 1.044 40.066 39.000 0.037 0.000 1.115 78 F HN 0.613 nan 8.300 nan 0.000 0.507 79 A N 6.023 128.627 122.820 -0.361 0.000 2.316 79 A HA 0.621 4.988 4.320 0.079 0.000 0.311 79 A C -0.183 176.850 177.584 -0.918 0.000 1.339 79 A CA -0.323 51.438 52.037 -0.461 0.000 0.960 79 A CB -0.202 18.679 19.000 -0.199 0.000 1.152 79 A HN 0.977 nan 8.150 nan 0.000 0.547 80 A N 4.439 126.755 122.820 -0.840 0.000 2.506 80 A HA 0.589 4.957 4.320 0.079 0.000 0.320 80 A C -0.025 177.494 177.584 -0.109 0.000 1.424 80 A CA -0.237 51.443 52.037 -0.596 0.000 1.044 80 A CB -0.386 18.450 19.000 -0.273 0.000 1.140 80 A HN 0.799 nan 8.150 nan 0.000 0.538 81 L N 1.602 122.747 121.223 -0.130 0.000 2.334 81 L HA 0.600 4.987 4.340 0.079 0.000 0.270 81 L C 1.052 177.655 176.870 -0.446 0.000 1.018 81 L CA -0.855 53.877 54.840 -0.180 0.000 0.811 81 L CB 1.840 43.819 42.059 -0.134 0.000 1.271 81 L HN 0.682 nan 8.230 nan 0.000 0.443 82 T N -1.185 112.966 114.554 -0.671 0.000 2.904 82 T HA 0.690 5.087 4.350 0.079 0.000 0.290 82 T C -0.026 174.535 174.700 -0.232 0.000 1.018 82 T CA -0.192 61.497 62.100 -0.687 0.000 1.075 82 T CB 1.620 70.157 68.868 -0.552 0.000 0.986 82 T HN 0.816 nan 8.240 nan 0.000 0.523 83 G N 0.305 109.034 108.800 -0.119 0.000 2.708 83 G HA2 0.478 4.486 3.960 0.079 0.000 0.289 83 G HA3 0.478 4.486 3.960 0.079 0.000 0.289 83 G C 0.455 175.359 174.900 0.007 0.000 1.416 83 G CA -0.495 44.587 45.100 -0.029 0.000 0.829 83 G HN 0.617 nan 8.290 nan 0.000 0.480 84 S N -0.902 114.817 115.700 0.031 0.000 2.447 84 S HA -0.049 4.469 4.470 0.079 0.000 0.233 84 S C 2.139 176.764 174.600 0.042 0.000 1.006 84 S CA 1.870 60.094 58.200 0.040 0.000 0.957 84 S CB -0.018 63.217 63.200 0.059 0.000 0.773 84 S HN 0.633 nan 8.310 nan 0.000 0.507 85 T N -0.643 113.939 114.554 0.046 0.000 3.042 85 T HA 0.189 4.586 4.350 0.079 0.000 0.245 85 T C 0.864 175.608 174.700 0.072 0.000 1.029 85 T CA 0.498 62.630 62.100 0.054 0.000 1.120 85 T CB 0.411 69.309 68.868 0.050 0.000 0.917 85 T HN 0.366 nan 8.240 nan 0.000 0.467 86 T N -0.141 114.465 114.554 0.086 0.000 2.645 86 T HA 0.384 4.782 4.350 0.079 0.000 0.300 86 T C -2.296 172.499 174.700 0.159 0.000 1.210 86 T CA -0.631 61.550 62.100 0.136 0.000 1.034 86 T CB 1.456 70.440 68.868 0.194 0.000 1.537 86 T HN 0.106 nan 8.240 nan 0.000 0.492 87 H N -0.473 118.666 119.070 0.114 0.000 2.609 87 H HA 0.485 5.090 4.556 0.081 0.000 0.344 87 H C 1.165 176.613 175.328 0.199 0.000 1.040 87 H CA 0.247 56.361 56.048 0.109 0.000 1.216 87 H CB 1.638 31.440 29.762 0.067 0.000 1.529 87 H HN 0.827 nan 8.280 nan 0.000 0.519 88 G N 2.686 111.792 108.800 0.511 0.000 2.498 88 G HA2 -0.203 3.805 3.960 0.079 0.000 0.219 88 G HA3 -0.203 3.805 3.960 0.079 0.000 0.219 88 G C 1.461 176.681 174.900 0.533 0.000 1.119 88 G CA 0.632 46.053 45.100 0.536 0.000 0.766 88 G HN 0.666 nan 8.290 nan 0.000 0.552 89 A N 0.780 123.817 122.820 0.362 0.000 2.076 89 A HA -0.026 4.342 4.320 0.079 0.000 0.220 89 A C 2.254 179.871 177.584 0.054 0.000 1.160 89 A CA 1.061 53.131 52.037 0.055 0.000 0.653 89 A CB -0.231 18.507 19.000 -0.437 0.000 0.801 89 A HN 0.398 nan 8.150 nan 0.000 0.455 90 R N -0.878 119.640 120.500 0.030 0.000 2.356 90 R HA 0.139 4.526 4.340 0.079 0.000 0.234 90 R C 0.032 176.085 176.300 -0.412 0.000 0.929 90 R CA 0.241 56.235 56.100 -0.177 0.000 1.084 90 R CB 0.024 30.184 30.300 -0.234 0.000 1.105 90 R HN 0.608 nan 8.270 nan 0.000 0.515 91 H N -1.337 117.818 119.070 0.143 0.000 3.007 91 H HA 0.121 4.725 4.556 0.081 0.000 0.251 91 H C 1.365 176.668 175.328 -0.042 0.000 1.188 91 H CA -0.099 55.983 56.048 0.057 0.000 1.017 91 H CB 0.821 30.631 29.762 0.080 0.000 1.805 91 H HN -0.074 nan 8.280 nan 0.000 0.659 92 V N 0.627 120.636 119.914 0.157 0.000 2.287 92 V HA -0.218 3.950 4.120 0.079 0.000 0.248 92 V C 2.678 178.763 176.094 -0.016 0.000 1.053 92 V CA 2.315 64.682 62.300 0.113 0.000 1.027 92 V CB -0.714 31.209 31.823 0.165 0.000 0.646 92 V HN 0.555 nan 8.190 nan 0.000 0.447 93 G N -0.237 108.554 108.800 -0.014 0.000 2.553 93 G HA2 -0.412 3.595 3.960 0.079 0.000 0.218 93 G HA3 -0.412 3.595 3.960 0.079 0.000 0.218 93 G C 1.332 176.200 174.900 -0.054 0.000 1.195 93 G CA 1.407 46.490 45.100 -0.028 0.000 0.779 93 G HN 0.566 nan 8.290 nan 0.000 0.577 94 D N 0.685 121.048 120.400 -0.062 0.000 2.123 94 D HA -0.005 4.683 4.640 0.079 0.000 0.196 94 D C 2.722 178.926 176.300 -0.160 0.000 0.992 94 D CA 1.682 55.633 54.000 -0.082 0.000 0.833 94 D CB -0.478 40.298 40.800 -0.040 0.000 0.954 94 D HN 0.266 nan 8.370 nan 0.000 0.455 95 A N 0.160 122.798 122.820 -0.304 0.000 1.877 95 A HA -0.126 4.242 4.320 0.079 0.000 0.216 95 A C 2.516 179.990 177.584 -0.184 0.000 1.186 95 A CA 1.419 53.210 52.037 -0.409 0.000 0.620 95 A CB -0.884 17.577 19.000 -0.898 0.000 0.822 95 A HN 0.380 nan 8.150 nan 0.000 0.443 96 I N -0.196 120.307 120.570 -0.112 0.000 2.163 96 I HA -0.300 3.918 4.170 0.079 0.000 0.243 96 I C 2.896 178.988 176.117 -0.042 0.000 1.085 96 I CA 1.181 62.455 61.300 -0.043 0.000 1.347 96 I CB -0.277 37.715 38.000 -0.015 0.000 1.044 96 I HN 0.358 nan 8.210 nan 0.000 0.408 97 A N 0.412 123.201 122.820 -0.051 0.000 2.067 97 A HA -0.129 4.238 4.320 0.079 0.000 0.219 97 A C 2.178 179.738 177.584 -0.040 0.000 1.158 97 A CA 1.128 53.142 52.037 -0.038 0.000 0.661 97 A CB -0.489 18.491 19.000 -0.034 0.000 0.801 97 A HN 0.355 nan 8.150 nan 0.000 0.452 98 R N -1.192 119.274 120.500 -0.057 0.000 2.320 98 R HA 0.216 4.604 4.340 0.079 0.000 0.211 98 R C 1.034 177.313 176.300 -0.034 0.000 0.931 98 R CA 0.491 56.561 56.100 -0.049 0.000 1.071 98 R CB -0.101 30.158 30.300 -0.069 0.000 1.025 98 R HN 0.640 nan 8.270 nan 0.000 0.495 99 G N 0.480 109.263 108.800 -0.028 0.000 2.132 99 G HA2 -0.293 3.715 3.960 0.079 0.000 0.228 99 G HA3 -0.293 3.715 3.960 0.079 0.000 0.228 99 G C 0.208 175.106 174.900 -0.004 0.000 1.000 99 G CA -0.085 45.007 45.100 -0.013 0.000 0.693 99 G HN 0.483 nan 8.290 nan 0.000 0.515 100 A N -0.195 122.621 122.820 -0.007 0.000 2.540 100 A HA 0.558 4.926 4.320 0.079 0.000 0.239 100 A C 1.669 179.271 177.584 0.030 0.000 1.061 100 A CA 0.893 52.944 52.037 0.023 0.000 0.758 100 A CB 0.568 19.589 19.000 0.036 0.000 0.991 100 A HN 1.685 nan 8.150 nan 0.000 0.502 101 V N -0.743 119.191 119.914 0.035 0.000 3.621 101 V HA 0.622 4.790 4.120 0.079 0.000 0.285 101 V C 0.532 176.647 176.094 0.034 0.000 1.346 101 V CA 0.661 62.976 62.300 0.025 0.000 1.104 101 V CB -1.449 30.381 31.823 0.011 0.000 0.913 101 V HN 2.013 nan 8.190 nan 0.000 0.432 102 A N -0.796 122.059 122.820 0.058 0.000 2.581 102 A HA 0.709 5.077 4.320 0.079 0.000 0.294 102 A C -1.323 176.323 177.584 0.103 0.000 1.035 102 A CA -0.245 51.829 52.037 0.062 0.000 0.684 102 A CB 1.317 20.338 19.000 0.036 0.000 1.282 102 A HN 0.463 nan 8.150 nan 0.000 0.417 103 V N 2.002 121.974 119.914 0.096 0.000 2.680 103 V HA 0.673 4.841 4.120 0.079 0.000 0.309 103 V C -0.593 175.523 176.094 0.037 0.000 1.052 103 V CA -0.689 61.678 62.300 0.112 0.000 0.908 103 V CB 1.882 33.795 31.823 0.150 0.000 1.001 103 V HN 0.858 nan 8.190 nan 0.000 0.431 104 L N 3.950 125.161 121.223 -0.019 0.000 2.342 104 L HA 0.736 5.124 4.340 0.079 0.000 0.276 104 L C -0.577 176.270 176.870 -0.039 0.000 0.997 104 L CA 0.395 55.222 54.840 -0.023 0.000 0.838 104 L CB 1.441 43.473 42.059 -0.045 0.000 1.224 104 L HN 0.877 nan 8.230 nan 0.000 0.416 105 T N 1.978 116.540 114.554 0.014 0.000 2.812 105 T HA 0.496 4.893 4.350 0.079 0.000 0.294 105 T C -1.060 173.688 174.700 0.080 0.000 1.159 105 T CA -0.474 61.652 62.100 0.043 0.000 1.008 105 T CB 1.655 70.555 68.868 0.054 0.000 1.289 105 T HN 0.731 nan 8.240 nan 0.000 0.514 106 D N 1.059 121.529 120.400 0.117 0.000 2.451 106 D HA 0.396 5.084 4.640 0.079 0.000 0.259 106 D C -1.944 174.407 176.300 0.085 0.000 1.201 106 D CA -1.659 52.404 54.000 0.104 0.000 1.028 106 D CB -0.083 40.781 40.800 0.107 0.000 1.095 106 D HN 0.173 nan 8.370 nan 0.000 0.539 107 P HA -0.018 nan 4.420 nan 0.000 0.221 107 P C 1.093 178.419 177.300 0.043 0.000 1.150 107 P CA 1.526 64.648 63.100 0.037 0.000 0.800 107 P CB -0.070 31.642 31.700 0.020 0.000 0.787 108 A N -0.080 122.792 122.820 0.087 0.000 2.019 108 A HA -0.049 4.319 4.320 0.079 0.000 0.219 108 A C 2.372 179.959 177.584 0.005 0.000 1.164 108 A CA 1.938 54.033 52.037 0.098 0.000 0.644 108 A CB -1.735 17.381 19.000 0.193 0.000 0.805 108 A HN 0.288 nan 8.150 nan 0.000 0.449 109 G N -0.096 108.713 108.800 0.015 0.000 2.404 109 G HA2 -0.064 3.944 3.960 0.079 0.000 0.213 109 G HA3 -0.064 3.944 3.960 0.079 0.000 0.213 109 G C 1.609 176.426 174.900 -0.139 0.000 1.189 109 G CA 1.589 46.542 45.100 -0.245 0.000 0.796 109 G HN 0.920 nan 8.290 nan 0.000 0.532 110 V N -0.400 119.489 119.914 -0.042 0.000 2.568 110 V HA -0.030 4.138 4.120 0.079 0.000 0.253 110 V C 2.904 178.976 176.094 -0.036 0.000 1.072 110 V CA 1.968 64.252 62.300 -0.027 0.000 1.084 110 V CB -1.170 30.651 31.823 -0.002 0.000 0.676 110 V HN 0.406 nan 8.190 nan 0.000 0.469 111 A N 0.166 122.961 122.820 -0.041 0.000 1.877 111 A HA -0.159 4.208 4.320 0.079 0.000 0.216 111 A C 2.230 179.782 177.584 -0.055 0.000 1.186 111 A CA 1.799 53.814 52.037 -0.036 0.000 0.620 111 A CB -0.558 18.427 19.000 -0.025 0.000 0.822 111 A HN 0.587 nan 8.150 nan 0.000 0.443 112 E N 0.052 120.192 120.200 -0.101 0.000 2.017 112 E HA -0.178 4.220 4.350 0.079 0.000 0.193 112 E C 2.040 178.595 176.600 -0.076 0.000 0.997 112 E CA 1.310 57.643 56.400 -0.112 0.000 0.804 112 E CB -0.553 29.022 29.700 -0.208 0.000 0.757 112 E HN 0.700 nan 8.360 nan 0.000 0.448 113 I N 1.216 121.745 120.570 -0.068 0.000 2.185 113 I HA -0.364 3.854 4.170 0.079 0.000 0.246 113 I C 1.763 177.866 176.117 -0.024 0.000 1.088 113 I CA 0.985 62.266 61.300 -0.031 0.000 1.347 113 I CB -0.526 37.468 38.000 -0.011 0.000 1.041 113 I HN 0.104 nan 8.210 nan 0.000 0.415 114 A N 0.157 122.962 122.820 -0.025 0.000 5.483 114 A HA -0.263 4.104 4.320 0.079 0.000 0.309 114 A C 1.039 178.618 177.584 -0.009 0.000 1.898 114 A CA 1.038 53.065 52.037 -0.016 0.000 0.716 114 A CB -2.193 16.798 19.000 -0.016 0.000 1.309 114 A HN 0.543 nan 8.150 nan 0.000 0.380 115 G N -0.771 108.025 108.800 -0.007 0.000 2.684 115 G HA2 0.546 4.553 3.960 0.079 0.000 0.255 115 G HA3 0.546 4.553 3.960 0.079 0.000 0.255 115 G C 0.580 175.479 174.900 -0.001 0.000 1.219 115 G CA 1.285 46.383 45.100 -0.003 0.000 0.901 115 G HN 2.426 nan 8.290 nan 0.000 0.548 116 R N -1.784 118.718 120.500 0.002 0.000 2.958 116 R HA 0.037 4.424 4.340 0.079 0.000 0.277 116 R C -0.649 175.655 176.300 0.007 0.000 0.940 116 R CA 0.618 56.720 56.100 0.003 0.000 0.664 116 R CB -2.298 28.002 30.300 0.000 0.000 1.551 116 R HN 1.651 nan 8.270 nan 0.000 0.455 117 A N 1.556 124.384 122.820 0.013 0.000 2.340 117 A HA 0.832 5.200 4.320 0.079 0.000 0.331 117 A C 1.264 178.857 177.584 0.016 0.000 1.140 117 A CA -0.114 51.934 52.037 0.018 0.000 0.801 117 A CB 1.622 20.641 19.000 0.033 0.000 1.234 117 A HN 0.966 nan 8.150 nan 0.000 0.469 118 A N 1.382 124.209 122.820 0.013 0.000 1.933 118 A HA 0.219 4.586 4.320 0.079 0.000 0.218 118 A C 1.239 178.832 177.584 0.015 0.000 1.175 118 A CA 1.847 53.890 52.037 0.011 0.000 0.628 118 A CB -1.242 17.763 19.000 0.007 0.000 0.814 118 A HN 1.888 nan 8.150 nan 0.000 0.444 119 V N -3.872 116.055 119.914 0.022 0.000 3.036 119 V HA 0.502 4.670 4.120 0.079 0.000 0.308 119 V C -2.786 173.325 176.094 0.029 0.000 1.070 119 V CA -2.693 59.623 62.300 0.026 0.000 1.056 119 V CB 0.158 32.003 31.823 0.036 0.000 1.084 119 V HN 0.110 nan 8.190 nan 0.000 0.471 120 P HA 0.227 nan 4.420 nan 0.000 0.266 120 P C -0.757 176.564 177.300 0.035 0.000 1.195 120 P CA 0.132 63.248 63.100 0.027 0.000 0.768 120 P CB 0.599 32.311 31.700 0.021 0.000 0.838 121 V N 5.195 125.128 119.914 0.032 0.000 2.284 121 V HA 0.163 4.331 4.120 0.079 0.000 0.274 121 V C 0.098 176.211 176.094 0.032 0.000 1.023 121 V CA -0.589 61.733 62.300 0.036 0.000 0.808 121 V CB 0.696 32.539 31.823 0.034 0.000 1.035 121 V HN 0.358 nan 8.190 nan 0.000 0.445 122 L N 5.487 126.730 121.223 0.033 0.000 2.380 122 L HA 0.417 4.804 4.340 0.079 0.000 0.273 122 L C 0.035 176.935 176.870 0.049 0.000 1.138 122 L CA 0.529 55.391 54.840 0.037 0.000 0.832 122 L CB 1.411 43.488 42.059 0.029 0.000 1.124 122 L HN 0.394 nan 8.230 nan 0.000 0.454 123 V N 2.982 122.933 119.914 0.063 0.000 2.487 123 V HA 0.453 4.621 4.120 0.079 0.000 0.298 123 V C -0.383 175.783 176.094 0.120 0.000 1.028 123 V CA -0.734 61.609 62.300 0.072 0.000 0.860 123 V CB 1.418 33.265 31.823 0.040 0.000 0.991 123 V HN 0.672 nan 8.190 nan 0.000 0.427 124 H N 5.112 124.187 119.070 0.008 0.000 2.690 124 H HA 0.529 5.133 4.556 0.080 0.000 0.368 124 H C -2.723 172.612 175.328 0.011 0.000 1.150 124 H CA -2.020 54.032 56.048 0.007 0.000 1.174 124 H CB 3.414 33.178 29.762 0.002 0.000 1.684 124 H HN 0.425 nan 8.280 nan 0.000 0.538 125 P HA 0.109 nan 4.420 nan 0.000 0.274 125 P C -0.643 176.690 177.300 0.054 0.000 1.246 125 P CA 0.069 63.102 63.100 -0.112 0.000 0.795 125 P CB 0.344 31.943 31.700 -0.169 0.000 1.006 126 A N 1.482 124.353 122.820 0.086 0.000 2.261 126 A HA -0.156 4.212 4.320 0.079 0.000 0.282 126 A C -1.431 176.298 177.584 0.242 0.000 1.403 126 A CA 0.364 52.483 52.037 0.137 0.000 0.753 126 A CB -2.450 16.618 19.000 0.114 0.000 1.125 126 A HN 0.427 nan 8.150 nan 0.000 0.358 127 P HA -0.147 nan 4.420 nan 0.000 0.214 127 P C 1.613 178.911 177.300 -0.003 0.000 1.162 127 P CA 1.224 64.359 63.100 0.059 0.000 0.874 127 P CB -0.036 31.681 31.700 0.029 0.000 0.784 128 R N 0.246 120.748 120.500 0.003 0.000 2.204 128 R HA -0.145 4.243 4.340 0.079 0.000 0.253 128 R C 1.789 178.098 176.300 0.014 0.000 1.172 128 R CA 1.997 58.097 56.100 0.001 0.000 0.994 128 R CB -1.253 29.052 30.300 0.009 0.000 0.874 128 R HN 0.182 nan 8.270 nan 0.000 0.462 129 G N -1.018 107.799 108.800 0.029 0.000 3.314 129 G HA2 0.153 4.161 3.960 0.079 0.000 0.238 129 G HA3 0.153 4.161 3.960 0.079 0.000 0.238 129 G C 0.585 175.491 174.900 0.009 0.000 1.184 129 G CA 0.149 45.271 45.100 0.036 0.000 0.806 129 G HN 0.268 nan 8.290 nan 0.000 0.536 130 V N -0.731 119.157 119.914 -0.043 0.000 3.523 130 V HA 0.149 4.317 4.120 0.079 0.000 0.273 130 V C 1.835 177.874 176.094 -0.091 0.000 1.675 130 V CA 0.009 62.248 62.300 -0.100 0.000 1.079 130 V CB 0.248 31.904 31.823 -0.278 0.000 0.901 130 V HN 0.204 nan 8.190 nan 0.000 0.406 131 L N 1.792 122.976 121.223 -0.066 0.000 2.043 131 L HA 0.004 4.391 4.340 0.079 0.000 0.212 131 L C 2.243 179.105 176.870 -0.014 0.000 1.075 131 L CA 3.003 57.818 54.840 -0.043 0.000 0.752 131 L CB -1.236 40.805 42.059 -0.029 0.000 0.891 131 L HN 0.348 nan 8.230 nan 0.000 0.432 132 G N -1.268 107.533 108.800 0.001 0.000 2.480 132 G HA2 -0.254 3.754 3.960 0.079 0.000 0.216 132 G HA3 -0.254 3.754 3.960 0.079 0.000 0.216 132 G C 1.541 176.451 174.900 0.018 0.000 1.200 132 G CA 0.682 45.793 45.100 0.019 0.000 0.782 132 G HN 0.587 nan 8.290 nan 0.000 0.554 133 G N 0.439 109.247 108.800 0.013 0.000 2.432 133 G HA2 -0.112 3.896 3.960 0.079 0.000 0.219 133 G HA3 -0.112 3.896 3.960 0.079 0.000 0.219 133 G C 1.807 176.703 174.900 -0.006 0.000 1.135 133 G CA 0.681 45.796 45.100 0.025 0.000 0.767 133 G HN 0.415 nan 8.290 nan 0.000 0.550 134 L N 0.416 121.618 121.223 -0.034 0.000 2.005 134 L HA -0.048 4.340 4.340 0.079 0.000 0.207 134 L C 3.437 180.263 176.870 -0.072 0.000 1.072 134 L CA 1.109 55.913 54.840 -0.060 0.000 0.744 134 L