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 1e61_1_C DATA FIRST_RESID 3 DATA SEQUENCE LANGTVMSGS HWGVFTATVE NGRATAFTPW EKDPHPSPML AGVLDSIYSP DATA SEQUENCE TRIKYPMVRR EFLEKGVNAD RSTRGNGDFV RVSWDQALDL VAAEVKRVEE DATA SEQUENCE TYGPEGVFGG SYGWKSPGRL HNCTTLLRRM LTLAGGYVNG AGDYSTGAAQ DATA SEQUENCE VIMPHVVGTL EVYEQQTAWP VLAENTEVMV FWAADPIKTS QIGWVIPEHG DATA SEQUENCE AYPGLEALKA KGTKVIVIDP VRTKTVEFFG AEHITPKPQT DVAIMLGMAH DATA SEQUENCE TLVAEDLYDK DFIANYTSGF DKFLPYLDGE TDSTPKTAEW AEGISGVPAE DATA SEQUENCE TIKELARLFE SKRTMLAAGW SMQRMHHGEQ AHWMLVTLAS MLGQIGLPGG DATA SEQUENCE GFGLSYHYSG GGTPSTSGPA LAGITDGGXX XXXXXXXXXX GASVIPVARV DATA SEQUENCE VDMLENPGAE FDFNGTRSKF PDVKMAYWVG GNPFVHHQDR NRMVKAWEKL DATA SEQUENCE ETFVVHDFQW TPTARHADIV LPATTSYERN DIETIGDYSN TGILAMKKIV DATA SEQUENCE EPLYEARSDY DIFAAVAERL GKGAEFTEGK DEMGWIKSFY DDAAKQGKAA DATA SEQUENCE GVEMPAFDAF WAEGIVEFPV TDGADFVRYA SFREDPLLNP LGTPTGLIEI DATA SEQUENCE YSKNIEKMGY DDCPAHPTWM EPLERLDGPG AKYPLHIAAS HPFNRLHSQL DATA SEQUENCE NGTVLREGYA VQGHEPCLMH PDDAAARGIA DGDVVRVHND RGQILTGVKV DATA SEQUENCE TDAVMKGVIQ IYEGGWYDPS DVTEPGTLDK YGDVNVLSAD IGTSKLAQGN DATA SEQUENCE CGQTVLAEVE KYTGPAVTLT GFVAPKAAE 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.872 176.870 0.003 0.000 1.165 3 L CA 0.000 54.841 54.840 0.002 0.000 0.813 3 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 4 A N 2.739 125.563 122.820 0.007 0.000 2.407 4 A HA 0.705 5.026 4.320 0.002 0.000 0.248 4 A C -0.428 177.160 177.584 0.007 0.000 1.082 4 A CA -0.204 51.838 52.037 0.008 0.000 0.785 4 A CB 0.288 19.296 19.000 0.012 0.000 1.020 4 A HN 0.713 nan 8.150 nan 0.000 0.489 5 N N 0.200 118.903 118.700 0.005 0.000 2.310 5 N HA 0.655 5.396 4.740 0.002 0.000 0.292 5 N C -0.081 175.430 175.510 0.002 0.000 1.049 5 N CA 0.457 53.509 53.050 0.004 0.000 0.849 5 N CB 2.253 40.739 38.487 -0.001 0.000 1.532 5 N HN 1.162 nan 8.380 nan 0.000 0.479 6 G N 0.117 108.920 108.800 0.005 0.000 2.368 6 G HA2 0.229 4.190 3.960 0.002 0.000 0.269 6 G HA3 0.229 4.190 3.960 0.002 0.000 0.269 6 G C -1.469 173.433 174.900 0.004 0.000 1.291 6 G CA -0.431 44.669 45.100 -0.001 0.000 0.903 6 G HN 0.585 nan 8.290 nan 0.000 0.483 7 T N -2.713 111.835 114.554 -0.009 0.000 2.906 7 T HA 0.794 5.146 4.350 0.002 0.000 0.295 7 T C -1.130 173.545 174.700 -0.041 0.000 1.061 7 T CA -0.724 61.369 62.100 -0.010 0.000 1.000 7 T CB 2.077 70.937 68.868 -0.013 0.000 1.103 7 T HN 1.430 nan 8.240 nan 0.000 0.486 8 V N 2.571 122.451 119.914 -0.056 0.000 2.777 8 V HA 0.537 4.659 4.120 0.002 0.000 0.306 8 V C -0.513 175.461 176.094 -0.201 0.000 1.112 8 V CA -0.927 61.302 62.300 -0.118 0.000 0.917 8 V CB 2.033 33.806 31.823 -0.084 0.000 1.018 8 V HN 1.128 nan 8.190 nan 0.000 0.426 9 M N 3.414 122.837 119.600 -0.295 0.000 2.318 9 M HA 0.765 5.247 4.480 0.002 0.000 0.347 9 M C -0.144 175.824 176.300 -0.553 0.000 1.175 9 M CA 0.498 55.544 55.300 -0.422 0.000 1.075 9 M CB 1.647 34.011 32.600 -0.393 0.000 1.614 9 M HN 0.841 nan 8.290 nan 0.000 0.456 10 S N 2.168 117.367 115.700 -0.835 0.000 3.003 10 S HA 0.973 5.444 4.470 0.002 0.000 0.313 10 S C -0.886 173.141 174.600 -0.956 0.000 1.230 10 S CA -0.164 57.577 58.200 -0.764 0.000 0.977 10 S CB 1.537 64.400 63.200 -0.560 0.000 1.340 10 S HN 1.025 nan 8.310 nan 0.000 0.608 11 G N 0.220 108.683 108.800 -0.562 0.000 2.663 11 G HA2 0.705 4.667 3.960 0.002 0.000 0.299 11 G HA3 0.705 4.667 3.960 0.002 0.000 0.299 11 G C -1.000 174.023 174.900 0.204 0.000 1.372 11 G CA 0.281 45.234 45.100 -0.245 0.000 0.781 11 G HN 1.682 nan 8.290 nan 0.000 0.491 12 S N -2.502 113.372 115.700 0.290 0.000 2.683 12 S HA 0.362 4.834 4.470 0.002 0.000 0.269 12 S C 0.121 174.878 174.600 0.261 0.000 1.165 12 S CA -0.508 57.925 58.200 0.389 0.000 0.840 12 S CB 0.963 64.650 63.200 0.812 0.000 1.169 12 S HN 0.577 nan 8.310 nan 0.000 0.490 13 H N -0.177 119.031 119.070 0.228 0.000 2.521 13 H HA 0.068 4.625 4.556 0.002 0.000 0.286 13 H C 0.534 175.796 175.328 -0.110 0.000 1.034 13 H CA 1.395 57.386 56.048 -0.094 0.000 1.278 13 H CB 0.030 29.519 29.762 -0.456 0.000 1.386 13 H HN 0.574 nan 8.280 nan 0.000 0.567 14 W N 0.637 122.129 121.300 0.320 0.000 3.211 14 W HA 0.347 5.008 4.660 0.002 0.000 0.292 14 W C 0.622 177.314 176.519 0.289 0.000 1.268 14 W CA 0.810 58.328 57.345 0.289 0.000 1.702 14 W CB 1.014 30.619 29.460 0.243 0.000 1.092 14 W HN 0.192 nan 8.180 nan 0.000 0.643 15 G N -0.045 109.009 108.800 0.424 0.000 2.361 15 G HA2 0.032 3.994 3.960 0.002 0.000 0.331 15 G HA3 0.032 3.994 3.960 0.002 0.000 0.331 15 G C -1.534 173.533 174.900 0.278 0.000 1.324 15 G CA -1.198 44.076 45.100 0.290 0.000 0.984 15 G HN -0.225 nan 8.290 nan 0.000 0.586 16 V N 0.743 120.746 119.914 0.149 0.000 2.607 16 V HA 0.781 4.903 4.120 0.002 0.000 0.289 16 V C 0.316 176.466 176.094 0.093 0.000 1.053 16 V CA 0.535 62.775 62.300 -0.100 0.000 0.996 16 V CB 0.364 31.908 31.823 -0.465 0.000 0.995 16 V HN 1.271 nan 8.190 nan 0.000 0.476 17 F N 0.823 120.684 119.950 -0.149 0.000 2.745 17 F HA 0.789 5.317 4.527 0.003 0.000 0.316 17 F C -0.587 175.086 175.800 -0.213 0.000 1.155 17 F CA -0.937 56.981 58.000 -0.137 0.000 0.937 17 F CB 1.710 40.576 39.000 -0.224 0.000 1.361 17 F HN 0.234 nan 8.300 nan 0.000 0.472 18 T N 1.550 116.154 114.554 0.083 0.000 2.812 18 T HA 0.765 5.116 4.350 0.002 0.000 0.282 18 T C -0.574 174.211 174.700 0.142 0.000 0.990 18 T CA -0.463 61.635 62.100 -0.003 0.000 0.960 18 T CB 1.337 70.205 68.868 0.000 0.000 0.948 18 T HN 0.936 nan 8.240 nan 0.000 0.438 19 A N 2.837 125.721 122.820 0.106 0.000 2.306 19 A HA 0.714 5.036 4.320 0.002 0.000 0.314 19 A C 0.371 178.041 177.584 0.144 0.000 1.164 19 A CA -0.609 51.559 52.037 0.220 0.000 0.822 19 A CB 0.478 19.624 19.000 0.242 0.000 1.130 19 A HN 0.691 nan 8.150 nan 0.000 0.496 20 T N 1.740 116.385 114.554 0.152 0.000 2.799 20 T HA 0.494 4.846 4.350 0.002 0.000 0.286 20 T C -0.365 174.384 174.700 0.083 0.000 0.973 20 T CA -0.135 62.016 62.100 0.084 0.000 1.035 20 T CB 0.890 69.793 68.868 0.059 0.000 0.932 20 T HN 0.412 nan 8.240 nan 0.000 0.469 21 V N 4.120 124.068 119.914 0.056 0.000 2.487 21 V HA 0.437 4.558 4.120 0.002 0.000 0.298 21 V C -0.207 175.900 176.094 0.022 0.000 1.028 21 V CA -0.749 61.581 62.300 0.050 0.000 0.860 21 V CB 1.714 33.568 31.823 0.052 0.000 0.991 21 V HN 0.865 nan 8.190 nan 0.000 0.427 22 E N 4.002 124.208 120.200 0.009 0.000 2.218 22 E HA 0.412 4.764 4.350 0.002 0.000 0.263 22 E C -0.542 176.050 176.600 -0.012 0.000 0.879 22 E CA -0.731 55.666 56.400 -0.006 0.000 0.762 22 E CB 1.192 30.882 29.700 -0.018 0.000 1.166 22 E HN 0.661 nan 8.360 nan 0.000 0.415 23 N N 2.258 120.953 118.700 -0.009 0.000 2.714 23 N HA -0.233 4.509 4.740 0.002 0.000 0.252 23 N C 0.659 176.165 175.510 -0.007 0.000 1.014 23 N CA 1.464 54.508 53.050 -0.010 0.000 0.735 23 N CB -1.170 37.305 38.487 -0.019 0.000 0.924 23 N HN 1.051 nan 8.380 nan 0.000 0.540 24 G N -0.943 107.861 108.800 0.007 0.000 2.184 24 G HA2 -0.381 3.580 3.960 0.002 0.000 0.264 24 G HA3 -0.381 3.580 3.960 0.002 0.000 0.264 24 G C 0.062 174.984 174.900 0.036 0.000 0.975 24 G CA 0.751 45.863 45.100 0.019 0.000 0.642 24 G HN 0.801 nan 8.290 nan 0.000 0.536 25 R N 0.261 120.772 120.500 0.019 0.000 2.494 25 R HA 0.721 5.063 4.340 0.002 0.000 0.305 25 R C 0.392 176.721 176.300 0.049 0.000 0.959 25 R CA -0.051 56.061 56.100 0.020 0.000 0.864 25 R CB 1.115 31.346 30.300 -0.116 0.000 1.159 25 R HN 0.703 nan 8.270 nan 0.000 0.446 26 A N 2.625 125.542 122.820 0.161 0.000 2.454 26 A HA 0.191 4.513 4.320 0.002 0.000 0.260 26 A C 0.859 178.460 177.584 0.029 0.000 1.106 26 A CA 0.169 52.296 52.037 0.151 0.000 0.780 26 A CB 0.353 19.500 19.000 0.246 0.000 1.044 26 A HN 0.961 nan 8.150 nan 0.000 0.498 27 T N -1.013 113.542 114.554 0.002 0.000 2.975 27 T HA 0.586 4.938 4.350 0.002 0.000 0.257 27 T C 0.336 175.001 174.700 -0.059 0.000 1.003 27 T CA 0.665 62.730 62.100 -0.058 0.000 0.932 27 T CB 0.072 68.910 68.868 -0.050 0.000 1.087 27 T HN 1.814 nan 8.240 nan 0.000 0.512 28 A N 0.702 123.523 122.820 0.001 0.000 2.589 28 A HA 0.669 4.990 4.320 0.002 0.000 0.296 28 A C -2.067 175.643 177.584 0.212 0.000 1.062 28 A CA -0.732 51.316 52.037 0.019 0.000 0.686 28 A CB 1.029 20.047 19.000 0.032 0.000 1.282 28 A HN 0.163 nan 8.150 nan 0.000 0.404 29 F N 1.328 121.210 119.950 -0.113 0.000 2.445 29 F HA 0.577 5.106 4.527 0.003 0.000 0.348 29 F C 0.303 176.075 175.800 -0.046 0.000 1.125 29 F CA -0.731 57.185 58.000 -0.140 0.000 0.983 29 F CB 2.095 40.812 39.000 -0.472 0.000 1.198 29 F HN 0.439 nan 8.300 nan 0.000 0.436 30 T N 5.671 120.343 114.554 0.197 0.000 2.771 30 T HA 0.425 4.777 4.350 0.002 0.000 0.281 30 T C -2.556 172.253 174.700 0.181 0.000 0.982 30 T CA -1.587 60.597 62.100 0.141 0.000 0.978 30 T CB 1.697 70.628 68.868 0.105 0.000 0.930 30 T HN 0.094 nan 8.240 nan 0.000 0.447 31 P HA 0.027 nan 4.420 nan 0.000 0.267 31 P C -0.390 177.066 177.300 0.260 0.000 1.200 31 P CA -0.645 62.588 63.100 0.222 0.000 0.772 31 P CB 0.408 32.203 31.700 0.158 0.000 0.855 32 W N 3.960 125.305 121.300 0.075 0.000 2.293 32 W HA -0.028 4.633 4.660 0.002 0.000 0.342 32 W C 1.390 177.925 176.519 0.028 0.000 1.274 32 W CA -0.297 57.064 57.345 0.027 0.000 1.290 32 W CB -0.093 29.378 29.460 0.019 0.000 1.176 32 W HN 0.615 nan 8.180 nan 0.000 0.570 33 E N 2.543 122.748 120.200 0.008 0.000 2.268 33 E HA -0.192 4.159 4.350 0.002 0.000 0.195 33 E C 1.074 177.430 176.600 -0.407 0.000 0.995 33 E CA 1.353 57.658 56.400 -0.157 0.000 0.836 33 E CB -0.082 29.564 29.700 -0.090 0.000 0.763 33 E HN 0.540 nan 8.360 nan 0.000 0.491 34 K N 0.737 120.541 120.400 -0.994 0.000 2.404 34 K HA 0.042 4.363 4.320 0.002 0.000 0.194 34 K C 0.125 176.278 176.600 -0.746 0.000 1.023 34 K CA -0.025 55.618 56.287 -1.072 0.000 1.094 34 K CB 0.275 31.773 32.500 -1.670 0.000 0.841 34 K HN 0.062 nan 8.250 nan 0.000 0.523 35 D N 1.960 122.139 120.400 -0.367 0.000 2.343 35 D HA 0.022 4.663 4.640 0.002 0.000 0.255 35 D C -1.464 174.859 176.300 0.037 0.000 1.187 35 D CA -1.923 52.103 54.000 0.044 0.000 0.875 35 D CB 1.439 42.416 40.800 0.294 0.000 1.136 35 D HN -0.022 nan 8.370 nan 0.000 0.469 36 P HA -0.057 nan 4.420 nan 0.000 0.229 36 P C -0.176 177.182 177.300 0.096 0.000 1.160 36 P CA 0.714 63.860 63.100 0.077 0.000 0.777 36 P CB 0.294 32.062 31.700 0.114 0.000 0.814 37 H N -1.259 117.772 119.070 -0.065 0.000 2.888 37 H HA 0.305 4.863 4.556 0.002 0.000 0.280 37 H C -2.841 172.198 175.328 -0.482 0.000 1.431 37 H CA -1.566 54.277 56.048 -0.343 0.000 1.573 37 H CB 0.604 29.973 29.762 -0.656 0.000 1.924 37 H HN -0.139 nan 8.280 nan 0.000 0.645 38 P HA 0.021 nan 4.420 nan 0.000 0.269 38 P C -0.268 176.925 177.300 -0.179 0.000 1.215 38 P CA -0.099 62.954 63.100 -0.079 0.000 0.780 38 P CB 1.210 32.915 31.700 0.008 0.000 0.898 39 S N 1.854 117.557 115.700 0.005 0.000 2.480 39 S HA 0.386 4.858 4.470 0.002 0.000 0.286 39 S C -1.576 173.050 174.600 0.043 0.000 1.180 39 S CA -1.704 56.519 58.200 0.038 0.000 1.075 39 S CB 0.134 63.468 63.200 0.224 0.000 0.996 39 S HN 0.198 nan 8.310 nan 0.000 0.487 40 P HA -0.036 nan 4.420 nan 0.000 0.225 40 P C 1.167 178.470 177.300 0.005 0.000 1.148 40 P CA 1.081 64.190 63.100 0.016 0.000 0.779 40 P CB -0.025 31.701 31.700 0.042 0.000 0.780 41 M N -1.442 118.172 119.600 0.023 0.000 2.549 41 M HA -0.070 4.411 4.480 0.002 0.000 0.260 41 M C 1.871 178.002 176.300 -0.282 0.000 1.076 41 M CA 0.960 56.206 55.300 -0.090 0.000 1.090 41 M CB -0.648 31.937 32.600 -0.024 0.000 1.418 41 M HN -0.025 nan 8.290 nan 0.000 0.486 42 L N -0.110 121.003 121.223 -0.184 0.000 2.129 42 L HA -0.239 4.102 4.340 0.002 0.000 0.212 42 L C 2.722 179.434 176.870 -0.263 0.000 1.087 42 L CA 1.316 56.027 54.840 -0.214 0.000 0.757 42 L CB -0.656 41.366 42.059 -0.062 0.000 0.896 42 L HN 0.341 nan 8.230 nan 0.000 0.434 43 A N -0.128 122.564 122.820 -0.213 0.000 1.933 43 A HA -0.134 4.188 4.320 0.002 0.000 0.218 43 A C 2.341 179.750 177.584 -0.290 0.000 1.175 43 A CA 1.649 53.543 52.037 -0.239 0.000 0.628 43 A CB -1.022 17.884 19.000 -0.158 0.000 0.814 43 A HN 0.468 nan 8.150 nan 0.000 0.444 44 G N -0.607 108.032 108.800 -0.270 0.000 2.408 44 G HA2 -0.054 3.907 3.960 0.002 0.000 0.217 44 G HA3 -0.054 3.907 3.960 0.002 0.000 0.217 44 G C 1.462 176.169 174.900 -0.322 0.000 1.150 44 G CA 1.129 46.077 45.100 -0.254 0.000 0.776 44 G HN 0.314 nan 8.290 nan 0.000 0.542 45 V N 0.883 120.513 119.914 -0.474 0.000 2.343 45 V HA -0.158 3.963 4.120 0.002 0.000 0.247 45 V C 2.664 178.485 176.094 -0.455 0.000 1.051 45 V CA 1.633 63.656 62.300 -0.461 0.000 1.036 45 V CB -0.550 30.948 31.823 -0.542 0.000 0.654 45 V HN 0.367 nan 8.190 nan 0.000 0.451 46 L N 0.911 121.681 121.223 -0.755 0.000 1.989 46 L HA -0.201 4.140 4.340 0.002 0.000 0.211 46 L C 2.109 178.729 176.870 -0.416 0.000 1.071 46 L CA 2.574 56.819 54.840 -0.991 0.000 0.749 46 L CB -0.992 40.348 42.059 -1.198 0.000 0.890 46 L HN 0.394 nan 8.230 nan 0.000 0.431 47 D N -1.069 119.163 120.400 -0.279 0.000 2.149 47 D HA -0.207 4.434 4.640 0.002 0.000 0.198 47 D C 2.325 178.606 176.300 -0.031 0.000 0.990 47 D CA 1.332 55.272 54.000 -0.101 0.000 0.839 47 D CB -0.076 40.657 40.800 -0.111 0.000 0.948 47 D HN 0.588 nan 8.370 nan 0.000 0.460 48 S N -0.604 115.069 115.700 -0.046 0.000 2.469 48 S HA -0.142 4.329 4.470 0.002 0.000 0.238 48 S C 2.097 176.725 174.600 0.047 0.000 0.998 48 S CA 0.585 58.833 58.200 0.079 0.000 0.957 48 S CB -0.708 62.607 63.200 0.193 0.000 0.764 48 S HN 0.400 nan 8.310 nan 0.000 0.514 49 I N -0.704 119.770 120.570 -0.159 0.000 2.394 49 I HA -0.081 4.091 4.170 0.002 0.000 0.251 49 I C 1.345 177.210 176.117 -0.420 0.000 1.136 49 I CA 1.177 62.238 61.300 -0.398 0.000 1.425 49 I CB -0.217 37.320 38.000 -0.771 0.000 1.079 49 I HN 0.306 nan 8.210 nan 0.000 0.425 50 Y N -0.124 120.197 120.300 0.035 0.000 2.500 50 Y HA 0.230 4.781 4.550 0.002 0.000 0.246 50 Y C 1.536 177.488 175.900 0.087 0.000 1.146 50 Y CA -0.727 57.409 58.100 0.061 0.000 1.230 50 Y CB -0.261 38.195 38.460 -0.007 0.000 1.214 50 Y HN -0.012 nan 8.280 nan 0.000 0.526 51 S N 0.284 116.105 115.700 0.203 0.000 2.634 51 S HA 0.175 4.647 4.470 0.002 0.000 0.261 51 S C -1.640 173.068 174.600 0.179 0.000 1.271 51 S CA -0.950 57.347 58.200 0.161 0.000 0.985 51 S CB 1.101 64.371 63.200 0.118 0.000 0.968 51 S HN -0.069 nan 8.310 nan 0.000 0.568 52 P HA 0.006 nan 4.420 nan 0.000 0.222 52 P C 0.985 178.402 177.300 0.194 0.000 1.147 52 P CA 1.178 64.364 63.100 0.142 0.000 0.790 52 P CB -0.339 31.426 31.700 0.109 0.000 0.780 53 T N -4.097 110.622 114.554 0.275 0.000 3.188 53 T HA 0.165 4.517 4.350 0.002 0.000 0.250 53 T C 0.742 175.668 174.700 0.377 0.000 1.077 53 T CA -0.430 61.910 62.100 0.399 0.000 0.967 53 T CB -0.386 68.800 68.868 0.531 0.000 1.006 53 T HN -0.129 nan 8.240 nan 0.000 0.552 54 R N 2.019 122.681 120.500 0.269 0.000 2.522 54 R HA 0.255 4.596 4.340 0.002 0.000 0.284 54 R C -0.354 175.996 176.300 0.083 0.000 1.032 54 R CA -0.522 55.699 56.100 0.202 0.000 1.049 54 R CB -0.479 29.962 30.300 0.236 0.000 0.956 54 R HN 0.407 nan 8.270 nan 0.000 0.422 55 I N 6.315 126.823 120.570 -0.103 0.000 2.379 55 I HA 0.028 4.199 4.170 0.002 0.000 0.290 55 I C 1.077 177.061 176.117 -0.221 0.000 1.063 55 I CA 0.051 61.157 61.300 -0.322 0.000 1.351 55 I CB 1.130 38.699 38.000 -0.718 0.000 1.410 55 I HN 0.696 nan 8.210 nan 0.000 0.505 56 K N 5.137 125.320 120.400 -0.363 0.000 2.098 56 K HA 0.066 4.387 4.320 0.002 0.000 0.203 56 K C -0.512 175.701 176.600 -0.646 0.000 1.051 56 K CA 1.041 56.889 56.287 -0.732 0.000 0.957 56 K CB 0.215 31.802 32.500 -1.523 0.000 0.738 56 K HN 0.392 nan 8.250 nan 0.000 0.447 57 Y