CB -0.478 41.538 42.059 -0.070 0.000 0.895 134 L HN 0.315 nan 8.230 nan 0.000 0.433 135 A N -0.023 122.784 122.820 -0.021 0.000 1.908 135 A HA -0.228 4.140 4.320 0.079 0.000 0.218 135 A C 2.484 180.105 177.584 0.061 0.000 1.181 135 A CA 1.861 53.929 52.037 0.051 0.000 0.627 135 A CB -0.734 18.355 19.000 0.148 0.000 0.818 135 A HN 0.451 nan 8.150 nan 0.000 0.445 136 A N -1.286 121.531 122.820 -0.004 0.000 1.933 136 A HA -0.092 4.276 4.320 0.079 0.000 0.218 136 A C 2.313 179.656 177.584 -0.403 0.000 1.175 136 A CA 2.330 54.319 52.037 -0.079 0.000 0.628 136 A CB -1.165 17.837 19.000 0.005 0.000 0.814 136 A HN 0.433 nan 8.150 nan 0.000 0.444 137 T N -0.649 113.665 114.554 -0.400 0.000 2.737 137 T HA -0.114 4.284 4.350 0.079 0.000 0.265 137 T C 1.974 176.472 174.700 -0.337 0.000 1.038 137 T CA 1.753 63.561 62.100 -0.488 0.000 1.144 137 T CB -0.549 68.204 68.868 -0.191 0.000 0.866 137 T HN 0.554 nan 8.240 nan 0.000 0.434 138 V N -0.127 119.607 119.914 -0.301 0.000 2.759 138 V HA -0.084 4.084 4.120 0.079 0.000 0.256 138 V C 1.391 177.231 176.094 -0.423 0.000 1.080 138 V CA 1.387 63.463 62.300 -0.374 0.000 1.101 138 V CB -0.833 30.725 31.823 -0.441 0.000 0.698 138 V HN 0.565 nan 8.190 nan 0.000 0.477 139 Y N 1.390 121.602 120.300 -0.147 0.000 2.485 139 Y HA 0.581 5.180 4.550 0.082 0.000 0.260 139 Y C 1.840 177.666 175.900 -0.124 0.000 1.173 139 Y CA -0.274 57.761 58.100 -0.110 0.000 1.252 139 Y CB -0.028 38.379 38.460 -0.089 0.000 1.123 139 Y HN 0.400 nan 8.280 nan 0.000 0.524 140 G N 0.663 109.399 108.800 -0.107 0.000 2.198 140 G HA2 -0.309 3.699 3.960 0.079 0.000 0.257 140 G HA3 -0.309 3.699 3.960 0.079 0.000 0.257 140 G C -0.165 174.736 174.900 0.002 0.000 1.042 140 G CA 0.346 45.400 45.100 -0.076 0.000 0.791 140 G HN 0.647 nan 8.290 nan 0.000 0.502 141 H N -2.695 116.394 119.070 0.033 0.000 2.819 141 H HA -0.148 4.455 4.556 0.078 0.000 0.315 141 H C -0.436 174.886 175.328 -0.009 0.000 1.242 141 H CA 1.108 57.159 56.048 0.006 0.000 1.157 141 H CB -1.657 28.101 29.762 -0.007 0.000 1.451 141 H HN 0.555 nan 8.280 nan 0.000 0.430 142 P HA -0.170 nan 4.420 nan 0.000 0.217 142 P C 1.499 178.792 177.300 -0.012 0.000 1.148 142 P CA 1.924 65.034 63.100 0.016 0.000 0.828 142 P CB 0.012 31.701 31.700 -0.018 0.000 0.783 143 S N -0.084 115.600 115.700 -0.027 0.000 2.474 143 S HA -0.073 4.445 4.470 0.079 0.000 0.235 143 S C 1.585 176.149 174.600 -0.059 0.000 0.997 143 S CA 0.630 58.781 58.200 -0.083 0.000 0.949 143 S CB -0.795 62.314 63.200 -0.151 0.000 0.766 143 S HN 0.276 nan 8.310 nan 0.000 0.517 144 E N 1.168 121.359 120.200 -0.016 0.000 2.502 144 E HA 0.052 4.450 4.350 0.079 0.000 0.194 144 E C 1.211 177.802 176.600 -0.015 0.000 1.062 144 E CA 0.209 56.597 56.400 -0.019 0.000 0.867 144 E CB 0.058 29.752 29.700 -0.009 0.000 0.888 144 E HN 0.610 nan 8.360 nan 0.000 0.510 145 R N -0.122 120.370 120.500 -0.014 0.000 2.509 145 R HA 0.319 4.707 4.340 0.079 0.000 0.297 145 R C 0.576 176.862 176.300 -0.024 0.000 0.951 145 R CA 0.016 56.108 56.100 -0.013 0.000 1.103 145 R CB 1.084 31.382 30.300 -0.004 0.000 1.283 145 R HN -0.005 nan 8.270 nan 0.000 0.534 146 L N 1.061 122.262 121.223 -0.037 0.000 2.354 146 L HA 0.400 4.788 4.340 0.079 0.000 0.269 146 L C -0.283 176.557 176.870 -0.050 0.000 1.005 146 L CA -0.701 54.111 54.840 -0.045 0.000 0.819 146 L CB 2.592 44.614 42.059 -0.061 0.000 1.311 146 L HN -0.184 nan 8.230 nan 0.000 0.423 147 T N 2.280 116.811 114.554 -0.039 0.000 2.739 147 T HA 0.283 4.681 4.350 0.079 0.000 0.298 147 T C -0.117 174.560 174.700 -0.039 0.000 0.929 147 T CA -0.201 61.881 62.100 -0.031 0.000 1.014 147 T CB 0.442 69.301 68.868 -0.015 0.000 0.914 147 T HN 0.140 nan 8.240 nan 0.000 0.509 148 V N 6.251 126.129 119.914 -0.060 0.000 2.370 148 V HA 0.445 4.613 4.120 0.079 0.000 0.279 148 V C 0.135 176.256 176.094 0.045 0.000 1.029 148 V CA -0.696 61.559 62.300 -0.075 0.000 0.870 148 V CB 1.113 32.786 31.823 -0.249 0.000 0.984 148 V HN 0.754 nan 8.190 nan 0.000 0.451 149 I N 4.047 124.669 120.570 0.086 0.000 2.378 149 I HA 0.641 4.859 4.170 0.079 0.000 0.291 149 I C 0.663 176.903 176.117 0.206 0.000 0.992 149 I CA -0.147 61.236 61.300 0.140 0.000 1.154 149 I CB 1.857 39.893 38.000 0.060 0.000 1.315 149 I HN 0.694 nan 8.210 nan 0.000 0.448 150 G N 7.204 116.146 108.800 0.237 0.000 2.487 150 G HA2 0.724 4.731 3.960 0.079 0.000 0.314 150 G HA3 0.724 4.731 3.960 0.079 0.000 0.314 150 G C -0.803 174.078 174.900 -0.031 0.000 1.267 150 G CA -0.367 44.802 45.100 0.115 0.000 0.937 150 G HN 0.480 nan 8.290 nan 0.000 0.481 151 I N 2.110 122.683 120.570 0.005 0.000 2.355 151 I HA 0.339 4.556 4.170 0.079 0.000 0.288 151 I C 0.507 176.622 176.117 -0.003 0.000 0.999 151 I CA -0.467 60.840 61.300 0.011 0.000 1.163 151 I CB 2.057 40.066 38.000 0.015 0.000 1.316 151 I HN 0.395 nan 8.210 nan 0.000 0.454 152 T N 3.999 118.567 114.554 0.024 0.000 2.937 152 T HA 0.912 5.310 4.350 0.079 0.000 0.283 152 T C -0.266 174.348 174.700 -0.143 0.000 1.012 152 T CA -0.152 61.947 62.100 -0.002 0.000 0.997 152 T CB 1.683 70.592 68.868 0.069 0.000 1.136 152 T HN 0.986 nan 8.240 nan 0.000 0.551 153 G N 0.606 109.291 108.800 -0.192 0.000 2.316 153 G HA2 0.124 4.132 3.960 0.079 0.000 0.468 153 G HA3 0.124 4.132 3.960 0.079 0.000 0.468 153 G C 0.492 175.295 174.900 -0.163 0.000 1.523 153 G CA 0.123 44.970 45.100 -0.421 0.000 0.972 153 G HN 0.701 nan 8.290 nan 0.000 0.667 154 T N 0.509 114.988 114.554 -0.125 0.000 2.635 154 T HA 0.067 4.465 4.350 0.079 0.000 0.267 154 T C 1.310 176.037 174.700 0.045 0.000 1.040 154 T CA 2.068 64.219 62.100 0.086 0.000 1.156 154 T CB -0.210 68.736 68.868 0.130 0.000 0.863 154 T HN 0.763 nan 8.240 nan 0.000 0.430 155 S N -1.531 114.130 115.700 -0.066 0.000 2.568 155 S HA 0.560 5.078 4.470 0.079 0.000 0.293 155 S C 0.853 175.374 174.600 -0.132 0.000 1.089 155 S CA -0.203 57.944 58.200 -0.087 0.000 0.945 155 S CB 1.994 65.100 63.200 -0.157 0.000 1.077 155 S HN 0.650 nan 8.310 nan 0.000 0.485 156 G N 1.443 110.184 108.800 -0.098 0.000 2.179 156 G HA2 -0.228 3.780 3.960 0.079 0.000 0.220 156 G HA3 -0.228 3.780 3.960 0.079 0.000 0.220 156 G C 0.725 175.597 174.900 -0.047 0.000 0.990 156 G CA 0.381 45.430 45.100 -0.085 0.000 0.646 156 G HN 0.596 nan 8.290 nan 0.000 0.517 157 K N 0.008 120.385 120.400 -0.037 0.000 2.026 157 K HA -0.045 4.322 4.320 0.079 0.000 0.208 157 K C 2.586 179.195 176.600 0.015 0.000 1.048 157 K CA 1.860 58.139 56.287 -0.014 0.000 0.929 157 K CB -0.397 32.102 32.500 -0.001 0.000 0.713 157 K HN 0.351 nan 8.250 nan 0.000 0.439 158 T N 0.844 115.402 114.554 0.007 0.000 2.708 158 T HA -0.140 4.258 4.350 0.079 0.000 0.266 158 T C 2.010 176.749 174.700 0.065 0.000 1.037 158 T CA 1.923 64.033 62.100 0.016 0.000 1.146 158 T CB -0.432 68.379 68.868 -0.095 0.000 0.865 158 T HN 0.284 nan 8.240 nan 0.000 0.435 159 T N 1.846 116.406 114.554 0.011 0.000 2.674 159 T HA -0.113 4.284 4.350 0.079 0.000 0.265 159 T C 2.308 177.057 174.700 0.082 0.000 1.039 159 T CA 1.692 63.812 62.100 0.033 0.000 1.150 159 T CB -0.852 68.029 68.868 0.021 0.000 0.864 159 T HN 0.372 nan 8.240 nan 0.000 0.427 160 T N 2.160 116.742 114.554 0.047 0.000 2.778 160 T HA -0.158 4.239 4.350 0.079 0.000 0.269 160 T C 2.403 177.131 174.700 0.046 0.000 1.050 160 T CA 1.834 63.956 62.100 0.036 0.000 1.137 160 T CB -0.702 68.168 68.868 0.003 0.000 0.860 160 T HN 0.735 nan 8.240 nan 0.000 0.468 161 T N -0.713 113.883 114.554 0.070 0.000 2.857 161 T HA -0.065 4.333 4.350 0.079 0.000 0.266 161 T C 1.734 176.441 174.700 0.011 0.000 1.048 161 T CA 0.728 62.849 62.100 0.036 0.000 1.139 161 T CB -0.753 68.134 68.868 0.032 0.000 0.874 161 T HN 0.432 nan 8.240 nan 0.000 0.455 162 Y N 1.431 121.714 120.300 -0.029 0.000 2.242 162 Y HA 0.137 4.721 4.550 0.058 0.000 0.291 162 Y C 2.363 178.253 175.900 -0.017 0.000 1.137 162 Y CA 0.852 58.937 58.100 -0.025 0.000 1.181 162 Y CB -0.290 38.152 38.460 -0.029 0.000 0.989 162 Y HN 0.158 nan 8.280 nan 0.000 0.527 163 L N -1.602 119.692 121.223 0.118 0.000 2.044 163 L HA -0.195 4.193 4.340 0.079 0.000 0.205 163 L C 2.269 179.145 176.870 0.009 0.000 1.075 163 L CA 0.678 55.554 54.840 0.061 0.000 0.747 163 L CB -0.825 41.267 42.059 0.055 0.000 0.903 163 L HN 0.004 nan 8.230 nan 0.000 0.435 164 V N -0.164 119.744 119.914 -0.009 0.000 2.287 164 V HA -0.303 3.865 4.120 0.079 0.000 0.248 164 V C 2.616 178.680 176.094 -0.050 0.000 1.053 164 V CA 1.943 64.222 62.300 -0.035 0.000 1.027 164 V CB -0.527 31.276 31.823 -0.034 0.000 0.646 164 V HN 0.497 nan 8.190 nan 0.000 0.447 165 E N 0.065 120.217 120.200 -0.080 0.000 2.153 165 E HA -0.202 4.195 4.350 0.079 0.000 0.194 165 E C 2.189 178.741 176.600 -0.080 0.000 0.988 165 E CA 1.486 57.816 56.400 -0.116 0.000 0.811 165 E CB -0.037 29.521 29.700 -0.236 0.000 0.746 165 E HN 0.573 nan 8.360 nan 0.000 0.466 166 A N 0.299 123.091 122.820 -0.046 0.000 1.975 166 A HA 0.070 4.437 4.320 0.079 0.000 0.215 166 A C 2.353 179.929 177.584 -0.014 0.000 1.170 166 A CA 1.253 53.280 52.037 -0.015 0.000 0.656 166 A CB -0.655 18.359 19.000 0.022 0.000 0.821 166 A HN 0.359 nan 8.150 nan 0.000 0.449 167 G N 0.244 109.033 108.800 -0.018 0.000 2.453 167 G HA2 -0.143 3.865 3.960 0.079 0.000 0.215 167 G HA3 -0.143 3.865 3.960 0.079 0.000 0.215 167 G C 1.384 176.271 174.900 -0.023 0.000 1.201 167 G CA 1.156 46.244 45.100 -0.021 0.000 0.784 167 G HN 0.300 nan 8.290 nan 0.000 0.545 168 L N 0.592 121.797 121.223 -0.030 0.000 2.021 168 L HA -0.104 4.284 4.340 0.079 0.000 0.215 168 L C 2.811 179.666 176.870 -0.026 0.000 1.074 168 L CA 1.973 56.795 54.840 -0.030 0.000 0.760 168 L CB -0.908 41.127 42.059 -0.040 0.000 0.889 168 L HN 0.247 nan 8.230 nan 0.000 0.433 169 R N -1.347 119.135 120.500 -0.029 0.000 2.090 169 R HA -0.040 4.347 4.340 0.079 0.000 0.228 169 R C 2.215 178.507 176.300 -0.014 0.000 1.110 169 R CA 1.055 57.141 56.100 -0.023 0.000 0.973 169 R CB -0.216 30.068 30.300 -0.027 0.000 0.869 169 R HN 0.371 nan 8.270 nan 0.000 0.440 170 A N 0.419 123.233 122.820 -0.010 0.000 1.978 170 A HA -0.094 4.274 4.320 0.079 0.000 0.220 170 A C 1.993 179.575 177.584 -0.003 0.000 1.170 170 A CA 1.710 53.745 52.037 -0.004 0.000 0.636 170 A CB -0.537 18.462 19.000 -0.001 0.000 0.810 170 A HN 0.444 nan 8.150 nan 0.000 0.448 171 A N -1.273 121.544 122.820 -0.006 0.000 2.370 171 A HA 0.448 4.816 4.320 0.079 0.000 0.238 171 A C 1.463 179.045 177.584 -0.004 0.000 1.289 171 A CA 0.845 52.880 52.037 -0.003 0.000 0.885 171 A CB -1.244 17.754 19.000 -0.003 0.000 0.961 171 A HN 1.897 nan 8.150 nan 0.000 0.499 172 G N 0.391 109.187 108.800 -0.007 0.000 2.314 172 G HA2 -0.230 3.778 3.960 0.079 0.000 0.292 172 G HA3 -0.230 3.778 3.960 0.079 0.000 0.292 172 G C -0.076 174.818 174.900 -0.010 0.000 1.059 172 G CA 0.103 45.198 45.100 -0.008 0.000 0.982 172 G HN 0.533 nan 8.290 nan 0.000 0.505 173 R N -0.605 119.887 120.500 -0.014 0.000 2.562 173 R HA 0.501 4.889 4.340 0.079 0.000 0.298 173 R C 0.129 176.416 176.300 -0.023 0.000 0.961 173 R CA -0.900 55.190 56.100 -0.017 0.000 0.881 173 R CB 2.040 32.329 30.300 -0.018 0.000 1.159 173 R HN 0.122 nan 8.270 nan 0.000 0.450 174 V N 2.237 122.137 119.914 -0.023 0.000 2.521 174 V HA 0.321 4.489 4.120 0.079 0.000 0.286 174 V C 0.446 176.519 176.094 -0.035 0.000 1.034 174 V CA -0.103 62.181 62.300 -0.028 0.000 1.045 174 V CB 0.845 32.654 31.823 -0.025 0.000 0.974 174 V HN 0.874 nan 8.190 nan 0.000 0.480 175 A N 4.184 126.977 122.820 -0.045 0.000 2.393 175 A HA 0.853 5.220 4.320 0.079 0.000 0.306 175 A C 0.097 177.641 177.584 -0.065 0.000 1.050 175 A CA -0.136 51.868 52.037 -0.055 0.000 0.724 175 A CB 1.683 20.645 19.000 -0.064 0.000 1.248 175 A HN 0.992 nan 8.150 nan 0.000 0.424 176 G N 0.317 109.078 108.800 -0.066 0.000 2.410 176 G HA2 0.584 4.591 3.960 0.079 0.000 0.330 176 G HA3 0.584 4.591 3.960 0.079 0.000 0.330 176 G C -0.916 173.931 174.900 -0.088 0.000 1.142 176 G CA -0.471 44.586 45.100 -0.073 0.000 0.902 176 G HN 0.770 nan 8.290 nan 0.000 0.491 177 L N 0.765 121.927 121.223 -0.102 0.000 2.354 177 L HA 0.722 5.110 4.340 0.079 0.000 0.269 177 L C -0.873 175.953 176.870 -0.074 0.000 1.005 177 L CA -1.017 53.751 54.840 -0.121 0.000 0.819 177 L CB 2.158 44.086 42.059 -0.219 0.000 1.311 177 L HN 0.368 nan 8.230 nan 0.000 0.423 178 I N 2.809 123.350 120.570 -0.048 0.000 2.571 178 I HA 0.667 4.885 4.170 0.079 0.000 0.286 178 I C -0.153 175.965 176.117 0.001 0.000 1.134 178 I CA -0.322 60.965 61.300 -0.020 0.000 1.052 178 I CB 1.847 39.837 38.000 -0.016 0.000 1.237 178 I HN 0.722 nan 8.210 nan 0.000 0.435 179 G N 2.774 111.580 108.800 0.010 0.000 2.427 179 G HA2 0.227 4.234 3.960 0.079 0.000 0.306 179 G HA3 0.227 4.234 3.960 0.079 0.000 0.306 179 G C 0.205 175.109 174.900 0.007 0.000 1.280 179 G CA 0.093 45.204 45.100 0.018 0.000 0.837 179 G HN 0.374 nan 8.290 nan 0.000 0.482 180 T N 0.826 115.367 114.554 -0.022 0.000 2.607 180 T HA -0.152 4.246 4.350 0.079 0.000 0.267 180 T C 2.390 177.047 174.700 -0.072 0.000 1.049 180 T CA 1.988 64.053 62.100 -0.057 0.000 1.162 180 T CB -0.398 68.376 68.868 -0.156 0.000 0.863 180 T HN 0.387 nan 8.240 nan 0.000 0.424 181 I N 0.930 121.393 120.570 -0.178 0.000 2.335 181 I HA 0.038 4.256 4.170 0.079 0.000 0.251 181 I C 1.627 177.776 176.117 0.053 0.000 1.129 181 I CA 1.020 62.259 61.300 -0.102 0.000 1.402 181 I CB -0.649 37.267 38.000 -0.140 0.000 1.069 181 I HN 0.519 nan 8.210 nan 0.000 0.424 182 G N 0.142 108.970 108.800 0.046 0.000 2.368 182 G HA2 0.329 4.337 3.960 0.079 0.000 0.269 182 G HA3 0.329 4.337 3.960 0.079 0.000 0.269 182 G C -1.814 173.098 174.900 0.020 0.000 1.291 182 G CA -0.769 44.356 45.100 0.041 0.000 0.903 182 G HN -0.071 nan 8.290 nan 0.000 0.483 183 I N 0.463 121.037 120.570 0.007 0.000 2.498 183 I HA 0.610 4.828 4.170 0.079 0.000 0.290 183 I C 0.019 176.121 176.117 -0.024 0.000 1.032 183 I CA -0.457 60.834 61.300 -0.016 0.000 1.073 183 I CB 2.220 40.206 38.000 -0.022 0.000 1.251 183 I HN 0.415 nan 8.210 nan 0.000 0.426 184 R N 4.892 125.363 120.500 -0.047 0.000 2.337 184 R HA 0.572 4.960 4.340 0.079 0.000 0.319 184 R C -1.200 175.067 176.300 -0.056 0.000 0.954 184 R CA -0.655 55.413 56.100 -0.053 0.000 0.840 184 R CB 1.652 31.903 30.300 -0.082 0.000 1.164 184 R HN 0.319 nan 8.270 nan 0.000 0.472 185 V N 4.425 124.313 119.914 -0.043 0.000 2.267 185 V HA 0.234 4.401 4.120 0.079 0.000 0.254 185 V C 1.349 177.420 176.094 -0.039 0.000 1.144 185 V CA 0.513 62.787 62.300 -0.043 0.000 0.992 185 V CB -0.081 31.719 31.823 -0.037 0.000 1.199 185 V HN 1.143 nan 8.190 nan 0.000 0.493 186 G N 5.021 113.794 108.800 -0.045 0.000 3.099 186 G HA2 -0.342 3.666 3.960 0.079 0.000 0.331 186 G HA3 -0.342 3.666 3.960 0.079 0.000 0.331 186 G C 1.110 175.988 174.900 -0.037 0.000 1.216 186 G CA 0.812 45.888 45.100 -0.040 0.000 0.977 186 G HN 1.038 nan 8.290 nan 0.000 0.600 187 G N 0.911 109.695 108.800 -0.027 0.000 2.608 187 G HA2 0.579 4.587 3.960 0.079 0.000 0.210 187 G HA3 0.579 4.587 3.960 0.079 0.000 0.210 187 G C 1.134 176.025 174.900 -0.016 0.000 1.139 187 G CA 1.503 46.592 45.100 -0.019 0.000 0.812 187 G HN 1.858 nan 8.290 nan 0.000 0.529 188 A N 0.187 122.997 122.820 -0.018 0.000 2.521 188 A HA 0.411 4.779 4.320 0.079 0.000 0.237 188 A C 0.045 177.621 177.584 -0.014 0.000 1.087 188 A CA 0.537 52.566 52.037 -0.015 0.000 0.777 188 A CB 0.205 19.194 19.000 -0.018 0.000 1.035 188 A HN 0.143 nan 8.150 nan 0.000 0.510 189 D N 0.662 