N -0.417 119.826 120.300 -0.094 0.000 2.609 57 Y HA 0.310 4.862 4.550 0.002 0.000 0.342 57 Y C -2.595 173.116 175.900 -0.315 0.000 1.058 57 Y CA -3.709 54.294 58.100 -0.162 0.000 1.055 57 Y CB 0.456 38.842 38.460 -0.123 0.000 1.292 57 Y HN -0.152 nan 8.280 nan 0.000 0.476 58 P HA 0.190 nan 4.420 nan 0.000 0.267 58 P C -0.753 176.392 177.300 -0.259 0.000 1.205 58 P CA 0.331 63.104 63.100 -0.544 0.000 0.765 58 P CB 0.438 31.577 31.700 -0.935 0.000 0.828 59 M N 2.155 121.626 119.600 -0.214 0.000 2.501 59 M HA 0.438 4.920 4.480 0.002 0.000 0.293 59 M C -0.975 175.334 176.300 0.015 0.000 1.192 59 M CA -0.993 54.262 55.300 -0.074 0.000 0.886 59 M CB 2.143 34.682 32.600 -0.102 0.000 1.710 59 M HN -0.049 nan 8.290 nan 0.000 0.457 60 V N 1.467 121.471 119.914 0.151 0.000 2.588 60 V HA 0.503 4.624 4.120 0.002 0.000 0.304 60 V C 0.086 176.371 176.094 0.318 0.000 1.042 60 V CA -0.954 61.472 62.300 0.210 0.000 0.877 60 V CB 2.228 34.145 31.823 0.156 0.000 0.996 60 V HN 0.882 nan 8.190 nan 0.000 0.425 61 R N 3.160 123.822 120.500 0.270 0.000 2.522 61 R HA 0.133 4.474 4.340 0.002 0.000 0.284 61 R C 1.582 177.907 176.300 0.042 0.000 1.032 61 R CA 0.006 56.100 56.100 -0.009 0.000 1.049 61 R CB 0.383 30.601 30.300 -0.138 0.000 0.956 61 R HN 0.788 nan 8.270 nan 0.000 0.422 62 R N 3.310 123.790 120.500 -0.033 0.000 2.112 62 R HA -0.257 4.084 4.340 0.002 0.000 0.242 62 R C 1.027 177.340 176.300 0.021 0.000 1.137 62 R CA 2.567 58.667 56.100 0.000 0.000 0.944 62 R CB -0.066 30.212 30.300 -0.037 0.000 0.857 62 R HN 0.765 nan 8.270 nan 0.000 0.435 63 E N -0.227 119.979 120.200 0.009 0.000 2.097 63 E HA -0.217 4.134 4.350 0.002 0.000 0.196 63 E C 1.603 178.253 176.600 0.084 0.000 1.000 63 E CA 1.778 58.197 56.400 0.032 0.000 0.804 63 E CB -0.381 29.334 29.700 0.026 0.000 0.740 63 E HN 0.407 nan 8.360 nan 0.000 0.454 64 F N 0.491 120.438 119.950 -0.006 0.000 2.163 64 F HA -0.055 4.473 4.527 0.002 0.000 0.297 64 F C 1.953 177.765 175.800 0.019 0.000 1.094 64 F CA 0.932 58.944 58.000 0.019 0.000 1.290 64 F CB -0.043 38.980 39.000 0.038 0.000 1.017 64 F HN -0.007 nan 8.300 nan 0.000 0.483 65 L N 0.093 121.408 121.223 0.154 0.000 2.042 65 L HA -0.244 4.098 4.340 0.002 0.000 0.210 65 L C 2.119 178.962 176.870 -0.045 0.000 1.076 65 L CA 1.999 56.874 54.840 0.058 0.000 0.749 65 L CB -0.424 41.685 42.059 0.082 0.000 0.893 65 L HN 0.266 nan 8.230 nan 0.000 0.432 66 E N -0.727 119.451 120.200 -0.037 0.000 2.122 66 E HA -0.162 4.189 4.350 0.002 0.000 0.190 66 E C 1.491 178.041 176.600 -0.084 0.000 0.977 66 E CA 0.849 57.220 56.400 -0.049 0.000 0.820 66 E CB 0.295 29.979 29.700 -0.027 0.000 0.770 66 E HN 0.394 nan 8.360 nan 0.000 0.462 67 K N -0.946 119.383 120.400 -0.118 0.000 2.477 67 K HA 0.177 4.498 4.320 0.002 0.000 0.208 67 K C 0.660 177.126 176.600 -0.223 0.000 1.117 67 K CA 0.287 56.497 56.287 -0.129 0.000 1.039 67 K CB 1.742 34.203 32.500 -0.066 0.000 0.937 67 K HN 0.179 nan 8.250 nan 0.000 0.570 68 G N 1.365 109.879 108.800 -0.477 0.000 2.622 68 G HA2 -0.421 3.541 3.960 0.002 0.000 0.307 68 G HA3 -0.421 3.541 3.960 0.002 0.000 0.307 68 G C 1.004 175.729 174.900 -0.291 0.000 1.226 68 G CA 0.886 45.544 45.100 -0.736 0.000 0.997 68 G HN 0.313 nan 8.290 nan 0.000 0.551 69 V N -1.011 118.842 119.914 -0.102 0.000 2.867 69 V HA -0.006 4.116 4.120 0.002 0.000 0.260 69 V C 1.960 178.075 176.094 0.035 0.000 1.099 69 V CA 2.721 65.047 62.300 0.044 0.000 1.122 69 V CB -0.403 31.463 31.823 0.073 0.000 0.708 69 V HN 0.588 nan 8.190 nan 0.000 0.490 70 N N 1.244 119.940 118.700 -0.007 0.000 2.398 70 N HA 0.307 5.048 4.740 0.002 0.000 0.188 70 N C 0.939 176.456 175.510 0.013 0.000 1.122 70 N CA 0.786 53.839 53.050 0.004 0.000 0.866 70 N CB 0.282 38.762 38.487 -0.012 0.000 0.970 70 N HN 0.696 nan 8.380 nan 0.000 0.462 71 A N 1.028 123.862 122.820 0.023 0.000 2.536 71 A HA -0.036 4.285 4.320 0.002 0.000 0.234 71 A C 0.313 177.931 177.584 0.057 0.000 1.076 71 A CA -0.048 52.017 52.037 0.047 0.000 0.769 71 A CB 0.113 19.179 19.000 0.111 0.000 1.020 71 A HN 0.140 nan 8.150 nan 0.000 0.508 72 D N 0.112 120.538 120.400 0.043 0.000 2.339 72 D HA 0.178 4.820 4.640 0.002 0.000 0.256 72 D C 0.959 177.294 176.300 0.058 0.000 1.214 72 D CA 0.083 54.107 54.000 0.040 0.000 0.877 72 D CB 0.455 41.268 40.800 0.021 0.000 1.111 72 D HN 0.457 nan 8.370 nan 0.000 0.478 73 R N 1.690 122.233 120.500 0.071 0.000 2.300 73 R HA 0.006 4.348 4.340 0.002 0.000 0.199 73 R C 1.853 178.208 176.300 0.091 0.000 0.920 73 R CA 0.469 56.627 56.100 0.096 0.000 1.046 73 R CB 0.160 30.526 30.300 0.111 0.000 0.984 73 R HN 0.463 nan 8.270 nan 0.000 0.493 74 S N 0.001 115.740 115.700 0.065 0.000 2.522 74 S HA -0.078 4.394 4.470 0.002 0.000 0.227 74 S C 1.653 176.275 174.600 0.037 0.000 0.986 74 S CA 1.043 59.280 58.200 0.061 0.000 0.929 74 S CB -0.104 63.124 63.200 0.046 0.000 0.769 74 S HN 0.297 nan 8.310 nan 0.000 0.529 75 T N -0.966 113.593 114.554 0.009 0.000 3.122 75 T HA 0.323 4.674 4.350 0.002 0.000 0.250 75 T C 0.539 175.183 174.700 -0.094 0.000 1.067 75 T CA -0.620 61.454 62.100 -0.043 0.000 0.966 75 T CB -0.319 68.514 68.868 -0.058 0.000 1.002 75 T HN 0.246 nan 8.240 nan 0.000 0.542 76 R N 0.949 121.423 120.500 -0.043 0.000 2.538 76 R HA 0.384 4.726 4.340 0.002 0.000 0.282 76 R C 1.467 177.582 176.300 -0.308 0.000 1.009 76 R CA 1.235 57.278 56.100 -0.095 0.000 1.063 76 R CB 0.054 30.410 30.300 0.093 0.000 0.945 76 R HN 0.547 nan 8.270 nan 0.000 0.414 77 G N 2.327 110.805 108.800 -0.536 0.000 2.213 77 G HA2 -0.298 3.663 3.960 0.002 0.000 0.226 77 G HA3 -0.298 3.663 3.960 0.002 0.000 0.226 77 G C 0.595 175.219 174.900 -0.459 0.000 0.992 77 G CA 0.231 44.808 45.100 -0.872 0.000 0.632 77 G HN 0.719 nan 8.290 nan 0.000 0.511 78 N N 1.384 119.879 118.700 -0.343 0.000 2.521 78 N HA 0.342 5.084 4.740 0.002 0.000 0.188 78 N C 1.763 177.120 175.510 -0.254 0.000 1.146 78 N CA 1.361 54.259 53.050 -0.253 0.000 0.893 78 N CB -0.418 37.953 38.487 -0.192 0.000 0.975 78 N HN 1.780 nan 8.380 nan 0.000 0.451 79 G N -0.131 108.480 108.800 -0.315 0.000 2.159 79 G HA2 -0.287 3.674 3.960 0.002 0.000 0.256 79 G HA3 -0.287 3.674 3.960 0.002 0.000 0.256 79 G C -0.412 174.344 174.900 -0.240 0.000 0.977 79 G CA 0.244 45.214 45.100 -0.217 0.000 0.652 79 G HN 0.578 nan 8.290 nan 0.000 0.531 80 D N 0.531 120.697 120.400 -0.390 0.000 2.517 80 D HA 0.519 5.161 4.640 0.002 0.000 0.220 80 D C 0.000 176.095 176.300 -0.343 0.000 1.158 80 D CA -0.256 53.581 54.000 -0.273 0.000 0.992 80 D CB -0.541 40.132 40.800 -0.211 0.000 1.058 80 D HN 0.122 nan 8.370 nan 0.000 0.516 81 F N 1.092 120.999 119.950 -0.072 0.000 2.523 81 F HA 0.520 5.049 4.527 0.002 0.000 0.329 81 F C 0.293 176.075 175.800 -0.029 0.000 1.061 81 F CA -1.007 56.971 58.000 -0.037 0.000 0.967 81 F CB 1.724 40.705 39.000 -0.031 0.000 1.218 81 F HN -0.151 nan 8.300 nan 0.000 0.480 82 V N 2.211 122.251 119.914 0.209 0.000 2.531 82 V HA 0.424 4.546 4.120 0.002 0.000 0.301 82 V C -0.221 175.913 176.094 0.067 0.000 1.034 82 V CA -1.110 61.246 62.300 0.094 0.000 0.865 82 V CB 1.731 33.588 31.823 0.057 0.000 0.995 82 V HN 0.658 nan 8.190 nan 0.000 0.424 83 R N 3.452 123.956 120.500 0.008 0.000 2.491 83 R HA 0.594 4.936 4.340 0.002 0.000 0.283 83 R C -0.588 175.671 176.300 -0.068 0.000 1.072 83 R CA -0.086 55.985 56.100 -0.049 0.000 1.048 83 R CB 1.151 31.369 30.300 -0.137 0.000 0.983 83 R HN 0.697 nan 8.270 nan 0.000 0.450 84 V N 0.465 120.326 119.914 -0.089 0.000 3.141 84 V HA 0.604 4.725 4.120 0.002 0.000 0.312 84 V C -0.182 175.847 176.094 -0.107 0.000 1.157 84 V CA -0.900 61.354 62.300 -0.076 0.000 1.041 84 V CB 1.720 33.516 31.823 -0.045 0.000 1.071 84 V HN 0.936 nan 8.190 nan 0.000 0.441 85 S N -0.014 115.654 115.700 -0.053 0.000 2.645 85 S HA 0.291 4.762 4.470 0.002 0.000 0.266 85 S C 0.399 175.003 