121.058 120.400 -0.007 0.000 3.220 189 D HA 0.246 4.933 4.640 0.079 0.000 0.309 189 D C -0.470 175.833 176.300 0.006 0.000 1.276 189 D CA -0.098 53.903 54.000 0.002 0.000 0.736 189 D CB 0.067 40.874 40.800 0.012 0.000 1.304 189 D HN 0.474 nan 8.370 nan 0.000 0.582 190 L N 1.030 122.252 121.223 -0.001 0.000 2.464 190 L HA 0.388 4.776 4.340 0.079 0.000 0.264 190 L C -1.978 174.897 176.870 0.009 0.000 1.199 190 L CA -1.246 53.594 54.840 0.000 0.000 0.818 190 L CB -0.039 42.015 42.059 -0.009 0.000 1.102 190 L HN -0.026 nan 8.230 nan 0.000 0.473 191 P HA 0.240 nan 4.420 nan 0.000 0.290 191 P C -1.251 176.059 177.300 0.016 0.000 1.283 191 P CA -0.711 62.402 63.100 0.021 0.000 0.869 191 P CB 1.716 33.429 31.700 0.022 0.000 1.100 192 S N 0.331 116.045 115.700 0.023 0.000 2.489 192 S HA 0.618 5.136 4.470 0.079 0.000 0.291 192 S C 1.074 175.687 174.600 0.021 0.000 1.151 192 S CA -0.279 57.931 58.200 0.016 0.000 1.082 192 S CB 1.472 64.682 63.200 0.016 0.000 1.019 192 S HN 0.470 nan 8.310 nan 0.000 0.492 193 A N 3.676 126.502 122.820 0.009 0.000 1.840 193 A HA 0.272 4.639 4.320 0.079 0.000 0.214 193 A C 0.842 178.429 177.584 0.005 0.000 1.198 193 A CA 0.649 52.690 52.037 0.007 0.000 0.608 193 A CB -0.720 18.279 19.000 -0.002 0.000 0.839 193 A HN 0.827 nan 8.150 nan 0.000 0.443 194 L N -2.406 118.814 121.223 -0.006 0.000 2.331 194 L HA 0.347 4.735 4.340 0.079 0.000 0.268 194 L C 1.445 178.314 176.870 -0.001 0.000 1.015 194 L CA -0.523 54.307 54.840 -0.017 0.000 0.807 194 L CB 1.129 43.164 42.059 -0.040 0.000 1.293 194 L HN 0.127 nan 8.230 nan 0.000 0.451 195 T N -1.169 113.385 114.554 -0.001 0.000 2.851 195 T HA -0.028 4.370 4.350 0.079 0.000 0.262 195 T C 0.467 175.175 174.700 0.012 0.000 1.043 195 T CA 1.120 63.229 62.100 0.015 0.000 1.140 195 T CB 0.008 68.895 68.868 0.032 0.000 0.872 195 T HN 0.584 nan 8.240 nan 0.000 0.446 196 T N 3.379 117.935 114.554 0.004 0.000 2.840 196 T HA 0.463 4.860 4.350 0.079 0.000 0.287 196 T C -2.797 171.903 174.700 -0.000 0.000 0.991 196 T CA -1.350 60.757 62.100 0.013 0.000 0.964 196 T CB 2.172 71.058 68.868 0.030 0.000 0.954 196 T HN -0.043 nan 8.240 nan 0.000 0.438 197 P HA 0.256 nan 4.420 nan 0.000 0.274 197 P C 0.052 177.350 177.300 -0.004 0.000 1.237 197 P CA -0.652 62.442 63.100 -0.009 0.000 0.793 197 P CB 0.569 32.259 31.700 -0.016 0.000 0.977 198 E N 0.667 120.864 120.200 -0.005 0.000 2.467 198 E HA -0.032 4.366 4.350 0.079 0.000 0.264 198 E C 1.447 178.051 176.600 0.008 0.000 1.020 198 E CA 0.239 56.641 56.400 0.004 0.000 0.945 198 E CB 0.309 30.012 29.700 0.005 0.000 0.942 198 E HN 0.460 nan 8.360 nan 0.000 0.449 199 A N 5.346 128.175 122.820 0.016 0.000 1.917 199 A HA -0.156 4.211 4.320 0.079 0.000 0.219 199 A C -0.524 177.075 177.584 0.025 0.000 1.182 199 A CA 1.527 53.576 52.037 0.020 0.000 0.633 199 A CB -1.360 17.656 19.000 0.026 0.000 0.819 199 A HN 0.444 nan 8.150 nan 0.000 0.448 200 P HA -0.095 nan 4.420 nan 0.000 0.215 200 P C 1.572 178.872 177.300 -0.000 0.000 1.157 200 P CA 1.797 64.953 63.100 0.093 0.000 0.863 200 P CB -0.356 31.417 31.700 0.121 0.000 0.787 201 T N 0.260 114.803 114.554 -0.018 0.000 2.635 201 T HA -0.190 4.208 4.350 0.079 0.000 0.267 201 T C 1.711 176.348 174.700 -0.105 0.000 1.040 201 T CA 1.348 63.408 62.100 -0.066 0.000 1.156 201 T CB -1.044 67.804 68.868 -0.035 0.000 0.863 201 T HN -0.031 nan 8.240 nan 0.000 0.430 202 L N 1.264 122.446 121.223 -0.069 0.000 1.990 202 L HA -0.143 4.245 4.340 0.079 0.000 0.213 202 L C 2.517 179.314 176.870 -0.121 0.000 1.072 202 L CA 1.831 56.626 54.840 -0.074 0.000 0.755 202 L CB -0.718 41.319 42.059 -0.036 0.000 0.889 202 L HN 0.171 nan 8.230 nan 0.000 0.432 203 Q N -0.591 119.137 119.800 -0.120 0.000 2.124 203 Q HA -0.093 4.294 4.340 0.079 0.000 0.202 203 Q C 2.290 178.063 176.000 -0.379 0.000 0.977 203 Q CA 1.666 57.384 55.803 -0.141 0.000 0.850 203 Q CB -0.693 28.058 28.738 0.021 0.000 0.901 203 Q HN 0.671 nan 8.270 nan 0.000 0.429 204 A N 0.253 122.697 122.820 -0.626 0.000 1.929 204 A HA -0.083 4.285 4.320 0.079 0.000 0.216 204 A C 2.170 179.500 177.584 -0.422 0.000 1.176 204 A CA 1.045 52.521 52.037 -0.935 0.000 0.628 204 A CB -0.394 18.059 19.000 -0.911 0.000 0.816 204 A HN 0.269 nan 8.150 nan 0.000 0.444 205 M N -0.599 118.842 119.600 -0.265 0.000 2.117 205 M HA -0.081 4.446 4.480 0.079 0.000 0.262 205 M C 2.045 178.260 176.300 -0.142 0.000 1.065 205 M CA 1.344 56.547 55.300 -0.163 0.000 1.114 205 M CB -0.350 32.181 32.600 -0.115 0.000 1.361 205 M HN 0.408 nan 8.290 nan 0.000 0.408 206 L N -0.623 120.512 121.223 -0.147 0.000 2.046 206 L HA -0.209 4.179 4.340 0.079 0.000 0.208 206 L C 2.734 179.543 176.870 -0.101 0.000 1.077 206 L CA 1.305 56.077 54.840 -0.114 0.000 0.747 206 L CB -0.927 41.065 42.059 -0.111 0.000 0.896 206 L HN 0.323 nan 8.230 nan 0.000 0.432 207 A N -0.010 122.732 122.820 -0.131 0.000 1.908 207 A HA -0.203 4.165 4.320 0.079 0.000 0.218 207 A C 2.502 180.044 177.584 -0.070 0.000 1.181 207 A CA 1.883 53.870 52.037 -0.084 0.000 0.627 207 A CB -0.679 18.260 19.000 -0.102 0.000 0.818 207 A HN 0.430 nan 8.150 nan 0.000 0.445 208 A N -0.814 121.947 122.820 -0.099 0.000 1.930 208 A HA -0.049 4.319 4.320 0.079 0.000 0.217 208 A C 2.229 179.781 177.584 -0.054 0.000 1.175 208 A CA 1.645 53.640 52.037 -0.070 0.000 0.627 208 A CB -0.506 18.445 19.000 -0.083 0.000 0.815 208 A HN 0.522 nan 8.150 nan 0.000 0.443 209 M N -0.633 118.930 119.600 -0.061 0.000 2.213 209 M HA -0.134 4.394 4.480 0.079 0.000 0.263 209 M C 2.043 178.319 176.300 -0.040 0.000 1.062 209 M CA 1.205 56.474 55.300 -0.051 0.000 1.105 209 M CB -0.392 32.173 32.600 -0.058 0.000 1.385 209 M HN 0.267 nan 8.290 nan 0.000 0.417 210 V N 0.475 120.366 119.914 -0.038 0.000 2.295 210 V HA -0.256 3.912 4.120 0.079 0.000 0.246 210 V C 2.097 178.179 176.094 -0.019 0.000 1.049 210 V CA 1.900 64.185 62.300 -0.025 0.000 1.024 210 V CB -0.746 31.066 31.823 -0.018 0.000 0.648 210 V HN 0.486 nan 8.190 nan 0.000 0.447 211 E N -0.170 120.019 120.200 -0.018 0.000 2.110 211 E HA -0.187 4.210 4.350 0.079 0.000 0.193 211 E C 2.243 178.834 176.600 -0.015 0.000 0.988 211 E CA 0.754 57.146 56.400 -0.013 0.000 0.804 211 E CB -0.187 29.507 29.700 -0.011 0.000 0.745 211 E HN 0.397 nan 8.360 nan 0.000 0.458 212 R N -0.283 120.204 120.500 -0.021 0.000 2.323 212 R HA -0.019 4.369 4.340 0.079 0.000 0.198 212 R C 1.087 177.375 176.300 -0.020 0.000 0.988 212 R CA 0.749 56.837 56.100 -0.021 0.000 1.041 212 R CB 0.306 30.591 30.300 -0.026 0.000 0.926 212 R HN 0.378 nan 8.270 nan 0.000 0.476 213 G N 0.466 109.255 108.800 -0.019 0.000 2.176 213 G HA2 -0.259 3.749 3.960 0.079 0.000 0.253 213 G HA3 -0.259 3.749 3.960 0.079 0.000 0.253 213 G C 0.293 175.180 174.900 -0.021 0.000 0.979 213 G CA 0.182 45.271 45.100 -0.018 0.000 0.641 213 G HN 0.168 nan 8.290 nan 0.000 0.530 214 V N 2.332 122.230 119.914 -0.027 0.000 2.673 214 V HA 0.239 4.406 4.120 0.079 0.000 0.303 214 V C 1.638 177.715 176.094 -0.029 0.000 1.046 214 V CA 1.160 63.441 62.300 -0.031 0.000 1.126 214 V CB 1.384 33.184 31.823 -0.039 0.000 0.934 214 V HN 0.597 nan 8.190 nan 0.000 0.487 215 D N 2.277 122.660 120.400 -0.028 0.000 2.394 215 D HA 0.005 4.693 4.640 0.079 0.000 0.226 215 D C 0.430 176.713 176.300 -0.029 0.000 0.990 215 D CA 0.336 54.321 54.000 -0.025 0.000 0.902 215 D CB 0.859 41.648 40.800 -0.019 0.000 1.038 215 D HN 0.550 nan 8.370 nan 0.000 0.499 216 T N 0.598 115.133 114.554 -0.032 0.000 2.876 216 T HA 0.524 4.921 4.350 0.079 0.000 0.289 216 T C -0.830 173.846 174.700 -0.041 0.000 1.014 216 T CA -0.579 61.501 62.100 -0.033 0.000 0.986 216 T CB 2.853 71.704 68.868 -0.028 0.000 1.021 216 T HN -0.114 nan 8.240 nan 0.000 0.458 217 V N 2.622 122.511 119.914 -0.042 0.000 2.577 217 V HA 0.589 4.757 4.120 0.079 0.000 0.303 217 V C -0.531 175.545 176.094 -0.029 0.000 1.042 217 V CA -0.825 61.447 62.300 -0.046 0.000 0.872 217 V CB 1.920 33.708 31.823 -0.057 0.000 0.998 217 V HN 0.711 nan 8.190 nan 0.000 0.423 218 V N 7.102 126.994 119.914 -0.036 0.000 2.398 218 V HA 0.678 4.845 4.120 0.079 0.000 0.286 218 V C -0.424 175.665 176.094 -0.008 0.000 1.026 218 V CA -0.190 62.100 62.300 -0.017 0.000 0.868 218 V CB 1.475 33.277 31.823 -0.036 0.000 0.982 218 V HN 0.894 nan 8.190 nan 0.000 0.443 219 M N 5.203 124.826 119.600 0.038 0.000 2.395 219 M HA 0.527 5.055 4.480 0.079 0.000 0.307 219 M C -0.449 175.885 176.300 0.056 0.000 1.091 219 M CA -0.492 54.841 55.300 0.054 0.000 0.919 219 M CB 2.437 35.110 32.600 0.121 0.000 1.662 219 M HN 0.656 nan 8.290 nan 0.000 0.440 220 E N 1.709 121.933 120.200 0.040 0.000 2.338 220 E HA 0.280 4.678 4.350 0.079 0.000 0.272 220 E C -1.087 175.538 176.600 0.042 0.000 1.029 220 E CA -0.173 56.249 56.400 0.035 0.000 0.872 220 E CB 1.301 31.020 29.700 0.032 0.000 1.015 220 E HN 0.317 nan 8.360 nan 0.000 0.417 221 V N 3.863 123.790 119.914 0.022 0.000 2.305 221 V HA 0.086 4.254 4.120 0.079 0.000 0.275 221 V C 0.177 176.280 176.094 0.015 0.000 1.020 221 V CA -0.691 61.617 62.300 0.013 0.000 0.811 221 V CB 0.955 32.742 31.823 -0.061 0.000 1.031 221 V HN 0.733 nan 8.190 nan 0.000 0.439 222 S N 3.179 118.901 115.700 0.036 0.000 2.593 222 S HA 0.142 4.660 4.470 0.079 0.000 0.269 222 S C 1.444 176.089 174.600 0.075 0.000 1.334 222 S CA 0.233 58.465 58.200 0.053 0.000 1.015 222 S CB 1.375 64.597 63.200 0.037 0.000 0.912 222 S HN 1.010 nan 8.310 nan 0.000 0.541 223 S N 0.463 116.237 115.700 0.124 0.000 2.489 223 S HA -0.052 4.466 4.470 0.079 0.000 0.228 223 S C 1.363 176.106 174.600 0.239 0.000 0.995 223 S CA 0.683 59.012 58.200 0.215 0.000 0.934 223 S CB -0.868 62.547 63.200 0.358 0.000 0.771 223 S HN 0.871 nan 8.310 nan 0.000 0.522 224 H N 2.126 121.182 119.070 -0.024 0.000 2.321 224 H HA 0.211 4.807 4.556 0.066 0.000 0.300 224 H C 2.522 177.798 175.328 -0.086 0.000 1.087 224 H CA 1.735 57.617 56.048 -0.277 0.000 1.319 224 H CB -0.496 28.954 29.762 -0.520 0.000 1.379 224 H HN 0.562 nan 8.280 nan 0.000 0.501 225 A N 0.278 123.149 122.820 0.086 0.000 1.972 225 A HA -0.122 4.246 4.320 0.079 0.000 0.219 225 A C 2.206 179.839 177.584 0.081 0.000 1.169 225 A CA 1.323 53.401 52.037 0.067 0.000 0.635 225 A CB -0.607 18.426 19.000 0.055 0.000 0.810 225 A HN 0.327 nan 8.150 nan 0.000 0.446 226 L N -1.137 120.141 121.223 0.091 0.000 2.095 226 L HA -0.031 4.357 4.340 0.079 0.000 0.204 226 L C 3.031 179.972 176.870 0.119 0.000 1.080 226 L CA 0.883 55.771 54.840 0.081 0.000 0.759 226 L CB -0.515 41.574 42.059 0.049 0.000 0.914 226 L HN 0.353 nan 8.230 nan 0.000 0.439 227 A N -0.015 122.917 122.820 0.188 0.000 1.908 227 A HA -0.135 4.232 4.320 0.079 0.000 0.218 227 A C 1.780 179.473 177.584 0.182 0.000 1.181 227 A CA 1.438 53.613 52.037 0.230 0.000 0.627 227 A CB -0.432 18.809 19.000 0.402 0.000 0.818 227 A HN 0.287 nan 8.150 nan 0.000 0.445 228 L N -0.702 120.617 121.223 0.160 0.000 2.685 228 L HA 0.258 4.646 4.340 0.079 0.000 0.233 228 L C 1.529 178.448 176.870 0.081 0.000 1.173 228 L CA 0.767 55.682 54.840 0.124 0.000 0.961 228 L CB -1.394 40.733 42.059 0.114 0.000 1.217 228 L HN 0.582 nan 8.230 nan 0.000 0.478 229 G N 0.846 109.694 108.800 0.081 0.000 2.321 229 G HA2 -0.384 3.624 3.960 0.079 0.000 0.287 229 G HA3 -0.384 3.624 3.960 0.079 0.000 0.287 229 G C 1.393 176.328 174.900 0.058 0.000 1.018 229 G CA 0.716 45.855 45.100 0.066 0.000 0.855 229 G HN 0.418 nan 8.290 nan 0.000 0.507 230 R N -0.869 119.667 120.500 0.059 0.000 2.200 230 R HA -0.017 4.371 4.340 0.079 0.000 0.234 230 R C 2.219 178.558 176.300 0.064 0.000 1.127 230 R CA 1.610 57.740 56.100 0.050 0.000 0.989 230 R CB -0.101 30.225 30.300 0.042 0.000 0.869 230 R HN 0.921 nan 8.270 nan 0.000 0.459 231 V N -2.396 117.576 119.914 0.097 0.000 3.039 231 V HA 0.173 4.341 4.120 0.079 0.000 0.369 231 V C 0.448 176.619 176.094 0.128 0.000 1.344 231 V CA -0.073 62.312 62.300 0.143 0.000 1.270 231 V CB 0.608 32.606 31.823 0.291 0.000 1.284 231 V HN -0.109 nan 8.190 nan 0.000 0.518 232 D N 3.093 123.540 120.400 0.078 0.000 2.117 232 D HA -0.018 4.670 4.640 0.079 0.000 0.198 232 D C 2.095 178.430 176.300 0.057 0.000 0.982 232 D CA 2.074 56.115 54.000 0.068 0.000 0.828 232 D CB -0.029 40.799 40.800 0.047 0.000 0.967 232 D HN 0.617 nan 8.370 nan 0.000 0.464 233 G N -0.594 108.230 108.800 0.040 0.000 3.042 233 G HA2 0.004 4.011 3.960 0.079 0.000 0.212 233 G HA3 0.004 4.011 3.960 0.079 0.000 0.212 233 G C 0.333 175.236 174.900 0.006 0.000 1.166 233 G CA -0.017 45.109 45.100 0.043 0.000 0.767 233 G HN 0.089 nan 8.290 nan 0.000 0.546 234 T N 1.567 116.088 114.554 -0.054 0.000 2.794 234 T HA 0.394 4.791 4.350 0.079 0.000 0.296 234 T C 0.100 174.642 174.700 -0.265 0.000 0.949 234 T CA -0.336 61.618 62.100 -0.244 0.000 1.101 234 T CB 1.303 69.886 68.868 -0.475 0.000 0.905 234 T HN 0.040 nan 8.240 nan 0.000 0.516 235 R N 2.340 122.691 120.500 -0.248 0.000 2.267 235 R HA 0.367 4.755 4.340 0.079 0.000 0.319 235 R C -0.745 175.379 176.300 -0.293 0.000 1.067 235 R CA -0.189 55.810 56.100 -0.168 0.000 0.936 235 R CB -0.137 30.109 30.300 -0.091 0.000 1.006 235 R HN 0.508 nan 8.270 nan 0.000 0.452 236 F N 1.304 121.227 119.950 -0.045 0.000 2.405 236 F HA 0.300 4.871 4.527 0.073 0.000 0.355 236 F C 1.317 177.091 175.800 -0.044 0.000 1.121 236 F CA -0.427 57.540 58.000 -0.055 0.000 1.112 236 F CB 1.556 40.502 39.000 -0.090 0.000 1.126 236 F HN 0.654 nan 8.300 nan 0.000 0.481 237 A N 2.821 125.699 122.820 0.096 0.000 2.014 237 A HA 0.233 4.600 4.320 0.079 0.000 0.218 237 A C 0.441 178.072 177.584 0.079 0.000 1.163 237 A CA 0.865 52.941 52.037 0.064 0.000 0.652 237 A CB 0.018 19.037 19.000 0.032 0.000 0.808 237 A HN 0.461 nan 8.150 nan 0.000 0.449 238 V N -1.726 118.253 119.914 0.108 0.000 2.932 238 V HA 0.609 4.777 4.120 0.079 0.000 0.307 238 V C -0.111 176.012 176.094 0.049 0.000 1.147 238 V CA -0.226 62.120 62.300 0.077 0.000 0.951 238 V CB 1.892 33.755 31.823 0.066 0.000 1.031 238 V HN 0.403 nan 8.190 nan 0.000 0.426 239 G N 2.000 110.782 108.800 -0.030 0.000 2.544 239 G HA2 0.759 4.767 3.960 0.079 0.000 0.313 239 G HA3 0.759 4.767 3.960 0.079 0.000 0.313 239 G C -0.638 174.368 174.900 0.177 0.000 1.316 239 G CA -0.125 44.867 45.100 -0.179 0.000 0.944 239 G HN 1.127 nan 8.290 nan 0.000 0.489 240 A N 1.930 124.878 122.820 0.213 0.000 2.324 240 A HA 0.778 5.145 4.320 0.079 0.000 0.330 240 A C -1.445 176.411 177.584 0.453 0.000 1.165 240 A CA -0.688 51.540 52.037 0.318 0.000 0.813 240 A CB 1.269 20.347 19.000 0.130 0.000 1.197 240 A HN 0.868 nan 8.150 nan 0.000 0.484 241 F N 2.781 122.792 119.950 0.101 0.000 2.375 241 F HA 0.384 4.971 4.527 0.100 0.000 0.361 241 F C 1.469 177.222 175.800 -0.078 0.000 1.117 241 F CA 0.088 58.025 58.000 -0.105 0.000 1.037 241 F CB 1.627 40.289 39.000 -0.564 0.000 1.192 241 F HN 0.724 nan 8.300 nan 0.000 0.452 242 T N 1.798 116.006 114.554 -0.576 0.000 2.706 242 T HA 0.150 4.548 4.350 0.079 0.000 0.255 242 T C 0.193 174.597 174.700 -0.493 0.000 1.048 242 T CA 1.276 63.138 62.100 -0.396 0.000 1.153 242 T CB -0.444 68.262 68.868 -0.270 0.000 0.865 242 T HN 0.680 nan 8.240 nan 0.000 0.414 243 N N -0.748 117.442 118.700 -0.850 0.000 3.261 243 N HA 0.558 5.346 4.740 0.079 0.000 0.248 243 N C -2.191 173.150 175.510 -0.281 0.000 1.498 243 N CA -1.101 51.736 53.050 -0.355 0.000 0.884 243 N CB 1.219 39.623 38.487 -0.138 0.000 1.428 243 N HN 0.378 nan 8.380 nan 0.000 0.517 244 L N 0.007 121.285 121.223 0.091 0.000 2.493 244 