174.600 0.007 0.000 1.258 85 S CA -0.028 58.164 58.200 -0.012 0.000 0.990 85 S CB 0.552 63.781 63.200 0.047 0.000 0.967 85 S HN 0.905 nan 8.310 nan 0.000 0.556 86 W N 0.503 121.813 121.300 0.017 0.000 2.358 86 W HA -0.071 4.590 4.660 0.003 0.000 0.303 86 W C 1.995 178.518 176.519 0.006 0.000 1.208 86 W CA 1.164 58.513 57.345 0.007 0.000 1.274 86 W CB -0.217 29.246 29.460 0.005 0.000 1.138 86 W HN 0.734 nan 8.180 nan 0.000 0.515 87 D N -0.410 120.140 120.400 0.250 0.000 2.117 87 D HA -0.206 4.436 4.640 0.002 0.000 0.197 87 D C 1.890 178.260 176.300 0.116 0.000 0.987 87 D CA 1.486 55.580 54.000 0.157 0.000 0.829 87 D CB -0.506 40.358 40.800 0.107 0.000 0.961 87 D HN 0.357 nan 8.370 nan 0.000 0.460 88 Q N 0.485 120.337 119.800 0.087 0.000 2.084 88 Q HA -0.084 4.257 4.340 0.002 0.000 0.202 88 Q C 2.260 178.299 176.000 0.065 0.000 0.978 88 Q CA 1.485 57.325 55.803 0.062 0.000 0.844 88 Q CB -0.113 28.646 28.738 0.036 0.000 0.898 88 Q HN 0.207 nan 8.270 nan 0.000 0.426 89 A N 0.628 123.476 122.820 0.047 0.000 1.877 89 A HA -0.175 4.146 4.320 0.002 0.000 0.216 89 A C 2.048 179.691 177.584 0.099 0.000 1.186 89 A CA 1.244 53.297 52.037 0.027 0.000 0.620 89 A CB -0.703 18.231 19.000 -0.110 0.000 0.822 89 A HN 0.303 nan 8.150 nan 0.000 0.443 90 L N -0.610 120.713 121.223 0.165 0.000 2.056 90 L HA -0.170 4.171 4.340 0.002 0.000 0.207 90 L C 2.101 179.045 176.870 0.123 0.000 1.078 90 L CA 1.309 56.249 54.840 0.167 0.000 0.749 90 L CB -0.661 41.506 42.059 0.180 0.000 0.901 90 L HN 0.262 nan 8.230 nan 0.000 0.433 91 D N 0.067 120.530 120.400 0.105 0.000 2.123 91 D HA -0.199 4.442 4.640 0.002 0.000 0.196 91 D C 2.052 178.410 176.300 0.097 0.000 0.992 91 D CA 1.141 55.194 54.000 0.089 0.000 0.833 91 D CB -0.169 40.675 40.800 0.074 0.000 0.954 91 D HN 0.104 nan 8.370 nan 0.000 0.455 92 L N 0.350 121.636 121.223 0.106 0.000 2.056 92 L HA -0.105 4.236 4.340 0.002 0.000 0.207 92 L C 2.188 179.146 176.870 0.146 0.000 1.078 92 L CA 1.219 56.138 54.840 0.131 0.000 0.749 92 L CB -0.408 41.737 42.059 0.144 0.000 0.901 92 L HN -0.109 nan 8.230 nan 0.000 0.433 93 V N -0.133 119.860 119.914 0.132 0.000 2.307 93 V HA -0.258 3.863 4.120 0.002 0.000 0.245 93 V C 2.765 178.961 176.094 0.170 0.000 1.045 93 V CA 1.586 63.974 62.300 0.147 0.000 1.024 93 V CB -1.249 30.678 31.823 0.173 0.000 0.651 93 V HN 0.578 nan 8.190 nan 0.000 0.449 94 A N -0.044 122.865 122.820 0.148 0.000 1.902 94 A HA -0.119 4.202 4.320 0.002 0.000 0.217 94 A C 2.411 180.066 177.584 0.117 0.000 1.181 94 A CA 2.102 54.216 52.037 0.128 0.000 0.623 94 A CB -0.772 18.286 19.000 0.097 0.000 0.818 94 A HN 0.570 nan 8.150 nan 0.000 0.443 95 A N -0.620 122.267 122.820 0.112 0.000 1.902 95 A HA -0.136 4.185 4.320 0.002 0.000 0.217 95 A C 1.987 179.644 177.584 0.121 0.000 1.181 95 A CA 1.677 53.776 52.037 0.102 0.000 0.623 95 A CB -0.382 18.672 19.000 0.091 0.000 0.818 95 A HN 0.446 nan 8.150 nan 0.000 0.443 96 E N -0.168 120.124 120.200 0.153 0.000 2.072 96 E HA -0.088 4.263 4.350 0.002 0.000 0.191 96 E C 2.239 178.943 176.600 0.173 0.000 0.985 96 E CA 1.169 57.676 56.400 0.179 0.000 0.801 96 E CB -0.522 29.309 29.700 0.218 0.000 0.750 96 E HN 0.370 nan 8.360 nan 0.000 0.452 97 V N 1.791 121.809 119.914 0.174 0.000 2.295 97 V HA -0.271 3.850 4.120 0.002 0.000 0.246 97 V C 2.574 178.752 176.094 0.140 0.000 1.049 97 V CA 2.099 64.505 62.300 0.175 0.000 1.024 97 V CB -0.442 31.493 31.823 0.187 0.000 0.648 97 V HN 0.238 nan 8.190 nan 0.000 0.447 98 K N 0.312 120.782 120.400 0.116 0.000 2.026 98 K HA -0.226 4.096 4.320 0.002 0.000 0.208 98 K C 2.407 179.057 176.600 0.083 0.000 1.048 98 K CA 1.739 58.079 56.287 0.089 0.000 0.929 98 K CB -0.235 32.309 32.500 0.073 0.000 0.713 98 K HN 0.323 nan 8.250 nan 0.000 0.439 99 R N 0.447 121.002 120.500 0.092 0.000 2.091 99 R HA -0.121 4.220 4.340 0.002 0.000 0.238 99 R C 1.988 178.343 176.300 0.093 0.000 1.136 99 R CA 1.745 57.891 56.100 0.077 0.000 0.959 99 R CB -0.217 30.137 30.300 0.089 0.000 0.856 99 R HN 0.120 nan 8.270 nan 0.000 0.437 100 V N 1.469 121.482 119.914 0.164 0.000 2.379 100 V HA -0.160 3.961 4.120 0.002 0.000 0.245 100 V C 2.260 178.477 176.094 0.206 0.000 1.044 100 V CA 1.738 64.192 62.300 0.257 0.000 1.036 100 V CB -0.383 31.605 31.823 0.276 0.000 0.664 100 V HN 0.366 nan 8.190 nan 0.000 0.453 101 E N 0.119 120.406 120.200 0.146 0.000 2.110 101 E HA -0.188 4.163 4.350 0.002 0.000 0.193 101 E C 2.189 178.832 176.600 0.071 0.000 0.988 101 E CA 1.134 57.602 56.400 0.115 0.000 0.804 101 E CB -0.123 29.636 29.700 0.099 0.000 0.745 101 E HN 0.666 nan 8.360 nan 0.000 0.458 102 E N 0.054 120.278 120.200 0.040 0.000 2.230 102 E HA -0.029 4.323 4.350 0.002 0.000 0.192 102 E C 1.976 178.542 176.600 -0.056 0.000 0.987 102 E CA 0.704 57.105 56.400 0.002 0.000 0.841 102 E CB -0.057 29.643 29.700 0.001 0.000 0.783 102 E HN 0.171 nan 8.360 nan 0.000 0.481 103 T N 0.269 114.749 114.554 -0.124 0.000 2.770 103 T HA -0.060 4.292 4.350 0.002 0.000 0.258 103 T C 1.165 175.601 174.700 -0.440 0.000 1.039 103 T CA 1.006 62.887 62.100 -0.365 0.000 1.143 103 T CB -0.178 68.328 68.868 -0.604 0.000 0.866 103 T HN 0.185 nan 8.240 nan 0.000 0.428 104 Y N 0.745 121.071 120.300 0.044 0.000 2.481 104 Y HA 0.493 5.045 4.550 0.002 0.000 0.247 104 Y C 1.458 177.383 175.900 0.042 0.000 1.151 104 Y CA -0.331 57.794 58.100 0.042 0.000 1.238 104 Y CB 0.031 38.519 38.460 0.046 0.000 1.179 104 Y HN 0.390 nan 8.280 nan 0.000 0.524 105 G N 1.582 110.472 108.800 0.149 0.000 2.828 105 G HA2 -0.227 3.734 3.960 0.002 0.000 0.463 105 G HA3 -0.227 3.734 3.960 0.002 0.000 0.463 105 G C -1.838 173.137 174.900 0.124 0.000 1.394 105 G CA -0.431 44.736 45.100 0.111 0.000 0.862 105 G HN 0.067 nan 8.290 nan 0.000 0.540 106 P HA -0.040 nan 4.420 nan 0.000 0.222 106 P C 1.158 178.512 177.300 0.090 0.000 1.147 106 P CA 1.828 64.976 63.100 0.081 0.000 0.790 106 P CB -0.061 31.656 31.700 0.028 0.000 0.780 107 E N -0.105 120.148 120.200 0.088 0.000 2.409 107 E HA -0.018 4.333 4.350 0.002 0.000 0.198 107 E C 2.181 178.835 176.600 0.091 0.000 1.024 107 E CA 1.147 57.599 56.400 0.088 0.000 0.861 107 E CB -1.147 28.600 29.700 0.079 0.000 0.788 107 E HN 0.311 nan 8.360 nan 0.000 0.521 108 G N 0.296 109.165 108.800 0.115 0.000 2.777 108 G HA2 0.048 4.009 3.960 0.002 0.000 0.211 108 G HA3 0.048 4.009 3.960 0.002 0.000 0.211 108 G C 0.187 175.144 174.900 0.094 0.000 1.149 108 G CA -0.154 44.987 45.100 0.069 0.000 0.785 108 G HN 0.087 nan 8.290 nan 0.000 0.536 109 V N 1.171 121.174 119.914 0.147 0.000 2.357 109 V HA 0.436 4.557 4.120 0.002 0.000 0.284 109 V C -1.030 175.204 176.094 0.233 0.000 1.018 109 V CA -1.155 61.254 62.300 0.182 0.000 0.841 109 V CB 1.311 33.246 31.823 0.186 0.000 0.991 109 V HN 0.161 nan 8.190 nan 0.000 0.437 110 F N 3.868 123.853 119.950 0.059 0.000 2.411 110 F HA 0.698 5.227 4.527 0.002 0.000 0.355 110 F C 0.948 176.753 175.800 0.009 0.000 1.117 110 F CA -0.557 57.463 58.000 0.034 0.000 1.139 110 F CB 1.481 40.467 39.000 -0.022 0.000 1.120 110 F HN 0.521 nan 8.300 nan 0.000 0.493 111 G N 3.500 111.958 108.800 -0.571 0.000 3.969 111 G HA2 0.208 4.169 3.960 0.002 0.000 0.291 111 G HA3 0.208 4.169 3.960 0.002 0.000 0.291 111 G C 1.120 175.501 174.900 -0.866 0.000 1.016 111 G CA 0.196 44.904 45.100 -0.654 0.000 0.819 111 G HN 0.982 nan 8.290 nan 0.000 0.493 112 G N 0.474 108.418 108.800 -1.427 0.000 2.418 112 G HA2 -0.063 3.898 3.960 0.002 0.000 0.217 112 G HA3 -0.063 3.898 3.960 0.002 0.000 0.217 112 G C 1.121 175.625 174.900 -0.660 0.000 1.158 112 G CA 1.284 45.849 45.100 -0.892 0.000 0.771 112 G HN 1.042 nan 8.290 nan 0.000 0.545 113 S N -1.334 113.726 115.700 -1.067 0.000 3.477 113 S HA -0.268 4.204 4.470 0.002 0.000 0.371 113 S C 0.245 174.683 174.600 -0.271 0.000 0.965 113 S CA 0.263 57.758 58.200 -1.174 