L HA 0.860 5.247 4.340 0.079 0.000 0.265 244 L C -1.367 175.575 176.870 0.120 0.000 0.954 244 L CA 0.063 54.976 54.840 0.122 0.000 0.844 244 L CB 1.951 44.163 42.059 0.256 0.000 1.302 244 L HN 1.076 nan 8.230 nan 0.000 0.405 245 S N 2.218 118.012 115.700 0.157 0.000 2.570 245 S HA 0.806 5.323 4.470 0.079 0.000 0.270 245 S C -0.347 174.384 174.600 0.219 0.000 1.149 245 S CA -0.385 57.900 58.200 0.142 0.000 0.837 245 S CB 1.551 64.792 63.200 0.068 0.000 1.124 245 S HN 1.038 nan 8.310 nan 0.000 0.465 246 R N 1.165 121.747 120.500 0.137 0.000 2.976 246 R HA 0.318 4.705 4.340 0.079 0.000 0.354 246 R C -0.284 176.028 176.300 0.019 0.000 0.794 246 R CA 1.159 57.313 56.100 0.091 0.000 1.085 246 R CB -1.969 28.350 30.300 0.030 0.000 0.896 246 R HN 0.790 nan 8.270 nan 0.000 0.393 247 D N -0.672 119.697 120.400 -0.052 0.000 2.570 247 D HA 0.405 5.093 4.640 0.079 0.000 0.244 247 D C -0.042 175.984 176.300 -0.457 0.000 1.178 247 D CA -0.372 53.480 54.000 -0.246 0.000 0.881 247 D CB 0.901 41.646 40.800 -0.091 0.000 1.453 247 D HN 0.599 nan 8.370 nan 0.000 0.447 248 H N 0.783 119.716 119.070 -0.227 0.000 2.921 248 H HA -0.160 4.433 4.556 0.061 0.000 0.281 248 H C 0.432 175.719 175.328 -0.069 0.000 1.165 248 H CA 0.203 56.183 56.048 -0.113 0.000 1.151 248 H CB -1.005 28.721 29.762 -0.060 0.000 1.311 248 H HN 0.167 nan 8.280 nan 0.000 0.361 249 L N 2.238 123.434 121.223 -0.044 0.000 2.777 249 L HA 0.052 4.439 4.340 0.079 0.000 0.244 249 L C 1.295 178.179 176.870 0.024 0.000 1.235 249 L CA 1.122 55.958 54.840 -0.007 0.000 1.062 249 L CB -0.145 41.893 42.059 -0.035 0.000 1.340 249 L HN 0.362 nan 8.230 nan 0.000 0.439 250 D N -4.020 116.423 120.400 0.071 0.000 2.539 250 D HA -0.031 4.656 4.640 0.079 0.000 0.232 250 D C 1.220 177.606 176.300 0.144 0.000 1.256 250 D CA -0.113 53.931 54.000 0.074 0.000 0.810 250 D CB -0.350 40.485 40.800 0.059 0.000 1.090 250 D HN 0.218 nan 8.370 nan 0.000 0.519 251 F N 0.878 120.813 119.950 -0.026 0.000 2.463 251 F HA 0.267 4.854 4.527 0.101 0.000 0.271 251 F C 0.396 176.080 175.800 -0.192 0.000 0.888 251 F CA -0.050 57.879 58.000 -0.119 0.000 1.149 251 F CB 0.279 39.150 39.000 -0.215 0.000 1.071 251 F HN -0.232 nan 8.300 nan 0.000 0.802 252 H N 3.281 122.253 119.070 -0.163 0.000 2.722 252 H HA 0.170 4.767 4.556 0.067 0.000 0.328 252 H C -1.612 173.626 175.328 -0.150 0.000 1.067 252 H CA -1.283 54.629 56.048 -0.227 0.000 1.447 252 H CB 0.845 30.610 29.762 0.005 0.000 1.469 252 H HN 0.163 nan 8.280 nan 0.000 0.544 253 P HA -0.058 nan 4.420 nan 0.000 0.233 253 P C -0.163 177.149 177.300 0.019 0.000 1.167 253 P CA 0.531 63.613 63.100 -0.031 0.000 0.770 253 P CB 0.659 32.325 31.700 -0.057 0.000 0.837 254 S N -2.761 112.976 115.700 0.061 0.000 2.565 254 S HA 0.376 4.894 4.470 0.079 0.000 0.269 254 S C 0.743 175.408 174.600 0.109 0.000 1.153 254 S CA -0.806 57.433 58.200 0.064 0.000 0.835 254 S CB 0.649 63.876 63.200 0.045 0.000 1.122 254 S HN -0.330 nan 8.310 nan 0.000 0.462 255 M N 1.328 120.992 119.600 0.108 0.000 2.267 255 M HA -0.072 4.456 4.480 0.079 0.000 0.263 255 M C 2.330 178.731 176.300 0.168 0.000 1.063 255 M CA 2.015 57.418 55.300 0.172 0.000 1.090 255 M CB -1.913 30.758 32.600 0.118 0.000 1.392 255 M HN 0.979 nan 8.290 nan 0.000 0.422 256 A N 0.732 123.615 122.820 0.105 0.000 1.834 256 A HA -0.213 4.155 4.320 0.079 0.000 0.216 256 A C 1.891 179.562 177.584 0.144 0.000 1.203 256 A CA 2.099 54.199 52.037 0.104 0.000 0.621 256 A CB -0.976 18.062 19.000 0.062 0.000 0.841 256 A HN 0.391 nan 8.150 nan 0.000 0.446 257 D N -1.694 118.773 120.400 0.111 0.000 2.149 257 D HA -0.199 4.488 4.640 0.079 0.000 0.194 257 D C 1.691 178.012 176.300 0.034 0.000 1.001 257 D CA 1.813 55.875 54.000 0.103 0.000 0.849 257 D CB -0.440 40.434 40.800 0.123 0.000 0.939 257 D HN 0.554 nan 8.370 nan 0.000 0.449 258 Y N 0.525 120.687 120.300 -0.230 0.000 2.128 258 Y HA -0.230 4.354 4.550 0.056 0.000 0.284 258 Y C 2.147 177.956 175.900 -0.152 0.000 1.154 258 Y CA 1.095 58.882 58.100 -0.522 0.000 1.149 258 Y CB -0.935 37.357 38.460 -0.281 0.000 0.976 258 Y HN -0.036 nan 8.280 nan 0.000 0.505 259 F N 0.903 120.742 119.950 -0.184 0.000 2.051 259 F HA -0.193 4.382 4.527 0.082 0.000 0.296 259 F C 2.315 178.054 175.800 -0.101 0.000 1.122 259 F CA 2.029 59.922 58.000 -0.178 0.000 1.201 259 F CB -0.310 38.624 39.000 -0.110 0.000 0.978 259 F HN -0.041 nan 8.300 nan 0.000 0.472 260 E N 1.358 121.596 120.200 0.064 0.000 2.086 260 E HA -0.215 4.183 4.350 0.079 0.000 0.200 260 E C 1.466 178.023 176.600 -0.071 0.000 1.012 260 E CA 0.956 57.349 56.400 -0.011 0.000 0.812 260 E CB -1.388 28.358 29.700 0.076 0.000 0.743 260 E HN 0.450 nan 8.360 nan 0.000 0.453 264 S N -0.084 115.571 115.700 -0.076 0.000 2.603 264 S HA 0.074 4.591 4.470 0.079 0.000 0.229 264 S C 1.365 175.878 174.600 -0.144 0.000 0.972 264 S CA 1.341 59.498 58.200 -0.072 0.000 0.935 264 S CB -0.081 63.091 63.200 -0.046 0.000 0.769 264 S HN 0.682 nan 8.310 nan 0.000 0.536 265 L N -0.613 120.452 121.223 -0.264 0.000 2.554 265 L HA 0.526 4.914 4.340 0.079 0.000 0.225 265 L C 0.767 177.176 176.870 -0.769 0.000 1.104 265 L CA 0.943 55.410 54.840 -0.622 0.000 0.866 265 L CB -0.319 41.175 42.059 -0.943 0.000 1.047 265 L HN 0.348 nan 8.230 nan 0.000 0.468 266 F N -2.366 117.505 119.950 -0.131 0.000 2.747 266 F HA 0.261 4.829 4.527 0.067 0.000 0.305 266 F C 0.924 176.680 175.800 -0.074 0.000 1.065 266 F CA -0.829 57.110 58.000 -0.101 0.000 1.230 266 F CB -0.099 38.824 39.000 -0.129 0.000 1.027 266 F HN -0.187 nan 8.300 nan 0.000 0.607 267 D N 3.374 123.823 120.400 0.081 0.000 2.472 267 D HA -0.021 4.667 4.640 0.079 0.000 0.248 267 D C -1.710 174.607 176.300 0.028 0.000 1.174 267 D CA -0.898 53.127 54.000 0.041 0.000 0.883 267 D CB 1.385 42.194 40.800 0.015 0.000 1.149 267 D HN -0.006 nan 8.370 nan 0.000 0.488 268 P HA -0.136 nan 4.420 nan 0.000 0.215 268 P C 0.736 178.047 177.300 0.018 0.000 1.157 268 P CA 1.072 64.189 63.100 0.028 0.000 0.874 268 P CB 0.294 32.011 31.700 0.029 0.000 0.790 269 D N -1.123 119.287 120.400 0.017 0.000 2.363 269 D HA -0.006 4.682 4.640 0.079 0.000 0.220 269 D C 0.832 177.138 176.300 0.011 0.000 0.994 269 D CA 0.480 54.488 54.000 0.014 0.000 0.890 269 D CB -0.002 40.806 40.800 0.015 0.000 0.906 269 D HN 0.147 nan 8.370 nan 0.000 0.530 270 S N -0.130 115.574 115.700 0.006 0.000 2.579 270 S HA 0.245 4.763 4.470 0.079 0.000 0.275 270 S C 1.406 176.008 174.600 0.004 0.000 1.345 270 S CA -0.044 58.156 58.200 0.001 0.000 1.031 270 S CB 1.659 64.850 63.200 -0.015 0.000 0.892 270 S HN 0.163 nan 8.310 nan 0.000 0.529 271 A N 4.440 127.266 122.820 0.010 0.000 1.883 271 A HA -0.035 4.333 4.320 0.079 0.000 0.217 271 A C 1.936 179.538 177.584 0.029 0.000 1.186 271 A CA 1.215 53.264 52.037 0.020 0.000 0.624 271 A CB -0.705 18.311 19.000 0.027 0.000 0.822 271 A HN 0.733 nan 8.150 nan 0.000 0.444 272 L N -0.572 120.664 121.223 0.021 0.000 2.478 272 L HA 0.069 4.457 4.340 0.079 0.000 0.223 272 L C 1.168 178.032 176.870 -0.010 0.000 1.140 272 L CA 0.438 55.302 54.840 0.040 0.000 0.842 272 L CB -1.613 40.437 42.059 -0.016 0.000 0.953 272 L HN 0.421 nan 8.230 nan 0.000 0.452 273 R N 1.985 122.459 120.500 -0.044 0.000 2.504 273 R HA -0.017 4.371 4.340 0.079 0.000 0.302 273 R C 0.056 176.336 176.300 -0.033 0.000 0.893 273 R CA 0.520 56.577 56.100 -0.072 0.000 1.138 273 R CB -0.199 30.086 30.300 -0.025 0.000 0.880 273 R HN 0.219 nan 8.270 nan 0.000 0.415 274 A N 4.194 126.957 122.820 -0.095 0.000 2.407 274 A HA 0.449 4.817 4.320 0.079 0.000 0.248 274 A C 1.597 179.198 177.584 0.027 0.000 1.082 274 A CA 0.274 52.315 52.037 0.007 0.000 0.785 274 A CB 0.227 19.203 19.000 -0.040 0.000 1.020 274 A HN 1.017 nan 8.150 nan 0.000 0.489 275 R N 1.084 121.614 120.500 0.050 0.000 2.119 275 R HA -0.053 4.334 4.340 0.079 0.000 0.246 275 R C 0.939 177.265 176.300 0.044 0.000 1.146 275 R CA 2.417 58.541 56.100 0.040 0.000 0.962 275 R CB -1.608 28.714 30.300 0.036 0.000 0.863 275 R HN 0.887 nan 8.270 nan 0.000 0.442 276 T N -1.148 113.438 114.554 0.054 0.000 2.876 276 T HA 0.721 5.118 4.350 0.079 0.000 0.289 276 T C -0.784 173.971 174.700 0.091 0.000 1.014 276 T CA -0.059 62.083 62.100 0.070 0.000 0.986 276 T CB 1.842 70.754 68.868 0.072 0.000 1.021 276 T HN 0.675 nan 8.240 nan 0.000 0.458 277 A N 2.148 125.051 122.820 0.138 0.000 2.337 277 A HA 0.836 5.204 4.320 0.079 0.000 0.329 277 A C -0.764 176.954 177.584 0.224 0.000 1.146 277 A CA -0.677 51.504 52.037 0.240 0.000 0.800 277 A CB 0.983 20.191 19.000 0.346 0.000 1.220 277 A HN 0.690 nan 8.150 nan 0.000 0.472 278 V N 2.506 122.574 119.914 0.255 0.000 2.577 278 V HA 0.552 4.719 4.120 0.079 0.000 0.303 278 V C -0.725 175.467 176.094 0.163 0.000 1.042 278 V CA -0.457 61.950 62.300 0.179 0.000 0.872 278 V CB 1.648 33.540 31.823 0.116 0.000 0.998 278 V HN 0.697 nan 8.190 nan 0.000 0.423 279 V N 3.434 123.410 119.914 0.102 0.000 2.638 279 V HA 0.363 4.531 4.120 0.079 0.000 0.306 279 V C -0.110 176.035 176.094 0.085 0.000 1.052 279 V CA -0.635 61.700 62.300 0.059 0.000 0.885 279 V CB 1.978 33.744 31.823 -0.095 0.000 0.999 279 V HN 1.014 nan 8.190 nan 0.000 0.424 280 C N 5.911 125.291 119.300 0.133 0.000 2.593 280 C HA 0.388 4.896 4.460 0.079 0.000 0.409 280 C C 1.465 176.514 174.990 0.097 0.000 1.304 280 C CA -0.245 58.833 59.018 0.100 0.000 2.007 280 C CB -0.334 27.449 27.740 0.072 0.000 2.614 280 C HN 0.777 nan 8.230 nan 0.000 0.585 281 I N 4.066 124.667 120.570 0.051 0.000 3.968 281 I HA 0.088 4.306 4.170 0.079 0.000 0.328 281 I C 1.737 177.869 176.117 0.024 0.000 1.290 281 I CA 0.739 62.052 61.300 0.021 0.000 1.163 281 I CB -0.731 37.265 38.000 -0.007 0.000 1.024 281 I HN 0.692 nan 8.210 nan 0.000 0.413 282 D N 0.722 121.144 120.400 0.037 0.000 2.144 282 D HA -0.107 4.581 4.640 0.079 0.000 0.200 282 D C 1.013 177.332 176.300 0.032 0.000 0.978 282 D CA 0.982 54.999 54.000 0.029 0.000 0.833 282 D CB 0.167 40.984 40.800 0.029 0.000 0.961 282 D HN 0.269 nan 8.370 nan 0.000 0.470 283 D N 0.628 121.061 120.400 0.055 0.000 2.341 283 D HA -0.039 4.648 4.640 0.079 0.000 0.245 283 D C 0.741 177.065 176.300 0.040 0.000 1.106 283 D CA -0.236 53.801 54.000 0.061 0.000 0.905 283 D CB 1.382 42.256 40.800 0.122 0.000 1.202 283 D HN -0.209 nan 8.370 nan 0.000 0.426 284 D N 2.390 122.799 120.400 0.015 0.000 2.092 284 D HA -0.169 4.518 4.640 0.079 0.000 0.193 284 D C 1.763 178.038 176.300 -0.041 0.000 0.994 284 D CA 1.730 55.717 54.000 -0.021 0.000 0.828 284 D CB -0.353 40.425 40.800 -0.037 0.000 0.963 284 D HN 0.545 nan 8.370 nan 0.000 0.450 285 A N 0.671 123.486 122.820 -0.008 0.000 1.958 285 A HA -0.161 4.207 4.320 0.079 0.000 0.221 285 A C 2.366 179.908 177.584 -0.070 0.000 1.178 285 A CA 2.454 54.485 52.037 -0.010 0.000 0.642 285 A CB -1.186 17.922 19.000 0.180 0.000 0.816 285 A HN 0.338 nan 8.150 nan 0.000 0.453 286 G N -0.759 108.064 108.800 0.037 0.000 2.421 286 G HA2 -0.238 3.770 3.960 0.079 0.000 0.216 286 G HA3 -0.238 3.770 3.960 0.079 0.000 0.216 286 G C 1.731 176.538 174.900 -0.155 0.000 1.171 286 G CA 0.971 46.035 45.100 -0.060 0.000 0.775 286 G HN 0.593 nan 8.290 nan 0.000 0.543 287 R N 0.577 121.026 120.500 -0.085 0.000 2.094 287 R HA -0.065 4.323 4.340 0.079 0.000 0.239 287 R C 3.023 179.256 176.300 -0.112 0.000 1.137 287 R CA 1.463 57.511 56.100 -0.087 0.000 0.943 287 R CB -0.477 29.784 30.300 -0.065 0.000 0.850 287 R HN 0.347 nan 8.270 nan 0.000 0.433 288 A N 0.596 123.339 122.820 -0.129 0.000 1.972 288 A HA -0.152 4.216 4.320 0.079 0.000 0.219 288 A C 2.120 179.687 177.584 -0.028 0.000 1.169 288 A CA 1.303 53.272 52.037 -0.113 0.000 0.635 288 A CB -0.309 18.537 19.000 -0.257 0.000 0.810 288 A HN 0.160 nan 8.150 nan 0.000 0.446 289 M N -0.820 118.677 119.600 -0.172 0.000 2.200 289 M HA -0.049 4.479 4.480 0.079 0.000 0.265 289 M C 2.556 178.676 176.300 -0.299 0.000 1.066 289 M CA 1.392 56.463 55.300 -0.381 0.000 1.127 289 M CB -1.170 30.783 32.600 -1.077 0.000 1.379 289 M HN 0.493 nan 8.290 nan 0.000 0.420 290 A N 0.394 123.070 122.820 -0.240 0.000 1.940 290 A HA -0.069 4.299 4.320 0.079 0.000 0.219 290 A C 2.345 179.891 177.584 -0.062 0.000 1.176 290 A CA 2.102 54.063 52.037 -0.126 0.000 0.631 290 A CB -0.818 18.129 19.000 -0.089 0.000 0.814 290 A HN 0.494 nan 8.150 nan 0.000 0.446 291 A N -0.815 121.969 122.820 -0.060 0.000 2.014 291 A HA -0.034 4.334 4.320 0.079 0.000 0.218 291 A C 2.145 179.722 177.584 -0.010 0.000 1.163 291 A CA 1.841 53.862 52.037 -0.028 0.000 0.652 291 A CB -0.347 18.635 19.000 -0.031 0.000 0.808 291 A HN 0.468 nan 8.150 nan 0.000 0.449 292 R N 0.165 120.654 120.500 -0.017 0.000 2.055 292 R HA 0.087 4.475 4.340 0.079 0.000 0.228 292 R C 2.151 178.463 176.300 0.021 0.000 1.143 292 R CA 1.752 57.856 56.100 0.007 0.000 0.945 292 R CB -0.895 29.407 30.300 0.003 0.000 0.841 292 R HN 0.327 nan 8.270 nan 0.000 0.429 293 A N -0.186 122.647 122.820 0.021 0.000 2.186 293 A HA 0.118 4.486 4.320 0.079 0.000 0.219 293 A C 1.740 179.360 177.584 0.061 0.000 1.159 293 A CA 1.830 53.913 52.037 0.077 0.000 0.680 293 A CB -0.773 18.307 19.000 0.133 0.000 0.787 293 A HN 0.688 nan 8.150 nan 0.000 0.467 294 A N -0.053 122.790 122.820 0.039 0.000 1.344 294 A HA -0.348 4.020 4.320 0.079 0.000 0.222 294 A C 0.911 178.530 177.584 0.058 0.000 0.364 294 A CA 2.040 54.102 52.037 0.041 0.000 1.096 294 A CB -2.109 16.913 19.000 0.037 0.000 1.468 294 A HN 1.180 nan 8.150 nan 0.000 0.722 295 D N 0.159 120.600 120.400 0.068 0.000 3.163 295 D HA 0.639 5.327 4.640 0.079 0.000 0.284 295 D C 0.051 176.417 176.300 0.110 0.000 1.368 295 D CA 0.597 54.645 54.000 0.082 0.000 0.895 295 D CB -0.439 40.396 40.800 0.059 0.000 1.061 295 D HN 1.149 nan 8.370 nan 0.000 0.496 296 A N 0.694 123.590 122.820 0.128 0.000 2.371 296 A HA 0.467 4.835 4.320 0.079 0.000 0.257 296 A C 0.353 178.087 177.584 0.250 0.000 1.089 296 A CA -0.588 51.541 52.037 0.153 0.000 0.794 296 A CB 0.281 19.337 19.000 0.093 0.000 1.029 296 A HN 0.489 nan 8.150 nan 0.000 0.488 297 I N 2.576 123.303 120.570 0.262 0.000 2.322 297 I HA 0.182 4.399 4.170 0.079 0.000 0.292 297 I C 0.989 177.342 176.117 0.395 0.000 1.060 297 I CA -0.039 61.527 61.300 0.444 0.000 1.309 297 I CB 0.808 38.997 38.000 0.315 0.000 1.415 297 I HN 0.797 nan 8.210 nan 0.000 0.492 298 T N 3.258 118.031 114.554 0.365 0.000 2.902 298 T HA 0.721 5.119 4.350 0.079 0.000 0.280 298 T C -0.284 174.506 174.700 0.150 0.000 0.992 298 T CA -0.710 61.435 62.100 0.075 0.000 1.015 298 T CB 2.128 70.906 68.868 -0.152 0.000 1.044 298 T HN 0.257 nan 8.240 nan 0.000 0.520 299 V N 1.046 121.026 119.914 0.109 0.000 2.789 299 V HA 0.673 4.841 4.120 0.079 0.000 0.300 299 V C -0.802 175.346 176.094 0.091 0.000 1.184 299 V CA -0.724 61.669 62.300 0.155 0.000 0.930 299 V CB 2.120 34.016 31.823 0.121 0.000 1.041 299 V HN 1.224 nan 8.190 nan 0.000 0.430 300 S N 3.326 119.084 115.700 0.096 0.000 2.614 300 S HA 0.730 5.248 4.470 0.079 0.000 0.275 300 S C 0.314 174.939 174.600 0.042 0.000 1.161 300 S CA 0.319 58.549 58.200 0.051 0.000 0.969 300 S CB 1.946 65.165 63.200 0.032 0.000 1.059 300 S HN 1.283 nan 8.310 nan 0.000 0.482 301 A N 3.335 126.156 122.820 0.002 0.000 2.308 301 A HA 0.649 5.017 4.320 0.079 0.000 0.217 301 A C 1.171 178.734 177.584 -0.035 0.000 1.216 301 A CA 0.445 52.456 52.037 -0.044 0.000 0.864 301 A CB -0.138 18.792 19.000 -0.116 0.000 0.902 301 A HN 1.292 nan 8.150 nan 0.000 0.499 302 A N -0.313 122.501 122.820 -0.011 0.000 2.965 302 A HA 0.504 4.871 4.320 0.079 0.000 0.304 302 A C 0.199 177.780 177.584 -0.005 0.000 1.214 302 A CA 0.237 52.268 52.037 -0.011 0.000 0.977 302 A CB -0.513 18.485 19.000 -0.004 0.000 1.127 302 A HN 0.293 nan 8.150 nan 0.000 0.572 303 D N -0.566 119.833 120.400 -0.001 0.000 3.067 303 D HA -0.189 4.499 4.640 0.079 0.000 0.216 303 D C 0.498 176.799 176.300 0.002 0.000 1.162 303 D CA 1.502 55.504 54.000 0.003 0.000 0.960 303 D CB -0.968 39.832 40.800 -0.001 0.000 1.129 303 D HN 0.714 nan 8.370 nan 0.000 0.408 304 R N 0.184 120.684 120.500 0.001 0.000 2.641 304 R HA 0.394 4.782 4.340 0.079 0.000 0.269 304 R C -2.341 173.955 176.300 -0.006 0.000 1.074 304 R CA -1.273 54.824 56.100 -0.005 0.000 1.133 304 R CB 0.325 30.621 30.300 -0.007 0.000 1.029 304 R HN -0.023 nan 8.270 nan 0.000 0.488 305 P HA 0.142 nan 4.420 nan 0.000 0.276 305 P C -1.375 175.888 177.300 -0.062 0.000 1.264 305 P CA 0.123 63.206 63.100 -0.028 0.000 0.769 305 P CB 1.343 33.025 31.700 -0.029 0.000 0.840 306 A N 2.766 125.553 122.820 -0.056 0.000 2.527 306 A HA 0.492 4.859 4.320 0.079 0.000 0.293 306 A C 0.757 178.296 177.584 -0.075 0.000 1.117 306 A CA -0.476 51.498 52.037 -0.105 0.000 0.723 306 A CB 0.634 19.639 19.000 0.009 0.000 1.313 306 A HN 0.520 nan 8.150 nan 0.000 0.411 307 H N -0.593 118.537 119.070 0.101 0.000 2.321 307 H HA -0.083 4.520 4.556 0.078 0.000 0.300 307 H C -0.423 174.884 175.328 -0.036 0.000 1.087 307 H CA 1.369 57.444 56.048 0.045 0.000 1.319 307 H CB -0.075 29.753 29.762 0.111 0.000 1.379 307 H HN 0.626 nan 8.280 nan 0.000 0.501 308 W N 1.206 122.596 121.300 0.150 0.000 2.391 308 W HA 0.490 5.202 4.660 0.087 0.000 0.311 308 W C 0.185 176.751 176.519 0.079 0.000 1.087 308 W CA -0.521 56.892 57.345 0.114 0.000 1.209 308 W CB 1.065 30.593 29.460 0.112 0.000 1.273 308 W HN -0.201 nan 8.180 nan 0.000 0.482 309 R N 1.850 122.517 120.500 0.279 0.000 2.744 309 R HA 0.834 5.221 4.340 0.079 0.000 0.279 309 R C -0.850 175.581 176.300 0.219 0.000 0.977 309 R CA -0.894 55.317 56.100 0.185 0.000 0.906 309 R CB 2.019 32.379 30.300 0.101 0.000 1.197 309 R HN 0.513 nan 8.270 nan 0.000 0.463 310 A N 1.032 123.946 122.820 0.157 0.000 2.355 310 A HA 0.831 5.198 4.320 0.079 0.000 0.324 310 A C -0.749 176.898 177.584 0.104 0.000 1.117 310 A CA -0.515 51.631 52.037 0.182 0.000 0.785 310 A CB 1.446 20.430 19.000 -0.027 0.000 1.254 310 A HN 0.744 nan 8.150 nan 0.000 0.453 311 T N -1.984 112.661 114.554 0.151 0.000 2.769 311 T HA 0.591 4.989 4.350 0.079 0.000 0.306 311 T C -1.006 173.756 174.700 0.104 0.000 1.400 311 T CA -0.204 61.947 62.100 0.086 0.000 1.007 311 T CB 1.199 70.103 68.868 0.061 0.000 1.392 311 T HN 0.681 nan 8.240 nan 0.000 0.500 312 D N -0.655 119.784 120.400 0.065 0.000 2.835 312 D HA -0.108 4.580 4.640 0.079 0.000 0.230 312 D C 0.028 176.377 176.300 0.083 0.000 1.130 312 D CA 0.541 54.577 54.000 0.061 0.000 0.738 312 D CB -1.932 38.897 40.800 0.048 0.000 1.090 312 D HN 0.669 nan 8.370 nan 0.000 0.433 313 V N -0.030 119.929 119.914 0.074 0.000 2.485 313 V HA 0.405 4.572 4.120 0.079 0.000 0.287 313 V C 1.020 177.150 176.094 0.061 0.000 1.022 313 V CA 0.579 62.923 62.300 0.074 0.000 1.067 313 V CB 0.989 32.797 31.823 -0.025 0.000 0.967 313 V HN 0.420 nan 8.190 nan 0.000 0.479 314 A N 7.928 130.801 122.820 0.089 0.000 2.340 314 A HA 0.776 5.144 4.320 0.079 0.000 0.297 314 A C -2.570 175.061 177.584 0.078 0.000 1.195 314 A CA -1.865 50.219 52.037 0.077 0.000 0.769 314 A CB 1.120 20.174 19.000 0.090 0.000 1.163 314 A HN 0.625 nan 8.150 nan 0.000 0.472 315 P HA 0.052 nan 4.420 nan 0.000 0.265 315 P C 0.299 177.638 177.300 0.065 0.000 1.167 315 P CA 0.990 64.126 63.100 0.059 0.000 0.760 315 P CB 0.488 32.226 31.700 0.063 0.000 0.783 316 T N -2.351 112.240 114.554 0.061 0.000 2.901 316 T HA 0.618 5.016 4.350 0.079 0.000 0.293 316 T C -0.402 174.324 174.700 0.043 0.000 1.084 316 T CA -0.742 61.392 62.100 0.056 0.000 1.008 316 T CB 0.812 69.719 68.868 0.065 0.000 1.170 316 T HN 0.292 nan 8.240 nan 0.000 0.509 317 D N -0.544 119.877 120.400 0.034 0.000 2.443 317 D HA 0.507 5.195 4.640 0.079 0.000 0.239 317 D C 1.303 177.617 176.300 0.023 0.000 1.136 317 D CA 0.171 54.185 54.000 0.023 0.000 0.879 317 D CB -0.396 40.413 40.800 0.016 0.000 1.195 317 D HN 2.094 nan 8.370 nan 0.000 0.443 318 A N 0.188 123.018 122.820 0.016 0.000 3.294 318 A HA 0.313 4.680 4.320 0.079 0.000 0.242 318 A C 2.309 179.908 177.584 0.024 0.000 1.282 318 A CA 1.433 53.479 52.037 0.016 0.000 1.197 318 A CB -1.842 17.169 19.000 0.017 0.000 1.145 318 A HN 2.788 nan 8.150 nan 0.000 0.898 319 G N -2.072 106.746 108.800 0.030 0.000 2.203 319 G HA2 0.083 4.090 3.960 0.079 0.000 0.263 319 G HA3 0.083 4.090 3.960 0.079 0.000 0.263 319 G C 1.638 176.561 174.900 0.039 0.000 1.012 319 G CA 1.319 46.440 45.100 0.036 0.000 0.749 319 G HN 2.451 nan 8.290 nan 0.000 0.512 320 G N -1.586 107.240 108.800 0.045 0.000 2.510 320 G HA2 0.606 4.614 3.960 0.079 0.000 0.280 320 G HA3 0.606 4.614 3.960 0.079 0.000 0.280 320 G C -0.203 174.738 174.900 0.068 0.000 1.386 320 G CA -0.239 44.895 45.100 0.056 0.000 1.047 320 G HN 0.521 nan 8.290 nan 0.000 0.527 321 Q N -0.673 119.186 119.800 0.097 0.000 2.268 321 Q HA 0.269 4.657 4.340 0.079 0.000 0.266 321 Q C -0.920 175.201 176.000 0.202 0.000 1.006 321 Q CA -0.524 55.356 55.803 0.129 0.000 0.824 321 Q CB 2.405 31.211 28.738 0.113 0.000 1.306 321 Q HN 0.732 nan 8.270 nan 0.000 0.424 322 Q N 2.394 122.309 119.800 0.190 0.000 2.257 322 Q HA 0.829 5.216 4.340 0.079 0.000 0.262 322 Q C -0.815 175.305 176.000 0.200 0.000 0.997 322 Q CA -0.749 55.155 55.803 0.168 0.000 0.873 322 Q CB 1.868 30.729 28.738 0.205 0.000 1.312 322 Q HN 0.532 nan 8.270 nan 0.000 0.450 323 F N -2.799 117.049 119.950 -0.171 0.000 2.817 323 F HA 0.541 5.115 4.527 0.079 0.000 0.317 323 F C -1.538 174.098 175.800 -0.275 0.000 1.168 323 F CA -1.059 56.826 58.000 -0.191 0.000 0.911 323 F CB 1.390 40.350 39.000 -0.067 0.000 1.337 323 F HN 0.384 nan 8.300 nan 0.000 0.464 324 T N 1.921 116.485 114.554 0.016 0.000 2.749 324 T HA 0.702 5.100 4.350 0.079 0.000 0.287 324 T C -0.342 174.493 174.700 0.226 0.000 0.970 324 T CA -0.216 61.873 62.100 -0.017 0.000 0.980 324 T CB 1.096 69.973 68.868 0.014 0.000 0.924 324 T HN 0.883 nan 8.240 nan 0.000 0.456 325 A N 4.455 127.381 122.820 0.178 0.000 2.249 325 A HA 0.667 5.035 4.320 0.079 0.000 0.314 325 A C -0.142 177.642 177.584 0.333 0.000 1.290 325 A CA -0.630 51.639 52.037 0.386 0.000 0.893 325 A CB -0.183 19.071 19.000 0.423 0.000 1.165 325 A HN 0.869 nan 8.150 nan 0.000 0.530 326 I N 3.552 124.263 120.570 0.236 0.000 2.312 326 I HA 0.227 4.444 4.170 0.079 0.000 0.290 326 I C -0.124 175.904 176.117 -0.147 0.000 1.008 326 I CA -0.584 60.755 61.300 0.066 0.000 1.226 326 I CB 1.284 39.306 38.000 0.037 0.000 1.371 326 I HN 0.768 nan 8.210 nan 0.000 0.468 327 D N 7.182 127.327 120.400 -0.426 0.000 2.398 327 D HA 0.188 4.875 4.640 0.079 0.000 0.247 327 D C -2.083 173.768 176.300 -0.748 0.000 1.227 327 D CA -2.202 51.049 54.000 -1.249 0.000 0.980 327 D CB 0.042 40.200 40.800 -1.070 0.000 1.106 327 D HN 0.154 nan 8.370 nan 0.000 0.493 328 P HA 0.018 nan 4.420 nan 0.000 0.228 328 P C 0.578 177.764 177.300 -0.190 0.000 1.151 328 P CA 1.508 64.419 63.100 -0.316 0.000 0.770 328 P CB 0.004 31.562 31.700 -0.237 0.000 0.786 329 A N -0.950 121.746 122.820 -0.207 0.000 2.307 329 A HA 0.500 4.868 4.320 0.079 0.000 0.218 329 A C 1.616 179.138 177.584 -0.103 0.000 1.228 329 A CA 0.472 52.438 52.037 -0.118 0.000 0.857 329 A CB -1.127 17.820 19.000 -0.087 0.000 0.897 329 A HN 0.214 nan 8.150 nan 0.000 0.495 330 G N -1.105 107.619 108.800 -0.127 0.000 2.155 330 G HA2 -0.214 3.793 3.960 0.079 0.000 0.257 330 G HA3 -0.214 3.793 3.960 0.079 0.000 0.257 330 G C 0.175 175.023 174.900 -0.088 0.000 0.983 330 G CA 0.319 45.365 45.100 -0.090 0.000 0.676 330 G HN 0.786 nan 8.290 nan 0.000 0.528 331 V N 1.020 120.867 119.914 -0.111 0.000 2.461 331 V HA 0.636 4.804 4.120 0.079 0.000 0.275 331 V C 1.350 177.342 176.094 -0.171 0.000 1.047 331 V CA 0.040 62.253 62.300 -0.145 0.000 0.955 331 V CB 1.268 33.000 31.823 -0.151 0.000 0.988 331 V HN 0.650 nan 8.190 nan 0.000 0.471 332 G N 3.193 111.882 108.800 -0.185 0.000 2.503 332 G HA2 0.489 4.496 3.960 0.079 0.000 0.257 332 G HA3 0.489 4.496 3.960 0.079 0.000 0.257 332 G C -0.869 173.851 174.900 -0.300 0.000 1.214 332 G CA -0.157 44.871 45.100 -0.120 0.000 0.839 332 G HN 0.834 nan 8.290 nan 0.000 0.559 333 H N -0.971 118.113 119.070 0.024 0.000 3.017 333 H HA 0.197 4.802 4.556 0.081 0.000 0.340 333 H C -0.767 174.545 175.328 -0.028 0.000 1.014 333 H CA -0.683 55.382 56.048 0.029 0.000 1.341 333 H CB 1.342 31.142 29.762 0.063 0.000 1.739 333 H HN 0.568 nan 8.280 nan 0.000 0.506 334 H N 4.761 123.848 119.070 0.028 0.000 2.944 334 H HA 0.120 4.724 4.556 0.080 0.000 0.278 334 H C -0.421 174.834 175.328 -0.122 0.000 1.083 334 H CA 0.116 56.131 56.048 -0.055 0.000 1.479 334 H CB 0.190 29.932 29.762 -0.032 0.000 1.486 334 H HN 0.429 nan 8.280 nan 0.000 0.493 335 I N 3.141 123.510 120.570 -0.336 0.000 2.707 335 I HA 0.358 4.576 4.170 0.079 0.000 0.309 335 I C 0.939 176.877 176.117 -0.298 0.000 1.001 335 I CA -0.763 60.300 61.300 -0.394 0.000 1.129 335 I CB 1.768 39.273 38.000 -0.825 0.000 1.308 335 I HN 0.660 nan 8.210 nan 0.000 0.466 336 G N 5.016 113.751 108.800 -0.109 0.000 2.739 336 G HA2 0.594 4.602 3.960 0.079 0.000 0.291 336 G HA3 0.594 4.602 3.960 0.079 0.000 0.291 336 G C -1.570 173.366 174.900 0.060 0.000 1.478 336 G CA -0.120 44.994 45.100 0.023 0.000 1.062 336 G HN 0.271 nan 8.290 nan 0.000 0.532 337 I N 2.028 122.673 120.570 0.125 0.000 2.509 337 I HA 0.480 4.698 4.170 0.079 0.000 0.293 337 I C 1.121 177.296 176.117 0.097 0.000 1.020 337 I CA -1.456 59.921 61.300 0.129 0.000 1.088 337 I CB 2.164 40.287 38.000 0.205 0.000 1.267 337 I HN 0.677 nan 8.210 nan 0.000 0.430 338 R N 5.597 126.140 120.500 0.073 0.000 2.323 338 R HA 0.184 4.571 4.340 0.079 0.000 0.198 338 R C -0.525 175.805 176.300 0.049 0.000 0.988 338 R CA 0.343 56.475 56.100 0.055 0.000 1.041 338 R CB 0.095 30.421 30.300 0.043 0.000 0.926 338 R HN 0.464 nan 8.270 nan 0.000 0.476 339 L N 2.365 123.620 121.223 0.054 0.000 2.317 339 L HA 0.496 4.883 4.340 0.079 0.000 0.281 339 L C -2.136 174.745 176.870 0.018 0.000 1.024 339 L CA -2.477 52.386 54.840 0.039 0.000 0.810 339 L CB 1.623 43.710 42.059 0.047 0.000 1.240 339 L HN -0.056 nan 8.230 nan 0.000 0.427 340 P HA 0.372 nan 4.420 nan 0.000 0.278 340 P C -0.265 176.955 177.300 -0.135 0.000 1.266 340 P CA -0.141 62.936 63.100 -0.038 0.000 0.807 340 P CB 1.383 33.075 31.700 -0.013 0.000 1.094 341 G N 0.513 109.183 108.800 -0.216 0.000 3.338 341 G HA2 -0.147 3.861 3.960 0.079 0.000 0.686 341 G HA3 -0.147 3.861 3.960 0.079 0.000 0.686 341 G C 0.486 175.076 174.900 -0.517 0.000 1.053 341 G CA -0.160 44.651 45.100 -0.482 0.000 0.852 341 G HN 0.594 nan 8.290 nan 0.000 0.545 342 R N 1.948 122.188 120.500 -0.433 0.000 2.133 342 R HA -0.185 4.203 4.340 0.079 0.000 0.247 342 R C 2.436 178.608 176.300 -0.215 0.000 1.151 342 R CA 3.391 59.327 56.100 -0.274 0.000 0.971 342 R CB -0.672 29.524 30.300 -0.173 0.000 0.866 342 R HN 1.149 nan 8.270 nan 0.000 0.447 343 Y N -1.798 118.465 120.300 -0.062 0.000 2.516 343 Y HA 0.217 4.822 4.550 0.091 0.000 0.291 343 Y C 1.319 177.179 175.900 -0.066 0.000 1.131 343 Y CA 0.158 58.221 58.100 -0.061 0.000 1.281 343 Y CB -0.816 37.619 38.460 -0.041 0.000 1.013 343 Y HN -0.008 nan 8.280 nan 0.000 0.554 344 N N 0.716 119.487 118.700 0.118 0.000 2.409 344 N HA -0.075 4.713 4.740 0.079 0.000 0.179 344 N C 1.812 177.316 175.510 -0.009 0.000 1.032 344 N CA 1.082 54.199 53.050 0.112 0.000 0.898 344 N CB -0.072 38.452 38.487 0.062 0.000 0.971 344 N HN 0.358 nan 8.380 nan 0.000 0.441 345 V N 1.565 121.391 119.914 -0.147 0.000 2.343 345 V HA -0.219 3.949 4.120 0.079 0.000 0.247 345 V C 2.465 178.425 176.094 -0.223 0.000 1.051 345 V CA 1.871 63.946 62.300 -0.375 0.000 1.036 345 V CB -0.921 30.507 31.823 -0.657 0.000 0.654 345 V HN 0.258 nan 8.190 nan 0.000 0.451 346 A N 0.540 123.298 122.820 -0.104 0.000 1.858 346 A HA -0.250 4.118 4.320 0.079 0.000 0.216 346 A C 2.072 179.654 177.584 -0.003 0.000 1.190 346 A CA 2.118 54.135 52.037 -0.033 0.000 0.617 346 A CB -0.797 18.209 19.000 0.012 0.000 0.827 346 A HN 0.583 nan 8.150 nan 0.000 0.443 347 N N -0.170 118.546 118.700 0.027 0.000 2.060 347 N HA -0.208 4.580 4.740 0.079 0.000 0.195 347 N C 1.783 177.303 175.510 0.017 0.000 1.028 347 N CA 1.647 54.711 53.050 0.022 0.000 0.861 347 N CB -1.281 37.237 38.487 0.050 0.000 1.029 347 N HN 0.586 nan 8.380 nan 0.000 0.428 348 C N 0.943 120.270 119.300 0.044 0.000 2.413 348 C HA 0.008 4.515 4.460 0.079 0.000 0.276 348 C C 2.717 177.737 174.990 0.049 0.000 1.248 348 C CA 0.306 59.377 59.018 0.088 0.000 1.742 348 C CB -1.261 26.617 27.740 0.229 0.000 2.017 348 C HN 0.398 nan 8.230 nan 0.000 0.481 349 L N 0.102 121.351 121.223 0.042 0.000 2.017 349 L HA -0.132 4.256 4.340 0.079 0.000 0.208 349 L C 2.635 179.394 176.870 -0.185 0.000 1.073 349 L CA 1.495 56.322 54.840 -0.022 0.000 0.745 349 L CB -0.778 41.316 42.059 0.058 0.000 0.894 349 L HN 0.232 nan 8.230 nan 0.000 0.432 350 V N 0.182 120.034 119.914 -0.103 0.000 2.255 350 V HA -0.343 3.825 4.120 0.079 0.000 0.247 350 V C 2.793 178.794 176.094 -0.155 0.000 1.051 350 V CA 1.950 64.184 62.300 -0.109 0.000 1.018 350 V CB -1.032 30.766 31.823 -0.042 0.000 0.641 350 V HN 0.507 nan 8.190 nan 0.000 0.445 351 A N -0.411 122.343 122.820 -0.110 0.000 1.892 351 A HA -0.235 4.132 4.320 0.079 0.000 0.218 351 A C 2.272 179.741 177.584 -0.193 0.000 1.188 351 A CA 2.213 54.187 52.037 -0.105 0.000 0.631 351 A CB -0.706 18.265 19.000 -0.048 0.000 0.822 351 A HN 0.484 nan 8.150 nan 0.000 0.447 352 L N -0.928 120.132 121.223 -0.272 0.000 2.013 352 L HA -0.284 4.103 4.340 0.079 0.000 0.212 352 L C 3.131 179.530 176.870 -0.784 0.000 1.073 352 L CA 1.377 55.934 54.840 -0.472 0.000 0.753 352 L CB -0.480 41.271 42.059 -0.513 0.000 0.890 352 L HN 0.486 nan 8.230 nan 0.000 0.432 353 A N -0.095 122.123 122.820 -1.003 0.000 1.902 353 A HA -0.205 4.163 4.320 0.079 0.000 0.217 353 A C 2.150 179.545 177.584 -0.314 0.000 1.181 353 A CA 1.628 53.124 52.037 -0.902 0.000 0.623 353 A CB -0.685 17.886 19.000 -0.715 0.000 0.818 353 A HN 0.393 nan 8.150 nan 0.000 0.443 354 I N -0.397 120.038 120.570 -0.225 0.000 2.163 354 I HA -0.284 3.934 4.170 0.079 0.000 0.243 354 I C 2.400 178.475 176.117 -0.070 0.000 1.085 354 I CA 1.237 62.481 61.300 -0.092 0.000 1.347 354 I CB -0.336 37.627 38.000 -0.062 0.000 1.044 354 I HN 0.302 nan 8.210 nan 0.000 0.408 355 L N 0.159 121.321 121.223 -0.103 0.000 2.017 355 L HA -0.264 4.123 4.340 0.079 0.000 0.208 355 L C 2.251 179.106 176.870 -0.025 0.000 1.073 355 L CA 1.769 56.572 54.840 -0.062 0.000 0.745 355 L CB -0.692 41.321 42.059 -0.076 0.000 0.894 355 L HN 0.259 nan 8.230 nan 0.000 0.432 356 D N -0.420 119.966 120.400 -0.023 0.000 2.104 356 D HA -0.245 4.442 4.640 0.079 0.000 0.194 356 D C 2.215 178.567 176.300 0.087 0.000 0.994 356 D CA 1.970 56.021 54.000 0.085 0.000 0.830 356 D CB 0.068 41.024 40.800 0.259 0.000 0.959 356 D HN 0.320 nan 8.370 nan 0.000 0.452 357 T N -1.933 112.664 114.554 0.072 0.000 2.867 357 T HA -0.096 4.302 4.350 0.079 0.000 0.268 357 T C 1.776 176.502 174.700 0.043 0.000 1.057 357 T CA 