0.000 1.239 113 S CB -1.743 61.039 63.200 -0.697 0.000 0.918 113 S HN 0.606 nan 8.310 nan 0.000 0.498 114 Y N 0.749 121.106 120.300 0.095 0.000 2.712 114 Y HA 0.412 4.963 4.550 0.002 0.000 0.333 114 Y C 0.884 177.107 175.900 0.539 0.000 1.225 114 Y CA 1.696 60.017 58.100 0.368 0.000 1.499 114 Y CB 0.278 39.024 38.460 0.476 0.000 1.288 114 Y HN 0.603 nan 8.280 nan 0.000 0.575 115 G N 4.059 112.738 108.800 -0.203 0.000 2.377 115 G HA2 0.003 3.965 3.960 0.002 0.000 0.297 115 G HA3 0.003 3.965 3.960 0.002 0.000 0.297 115 G C -1.092 173.879 174.900 0.119 0.000 1.547 115 G CA -0.949 44.231 45.100 0.133 0.000 0.833 115 G HN 0.710 nan 8.290 nan 0.000 0.583 116 W N 1.905 123.286 121.300 0.136 0.000 2.595 116 W HA 0.124 4.786 4.660 0.002 0.000 0.257 116 W C 2.184 178.780 176.519 0.129 0.000 1.267 116 W CA 1.113 58.570 57.345 0.187 0.000 1.300 116 W CB 0.130 29.711 29.460 0.202 0.000 1.120 116 W HN 1.091 nan 8.180 nan 0.000 0.618 117 K N -0.952 119.631 120.400 0.304 0.000 2.102 117 K HA -0.330 3.992 4.320 0.002 0.000 0.126 117 K C 0.096 176.881 176.600 0.309 0.000 1.412 117 K CA 1.386 57.811 56.287 0.229 0.000 0.569 117 K CB -1.895 30.656 32.500 0.086 0.000 0.531 117 K HN -0.082 nan 8.250 nan 0.000 0.961 118 S N 1.399 117.159 115.700 0.099 0.000 2.599 118 S HA 0.607 5.079 4.470 0.002 0.000 0.287 118 S C -2.762 171.608 174.600 -0.383 0.000 1.105 118 S CA -1.050 57.073 58.200 -0.129 0.000 0.899 118 S CB 2.232 65.422 63.200 -0.016 0.000 1.100 118 S HN 0.531 nan 8.310 nan 0.000 0.482 119 P HA 0.574 nan 4.420 nan 0.000 0.274 119 P C -0.306 176.854 177.300 -0.232 0.000 1.256 119 P CA -0.012 62.818 63.100 -0.449 0.000 0.795 119 P CB 0.284 31.728 31.700 -0.427 0.000 1.038 120 G N 0.280 108.975 108.800 -0.174 0.000 2.634 120 G HA2 -0.026 3.935 3.960 0.002 0.000 0.568 120 G HA3 -0.026 3.935 3.960 0.002 0.000 0.568 120 G C 0.274 175.128 174.900 -0.077 0.000 1.495 120 G CA -0.716 44.344 45.100 -0.068 0.000 0.903 120 G HN 0.292 nan 8.290 nan 0.000 0.646 121 R N 0.967 121.435 120.500 -0.053 0.000 2.153 121 R HA 0.075 4.417 4.340 0.002 0.000 0.218 121 R C 2.345 178.538 176.300 -0.178 0.000 1.072 121 R CA 1.175 57.168 56.100 -0.178 0.000 0.990 121 R CB -0.349 29.790 30.300 -0.268 0.000 0.889 121 R HN 0.575 nan 8.270 nan 0.000 0.452 122 L N 0.052 121.276 121.223 0.000 0.000 2.185 122 L HA 0.089 4.431 4.340 0.002 0.000 0.198 122 L C 0.924 177.639 176.870 -0.258 0.000 1.079 122 L CA 1.467 56.239 54.840 -0.114 0.000 0.780 122 L CB -0.442 41.491 42.059 -0.210 0.000 0.955 122 L HN 0.084 nan 8.230 nan 0.000 0.462 123 H N 1.452 120.514 119.070 -0.014 0.000 2.983 123 H HA 0.185 4.742 4.556 0.002 0.000 0.222 123 H C -0.290 175.039 175.328 0.001 0.000 1.828 123 H CA -0.121 55.936 56.048 0.015 0.000 1.309 123 H CB -0.962 28.804 29.762 0.008 0.000 1.644 123 H HN 0.258 nan 8.280 nan 0.000 0.561 124 N N 1.867 120.589 118.700 0.036 0.000 2.645 124 N HA -0.018 4.723 4.740 0.002 0.000 0.233 124 N C 1.371 176.902 175.510 0.035 0.000 1.058 124 N CA -0.402 52.641 53.050 -0.011 0.000 0.942 124 N CB 0.035 38.467 38.487 -0.093 0.000 1.210 124 N HN 0.416 nan 8.380 nan 0.000 0.512 125 C N 1.290 120.647 119.300 0.096 0.000 2.425 125 C HA -0.100 4.362 4.460 0.002 0.000 0.277 125 C C 2.374 177.412 174.990 0.081 0.000 1.280 125 C CA 1.312 60.433 59.018 0.172 0.000 1.744 125 C CB -1.529 26.339 27.740 0.213 0.000 1.989 125 C HN 0.705 nan 8.230 nan 0.000 0.491 126 T N -1.368 113.183 114.554 -0.004 0.000 2.857 126 T HA -0.098 4.254 4.350 0.002 0.000 0.266 126 T C 1.622 176.215 174.700 -0.178 0.000 1.048 126 T CA 2.119 64.157 62.100 -0.103 0.000 1.139 126 T CB -1.177 67.642 68.868 -0.081 0.000 0.874 126 T HN 0.558 nan 8.240 nan 0.000 0.455 127 T N 2.336 116.807 114.554 -0.137 0.000 2.821 127 T HA 0.157 4.509 4.350 0.002 0.000 0.267 127 T C 1.878 176.445 174.700 -0.222 0.000 1.046 127 T CA 0.933 62.928 62.100 -0.175 0.000 1.139 127 T CB -0.486 68.292 68.868 -0.149 0.000 0.871 127 T HN 0.277 nan 8.240 nan 0.000 0.454 128 L N 0.468 121.592 121.223 -0.165 0.000 2.083 128 L HA -0.052 4.289 4.340 0.002 0.000 0.209 128 L C 2.409 178.939 176.870 -0.566 0.000 1.083 128 L CA 0.772 55.519 54.840 -0.154 0.000 0.752 128 L CB -0.515 41.652 42.059 0.180 0.000 0.899 128 L HN 0.246 nan 8.230 nan 0.000 0.433 129 L N -0.139 120.615 121.223 -0.782 0.000 2.046 129 L HA -0.175 4.167 4.340 0.002 0.000 0.208 129 L C 2.656 179.014 176.870 -0.854 0.000 1.077 129 L CA 1.679 55.747 54.840 -1.287 0.000 0.747 129 L CB -0.430 41.147 42.059 -0.803 0.000 0.896 129 L HN 0.063 nan 8.230 nan 0.000 0.432 130 R N -0.770 119.349 120.500 -0.635 0.000 2.148 130 R HA -0.110 4.231 4.340 0.002 0.000 0.227 130 R C 2.412 178.500 176.300 -0.353 0.000 1.103 130 R CA 1.140 56.856 56.100 -0.639 0.000 0.983 130 R CB -0.351 29.621 30.300 -0.546 0.000 0.874 130 R HN 0.418 nan 8.270 nan 0.000 0.451 131 R N 0.591 120.928 120.500 -0.271 0.000 2.075 131 R HA -0.074 4.267 4.340 0.002 0.000 0.232 131 R C 2.256 178.545 176.300 -0.018 0.000 1.126 131 R CA 1.170 57.190 56.100 -0.134 0.000 0.963 131 R CB -0.052 30.120 30.300 -0.212 0.000 0.858 131 R HN 0.116 nan 8.270 nan 0.000 0.435 132 M N 0.697 120.244 119.600 -0.088 0.000 2.123 132 M HA -0.105 4.377 4.480 0.002 0.000 0.263 132 M C 1.875 178.098 176.300 -0.128 0.000 1.069 132 M CA 1.586 56.820 55.300 -0.110 0.000 1.133 132 M CB -0.311 32.054 32.600 -0.391 0.000 1.356 132 M HN 0.261 nan 8.290 nan 0.000 0.415 133 L N -0.479 120.606 121.223 -0.230 0.000 2.201 133 L HA -0.170 4.171 4.340 0.002 0.000 0.212 133 L C 2.211 179.125 176.870 0.072 0.000 1.105 133 L CA 1.211 55.989 54.840 -0.103 0.000 0.775 133 L CB -0.946 40.980 42.059 -0.222 0.000 0.913 133 L HN 0.298 nan 8.230 nan 0.000 0.440 134 T N 0.297 114.900 114.554 0.082 0.000 2.746 134 T HA -0.132 4.219 4.350 0.002 0.000 0.267 134 T C 1.929 176.675 174.700 0.076 0.000 1.039 134 T CA 1.155 63.334 62.100 0.132 0.000 1.142 134 T CB -0.171 68.763 68.868 0.110 0.000 0.866 134 T HN 0.218 nan 8.240 nan 0.000 0.444 135 L N 0.612 121.871 121.223 0.059 0.000 2.275 135 L HA 0.051 4.392 4.340 0.002 0.000 0.215 135 L C 2.701 179.603 176.870 0.052 0.000 1.119 135 L CA 0.743 55.619 54.840 0.060 0.000 0.790 135 L CB -0.448 41.660 42.059 0.081 0.000 0.919 135 L HN 0.218 nan 8.230 nan 0.000 0.443 136 A N -0.798 122.052 122.820 0.050 0.000 2.218 136 A HA 0.338 4.659 4.320 0.002 0.000 0.209 136 A C 1.719 179.342 177.584 0.065 0.000 1.168 136 A CA 0.892 52.962 52.037 0.056 0.000 0.804 136 A CB -0.098 18.936 19.000 0.057 0.000 0.834 136 A HN 0.487 nan 8.150 nan 0.000 0.482 137 G N -3.225 105.616 108.800 0.067 0.000 2.318 137 G HA2 0.416 4.378 3.960 0.002 0.000 0.172 137 G HA3 0.416 4.378 3.960 0.002 0.000 0.172 137 G C 0.981 175.918 174.900 0.061 0.000 1.002 137 G CA 0.332 45.467 45.100 0.059 0.000 0.697 137 G HN 2.273 nan 8.290 nan 0.000 0.483 138 G N -1.072 107.789 108.800 0.101 0.000 2.381 138 G HA2 0.631 4.593 3.960 0.002 0.000 0.672 138 G HA3 0.631 4.593 3.960 0.002 0.000 0.672 138 G C -0.725 174.282 174.900 0.179 0.000 1.324 138 G CA 0.104 45.248 45.100 0.075 0.000 0.975 138 G HN 2.061 nan 8.290 nan 0.000 0.593 139 Y N -3.543 116.751 120.300 -0.010 0.000 2.702 139 Y HA 0.676 5.228 4.550 0.002 0.000 0.336 139 Y C -0.548 175.350 175.900 -0.004 0.000 1.203 139 Y CA -1.474 56.618 58.100 -0.015 0.000 1.072 139 Y CB 0.608 39.020 38.460 -0.080 0.000 1.327 139 Y HN 0.884 nan 8.280 nan 0.000 0.456 140 V N 2.967 122.977 119.914 0.161 0.000 2.498 140 V HA 0.325 4.446 4.120 0.002 0.000 0.279 140 V C -0.247 175.949 176.094 0.169 0.000 1.048 140 V CA -0.202 62.193 62.300 0.158 0.000 0.967 140 V CB 0.901 32.914 31.823 0.317 0.000 0.988 140 V HN 0.784 nan 8.190 nan 0.000 0.473 141 N N 2.469 121.232 118.700 0.107 0.000 2.525 141 N HA 0.681 5.422 4.740 0.002 0.000 0.288 141 N C -0.114 175.466 175.510 