1.051 63.192 62.100 0.068 0.000 1.136 357 T CB -0.535 68.373 68.868 0.067 0.000 0.874 357 T HN -0.002 nan 8.240 nan 0.000 0.466 358 V N 1.448 121.378 119.914 0.026 0.000 3.602 358 V HA 0.378 4.545 4.120 0.079 0.000 0.289 358 V C 1.673 177.778 176.094 0.017 0.000 1.265 358 V CA 0.518 62.828 62.300 0.017 0.000 1.202 358 V CB -1.131 30.696 31.823 0.006 0.000 1.012 358 V HN 0.930 nan 8.190 nan 0.000 0.431 359 G N 0.475 109.292 108.800 0.029 0.000 2.256 359 G HA2 -0.193 3.815 3.960 0.079 0.000 0.272 359 G HA3 -0.193 3.815 3.960 0.079 0.000 0.272 359 G C -0.123 174.792 174.900 0.025 0.000 1.076 359 G CA 0.280 45.398 45.100 0.030 0.000 0.882 359 G HN 0.478 nan 8.290 nan 0.000 0.497 360 V N 1.010 120.938 119.914 0.023 0.000 2.443 360 V HA 0.681 4.849 4.120 0.079 0.000 0.293 360 V C 0.772 176.881 176.094 0.025 0.000 1.021 360 V CA -0.273 62.036 62.300 0.016 0.000 0.848 360 V CB 1.706 33.527 31.823 -0.003 0.000 0.998 360 V HN 1.034 nan 8.190 nan 0.000 0.424 361 S N 5.506 121.228 115.700 0.036 0.000 2.603 361 S HA 0.383 4.900 4.470 0.079 0.000 0.268 361 S C -1.707 172.897 174.600 0.006 0.000 1.317 361 S CA -0.916 57.312 58.200 0.047 0.000 1.012 361 S CB 1.374 64.614 63.200 0.067 0.000 0.926 361 S HN 0.496 nan 8.310 nan 0.000 0.539 362 P HA 0.032 nan 4.420 nan 0.000 0.218 362 P C 1.822 179.114 177.300 -0.012 0.000 1.149 362 P CA 2.013 65.050 63.100 -0.104 0.000 0.817 362 P CB -0.388 31.081 31.700 -0.385 0.000 0.785 363 E N 0.610 120.844 120.200 0.055 0.000 2.070 363 E HA -0.310 4.088 4.350 0.079 0.000 0.197 363 E C 1.954 178.578 176.600 0.040 0.000 1.004 363 E CA 1.858 58.304 56.400 0.078 0.000 0.805 363 E CB -1.794 27.964 29.700 0.096 0.000 0.744 363 E HN 0.461 nan 8.360 nan 0.000 0.451 364 Q N -0.857 118.960 119.800 0.028 0.000 2.167 364 Q HA 0.157 4.544 4.340 0.079 0.000 0.202 364 Q C 2.458 178.462 176.000 0.007 0.000 0.970 364 Q CA 1.278 57.091 55.803 0.017 0.000 0.855 364 Q CB 0.046 28.793 28.738 0.015 0.000 0.911 364 Q HN 0.587 nan 8.270 nan 0.000 0.438 365 A N -0.074 122.745 122.820 -0.002 0.000 2.044 365 A HA 0.023 4.391 4.320 0.079 0.000 0.213 365 A C 2.115 179.696 177.584 -0.005 0.000 1.169 365 A CA 0.156 52.187 52.037 -0.010 0.000 0.724 365 A CB -0.326 18.657 19.000 -0.028 0.000 0.840 365 A HN 0.215 nan 8.150 nan 0.000 0.463 366 V N 1.089 121.002 119.914 -0.001 0.000 2.392 366 V HA -0.147 4.021 4.120 0.079 0.000 0.249 366 V C -0.548 175.551 176.094 0.009 0.000 1.059 366 V CA 2.650 64.951 62.300 0.001 0.000 1.051 366 V CB -0.673 31.157 31.823 0.012 0.000 0.658 366 V HN 0.411 nan 8.190 nan 0.000 0.455 367 P HA -0.041 nan 4.420 nan 0.000 0.216 367 P C 1.698 179.005 177.300 0.013 0.000 1.153 367 P CA 1.662 64.769 63.100 0.012 0.000 0.844 367 P CB -0.419 31.287 31.700 0.010 0.000 0.787 368 G N 0.319 109.126 108.800 0.010 0.000 2.433 368 G HA2 -0.232 3.775 3.960 0.079 0.000 0.216 368 G HA3 -0.232 3.775 3.960 0.079 0.000 0.216 368 G C 1.338 176.251 174.900 0.022 0.000 1.186 368 G CA 0.654 45.762 45.100 0.013 0.000 0.779 368 G HN 0.102 nan 8.290 nan 0.000 0.543 369 L N 0.715 121.950 121.223 0.020 0.000 2.043 369 L HA -0.046 4.342 4.340 0.079 0.000 0.212 369 L C 2.736 179.630 176.870 0.040 0.000 1.075 369 L CA 1.502 56.361 54.840 0.032 0.000 0.752 369 L CB -1.124 40.949 42.059 0.024 0.000 0.891 369 L HN 0.254 nan 8.230 nan 0.000 0.432 370 R N -0.490 120.029 120.500 0.030 0.000 2.103 370 R HA -0.177 4.210 4.340 0.079 0.000 0.242 370 R C 1.979 178.301 176.300 0.036 0.000 1.142 370 R CA 1.523 57.643 56.100 0.033 0.000 0.960 370 R CB 0.153 30.468 30.300 0.025 0.000 0.858 370 R HN 0.406 nan 8.270 nan 0.000 0.439 371 E N 0.281 120.501 120.200 0.033 0.000 2.127 371 E HA -0.052 4.346 4.350 0.079 0.000 0.191 371 E C 0.675 177.299 176.600 0.039 0.000 0.964 371 E CA -0.119 56.300 56.400 0.032 0.000 0.832 371 E CB -0.313 29.402 29.700 0.026 0.000 0.790 371 E HN 0.202 nan 8.360 nan 0.000 0.465 372 I N 2.733 123.332 120.570 0.048 0.000 2.919 372 I HA -0.168 4.050 4.170 0.079 0.000 0.299 372 I C 0.437 176.588 176.117 0.057 0.000 1.221 372 I CA 0.665 62.004 61.300 0.065 0.000 1.424 372 I CB 0.197 38.251 38.000 0.090 0.000 1.358 372 I HN -0.147 nan 8.210 nan 0.000 0.551 373 R N 7.613 128.141 120.500 0.047 0.000 2.337 373 R HA 0.442 4.829 4.340 0.079 0.000 0.319 373 R C -1.547 174.738 176.300 -0.026 0.000 0.954 373 R CA -0.693 55.416 56.100 0.015 0.000 0.840 373 R CB 1.385 31.692 30.300 0.012 0.000 1.164 373 R HN 0.553 nan 8.270 nan 0.000 0.472 374 V N 6.562 126.425 119.914 -0.084 0.000 2.461 374 V HA 0.458 4.626 4.120 0.079 0.000 0.275 374 V C -2.233 173.690 176.094 -0.285 0.000 1.047 374 V CA -2.119 60.001 62.300 -0.300 0.000 0.955 374 V CB 1.308 32.936 31.823 -0.326 0.000 0.988 374 V HN 0.710 nan 8.190 nan 0.000 0.471 375 P HA 0.299 nan 4.420 nan 0.000 0.276 375 P C 0.800 178.003 177.300 -0.160 0.000 1.235 375 P CA 1.200 64.185 63.100 -0.191 0.000 0.772 375 P CB 1.183 32.789 31.700 -0.157 0.000 0.871 376 G N 2.624 111.391 108.800 -0.056 0.000 2.189 376 G HA2 -0.229 3.779 3.960 0.079 0.000 0.267 376 G HA3 -0.229 3.779 3.960 0.079 0.000 0.267 376 G C 0.078 174.973 174.900 -0.007 0.000 0.975 376 G CA -0.170 44.929 45.100 -0.001 0.000 0.644 376 G HN 0.594 nan 8.290 nan 0.000 0.537 377 R N -0.134 120.336 120.500 -0.050 0.000 2.320 377 R HA 0.501 4.889 4.340 0.079 0.000 0.319 377 R C 0.705 177.017 176.300 0.021 0.000 0.969 377 R CA -1.491 54.602 56.100 -0.012 0.000 0.857 377 R CB 0.675 30.939 30.300 -0.060 0.000 1.160 377 R HN 0.353 nan 8.270 nan 0.000 0.491 378 L N 1.088 122.347 121.223 0.060 0.000 4.061 378 L HA -0.252 4.136 4.340 0.079 0.000 0.466 378 L C 0.532 177.427 176.870 0.041 0.000 1.140 378 L CA 1.093 55.971 54.840 0.062 0.000 0.764 378 L CB -1.717 40.385 42.059 0.072 0.000 1.688 378 L HN 0.690 nan 8.230 nan 0.000 0.855 379 E N 1.182 121.402 120.200 0.033 0.000 2.217 379 E HA 0.169 4.567 4.350 0.079 0.000 0.279 379 E C 0.373 176.996 176.600 0.037 0.000 1.068 379 E CA -0.401 56.012 56.400 0.022 0.000 0.882 379 E CB 0.492 30.198 29.700 0.009 0.000 1.039 379 E HN 0.501 nan 8.360 nan 0.000 0.418 380 Q N 4.674 124.494 119.800 0.033 0.000 2.274 380 Q HA 0.322 4.710 4.340 0.079 0.000 0.256 380 Q C -0.236 175.781 176.000 0.027 0.000 0.927 380 Q CA -0.630 55.196 55.803 0.038 0.000 0.939 380 Q CB 1.228 29.987 28.738 0.036 0.000 1.201 380 Q HN 0.382 nan 8.270 nan 0.000 0.426 381 I N 3.483 124.072 120.570 0.032 0.000 2.331 381 I HA 0.102 4.319 4.170 0.079 0.000 0.292 381 I C 0.423 176.537 176.117 -0.005 0.000 0.998 381 I CA -0.388 60.922 61.300 0.016 0.000 1.267 381 I CB 1.073 39.090 38.000 0.027 0.000 1.386 381 I HN 0.873 nan 8.210 nan 0.000 0.476 382 D N 5.228 125.614 120.400 -0.024 0.000 2.582 382 D HA 0.014 4.702 4.640 0.079 0.000 0.246 382 D C 0.348 176.610 176.300 -0.064 0.000 1.334 382 D CA -0.488 53.478 54.000 -0.056 0.000 0.805 382 D CB 0.231 41.003 40.800 -0.047 0.000 1.087 382 D HN 0.356 nan 8.370 nan 0.000 0.499 383 R N 1.125 121.598 120.500 -0.046 0.000 2.486 383 R HA 0.284 4.672 4.340 0.079 0.000 0.304 383 R C 1.269 177.526 176.300 -0.073 0.000 0.913 383 R CA 1.537 57.609 56.100 -0.046 0.000 1.124 383 R CB -0.142 30.139 30.300 -0.030 0.000 0.891 383 R HN 0.433 nan 8.270 nan 0.000 0.410 384 G N 0.446 109.204 108.800 -0.070 0.000 2.488 384 G HA2 -0.071 3.936 3.960 0.079 0.000 0.237 384 G HA3 -0.071 3.936 3.960 0.079 0.000 0.237 384 G C -0.669 174.159 174.900 -0.121 0.000 1.209 384 G CA -0.012 45.034 45.100 -0.091 0.000 0.929 384 G HN 0.927 nan 8.290 nan 0.000 0.578 385 Q N -2.573 117.123 119.800 -0.173 0.000 2.737 385 Q HA 0.943 5.330 4.340 0.079 0.000 0.307 385 Q C 1.053 176.871 176.000 -0.304 0.000 0.905 385 Q CA 0.913 56.603 55.803 -0.189 0.000 0.753 385 Q CB 0.690 29.364 28.738 -0.107 0.000 1.463 385 Q HN 2.932 nan 8.270 nan 0.000 0.455 386 G N -1.151 107.510 108.800 -0.232 0.000 2.472 386 G HA2 0.282 4.290 3.960 0.079 0.000 0.217 386 G HA3 0.282 4.290 3.960 0.079 0.000 0.217 386 G C 0.012 174.869 174.900 -0.071 0.000 2.125 386 G CA 0.661 45.658 45.100 -0.170 0.000 1.637 386 G HN 1.994 nan 8.290 nan 0.000 0.548 387 F N -0.066 119.885 119.950 0.002 0.000 2.613 387 F HA 0.915 5.489 4.527 0.078 0.000 0.342 387 F C -0.252 175.565 175.800 0.030 0.000 1.066 387 F CA -1.845 56.163 58.000 0.013 0.000 1.002 387 F CB 0.917 39.928 39.000 0.019 0.000 1.319 387 F HN 0.295 nan 8.300 nan 0.000 0.495 388 L N 2.272 123.680 121.223 0.309 0.000 2.278 388 L HA 0.602 4.990 4.340 0.079 0.000 0.287 388 L C -0.263 176.784 176.870 0.296 0.000 1.072 388 L CA -0.910 54.053 54.840 0.204 0.000 0.819 388 L CB -0.194 41.952 42.059 0.145 0.000 1.176 388 L HN 0.848 nan 8.230 nan 0.000 0.435 389 A N 5.961 128.914 122.820 0.222 0.000 2.258 389 A HA 0.713 5.081 4.320 0.079 0.000 0.316 389 A C -1.008 176.658 177.584 0.137 0.000 1.279 389 A CA -0.433 51.742 52.037 0.229 0.000 0.876 389 A CB 0.521 19.662 19.000 0.236 0.000 1.170 389 A HN 0.536 nan 8.150 nan 0.000 0.520 390 L N 2.463 123.765 121.223 0.131 0.000 2.370 390 L HA 0.628 5.015 4.340 0.079 0.000 0.266 390 L C -0.415 176.514 176.870 0.098 0.000 1.002 390 L CA -0.427 54.472 54.840 0.099 0.000 0.818 390 L CB 2.291 44.405 42.059 0.092 0.000 1.325 390 L HN 0.423 nan 8.230 nan 0.000 0.418 391 V N 1.753 121.719 119.914 0.085 0.000 2.495 391 V HA 0.654 4.821 4.120 0.079 0.000 0.298 391 V C -1.098 175.050 176.094 0.090 0.000 1.031 391 V CA -0.492 61.863 62.300 0.092 0.000 0.871 391 V CB 1.857 33.732 31.823 0.086 0.000 0.988 391 V HN 0.767 nan 8.190 nan 0.000 0.432 392 D N 1.548 122.011 120.400 0.104 0.000 2.753 392 D HA 0.281 4.968 4.640 0.079 0.000 0.224 392 D C -0.268 176.115 176.300 0.138 0.000 1.213 392 D CA -0.508 53.557 54.000 0.108 0.000 0.833 392 D CB 1.696 42.547 40.800 0.086 0.000 1.607 392 D HN 0.387 nan 8.370 nan 0.000 0.463 393 Y N 2.607 122.879 120.300 -0.047 0.000 2.544 393 Y HA 0.387 4.965 4.550 0.046 0.000 0.286 393 Y C 0.743 176.494 175.900 -0.248 0.000 1.141 393 Y CA 0.396 58.420 58.100 -0.126 0.000 1.299 393 Y CB -0.345 38.029 38.460 -0.143 0.000 1.030 393 Y HN 0.493 nan 8.280 nan 0.000 0.543 394 A N 1.549 124.276 122.820 -0.155 0.000 2.532 394 A HA -0.057 4.311 4.320 0.079 0.000 0.269 394 A C 0.292 177.776 177.584 -0.168 0.000 1.079 394 A CA 0.930 52.856 52.037 -0.184 0.000 0.800 394 A CB -0.921 18.023 19.000 -0.093 0.000 1.000 394 A HN 0.666 nan 8.150 nan 0.000 0.522 395 H N 0.521 119.407 119.070 -0.308 0.000 3.058 395 H HA 0.500 5.093 4.556 0.061 0.000 0.266 395 H C 0.175 175.373 175.328 -0.217 0.000 1.135 395 H CA 0.297 56.182 56.048 -0.273 0.000 1.174 395 H CB -0.989 28.564 29.762 -0.349 0.000 1.581 395 H HN 0.720 nan 8.280 nan 0.000 0.553 396 K N 1.299 121.686 120.400 -0.022 0.000 2.385 396 K HA 0.509 4.877 4.320 0.079 0.000 0.248 396 K C -2.484 174.049 176.600 -0.112 0.000 0.955 396 K CA -1.968 54.232 56.287 -0.146 0.000 0.816 396 K CB 1.159 33.535 32.500 -0.206 0.000 1.250 396 K HN -0.098 nan 8.250 nan 0.000 0.434 397 P HA -0.196 nan 4.420 nan 0.000 0.216 397 P C 1.705 178.959 177.300 -0.076 0.000 1.153 397 P CA 2.373 65.417 63.100 -0.094 0.000 0.858 397 P CB 0.256 31.916 31.700 -0.067 0.000 0.789 398 E N -0.052 120.112 120.200 -0.061 0.000 2.051 398 E HA -0.181 4.217 4.350 0.079 0.000 0.192 398 E C 2.160 178.731 176.600 -0.047 0.000 0.991 398 E CA 1.671 58.046 56.400 -0.041 0.000 0.799 398 E CB -1.691 27.994 29.700 -0.024 0.000 0.748 398 E HN 0.245 nan 8.360 nan 0.000 0.449 399 A N 0.333 123.122 122.820 -0.052 0.000 1.884 399 A HA -0.044 4.324 4.320 0.079 0.000 0.219 399 A C 2.520 180.065 177.584 -0.065 0.000 1.197 399 A CA 2.098 54.102 52.037 -0.055 0.000 0.637 399 A CB -0.685 18.302 19.000 -0.021 0.000 0.827 399 A HN 0.647 nan 8.150 nan 0.000 0.450 400 L N -0.007 121.158 121.223 -0.098 0.000 1.994 400 L HA -0.165 4.223 4.340 0.079 0.000 0.208 400 L C 2.583 179.407 176.870 -0.077 0.000 1.071 400 L CA 2.676 57.436 54.840 -0.134 0.000 0.745 400 L CB -0.661 41.248 42.059 -0.250 0.000 0.892 400 L HN 0.561 nan 8.230 nan 0.000 0.431 401 R N -0.263 120.202 120.500 -0.059 0.000 2.094 401 R HA -0.218 4.169 4.340 0.079 0.000 0.239 401 R C 2.358 178.667 176.300 0.014 0.000 1.137 401 R CA 2.431 58.517 56.100 -0.023 0.000 0.943 401 R CB -0.906 29.383 30.300 -0.019 0.000 0.850 401 R HN 0.644 nan 8.270 nan 0.000 0.433 402 S N 0.026 115.741 115.700 0.026 0.000 2.356 402 S HA -0.118 4.400 4.470 0.079 0.000 0.223 402 S C 2.107 176.823 174.600 0.193 0.000 1.032 402 S CA 1.375 59.631 58.200 0.093 0.000 1.005 402 S CB -0.797 62.431 63.200 0.046 0.000 0.867 402 S HN 0.205 nan 8.310 nan 0.000 0.449 403 V N 2.843 122.858 119.914 0.169 0.000 2.231 403 V HA -0.180 3.988 4.120 0.079 0.000 0.248 403 V C 2.681 178.834 176.094 0.098 0.000 1.054 403 V CA 2.072 64.489 62.300 0.195 0.000 1.015 403 V CB -1.112 30.782 31.823 0.119 0.000 0.638 403 V HN 0.477 nan 8.190 nan 0.000 0.444 404 L N -0.038 121.214 121.223 0.049 0.000 2.127 404 L HA -0.207 4.181 4.340 0.079 0.000 0.211 404 L C 2.599 179.493 176.870 0.039 0.000 1.089 404 L CA 2.116 56.977 54.840 0.034 0.000 0.757 404 L CB -1.106 40.960 42.059 0.012 0.000 0.899 404 L HN 0.469 nan 8.230 nan 0.000 0.434 405 T N -1.429 113.150 114.554 0.042 0.000 2.770 405 T HA -0.135 4.262 4.350 0.079 0.000 0.263 405 T C 1.847 176.556 174.700 0.014 0.000 1.039 405 T CA 1.767 63.886 62.100 0.032 0.000 1.142 405 T CB -0.484 68.406 68.868 0.035 0.000 0.868 405 T HN 0.496 nan 8.240 nan 0.000 0.435 406 T N 0.764 115.322 114.554 0.006 0.000 2.977 406 T HA 0.030 4.428 4.350 0.079 0.000 0.271 406 T C 1.523 176.188 174.700 -0.058 0.000 1.105 406 T CA 0.691 62.744 62.100 -0.079 0.000 1.116 406 T CB -0.292 68.421 68.868 -0.258 0.000 0.878 406 T HN 0.119 nan 8.240 nan 0.000 0.509 407 L N 0.198 121.419 121.223 -0.004 0.000 2.664 407 L HA 0.549 4.937 4.340 0.079 0.000 0.233 407 L C 1.231 178.139 176.870 0.063 0.000 1.113 407 L CA -0.062 54.795 54.840 0.027 0.000 0.896 407 L CB -0.107 41.977 42.059 0.042 0.000 1.163 407 L HN 0.289 nan 8.230 nan 0.000 0.497 408 A N -0.900 121.954 122.820 0.056 0.000 2.320 408 A HA 0.449 4.816 4.320 0.079 0.000 0.287 408 A C -0.741 176.911 177.584 0.113 0.000 1.181 408 A CA -0.004 52.082 52.037 0.082 0.000 0.831 408 A CB -0.261 18.775 19.000 0.060 0.000 1.102 408 A HN 0.409 nan 8.150 nan 0.000 0.513 409 H N 3.498 122.585 119.070 0.028 0.000 2.782 409 H HA 0.463 5.067 4.556 0.079 0.000 0.347 409 H C -2.624 172.720 175.328 0.027 0.000 1.038 409 H CA -2.100 53.962 56.048 0.023 0.000 1.255 409 H CB 2.078 31.852 29.762 0.021 0.000 1.623 409 H HN 0.526 nan 8.280 nan 0.000 0.525 410 P HA -0.026 nan 4.420 nan 0.000 0.269 410 P C -0.239 177.117 177.300 0.093 0.000 1.217 410 P CA 0.379 63.598 63.100 0.199 0.000 0.783 410 P CB 0.592 32.394 31.700 0.170 0.000 0.898 411 D N -1.308 119.099 120.400 0.012 0.000 3.076 411 D HA -0.167 4.520 4.640 0.079 0.000 0.218 411 D C 0.210 176.439 176.300 -0.118 0.000 1.156 411 D CA 1.286 55.245 54.000 -0.067 0.000 0.921 411 D CB -0.773 39.962 40.800 -0.108 0.000 1.113 411 D HN 0.605 nan 8.370 nan 0.000 0.418 412 R N -0.147 120.316 120.500 -0.063 0.000 2.566 412 R HA 0.514 4.901 4.340 0.079 0.000 0.271 412 R C -1.066 175.255 176.300 0.035 0.000 1.071 412 R CA -0.658 55.417 56.100 -0.041 0.000 0.915 412 R CB 1.359 31.621 30.300 -0.062 0.000 1.228 412 R HN -0.136 nan 8.270 nan 0.000 0.449 413 R N 2.646 123.172 120.500 0.043 0.000 2.486 413 R HA 0.475 4.863 4.340 0.079 0.000 0.286 413 R C -0.823 175.642 176.300 0.274 0.000 0.999 413 R CA -0.537 55.655 56.100 0.154 0.000 0.993 413 R CB 1.395 31.737 30.300 0.071 0.000 1.084 413 R HN 0.421 nan 8.270 nan 0.000 0.487 414 L N 2.238 123.653 121.223 0.321 0.000 2.372 414 L HA 0.542 4.929 4.340 0.079 0.000 0.273 414 L C -0.954 175.975 176.870 0.098 0.000 0.989 414 L CA -0.583 54.390 54.840 0.221 0.000 0.841 414 L CB 1.576 43.711 42.059 0.127 0.000 1.225 414 L HN 0.758 nan 8.230 nan 0.000 0.414 415 A N 4.764 127.571 122.820 -0.022 0.000 2.309 415 A HA 0.727 5.095 4.320 0.079 0.000 0.298 415 A C -0.790 176.723 177.584 -0.117 0.000 1.165 415 A CA -0.387 51.429 52.037 -0.368 0.000 0.821 415 A CB 1.256 19.769 19.000 -0.812 0.000 1.102 415 A HN 0.424 nan 8.150 nan 0.000 0.500 416 V N 3.106 122.967 119.914 -0.088 0.000 2.487 416 V HA 0.546 4.714 4.120 0.079 0.000 0.298 416 V C -0.235 175.910 176.094 0.085 0.000 1.028 416 V CA -0.597 61.732 62.300 0.048 0.000 0.860 416 V CB 1.361 33.255 31.823 0.119 0.000 0.991 416 V HN 0.941 nan 8.190 nan 0.000 0.427 417 V N 7.106 127.090 119.914 0.117 0.000 2.448 417 V HA 0.952 5.120 4.120 0.079 0.000 0.295 417 V C -0.978 175.249 176.094 0.221 0.000 1.025 417 V CA -0.345 62.009 62.300 0.089 0.000 0.859 417 V CB 1.223 33.063 31.823 0.030 0.000 0.988 417 V HN 0.940 nan 8.190 nan 0.000 0.431 418 F N 3.765 123.698 119.950 -0.028 0.000 2.817 418 F HA 1.021 5.597 4.527 0.082 0.000 0.317 418 F C -0.278 175.498 175.800 -0.041 0.000 1.168 418 F CA -0.132 57.853 58.000 -0.025 0.000 0.911 418 F CB 1.001 39.990 39.000 -0.018 0.000 1.337 418 F HN 0.914 nan 8.300 nan 0.000 0.464 419 G N -0.288 108.526 108.800 0.024 0.000 2.721 419 G HA2 0.840 4.848 3.960 0.079 0.000 0.296 419 G HA3 0.840 4.848 3.960 0.079 0.000 0.296 419 G C -2.254 172.720 174.900 0.124 0.000 1.383 419 G CA -0.546 44.504 45.100 -0.084 0.000 0.788 419 G HN 1.327 nan 8.290 nan 0.000 0.500 420 A N -1.323 121.522 122.820 0.041 0.000 2.384 420 A HA 0.892 5.259 4.320 0.079 0.000 0.312 420 A C 0.232 177.819 177.584 0.005 0.000 1.113 420 A CA -0.025 52.043 52.037 0.052 0.000 0.779 420 A CB 1.556 20.587 19.000 0.052 0.000 1.307 420 A HN 1.781 nan 8.150 nan 0.000 0.436 421 G N 0.144 108.945 108.800 0.002 0.000 2.353 421 G HA2 0.507 4.515 3.960 0.079 0.000 0.284 421 G HA3 0.507 4.515 3.960 0.079 0.000 0.284 421 G C 0.436 175.327 174.900 -0.015 0.000 1.172 421 G CA 0.271 45.366 45.100 -0.009 0.000 0.854 421 G HN 1.123 nan 8.290 nan 0.000 0.485 422 G N 0.764 109.554 108.800 -0.018 0.000 2.569 422 G HA2 0.384 4.392 3.960 0.079 0.000 0.249 422 G HA3 0.384 4.392 3.960 0.079 0.000 0.249 422 G C 0.326 175.218 174.900 -0.013 0.000 1.216 422 G CA 0.272 45.361 45.100 -0.017 0.000 0.845 422 G HN 0.676 nan 8.290 nan 0.000 0.568 423 D N -1.584 118.809 120.400 -0.012 0.000 3.028 423 D HA -0.145 4.543 4.640 0.079 0.000 0.211 423 D C 0.966 177.260 176.300 -0.009 0.000 1.136 423 D CA 1.468 55.463 54.000 -0.008 0.000 0.987 423 D CB -0.313 40.484 40.800 -0.005 0.000 1.128 423 D HN 0.293 nan 8.370 nan 0.000 0.406 424 R N 0.398 120.889 120.500 -0.015 0.000 2.596 424 R HA 0.389 4.777 4.340 0.079 0.000 0.267 424 R C -0.305 175.979 176.300 -0.027 0.000 1.026 424 R CA -1.057 55.030 56.100 -0.022 0.000 1.087 424 R CB 0.158 30.440 30.300 -0.030 0.000 1.132 424 R HN -0.058 nan 8.270 nan 0.000 0.531 425 D N 2.131 122.509 120.400 -0.036 0.000 5.044 425 D HA -0.096 4.592 4.640 0.079 0.000 0.263 425 D C -1.398 174.882 176.300 -0.034 0.000 1.567 425 D CA -0.134 53.843 54.000 -0.038 0.000 1.204 425 D CB 0.285 41.048 40.800 -0.062 0.000 1.347 425 D HN 0.193 nan 8.370 nan 0.000 0.758 426 P HA -0.014 nan 4.420 nan 0.000 0.228 426 P C 1.422 178.711 177.300 -0.017 0.000 1.151 426 P CA 0.687 63.776 63.100 -0.018 0.000 0.770 426 P CB 0.260 31.951 31.700 -0.014 0.000 0.786 427 G N 1.391 110.178 108.800 -0.021 0.000 2.443 427 G HA2 -0.251 3.757 3.960 0.079 0.000 0.219 427 G HA3 -0.251 3.757 3.960 0.079 0.000 0.219 427 G C 1.375 176.261 174.900 -0.022 0.000 1.131 427 G CA 0.767 45.855 45.100 -0.020 0.000 0.775 427 G HN 0.415 nan 8.290 nan 0.000 0.547 428 K N 0.408 120.790 120.400 -0.031 0.000 2.365 428 K HA 0.105 4.473 4.320 0.079 0.000 0.199 428 K C 2.267 178.862 176.600 -0.008 0.000 1.045 428 K CA 0.282 56.547 56.287 -0.036 0.000 0.962 428 K CB -0.129 32.331 32.500 -0.066 0.000 0.759 428 K HN 0.209 nan 8.250 nan 0.000 0.469 429 R N 1.051 121.554 120.500 0.006 0.000 2.064 429 R HA -0.032 4.356 4.340 0.079 0.000 0.228 429 R C 2.645 178.973 176.300 0.048 0.000 1.144 429 R CA 1.450 57.572 56.100 0.037 0.000 0.932 429 R CB -0.796 29.516 30.300 0.020 0.000 0.833 429 R HN 0.296 nan 8.270 nan 0.000 0.429 430 A N 1.749 124.583 122.820 0.023 0.000 1.940 430 A HA -0.093 4.274 4.320 0.079 0.000 0.219 430 A C -0.396 177.202 177.584 0.024 0.000 1.176 430 A CA 1.210 53.260 52.037 0.021 0.000 0.631 430 A CB -1.344 17.660 19.000 0.007 0.000 0.814 430 A HN 0.212 nan 8.150 nan 0.000 0.446 431 P HA -0.159 nan 4.420 nan 0.000 0.215 431 P C 1.759 179.067 177.300 0.014 0.000 1.157 431 P CA 1.294 64.397 63.100 0.006 0.000 0.863 431 P CB -0.219 31.474 31.700 -0.012 0.000 0.787 432 M N -1.184 118.431 119.600 0.024 0.000 2.080 432 M HA -0.109 4.418 4.480 0.079 0.000 0.260 432 M C 2.319 178.690 176.300 0.118 0.000 1.068 432 M CA 2.317 57.625 55.300 0.014 0.000 1.109 432 M CB -1.643 30.963 32.600 0.010 0.000 1.342 432 M HN 0.011 nan 8.290 nan 0.000 0.405 433 G N 0.187 109.109 108.800 0.203 0.000 2.469 433 G HA2 -0.307 3.701 3.960 0.079 0.000 0.220 433 G HA3 -0.307 3.701 3.960 0.079 0.000 0.220 433 G C 1.727 176.688 174.900 0.102 0.000 1.136 433 G CA 1.791 47.007 45.100 0.193 0.000 0.759 433 G HN 0.519 nan 8.290 nan 0.000 0.562 434 R N 0.693 121.229 120.500 0.059 0.000 2.070 434 R HA 0.112 4.500 4.340 0.079 0.000 0.233 434 R C 2.531 178.848 176.300 0.028 0.000 1.137 434 R CA 1.623 57.743 56.100 0.033 0.000 0.945 434 R CB -1.144 29.168 30.300 0.019 0.000 0.845 434 R HN 0.458 nan 8.270 nan 0.000 0.430 435 I N 0.997 121.576 120.570 0.016 0.000 2.208 435 I HA -0.266 3.951 4.170 0.079 0.000 0.245 435 I C 3.096 179.217 176.117 0.007 0.000 1.097 435 I CA 1.556 62.854 61.300 -0.003 0.000 1.363 435 I CB -0.396 37.582 38.000 -0.036 0.000 1.051 435 I HN 0.505 nan 8.210 nan 0.000 0.413 436 A N 0.748 123.587 122.820 0.032 0.000 1.865 436 A HA -0.205 4.163 4.320 0.079 0.000 0.217 436 A C 2.577 180.200 177.584 0.065 0.000 1.191 436 A CA 2.043 54.126 52.037 0.077 0.000 0.623 436 A CB -1.124 18.026 19.000 0.250 0.000 0.826 436 A HN 0.427 nan 8.150 nan 0.000 0.444 437 A N -1.216 121.640 122.820 0.060 0.000 1.948 437 A HA -0.269 4.098 4.320 0.079 0.000 0.220 437 A C 2.189 179.792 177.584 0.030 0.000 1.177 437 A CA 1.951 54.011 52.037 0.037 0.000 0.636 437 A CB -0.530 18.488 19.000 0.030 0.000 0.815 437 A HN 0.676 nan 8.150 nan 0.000 0.449 438 Q N -1.309 118.507 119.800 0.028 0.000 2.212 438 Q HA 0.084 4.471 4.340 0.079 0.000 0.199 438 Q C 1.498 177.514 176.000 0.027 0.000 0.950 438 Q CA 0.971 56.788 55.803 0.024 0.000 0.863 438 Q CB 0.055 28.803 28.738 0.018 0.000 0.944 438 Q HN 0.662 nan 8.270 nan 0.000 0.465 439 L N -0.583 120.656 121.223 0.027 0.000 2.638 439 L HA 0.363 4.751 4.340 0.079 0.000 0.232 439 L C 0.390 177.284 176.870 0.039 0.000 1.099 439 L CA -0.190 54.668 54.840 0.030 0.000 0.883 439 L CB 0.979 43.051 42.059 0.022 0.000 1.136 439 L HN -0.014 nan 8.230 nan 0.000 0.492 440 A N -0.776 122.066 122.820 0.037 0.000 2.322 440 A HA 0.461 4.828 4.320 0.079 0.000 0.327 440 A C -0.294 177.314 177.584 0.040 0.000 1.134 440 A CA -0.401 51.657 52.037 0.035 0.000 0.831 440 A CB 0.813 19.823 19.000 0.016 0.000 1.288 440 A HN 0.143 nan 8.150 nan 0.000 0.472 441 D N -0.488 119.946 120.400 0.057 0.000 2.262 441 D HA 0.153 4.841 4.640 0.079 0.000 0.212 441 D C 0.088 176.399 176.300 0.018 0.000 0.964 441 D CA 0.506 54.567 54.000 0.103 0.000 0.875 441 D CB 0.383 41.335 40.800 0.254 0.000 0.996 441 D HN 0.233 nan 8.370 nan 0.000 0.497 442 L N 1.739 122.847 121.223 -0.192 0.000 2.376 442 L HA 0.479 4.867 4.340 0.079 0.000 0.275 442 L C -1.286 175.414 176.870 -0.284 0.000 0.987 442 L CA -0.914 53.689 54.840 -0.395 0.000 0.828 442 L CB 1.798 43.175 42.059 -1.137 0.000 1.249 442 L HN -0.121 nan 8.230 nan 0.000 0.409 443 V N 4.742 124.559 119.914 -0.162 0.000 2.459 443 V HA 0.640 4.808 4.120 0.079 0.000 0.295 443 V C -0.927 175.077 176.094 -0.149 0.000 1.029 443 V CA -0.310 61.932 62.300 -0.097 0.000 0.874 443 V CB 1.936 33.771 31.823 0.020 0.000 0.985 443 V HN 0.444 nan 8.190 nan 0.000 0.438 444 V N 6.182 126.001 119.914 -0.158 0.000 2.384 444 V HA 0.456 4.624 4.120 0.079 0.000 0.287 444 V C 0.007 175.929 176.094 -0.286 0.000 1.020 444 V CA -0.529 61.660 62.300 -0.185 0.000 0.850 444 V CB 1.603 33.355 31.823 -0.120 0.000 0.987 444 V HN 0.814 nan 8.190 nan 0.000 0.436 445 V N 5.266 124.994 119.914 -0.310 0.000 2.383 445 V HA 0.614 4.782 4.120 0.079 0.000 0.275 445 V C 0.417 176.341 176.094 -0.283 0.000 1.036 445 V CA 0.122 62.176 62.300 -0.410 0.000 0.889 445 V CB 1.386 33.001 31.823 -0.346 0.000 0.985 445 V HN 1.061 nan 8.190 nan 0.000 0.459 446 T N 2.244 116.625 114.554 -0.288 0.000 2.716 446 T HA 0.412 4.810 4.350 0.079 0.000 0.286 446 T C -1.190 173.405 174.700 -0.174 0.000 1.052 446 T CA -0.876 61.109 62.100 -0.192 0.000 1.024 446 T CB 1.447 70.222 68.868 -0.156 0.000 1.349 446 T HN 0.504 nan 8.240 nan 0.000 0.525 447 D N 1.743 122.050 120.400 -0.154 0.000 2.304 447 D HA 0.478 5.165 4.640 0.079 0.000 0.250 447 D C -0.719 175.486 176.300 -0.159 0.000 1.107 447 D CA 0.078 53.992 54.000 -0.143 0.000 0.885 447 D CB 1.180 41.898 40.800 -0.137 0.000 1.192 447 D HN 0.629 nan 8.370 nan 0.000 0.436 448 D N 1.523 121.857 120.400 -0.110 0.000 2.364 448 D HA 0.093 4.780 4.640 0.079 0.000 0.251 448 D C -0.856 175.409 176.300 -0.058 0.000 1.282 448 D CA -0.547 53.400 54.000 -0.089 0.000 0.927 448 D CB -0.270 40.515 40.800 -0.024 0.000 1.267 448 D HN 0.159 nan 8.370 nan 0.000 0.531 449 N N 3.627 122.283 118.700 -0.073 0.000 2.681 449 N HA -0.120 4.668 4.740 0.079 0.000 0.259 449 N C -1.810 173.678 175.510 -0.036 0.000 1.066 449 N CA 0.590 53.613 53.050 -0.044 0.000 0.717 449 N CB -0.450 38.026 38.487 -0.019 0.000 0.885 449 N HN 0.492 nan 8.380 nan 0.000 0.547 450 P HA -0.152 nan 4.420 nan 0.000 0.223 450 P C 0.998 178.282 177.300 -0.026 0.000 1.144 450 P CA 1.031 64.109 63.100 -0.038 0.000 0.783 450 P CB 0.373 32.046 31.700 -0.045 0.000 0.771 451 R N -0.525 119.961 120.500 -0.023 0.000 3.982 451 R HA -0.201 4.187 4.340 0.079 0.000 0.360 451 R C 1.490 177.783 176.300 -0.013 0.000 0.241 451 R CA 2.316 58.408 56.100 -0.014 0.000 1.177 451 R CB -2.188 28.106 30.300 -0.011 0.000 1.024 451 R HN 0.070 nan 8.270 nan 0.000 0.550 452 D N 0.717 121.111 120.400 -0.010 0.000 2.123 452 D HA -0.043 4.645 4.640 0.079 0.000 0.200 452 D C -0.092 176.200 176.300 -0.012 0.000 0.976 452 D CA 0.946 54.941 54.000 -0.009 0.000 0.831 452 D CB -0.135 40.661 40.800 -0.006 0.000 0.974 452 D HN 0.388 nan 8.370 nan 0.000 0.469 453 E N 1.826 122.017 120.200 -0.014 0.000 2.452 453 E HA -0.031 4.366 4.350 0.079 0.000 0.261 453 E C 0.067 176.655 176.600 -0.020 0.000 0.987 453 E CA -0.058 56.332 56.400 -0.017 0.000 0.926 453 E CB 0.654 30.343 29.700 -0.018 0.000 0.934 453 E HN 0.006 nan 8.360 nan 0.000 0.452 454 D N 4.535 124.923 120.400 -0.020 0.000 2.389 454 D HA -0.028 4.660 4.640 0.079 0.000 0.263 454 D C -1.661 174.622 176.300 -0.029 0.000 1.255 454 D CA -1.459 52.527 54.000 -0.023 0.000 0.914 454 D CB 0.917 41.705 40.800 -0.020 0.000 1.116 454 D HN 0.192 nan 8.370 nan 0.000 0.502 455 P HA -0.123 nan 4.420 nan 0.000 0.218 455 P C 1.056 178.327 177.300 -0.049 0.000 1.146 455 P CA 1.133 64.206 63.100 -0.045 0.000 0.813 455 P CB 0.221 31.892 31.700 -0.050 0.000 0.778 456 T N -1.671 112.857 114.554 -0.044 0.000 3.023 456 T HA 0.065 4.463 4.350 0.079 0.000 0.266 456 T C 1.867 176.542 174.700 -0.042 0.000 1.093 456 T CA 0.959 63.031 62.100 -0.046 0.000 1.129 456 T CB -0.636 68.208 68.868 -0.040 0.000 0.899 456 T HN 0.053 nan 8.240 nan 0.000 0.491 457 A N 2.132 124.931 122.820 -0.035 0.000 1.841 457 A HA -0.056 4.311 4.320 0.079 0.000 0.216 457 A C 2.224 179.787 177.584 -0.035 0.000 1.199 457 A CA 1.398 53.417 52.037 -0.031 0.000 0.621 457 A CB -0.960 18.025 19.000 -0.025 0.000 0.835 457 A HN 0.477 nan 8.150 nan 0.000 0.445 458 I N -0.716 119.832 120.570 -0.037 0.000 2.113 458 I HA -0.370 3.848 4.170 0.079 0.000 0.242 458 I C 2.827 178.913 176.117 -0.052 0.000 1.064 458 I CA 2.041 63.317 61.300 -0.039 0.000 1.320 458 I CB -0.454 37.521 38.000 -0.042 0.000 1.028 458 I HN 0.302 nan 8.210 nan 0.000 0.406 459 R N 0.319 120.777 120.500 -0.070 0.000 2.081 459 R HA -0.178 4.210 4.340 0.079 0.000 0.235 459 R C 2.743 178.996 176.300 -0.078 0.000 1.131 459 R CA 1.825 57.868 56.100 -0.095 0.000 0.960 459 R CB -0.604 29.633 30.300 -0.106 0.000 0.856 459 R HN 0.422 nan 8.270 nan 0.000 0.436 460 R N 1.533 121.998 120.500 -0.058 0.000 2.152 460 R HA -0.152 4.236 4.340 0.079 0.000 0.232 460 R C 1.803 178.081 176.300 -0.036 0.000 1.117 460 R CA 1.866 57.938 56.100 -0.046 0.000 0.981 460 R CB -0.855 29.423 30.300 -0.038 0.000 0.870 460 R HN 0.437 nan 8.270 nan 0.000 0.451 461 E N -0.022 120.159 120.200 -0.032 0.000 2.076 461 E HA 0.041 4.438 4.350 0.079 0.000 0.190 461 E C 2.015 178.608 176.600 -0.012 0.000 0.979 461 E CA 1.153 57.542 56.400 -0.019 0.000 0.807 461 E CB -0.051 29.641 29.700 -0.014 0.000 0.761 461 E HN 0.647 nan 8.360 nan 0.000 0.454 462 I N 0.688 121.246 120.570 -0.020 0.000 2.226 462 I HA -0.262 3.956 4.170 0.079 0.000 0.245 462 I C 2.023 178.130 176.117 -0.016 0.000 1.100 462 I CA 0.969 62.267 61.300 -0.004 0.000 1.374 462 I CB -0.267 37.704 38.000 -0.047 0.000 1.057 462 I HN 0.110 nan 8.210 nan 0.000 0.413 463 L N 0.703 121.899 121.223 -0.045 0.000 2.275 463 L HA -0.102 4.286 4.340 0.079 0.000 0.215 463 L C 2.836 179.692 176.870 -0.023 0.000 1.119 463 L CA 0.836 55.650 54.840 -0.044 0.000 0.790 463 L CB -0.695 41.329 42.059 -0.059 0.000 0.919 463 L HN 0.218 nan 8.230 nan 0.000 0.443 464 A N 0.670 123.480 122.820 -0.017 0.000 1.902 464 A HA -0.122 4.246 4.320 0.079 0.000 0.217 464 A C 2.464 180.047 177.584 -0.002 0.000 1.181 464 A CA 1.668 53.699 52.037 -0.010 0.000 0.623 464 A CB -1.272 17.723 19.000 -0.009 0.000 0.818 464 A HN 0.411 nan 8.150 nan 0.000 0.443 465 G N -0.308 108.496 108.800 0.006 0.000 2.469 465 G HA2 -0.083 3.925 3.960 0.079 0.000 0.219 465 G HA3 -0.083 3.925 3.960 0.079 0.000 0.219 465 G C 1.695 176.606 174.900 0.018 0.000 1.150 465 G CA 1.556 46.667 45.100 0.018 0.000 0.763 465 G HN 0.894 nan 8.290 nan 0.000 0.561 466 A N 0.831 123.659 122.820 0.012 0.000 2.070 466 A HA 0.489 4.857 4.320 0.079 0.000 0.220 466 A C 1.997 179.583 177.584 0.003 0.000 1.159 466 A CA 1.407 53.449 52.037 0.008 0.000 0.656 466 A CB -0.673 18.323 19.000 -0.007 0.000 0.800 466 A HN 1.079 nan 8.150 nan 0.000 0.453 472 D N 1.637 122.055 120.400 0.031 0.000 2.177 472 D HA 0.074 4.761 4.640 0.079 0.000 0.189 472 D C 1.853 178.180 176.300 0.046 0.000 1.002 472 D CA 1.885 55.909 54.000 0.040 0.000 0.845 472 D CB -0.439 40.385 40.800 0.039 0.000 0.960 472 D HN 0.618 nan 8.370 nan 0.000 0.447 473 A N -0.762 122.079 122.820 0.036 0.000 2.346 473 A HA 0.321 4.689 4.320 0.079 0.000 0.255 473 A C 0.105 177.706 177.584 0.029 0.000 1.113 473 A CA 0.112 52.168 52.037 0.031 0.000 0.798 473 A CB 0.326 19.338 19.000 0.019 0.000 1.073 