0.116 0.000 1.242 141 N CA -0.052 53.045 53.050 0.079 0.000 0.905 141 N CB 2.094 40.656 38.487 0.125 0.000 1.258 141 N HN 0.745 nan 8.380 nan 0.000 0.551 142 G N -1.204 107.636 108.800 0.066 0.000 2.417 142 G HA2 0.728 4.690 3.960 0.002 0.000 0.334 142 G HA3 0.728 4.690 3.960 0.002 0.000 0.334 142 G C -1.445 173.509 174.900 0.089 0.000 1.150 142 G CA -0.463 44.720 45.100 0.139 0.000 0.923 142 G HN 0.605 nan 8.290 nan 0.000 0.485 143 A N 0.045 122.897 122.820 0.053 0.000 2.386 143 A HA 0.982 5.303 4.320 0.002 0.000 0.311 143 A C 0.646 178.244 177.584 0.023 0.000 1.068 143 A CA 0.470 52.534 52.037 0.046 0.000 0.743 143 A CB 1.132 20.167 19.000 0.058 0.000 1.258 143 A HN 2.647 nan 8.150 nan 0.000 0.429 144 G N 1.567 110.404 108.800 0.061 0.000 2.584 144 G HA2 0.290 4.251 3.960 0.002 0.000 0.229 144 G HA3 0.290 4.251 3.960 0.002 0.000 0.229 144 G C -0.549 174.396 174.900 0.076 0.000 1.320 144 G CA 0.891 46.021 45.100 0.051 0.000 0.891 144 G HN 2.307 nan 8.290 nan 0.000 0.573 145 D N -3.619 116.798 120.400 0.028 0.000 2.692 145 D HA 0.509 5.150 4.640 0.002 0.000 0.290 145 D C 0.042 176.291 176.300 -0.086 0.000 1.281 145 D CA -0.671 53.395 54.000 0.109 0.000 0.804 145 D CB 0.009 40.998 40.800 0.315 0.000 1.331 145 D HN 0.369 nan 8.370 nan 0.000 0.432 146 Y N -0.223 119.976 120.300 -0.169 0.000 2.511 146 Y HA 0.174 4.725 4.550 0.002 0.000 0.279 146 Y C 2.169 178.109 175.900 0.067 0.000 1.157 146 Y CA 0.679 58.713 58.100 -0.110 0.000 1.300 146 Y CB 0.354 38.683 38.460 -0.219 0.000 1.052 146 Y HN 0.321 nan 8.280 nan 0.000 0.529 147 S N -1.023 114.824 115.700 0.247 0.000 2.356 147 S HA -0.076 4.395 4.470 0.002 0.000 0.219 147 S C 1.499 176.063 174.600 -0.061 0.000 1.036 147 S CA 1.565 59.892 58.200 0.211 0.000 0.965 147 S CB -0.320 62.998 63.200 0.196 0.000 0.864 147 S HN 0.483 nan 8.310 nan 0.000 0.471 148 T N -0.645 113.760 114.554 -0.248 0.000 3.374 148 T HA 0.458 4.810 4.350 0.002 0.000 0.267 148 T C 1.343 175.911 174.700 -0.220 0.000 0.996 148 T CA 0.147 61.991 62.100 -0.426 0.000 0.977 148 T CB 0.541 68.892 68.868 -0.863 0.000 1.149 148 T HN 0.200 nan 8.240 nan 0.000 0.517 149 G N 1.901 110.637 108.800 -0.108 0.000 2.513 149 G HA2 -0.139 3.823 3.960 0.002 0.000 0.219 149 G HA3 -0.139 3.823 3.960 0.002 0.000 0.219 149 G C 1.570 176.448 174.900 -0.036 0.000 1.160 149 G CA 0.933 45.987 45.100 -0.076 0.000 0.767 149 G HN 0.777 nan 8.290 nan 0.000 0.571 150 A N 0.670 123.478 122.820 -0.021 0.000 1.878 150 A HA 0.527 4.848 4.320 0.002 0.000 0.213 150 A C 2.805 180.374 177.584 -0.025 0.000 1.192 150 A CA 1.782 53.827 52.037 0.014 0.000 0.619 150 A CB -0.759 18.276 19.000 0.058 0.000 0.837 150 A HN 0.842 nan 8.150 nan 0.000 0.446 151 A N 0.682 123.462 122.820 -0.067 0.000 1.940 151 A HA -0.245 4.077 4.320 0.002 0.000 0.219 151 A C 2.181 179.639 177.584 -0.210 0.000 1.176 151 A CA 1.833 53.788 52.037 -0.137 0.000 0.631 151 A CB -0.746 18.091 19.000 -0.272 0.000 0.814 151 A HN 0.779 nan 8.150 nan 0.000 0.446 152 Q N -0.768 118.882 119.800 -0.251 0.000 2.436 152 Q HA -0.005 4.336 4.340 0.002 0.000 0.209 152 Q C 1.330 177.240 176.000 -0.150 0.000 0.965 152 Q CA 1.599 57.256 55.803 -0.242 0.000 0.910 152 Q CB -0.239 28.351 28.738 -0.247 0.000 0.980 152 Q HN 0.365 nan 8.270 nan 0.000 0.491 153 V N 0.073 119.926 119.914 -0.101 0.000 2.795 153 V HA -0.064 4.057 4.120 0.002 0.000 0.243 153 V C 1.834 177.882 176.094 -0.077 0.000 1.069 153 V CA 0.540 62.794 62.300 -0.077 0.000 1.089 153 V CB 0.140 31.957 31.823 -0.010 0.000 0.756 153 V HN 0.291 nan 8.190 nan 0.000 0.471 154 I N -0.441 120.072 120.570 -0.096 0.000 2.584 154 I HA -0.045 4.127 4.170 0.002 0.000 0.255 154 I C 2.190 178.162 176.117 -0.242 0.000 1.145 154 I CA 1.417 62.615 61.300 -0.170 0.000 1.462 154 I CB -0.177 37.690 38.000 -0.222 0.000 1.102 154 I HN 0.098 nan 8.210 nan 0.000 0.433 155 M N 0.802 120.285 119.600 -0.194 0.000 2.080 155 M HA -0.116 4.365 4.480 0.002 0.000 0.260 155 M C -0.180 176.015 176.300 -0.176 0.000 1.068 155 M CA 2.022 57.220 55.300 -0.171 0.000 1.109 155 M CB -2.539 29.986 32.600 -0.125 0.000 1.342 155 M HN 0.096 nan 8.290 nan 0.000 0.405 156 P HA -0.148 nan 4.420 nan 0.000 0.216 156 P C 1.379 178.498 177.300 -0.301 0.000 1.150 156 P CA 1.330 64.276 63.100 -0.256 0.000 0.837 156 P CB -0.352 31.154 31.700 -0.324 0.000 0.786 157 H N -1.639 117.298 119.070 -0.223 0.000 2.495 157 H HA 0.046 4.604 4.556 0.002 0.000 0.287 157 H C 1.670 176.840 175.328 -0.262 0.000 1.033 157 H CA 0.977 56.876 56.048 -0.248 0.000 1.307 157 H CB -0.187 29.372 29.762 -0.338 0.000 1.401 157 H HN 0.056 nan 8.280 nan 0.000 0.555 158 V N 0.186 119.984 119.914 -0.194 0.000 2.788 158 V HA -0.060 4.061 4.120 0.002 0.000 0.241 158 V C 2.178 178.229 176.094 -0.072 0.000 1.083 158 V CA 1.043 63.235 62.300 -0.180 0.000 1.103 158 V CB 0.352 31.960 31.823 -0.358 0.000 0.800 158 V HN 0.305 nan 8.190 nan 0.000 0.476 159 V N -2.359 117.516 119.914 -0.065 0.000 3.477 159 V HA 0.666 4.787 4.120 0.002 0.000 0.297 159 V C 1.429 177.508 176.094 -0.026 0.000 1.433 159 V CA 0.611 62.904 62.300 -0.012 0.000 1.052 159 V CB -0.168 31.716 31.823 0.101 0.000 0.895 159 V HN 0.665 nan 8.190 nan 0.000 0.438 160 G N 1.182 109.942 108.800 -0.067 0.000 2.184 160 G HA2 -0.236 3.726 3.960 0.002 0.000 0.264 160 G HA3 -0.236 3.726 3.960 0.002 0.000 0.264 160 G C 0.251 175.106 174.900 -0.076 0.000 0.975 160 G CA 0.857 45.910 45.100 -0.078 0.000 0.642 160 G HN 1.182 nan 8.290 nan 0.000 0.536 161 T N -2.504 112.015 114.554 -0.060 0.000 2.883 161 T HA 0.631 4.982 4.350 0.002 0.000 0.296 161 T C 0.961 175.620 174.700 -0.069 0.000 1.117 161 T CA -0.139 61.927 62.100 -0.057 0.000 1.006 161 T CB 1.772 70.618 68.868 -0.036 0.000 1.191 161 T HN 0.583 nan 8.240 nan 0.000 0.508 162 L N 1.085 122.264 121.223 -0.073 0.000 2.012 162 L HA -0.022 4.319 4.340 0.002 0.000 0.210 162 L C 2.067 178.869 176.870 -0.114 0.000 1.073 162 L CA 2.893 57.670 54.840 -0.106 0.000 0.748 162 L CB -0.986 41.026 42.059 -0.078 0.000 0.891 162 L HN 1.125 nan 8.230 nan 0.000 0.431 163 E N -1.966 118.205 120.200 -0.048 0.000 5.150 163 E HA -0.315 4.036 4.350 0.002 0.000 0.167 163 E C 1.556 178.138 176.600 -0.030 0.000 1.196 163 E CA 2.170 58.573 56.400 0.005 0.000 2.189 163 E CB -1.772 27.979 29.700 0.084 0.000 1.820 163 E HN 0.419 nan 8.360 nan 0.000 0.420 164 V N -1.623 118.169 119.914 -0.204 0.000 2.515 164 V HA -0.040 4.081 4.120 0.002 0.000 0.250 164 V C 1.514 177.517 176.094 -0.152 0.000 1.058 164 V CA 2.073 64.187 62.300 -0.309 0.000 1.064 164 V CB -0.675 30.632 31.823 -0.859 0.000 0.675 164 V HN 0.321 nan 8.190 nan 0.000 0.461 165 Y N 1.185 121.530 120.300 0.075 0.000 2.781 165 Y HA 0.632 5.184 4.550 0.002 0.000 0.326 165 Y C 0.416 176.475 175.900 0.265 0.000 1.019 165 Y CA -1.517 56.698 58.100 0.192 0.000 1.372 165 Y CB -0.390 38.088 38.460 0.029 0.000 1.260 165 Y HN 0.452 nan 8.280 nan 0.000 0.546 166 E N 0.025 120.421 120.200 0.328 0.000 2.277 166 E HA 0.325 4.676 4.350 0.002 0.000 0.266 166 E C -0.884 175.755 176.600 0.065 0.000 0.901 166 E CA -1.448 55.081 56.400 0.215 0.000 0.782 166 E CB 1.804 31.544 29.700 0.068 0.000 1.228 166 E HN 0.006 nan 8.360 nan 0.000 0.424 167 Q N 2.001 121.812 119.800 0.017 0.000 2.361 167 Q HA -0.042 4.300 4.340 0.002 0.000 0.276 167 Q C -0.789 175.130 176.000 -0.134 0.000 1.022 167 Q CA 0.611 56.297 55.803 -0.194 0.000 0.898 167 Q CB 0.553 29.161 28.738 -0.215 0.000 1.246 167 Q HN 0.243 nan 8.270 nan 0.000 0.410 168 Q N 1.792 121.433 119.800 -0.267 0.000 2.193 168 Q HA 0.329 4.671 4.340 0.002 0.000 0.246 168 Q C -0.431 175.573 176.000 0.007 0.000 0.959 168 Q CA -0.551 55.080 55.803 -0.286 0.000 0.904 168 Q CB 0.950 29.171 28.738 -0.861 0.000 1.238 168 Q HN 0.705 nan 8.270 nan 0.000 0.469 169 T N 1.616 116.145 114.554 -0.040 0.000 2.905 169 T HA 0.154 4.505 4.350 0.002 0.000 0.299 169 T C 0.163 174.891 174.700 0.047 0.000 1.024 169 T CA 0.077 62.163 62.100 -0.024 0.000 1.151 169 T CB 0.128 68.953 68.868 -0.072 0.000 0.987 169 T HN 0.589 nan 8.240 nan 0.000 0.535 170 A N 3.417 126.295 122.820 0.097 0.000 2.483 170 A HA 0.192 4.514 4.320 0.002 0.000 0.238 170 A C 1.018 178.657 177.584 0.092 0.000 1.070 170 A CA -0.368 51.725 52.037 0.094 0.000 0.770 170 A CB 0.012 19.113 19.000 0.169 0.000 1.008 170 A HN 1.105 nan 8.150 nan 0.000 0.497 171 W N 1.632 123.033 121.300 0.168 0.000 2.301 171 W HA -0.189 4.473 4.660 0.002 0.000 0.325 171 W C -0.688 175.879 176.519 0.081 0.000 1.250 171 W CA 2.234 59.648 57.345 0.115 0.000 1.261 171 W CB -1.356 28.173 29.460 0.115 0.000 1.157 171 W HN 0.588 nan 8.180 nan 0.000 0.473 172 P HA -0.199 nan 4.420 nan 0.000 0.216 172 P C 1.552 178.940 177.300 0.147 0.000 1.150 172 P CA 1.854 65.077 63.100 0.205 0.000 0.843 172 P CB -0.316 31.485 31.700 0.169 0.000 0.787 173 V N -0.443 119.544 119.914 0.122 0.000 2.343 173 V HA -0.230 3.892 4.120 0.002 0.000 0.247 173 V C 2.479 178.608 176.094 0.059 0.000 1.051 173 V CA 1.601 63.943 62.300 0.070 0.000 1.036 173 V CB -1.255 30.590 31.823 0.037 0.000 0.654 173 V HN 0.081 nan 8.190 nan 0.000 0.451 174 L N 0.134 121.403 121.223 0.075 0.000 2.046 174 L HA -0.147 4.194 4.340 0.002 0.000 0.208 174 L C 2.767 179.685 176.870 0.080 0.000 1.077 174 L CA 1.573 56.445 54.840 0.052 0.000 0.747 174 L CB -0.936 41.151 42.059 0.047 0.000 0.896 174 L HN 0.370 nan 8.230 nan 0.000 0.432 175 A N -0.316 122.582 122.820 0.129 0.000 1.933 175 A HA -0.170 4.152 4.320 0.002 0.000 0.218 175 A C 2.139 179.768 177.584 0.075 0.000 1.175 175 A CA 1.471 53.576 52.037 0.114 0.000 0.628 175 A CB -0.239 18.840 19.000 0.130 0.000 0.814 175 A HN 0.338 nan 8.150 nan 0.000 0.444 176 E N -0.448 119.791 120.200 0.066 0.000 2.385 176 E HA 0.033 4.384 4.350 0.002 0.000 0.194 176 E C 0.906 177.526 176.600 0.033 0.000 1.013 176 E CA 0.374 56.803 56.400 0.048 0.000 0.866 176 E CB -0.038 29.690 29.700 0.047 0.000 0.832 176 E HN 0.680 nan 8.360 nan 0.000 0.500 177 N N -0.319 118.396 118.700 0.026 0.000 2.474 177 N HA 0.017 4.758 4.740 0.002 0.000 0.224 177 N C 0.148 175.658 175.510 -0.001 0.000 1.092 177 N CA 0.214 53.270 53.050 0.010 0.000 0.844 177 N CB 0.624 39.112 38.487 0.002 0.000 1.381 177 N HN -0.081 nan 8.380 nan 0.000 0.458 178 T N 1.681 116.230 114.554 -0.007 0.000 2.901 178 T HA 0.114 4.466 4.350 0.002 0.000 0.301 178 T C 1.071 175.758 174.700 -0.022 0.000 1.012 178 T CA 0.465 62.548 62.100 -0.029 0.000 1.135 178 T CB 1.369 70.206 68.868 -0.052 0.000 0.936 178 T HN 0.151 nan 8.240 nan 0.000 0.539 179 E N 1.248 121.433 120.200 -0.025 0.000 2.372 179 E HA 0.165 4.517 4.350 0.002 0.000 0.201 179 E C -0.169 176.417 176.600 -0.023 0.000 0.938 179 E CA 0.135 56.527 56.400 -0.013 0.000 0.944 179 E CB 0.740 30.441 29.700 0.002 0.000 0.937 179 E HN 0.261 nan 8.360 nan 0.000 0.495 180 V N 2.254 122.142 119.914 -0.043 0.000 2.482 180 V HA 0.306 4.427 4.120 0.002 0.000 0.295 180 V C -0.998 175.006 176.094 -0.151 0.000 1.026 180 V CA -0.683 61.581 62.300 -0.059 0.000 0.856 180 V CB 1.602 33.434 31.823 0.015 0.000 1.001 180 V HN 0.116 nan 8.190 nan 0.000 0.424 181 M N 6.828 126.297 119.600 -0.219 0.000 2.149 181 M HA 0.655 5.137 4.480 0.002 0.000 0.342 181 M C -1.200 174.831 176.300 -0.449 0.000 1.068 181 M CA -0.126 54.948 55.300 -0.377 0.000 0.991 181 M CB 1.443 33.773 32.600 -0.450 0.000 1.596 181 M HN 0.371 nan 8.290 nan 0.000 0.439 182 V N 6.225 125.870 119.914 -0.447 0.000 2.417 182 V HA 0.477 4.599 4.120 0.002 0.000 0.291 182 V C -0.977 174.924 176.094 -0.322 0.000 1.024 182 V CA -0.487 61.632 62.300 -0.301 0.000 0.861 182 V CB 1.231 32.936 31.823 -0.196 0.000 0.985 182 V HN 0.652 nan 8.190 nan 0.000 0.436 183 F N 4.218 124.197 119.950 0.049 0.000 2.313 183 F HA 0.360 4.888 4.527 0.002 0.000 0.369 183 F C -0.086 175.812 175.800 0.163 0.000 1.109 183 F CA -0.708 57.359 58.000 0.112 0.000 1.132 183 F CB 0.886 39.941 39.000 0.090 0.000 1.291 183 F HN 0.532 nan 8.300 nan 0.000 0.496 184 W N 4.856 126.272 121.300 0.194 0.000 2.288 184 W HA 0.504 5.165 4.660 0.002 0.000 0.325 184 W C 0.213 176.806 176.519 0.125 0.000 1.019 184 W CA -1.152 56.279 57.345 0.143 0.000 1.403 184 W CB 1.062 30.586 29.460 0.107 0.000 1.226 184 W HN 0.735 nan 8.180 nan 0.000 0.391 185 A N 3.943 127.017 122.820 0.423 0.000 2.930 185 A HA 0.089 4.411 4.320 0.002 0.000 0.273 185 A C -0.109 177.560 177.584 0.141 0.000 1.435 185 A CA 1.294 53.506 52.037 0.292 0.000 0.780 185 A CB -1.782 17.410 19.000 0.320 0.000 1.034 185 A HN 1.473 nan 8.150 nan 0.000 0.562 186 A N -0.611 122.284 122.820 0.126 0.000 2.449 186 A HA 0.697 5.019 4.320 0.002 0.000 0.302 186 A C -0.559 177.027 177.584 0.003 0.000 1.048 186 A CA 0.328 52.358 52.037 -0.012 0.000 0.708 186 A CB 1.262 20.285 19.000 0.038 0.000 1.274 186 A HN 0.976 nan 8.150 nan 0.000 0.410 187 D N 2.922 123.297 120.400 -0.042 0.000 2.513 187 D HA 0.323 4.965 4.640 0.002 0.000 0.295 187 D C -1.727 174.515 176.300 -0.097 0.000 1.202 187 D CA -1.688 52.282 54.000 -0.049 0.000 0.849 187 D CB 1.146 41.969 40.800 0.039 0.000 1.116 187 D HN 0.151 nan 8.370 nan 0.000 0.502 188 P HA -0.161 nan 4.420 nan 0.000 0.217 188 P C 1.768 178.906 177.300 -0.269 0.000 1.148 188 P CA 0.505 63.489 63.100 -0.194 0.000 0.828 188 P CB 0.586 32.117 31.700 -0.283 0.000 0.783 189 I N 0.375 120.786 120.570 -0.264 0.000 2.286 189 I HA -0.195 3.976 4.170 0.002 0.000 0.248 189 I C 2.542 178.601 176.117 -0.096 0.000 1.115 189 I CA 1.542 62.725 61.300 -0.194 0.000 1.392 189 I CB -1.014 36.917 38.000 -0.115 0.000 1.065 189 I HN 0.103 nan 8.210 nan 0.000 0.418 190 K N 0.950 121.272 120.400 -0.131 0.000 2.021 190 K HA -0.137 4.184 4.320 0.002 0.000 0.205 190 K C 1.997 178.419 176.600 -0.296 0.000 1.047 190 K CA 1.956 58.007 56.287 -0.392 0.000 0.943 190 K CB -0.032 32.361 32.500 -0.177 0.000 0.725 190 K HN 0.362 nan 8.250 nan 0.000 0.439 191 T N -1.825 112.650 114.554 -0.132 0.000 3.113 191 T HA 0.076 4.428 4.350 0.002 0.000 0.256 191 T C 1.514 176.203 174.700 -0.018 0.000 1.131 191 T CA 0.730 62.795 62.100 -0.057 0.000 1.074 191 T CB 0.146 69.036 68.868 0.036 0.000 0.944 191 T HN 0.016 nan 8.240 nan 0.000 0.516 192 S N 1.588 117.271 115.700 -0.028 0.000 2.603 192 S HA 0.065 4.536 4.470 0.002 0.000 0.220 192 S C 1.816 176.571 174.600 0.259 0.000 0.967 192 S CA -0.024 58.199 58.200 0.038 0.000 0.920 192 S CB -0.221 62.847 63.200 -0.219 0.000 0.773 192 S HN 0.635 nan 8.310 nan 0.000 0.529 193 Q N 0.540 120.454 119.800 0.190 0.000 2.297 193 Q HA 0.035 4.377 4.340 0.002 0.000 0.204 193 Q C 0.469 176.663 176.000 0.323 0.000 0.962 193 Q CA 0.638 56.590 55.803 0.248 0.000 0.879 193 Q CB -0.267 28.524 28.738 0.090 0.000 0.947 193 Q HN 0.699 nan 8.270 nan 0.000 0.462 194 I N -4.219 116.423 120.570 0.120 0.000 3.067 194 I HA 0.781 4.953 4.170 0.002 0.000 0.312 194 I C -0.072 176.072 176.117 0.045 0.000 1.073 194 I CA -1.094 60.211 61.300 0.009 0.000 1.016 194 I CB 1.959 39.804 38.000 -0.257 0.000 1.227 194 I HN -0.177 nan 8.210 nan 0.000 0.456 195 G N 0.866 109.725 108.800 0.098 0.000 2.619 195 G HA2 0.262 4.223 3.960 0.002 0.000 0.296 195 G HA3 0.262 4.223 3.960 0.002 0.000 0.296 195 G C -0.679 174.438 174.900 0.362 0.000 1.334 195 G CA -0.653 44.526 45.100 0.133 0.000 0.934 195 G HN 0.968 nan 8.290 nan 0.000 0.476 196 W N 1.495 122.828 121.300 0.054 0.000 2.407 196 W HA 0.033 4.695 4.660 0.002 0.000 0.305 196 W C 0.754 177.294 176.519 0.036 0.000 1.196 196 W CA 1.835 59.126 57.345 -0.089 0.000 1.311 196 W CB 0.077 29.378 29.460 -0.264 0.000 1.135 196 W HN 0.438 nan 8.180 nan 0.000 0.514 197 V N 0.036 119.974 119.914 0.041 0.000 3.503 197 V HA 0.316 4.437 4.120 0.002 0.000 0.294 197 V C 0.687 