473 A HN 0.370 nan 8.150 nan 0.000 0.502 474 Q N -0.575 119.232 119.800 0.011 0.000 2.406 474 Q HA 0.488 4.875 4.340 0.079 0.000 0.244 474 Q C -1.564 174.415 176.000 -0.035 0.000 0.884 474 Q CA -0.506 55.303 55.803 0.010 0.000 0.813 474 Q CB 1.638 30.408 28.738 0.053 0.000 1.368 474 Q HN 1.230 nan 8.270 nan 0.000 0.439 475 V N 1.794 121.685 119.914 -0.039 0.000 2.628 475 V HA 0.978 5.145 4.120 0.079 0.000 0.306 475 V C -1.491 174.551 176.094 -0.086 0.000 1.045 475 V CA -0.363 61.896 62.300 -0.069 0.000 0.905 475 V CB 1.779 33.569 31.823 -0.055 0.000 0.997 475 V HN 0.550 nan 8.190 nan 0.000 0.436 476 V N 3.659 123.498 119.914 -0.124 0.000 3.087 476 V HA 0.592 4.759 4.120 0.079 0.000 0.306 476 V C -0.908 175.086 176.094 -0.167 0.000 1.187 476 V CA -0.397 61.816 62.300 -0.145 0.000 0.999 476 V CB 2.163 33.872 31.823 -0.191 0.000 1.049 476 V HN 1.201 nan 8.190 nan 0.000 0.431 477 E N 5.005 125.114 120.200 -0.151 0.000 2.109 477 E HA 0.544 4.942 4.350 0.079 0.000 0.278 477 E C -1.348 175.166 176.600 -0.145 0.000 0.954 477 E CA -0.495 55.816 56.400 -0.148 0.000 0.779 477 E CB 1.113 30.742 29.700 -0.118 0.000 1.093 477 E HN 0.635 nan 8.360 nan 0.000 0.401 478 I N 4.630 125.112 120.570 -0.147 0.000 2.420 478 I HA 0.243 4.460 4.170 0.079 0.000 0.282 478 I C 0.915 176.972 176.117 -0.101 0.000 1.019 478 I CA -0.383 60.846 61.300 -0.117 0.000 1.130 478 I CB 1.710 39.641 38.000 -0.114 0.000 1.262 478 I HN 0.653 nan 8.210 nan 0.000 0.454 479 A N 3.978 126.746 122.820 -0.086 0.000 1.902 479 A HA -0.147 4.221 4.320 0.079 0.000 0.217 479 A C 1.116 178.653 177.584 -0.079 0.000 1.181 479 A CA 1.222 53.208 52.037 -0.084 0.000 0.623 479 A CB -0.205 18.755 19.000 -0.067 0.000 0.818 479 A HN 0.710 nan 8.150 nan 0.000 0.443 480 D N -0.918 119.450 120.400 -0.052 0.000 2.348 480 D HA 0.138 4.826 4.640 0.079 0.000 0.253 480 D C 1.136 177.422 176.300 -0.024 0.000 1.161 480 D CA -0.153 53.829 54.000 -0.030 0.000 0.876 480 D CB 0.700 41.505 40.800 0.008 0.000 1.160 480 D HN 0.267 nan 8.370 nan 0.000 0.459 481 R N 3.224 123.683 120.500 -0.067 0.000 2.066 481 R HA -0.146 4.242 4.340 0.079 0.000 0.232 481 R C 2.240 178.649 176.300 0.181 0.000 1.131 481 R CA 1.486 57.540 56.100 -0.076 0.000 0.955 481 R CB 0.067 30.077 30.300 -0.483 0.000 0.851 481 R HN 0.514 nan 8.270 nan 0.000 0.432 482 R N 0.212 120.918 120.500 0.344 0.000 2.096 482 R HA -0.117 4.271 4.340 0.079 0.000 0.235 482 R C 1.250 177.647 176.300 0.163 0.000 1.127 482 R CA 2.131 58.412 56.100 0.303 0.000 0.968 482 R CB -0.427 30.015 30.300 0.236 0.000 0.861 482 R HN 0.129 nan 8.270 nan 0.000 0.440 483 D N 0.927 121.397 120.400 0.117 0.000 2.144 483 D HA -0.068 4.620 4.640 0.079 0.000 0.199 483 D C 1.950 178.303 176.300 0.088 0.000 0.984 483 D CA 1.672 55.723 54.000 0.085 0.000 0.834 483 D CB -0.290 40.541 40.800 0.051 0.000 0.955 483 D HN 0.459 nan 8.370 nan 0.000 0.465 484 A N 0.709 123.568 122.820 0.065 0.000 1.883 484 A HA -0.161 4.207 4.320 0.079 0.000 0.217 484 A C 2.350 179.995 177.584 0.102 0.000 1.186 484 A CA 1.016 53.084 52.037 0.051 0.000 0.624 484 A CB -0.753 18.248 19.000 0.001 0.000 0.822 484 A HN 0.208 nan 8.150 nan 0.000 0.444 485 I N -0.972 119.672 120.570 0.123 0.000 2.226 485 I HA -0.274 3.944 4.170 0.079 0.000 0.245 485 I C 2.801 178.992 176.117 0.123 0.000 1.100 485 I CA 1.442 62.821 61.300 0.130 0.000 1.374 485 I CB -0.353 37.743 38.000 0.160 0.000 1.057 485 I HN 0.308 nan 8.210 nan 0.000 0.413 486 R N -0.426 120.149 120.500 0.125 0.000 2.075 486 R HA -0.210 4.177 4.340 0.079 0.000 0.232 486 R C 2.368 178.740 176.300 0.121 0.000 1.126 486 R CA 1.622 57.791 56.100 0.116 0.000 0.963 486 R CB -0.641 29.721 30.300 0.104 0.000 0.858 486 R HN 0.425 nan 8.270 nan 0.000 0.435 487 H N 0.834 119.937 119.070 0.055 0.000 2.321 487 H HA -0.040 4.563 4.556 0.079 0.000 0.300 487 H C 1.890 177.266 175.328 0.079 0.000 1.087 487 H CA 1.947 58.027 56.048 0.054 0.000 1.319 487 H CB -0.111 29.660 29.762 0.016 0.000 1.379 487 H HN 0.227 nan 8.280 nan 0.000 0.501 488 A N 0.032 122.855 122.820 0.005 0.000 1.933 488 A HA -0.089 4.278 4.320 0.079 0.000 0.218 488 A C 2.645 180.247 177.584 0.030 0.000 1.175 488 A CA 1.559 53.567 52.037 -0.048 0.000 0.628 488 A CB -0.813 18.168 19.000 -0.032 0.000 0.814 488 A HN 0.359 nan 8.150 nan 0.000 0.444 489 V N -0.445 119.497 119.914 0.047 0.000 2.515 489 V HA -0.165 4.003 4.120 0.079 0.000 0.250 489 V C 2.855 178.963 176.094 0.022 0.000 1.058 489 V CA 1.709 64.052 62.300 0.072 0.000 1.064 489 V CB -0.859 31.078 31.823 0.190 0.000 0.675 489 V HN 0.587 nan 8.190 nan 0.000 0.461 490 A N -1.512 121.313 122.820 0.008 0.000 2.167 490 A HA -0.160 4.208 4.320 0.079 0.000 0.214 490 A C 1.868 179.412 177.584 -0.066 0.000 1.151 490 A CA 0.913 52.942 52.037 -0.013 0.000 0.735 490 A CB -0.636 18.363 19.000 -0.002 0.000 0.802 490 A HN 0.805 nan 8.150 nan 0.000 0.467 491 W N 0.571 121.670 121.300 -0.336 0.000 2.640 491 W HA 0.459 5.167 4.660 0.080 0.000 0.268 491 W C 0.949 177.289 176.519 -0.298 0.000 1.263 491 W CA 0.369 57.516 57.345 -0.330 0.000 1.344 491 W CB -0.043 29.168 29.460 -0.416 0.000 1.093 491 W HN 0.268 nan 8.180 nan 0.000 0.603 492 A N 3.081 125.700 122.820 -0.335 0.000 2.540 492 A HA 0.262 4.630 4.320 0.079 0.000 0.239 492 A C 0.152 177.357 177.584 -0.632 0.000 1.061 492 A CA 0.114 51.672 52.037 -0.798 0.000 0.758 492 A CB 0.085 18.214 19.000 -1.451 0.000 0.991 492 A HN 0.229 nan 8.150 nan 0.000 0.502 493 R N 1.988 122.159 120.500 -0.547 0.000 2.598 493 R HA 0.419 4.807 4.340 0.079 0.000 0.279 493 R C -2.722 173.550 176.300 -0.046 0.000 0.984 493 R CA -2.382 53.571 56.100 -0.245 0.000 0.999 493 R CB 0.562 30.699 30.300 -0.271 0.000 1.114 493 R HN 0.453 nan 8.270 nan 0.000 0.493 494 P HA -0.132 nan 4.420 nan 0.000 0.255 494 P C 0.658 177.993 177.300 0.058 0.000 1.151 494 P CA 1.324 64.489 63.100 0.107 0.000 0.767 494 P CB 0.049 31.772 31.700 0.038 0.000 0.736 495 G N 2.423 111.289 108.800 0.110 0.000 2.213 495 G HA2 -0.184 3.824 3.960 0.079 0.000 0.236 495 G HA3 -0.184 3.824 3.960 0.079 0.000 0.236 495 G C 0.041 174.977 174.900 0.060 0.000 0.991 495 G CA -0.163 44.972 45.100 0.059 0.000 0.629 495 G HN 0.487 nan 8.290 nan 0.000 0.517 496 D N -0.233 120.199 120.400 0.053 0.000 2.384 496 D HA 0.496 5.184 4.640 0.079 0.000 0.244 496 D C 0.603 176.992 176.300 0.148 0.000 1.251 496 D CA 0.556 54.581 54.000 0.041 0.000 0.961 496 D CB 1.828 42.556 40.800 -0.120 0.000 1.116 496 D HN 0.837 nan 8.370 nan 0.000 0.484 497 V N -0.494 119.525 119.914 0.174 0.000 2.604 497 V HA 0.596 4.764 4.120 0.079 0.000 0.305 497 V C -0.865 175.349 176.094 0.201 0.000 1.043 497 V CA -0.763 61.655 62.300 0.197 0.000 0.888 497 V CB 1.788 33.703 31.823 0.154 0.000 0.995 497 V HN 0.360 nan 8.190 nan 0.000 0.429 498 V N 5.764 125.799 119.914 0.202 0.000 2.448 498 V HA 0.797 4.964 4.120 0.079 0.000 0.295 498 V C -1.027 175.150 176.094 0.139 0.000 1.025 498 V CA -0.622 61.767 62.300 0.149 0.000 0.859 498 V CB 1.326 33.227 31.823 0.130 0.000 0.988 498 V HN 1.041 nan 8.190 nan 0.000 0.431 499 L N 6.927 128.210 121.223 0.101 0.000 2.325 499 L HA 0.646 5.033 4.340 0.079 0.000 0.281 499 L C -0.570 176.361 176.870 0.102 0.000 1.004 499 L CA -0.405 54.493 54.840 0.098 0.000 0.823 499 L CB 1.509 43.616 42.059 0.081 0.000 1.236 499 L HN 0.662 nan 8.230 nan 0.000 0.415 500 I N 5.405 126.043 120.570 0.114 0.000 2.291 500 I HA 0.469 4.686 4.170 0.079 0.000 0.290 500 I C 0.524 176.720 176.117 0.131 0.000 1.050 500 I CA -0.264 61.113 61.300 0.129 0.000 1.245 500 I CB 0.425 38.509 38.000 0.140 0.000 1.405 500 I HN 0.679 nan 8.210 nan 0.000 0.478 501 A N 3.963 126.873 122.820 0.149 0.000 2.294 501 A HA 0.771 5.139 4.320 0.079 0.000 0.330 501 A C 1.014 178.680 177.584 0.136 0.000 1.133 501 A CA 0.200 52.305 52.037 0.114 0.000 0.836 501 A CB 1.093 20.120 19.000 0.045 0.000 1.190 501 A HN 1.154 nan 8.150 nan 0.000 0.492 502 G N -0.083 108.758 108.800 0.068 0.000 2.175 502 G HA2 -0.219 3.789 3.960 0.079 0.000 0.244 502 G HA3 -0.219 3.789 3.960 0.079 0.000 0.244 502 G C 0.765 175.716 174.900 0.084 0.000 0.982 502 G CA 0.852 45.981 45.100 0.050 0.000 0.641 502 G HN 0.734 nan 8.290 nan 0.000 0.527 503 K N -0.503 119.984 120.400 0.146 0.000 2.344 503 K HA 0.417 4.785 4.320 0.079 0.000 0.200 503 K C 2.065 178.856 176.600 0.319 0.000 1.132 503 K CA 0.842 57.245 56.287 0.193 0.000 0.935 503 K CB 0.381 32.968 32.500 0.145 0.000 1.089 503 K HN 1.139 nan 8.250 nan 0.000 0.496 504 G N 2.508 111.475 108.800 0.280 0.000 2.596 504 G HA2 -0.396 3.612 3.960 0.079 0.000 0.304 504 G HA3 -0.396 3.612 3.960 0.079 0.000 0.304 504 G C 0.670 175.650 174.900 0.133 0.000 1.189 504 G CA 0.913 46.161 45.100 0.247 0.000 0.986 504 G HN 0.575 nan 8.290 nan 0.000 0.548 505 H N 1.993 120.988 119.070 -0.125 0.000 2.535 505 H HA 0.274 4.886 4.556 0.094 0.000 0.273 505 H C 1.214 176.510 175.328 -0.053 0.000 0.983 505 H CA 1.371 57.349 56.048 -0.118 0.000 1.238 505 H CB -0.366 29.268 29.762 -0.213 0.000 1.412 505 H HN 0.586 nan 8.280 nan 0.000 0.562 506 E N 2.402 122.182 120.200 -0.699 0.000 2.436 506 E HA 0.114 4.512 4.350 0.079 0.000 0.262 506 E C -0.022 176.505 176.600 -0.122 0.000 1.063 506 E CA 0.552 56.679 56.400 -0.454 0.000 0.944 506 E CB 0.660 30.231 29.700 -0.215 0.000 0.950 506 E HN 0.592 nan 8.360 nan 0.000 0.444 507 T N 0.201 114.717 114.554 -0.063 0.000 2.864 507 T HA 0.790 5.188 4.350 0.079 0.000 0.289 507 T C 0.252 174.991 174.700 0.065 0.000 1.082 507 T CA -0.508 61.614 62.100 0.037 0.000 1.009 507 T CB 1.248 70.128 68.868 0.021 0.000 1.234 507 T HN 1.003 nan 8.240 nan 0.000 0.526 508 G N 0.634 109.511 108.800 0.128 0.000 2.728 508 G HA2 0.032 4.039 3.960 0.079 0.000 0.686 508 G HA3 0.032 4.039 3.960 0.079 0.000 0.686 508 G C -1.010 173.939 174.900 0.082 0.000 1.337 508 G CA -0.863 44.305 45.100 0.113 0.000 0.861 508 G HN 0.810 nan 8.290 nan 0.000 0.597 509 Q N 0.372 120.203 119.800 0.053 0.000 2.368 509 Q HA 0.655 5.043 4.340 0.079 0.000 0.263 509 Q C 0.762 176.753 176.000 -0.015 0.000 1.009 509 Q CA 0.010 55.789 55.803 -0.040 0.000 0.818 509 Q CB 1.470 30.143 28.738 -0.108 0.000 1.239 509 Q HN 1.167 nan 8.270 nan 0.000 0.464 510 R N 0.655 121.143 120.500 -0.020 0.000 2.297 510 R HA 0.784 5.171 4.340 0.079 0.000 0.308 510 R C 0.150 176.438 176.300 -0.020 0.000 1.029 510 R CA 0.231 56.325 56.100 -0.011 0.000 0.929 510 R CB 0.984 31.281 30.300 -0.005 0.000 1.046 510 R HN 0.761 nan 8.270 nan 0.000 0.461 515 V N 1.555 121.477 119.914 0.013 0.000 2.347 515 V HA 0.861 5.028 4.120 0.079 0.000 0.280 515 V C 0.482 176.593 176.094 0.029 0.000 1.021 515 V CA 0.213 62.524 62.300 0.018 0.000 0.847 515 V CB 0.983 32.817 31.823 0.019 0.000 0.990 515 V HN 1.639 nan 8.190 nan 0.000 0.444 516 R N 7.961 128.483 120.500 0.037 0.000 2.349 516 R HA 0.704 5.092 4.340 0.079 0.000 0.299 516 R C -2.791 173.567 176.300 0.097 0.000 1.027 516 R CA -1.711 54.425 56.100 0.060 0.000 0.958 516 R CB 0.198 30.535 30.300 0.062 0.000 1.047 516 R HN 0.761 nan 8.270 nan 0.000 0.468 517 P HA 0.327 nan 4.420 nan 0.000 0.271 517 P C -1.198 176.216 177.300 0.190 0.000 1.220 517 P CA 0.086 63.248 63.100 0.104 0.000 0.768 517 P CB 0.342 32.072 31.700 0.050 0.000 0.848 518 F N 2.075 122.025 119.950 -0.000 0.000 2.622 518 F HA 0.333 4.906 4.527 0.077 0.000 0.318 518 F C -1.468 174.333 175.800 0.001 0.000 1.135 518 F CA -0.520 57.482 58.000 0.003 0.000 1.015 518 F CB 2.097 41.100 39.000 0.006 0.000 1.275 518 F HN 0.154 nan 8.300 nan 0.000 0.457 519 D N 4.362 124.604 120.400 -0.264 0.000 2.788 519 D HA 0.218 4.906 4.640 0.079 0.000 0.247 519 D C 0.046 176.254 176.300 -0.152 0.000 1.236 519 D CA -0.264 53.687 54.000 -0.081 0.000 0.898 519 D CB 1.794 42.550 40.800 -0.074 0.000 1.401 519 D HN 0.521 nan 8.370 nan 0.000 0.549 520 D N 2.462 122.919 120.400 0.096 0.000 2.144 520 D HA -0.125 4.562 4.640 0.079 0.000 0.199 520 D C 1.710 178.034 176.300 0.041 0.000 0.984 520 D CA 1.021 55.102 54.000 0.134 0.000 0.834 520 D CB 0.409 41.337 40.800 0.214 0.000 0.955 520 D HN 0.328 nan 8.370 nan 0.000 0.465 521 R N 0.237 120.752 120.500 0.024 0.000 2.083 521 R HA -0.088 4.299 4.340 0.079 0.000 0.237 521 R C 2.444 178.731 176.300 -0.022 0.000 1.137 521 R CA 0.605 56.711 56.100 0.010 0.000 0.951 521 R CB -1.008 29.296 30.300 0.006 0.000 0.851 521 R HN 0.113 nan 8.270 nan 0.000 0.434 522 V N 1.046 120.921 119.914 -0.065 0.000 2.307 522 V HA -0.190 3.977 4.120 0.079 0.000 0.245 522 V C 2.071 178.098 176.094 -0.112 0.000 1.045 522 V CA 1.741 63.986 62.300 -0.091 0.000 1.024 522 V CB -0.441 31.309 31.823 -0.121 0.000 0.651 522 V HN 0.241 nan 8.190 nan 0.000 0.449 523 E N -0.024 120.066 120.200 -0.182 0.000 2.077 523 E HA -0.181 4.216 4.350 0.079 0.000 0.193 523 E C 2.066 178.648 176.600 -0.030 0.000 0.989 523 E CA 0.969 57.271 56.400 -0.162 0.000 0.800 523 E CB -0.571 28.969 29.700 -0.267 0.000 0.746 523 E HN 0.433 nan 8.360 nan 0.000 0.452 524 L N 0.954 122.182 121.223 0.008 0.000 1.994 524 L HA -0.091 4.296 4.340 0.079 0.000 0.208 524 L C 2.180 179.077 176.870 0.044 0.000 1.071 524 L CA 2.167 57.041 54.840 0.057 0.000 0.745 524 L CB -1.012 41.092 42.059 0.076 0.000 0.892 524 L HN 0.068 nan 8.230 nan 0.000 0.431 525 A N -0.552 122.277 122.820 0.016 0.000 1.883 525 A HA -0.157 4.210 4.320 0.079 0.000 0.217 525 A C 2.462 180.049 177.584 0.004 0.000 1.186 525 A CA 2.080 54.121 52.037 0.006 0.000 0.624 525 A CB -1.269 17.727 19.000 -0.008 0.000 0.822 525 A HN 0.586 nan 8.150 nan 0.000 0.444 526 A N -0.104 122.711 122.820 -0.008 0.000 1.892 526 A HA 0.067 4.435 4.320 0.079 0.000 0.218 526 A C 2.531 180.125 177.584 0.017 0.000 1.188 526 A CA 2.451 54.484 52.037 -0.007 0.000 0.631 526 A CB -1.117 17.866 19.000 -0.027 0.000 0.822 526 A HN 1.159 nan 8.150 nan 0.000 0.447 527 A N -0.373 122.468 122.820 0.036 0.000 1.902 527 A HA -0.046 4.322 4.320 0.079 0.000 0.217 527 A C 2.151 179.782 177.584 0.078 0.000 1.181 527 A CA 1.548 53.624 52.037 0.065 0.000 0.623 527 A CB -0.630 18.425 19.000 0.091 0.000 0.818 527 A HN 0.493 nan 8.150 nan 0.000 0.443 528 L N -1.138 120.129 121.223 0.072 0.000 2.131 528 L HA -0.181 4.206 4.340 0.079 0.000 0.210 528 L C 2.506 179.390 176.870 0.023 0.000 1.092 528 L CA 1.591 56.464 54.840 0.056 0.000 0.759 528 L CB -0.470 41.596 42.059 0.012 0.000 0.903 528 L HN 0.375 nan 8.230 nan 0.000 0.435 529 E N 0.107 120.316 120.200 0.015 0.000 2.106 529 E HA -0.149 4.248 4.350 0.079 0.000 0.192 529 E C 2.278 178.887 176.600 0.016 0.000 0.984 529 E CA 1.078 57.482 56.400 0.007 0.000 0.806 529 E CB -0.105 29.596 29.700 0.001 0.000 0.750 529 E HN 0.441 nan 8.360 nan 0.000 0.458 530 A N 0.228 123.064 122.820 0.027 0.000 2.067 530 A HA -0.073 4.294 4.320 0.079 0.000 0.219 530 A C 0.982 178.589 177.584 0.039 0.000 1.158 530 A CA 0.367 52.423 52.037 0.031 0.000 0.661 530 A CB -0.195 18.828 19.000 0.038 0.000 0.801 530 A HN 0.172 nan 8.150 nan 0.000 0.452 531 L N 1.489 122.742 121.223 0.050 0.000 2.536 531 L HA 0.442 4.830 4.340 0.079 0.000 0.282 531 L C 0.759 177.646 176.870 0.030 0.000 1.174 531 L CA 1.369 56.242 54.840 0.055 0.000 0.989 531 L CB -1.600 40.514 42.059 0.092 0.000 1.311 531 L HN 0.749 nan 8.230 nan 0.000 0.455 532 E N 0.000 120.214 120.200 0.024 0.000 2.725 532 E HA 0.000 4.398 4.350 0.079 0.000 0.291 532 E CA 0.000 56.408 56.400 0.013 0.000 0.976 532 E CB 0.000 29.705 29.700 0.008 0.000 0.812 532 E HN 0.000 nan 8.360 nan 0.000 0.440