176.770 176.094 -0.017 0.000 1.102 197 V CA -1.297 60.956 62.300 -0.078 0.000 0.979 197 V CB 0.147 31.949 31.823 -0.035 0.000 1.240 197 V HN -0.081 nan 8.190 nan 0.000 0.444 198 I N 2.686 123.234 120.570 -0.037 0.000 2.683 198 I HA 0.240 4.411 4.170 0.002 0.000 0.286 198 I C -2.106 174.011 176.117 0.000 0.000 1.175 198 I CA -1.827 59.464 61.300 -0.016 0.000 1.429 198 I CB -0.272 37.695 38.000 -0.056 0.000 1.371 198 I HN 0.598 nan 8.210 nan 0.000 0.569 199 P HA 0.160 nan 4.420 nan 0.000 0.284 199 P C 0.082 177.298 177.300 -0.140 0.000 1.253 199 P CA -0.264 62.792 63.100 -0.074 0.000 0.800 199 P CB 1.105 32.728 31.700 -0.128 0.000 0.961 200 E N 2.037 122.220 120.200 -0.029 0.000 2.481 200 E HA -0.074 4.278 4.350 0.002 0.000 0.198 200 E C -0.136 176.534 176.600 0.116 0.000 1.027 200 E CA -0.132 56.315 56.400 0.078 0.000 0.900 200 E CB -1.097 28.712 29.700 0.182 0.000 0.993 200 E HN 0.605 nan 8.360 nan 0.000 0.482 201 H N -0.405 118.816 119.070 0.252 0.000 2.713 201 H HA -0.142 4.416 4.556 0.002 0.000 0.311 201 H C 1.184 176.678 175.328 0.276 0.000 1.175 201 H CA 0.005 56.240 56.048 0.312 0.000 1.143 201 H CB -1.581 28.375 29.762 0.323 0.000 1.434 201 H HN 0.442 nan 8.280 nan 0.000 0.418 202 G N -0.113 108.863 108.800 0.293 0.000 2.559 202 G HA2 0.001 3.962 3.960 0.002 0.000 0.216 202 G HA3 0.001 3.962 3.960 0.002 0.000 0.216 202 G C 1.632 176.590 174.900 0.096 0.000 1.126 202 G CA 0.553 45.790 45.100 0.229 0.000 0.778 202 G HN 0.613 nan 8.290 nan 0.000 0.543 203 A N 0.039 122.870 122.820 0.018 0.000 2.014 203 A HA 0.166 4.488 4.320 0.002 0.000 0.218 203 A C 2.015 179.202 177.584 -0.662 0.000 1.163 203 A CA 0.849 52.687 52.037 -0.332 0.000 0.652 203 A CB -0.393 18.461 19.000 -0.244 0.000 0.808 203 A HN 0.376 nan 8.150 nan 0.000 0.449 204 Y N 0.331 120.451 120.300 -0.300 0.000 2.114 204 Y HA -0.097 4.455 4.550 0.002 0.000 0.284 204 Y C -0.083 175.640 175.900 -0.295 0.000 1.143 204 Y CA 2.059 59.932 58.100 -0.380 0.000 1.135 204 Y CB -1.765 36.447 38.460 -0.414 0.000 0.980 204 Y HN 0.279 nan 8.280 nan 0.000 0.499 205 P HA -0.143 nan 4.420 nan 0.000 0.215 205 P C 1.760 178.932 177.300 -0.213 0.000 1.153 205 P CA 2.169 65.225 63.100 -0.072 0.000 0.853 205 P CB -0.303 31.392 31.700 -0.009 0.000 0.788 206 G N -0.351 108.122 108.800 -0.546 0.000 2.418 206 G HA2 -0.213 3.749 3.960 0.002 0.000 0.217 206 G HA3 -0.213 3.749 3.960 0.002 0.000 0.217 206 G C 1.480 175.976 174.900 -0.674 0.000 1.158 206 G CA 0.543 45.099 45.100 -0.906 0.000 0.771 206 G HN 0.227 nan 8.290 nan 0.000 0.545 207 L N -0.126 120.719 121.223 -0.631 0.000 2.072 207 L HA 0.021 4.363 4.340 0.002 0.000 0.205 207 L C 2.903 179.880 176.870 0.178 0.000 1.079 207 L CA 0.761 55.515 54.840 -0.144 0.000 0.752 207 L CB -0.278 41.562 42.059 -0.364 0.000 0.906 207 L HN 0.106 nan 8.230 nan 0.000 0.436 208 E N 0.379 120.633 120.200 0.090 0.000 2.077 208 E HA -0.209 4.142 4.350 0.002 0.000 0.193 208 E C 2.266 178.951 176.600 0.142 0.000 0.989 208 E CA 1.397 57.921 56.400 0.207 0.000 0.800 208 E CB -0.074 29.714 29.700 0.148 0.000 0.746 208 E HN 0.454 nan 8.360 nan 0.000 0.452 209 A N 1.154 124.025 122.820 0.085 0.000 1.902 209 A HA -0.142 4.179 4.320 0.002 0.000 0.217 209 A C 2.378 180.045 177.584 0.137 0.000 1.181 209 A CA 1.027 53.121 52.037 0.094 0.000 0.623 209 A CB -0.676 18.371 19.000 0.079 0.000 0.818 209 A HN 0.190 nan 8.150 nan 0.000 0.443 210 L N -0.723 120.616 121.223 0.194 0.000 2.046 210 L HA -0.208 4.134 4.340 0.002 0.000 0.208 210 L C 2.672 179.697 176.870 0.258 0.000 1.077 210 L CA 1.951 56.926 54.840 0.224 0.000 0.747 210 L CB -0.513 41.706 42.059 0.268 0.000 0.896 210 L HN 0.455 nan 8.230 nan 0.000 0.432 211 K N 0.387 121.008 120.400 0.369 0.000 2.057 211 K HA -0.158 4.163 4.320 0.002 0.000 0.206 211 K C 2.175 178.845 176.600 0.115 0.000 1.050 211 K CA 1.258 57.708 56.287 0.272 0.000 0.935 211 K CB -0.032 32.524 32.500 0.093 0.000 0.715 211 K HN 0.257 nan 8.250 nan 0.000 0.439 212 A N 1.631 124.506 122.820 0.092 0.000 1.933 212 A HA -0.140 4.182 4.320 0.002 0.000 0.218 212 A C 1.851 179.470 177.584 0.057 0.000 1.175 212 A CA 1.376 53.447 52.037 0.056 0.000 0.628 212 A CB -0.265 18.767 19.000 0.054 0.000 0.814 212 A HN 0.175 nan 8.150 nan 0.000 0.444 213 K N -1.253 119.190 120.400 0.072 0.000 2.439 213 K HA 0.017 4.338 4.320 0.002 0.000 0.197 213 K C 1.132 177.762 176.600 0.051 0.000 1.041 213 K CA 0.773 57.095 56.287 0.058 0.000 0.970 213 K CB -0.432 32.106 32.500 0.063 0.000 0.773 213 K HN 0.826 nan 8.250 nan 0.000 0.479 214 G N 2.320 111.157 108.800 0.061 0.000 2.198 214 G HA2 -0.240 3.722 3.960 0.002 0.000 0.257 214 G HA3 -0.240 3.722 3.960 0.002 0.000 0.257 214 G C 0.165 175.090 174.900 0.041 0.000 1.042 214 G CA 0.516 45.648 45.100 0.052 0.000 0.791 214 G HN 0.235 nan 8.290 nan 0.000 0.502 215 T N -0.106 114.472 114.554 0.041 0.000 2.900 215 T HA 0.354 4.706 4.350 0.002 0.000 0.307 215 T C 0.808 175.499 174.700 -0.015 0.000 1.065 215 T CA 0.731 62.836 62.100 0.008 0.000 1.105 215 T CB 1.001 69.868 68.868 -0.002 0.000 0.979 215 T HN 0.652 nan 8.240 nan 0.000 0.544 216 K N 2.171 122.555 120.400 -0.027 0.000 2.258 216 K HA 0.414 4.736 4.320 0.002 0.000 0.284 216 K C -1.207 175.342 176.600 -0.084 0.000 1.051 216 K CA -0.503 55.767 56.287 -0.029 0.000 0.923 216 K CB 0.441 32.941 32.500 0.001 0.000 1.046 216 K HN 0.276 nan 8.250 nan 0.000 0.474 217 V N 6.583 126.437 119.914 -0.100 0.000 2.417 217 V HA 0.439 4.560 4.120 0.002 0.000 0.291 217 V C -0.264 175.802 176.094 -0.048 0.000 1.024 217 V CA -0.763 61.433 62.300 -0.173 0.000 0.861 217 V CB 1.183 32.776 31.823 -0.383 0.000 0.985 217 V HN 0.728 nan 8.190 nan 0.000 0.436 218 I N 4.771 125.317 120.570 -0.039 0.000 2.465 218 I HA 0.530 4.701 4.170 0.002 0.000 0.291 218 I C -0.702 175.452 176.117 0.062 0.000 1.014 218 I CA -0.802 60.515 61.300 0.030 0.000 1.093 218 I CB 2.192 40.223 38.000 0.052 0.000 1.267 218 I HN 0.268 nan 8.210 nan 0.000 0.431 219 V N 7.242 127.221 119.914 0.109 0.000 2.409 219 V HA 0.446 4.568 4.120 0.002 0.000 0.291 219 V C -0.040 176.119 176.094 0.109 0.000 1.020 219 V CA -0.448 61.939 62.300 0.145 0.000 0.848 219 V CB 1.827 33.731 31.823 0.135 0.000 0.990 219 V HN 0.477 nan 8.190 nan 0.000 0.430 220 I N 4.816 125.380 120.570 -0.009 0.000 2.371 220 I HA 0.546 4.718 4.170 0.002 0.000 0.282 220 I C -0.739 175.402 176.117 0.039 0.000 1.031 220 I CA 0.134 61.355 61.300 -0.131 0.000 1.180 220 I CB 1.010 38.603 38.000 -0.679 0.000 1.336 220 I HN 0.583 nan 8.210 nan 0.000 0.467 221 D N 8.416 128.915 120.400 0.163 0.000 2.769 221 D HA 0.195 4.836 4.640 0.002 0.000 0.219 221 D C -2.371 174.076 176.300 0.245 0.000 1.245 221 D CA -1.279 52.845 54.000 0.206 0.000 0.801 221 D CB 3.294 44.220 40.800 0.210 0.000 1.598 221 D HN 0.064 nan 8.370 nan 0.000 0.485 222 P HA -0.017 nan 4.420 nan 0.000 0.223 222 P C 0.545 177.952 177.300 0.179 0.000 1.151 222 P CA 0.362 63.536 63.100 0.123 0.000 0.787 222 P CB 0.597 32.350 31.700 0.088 0.000 0.788 223 V N 0.991 121.043 119.914 0.231 0.000 2.547 223 V HA 0.299 4.421 4.120 0.002 0.000 0.299 223 V C 0.811 177.049 176.094 0.240 0.000 1.040 223 V CA -1.003 61.427 62.300 0.218 0.000 0.913 223 V CB 1.984 33.907 31.823 0.168 0.000 0.992 223 V HN -0.109 nan 8.190 nan 0.000 0.449 224 R N 2.902 123.535 120.500 0.221 0.000 2.325 224 R HA 0.281 4.622 4.340 0.002 0.000 0.323 224 R C 0.386 176.693 176.300 0.012 0.000 1.177 224 R CA -0.133 55.993 56.100 0.044 0.000 1.018 224 R CB 0.125 30.505 30.300 0.133 0.000 1.070 224 R HN 0.990 nan 8.270 nan 0.000 0.495 225 T N -0.009 114.531 114.554 -0.023 0.000 2.810 225 T HA 0.200 4.551 4.350 0.002 0.000 0.277 225 T C 1.105 175.842 174.700 0.062 0.000 0.973 225 T CA -0.808 61.328 62.100 0.060 0.000 0.949 225 T CB 1.123 70.042 68.868 0.085 0.000 1.075 225 T HN 0.344 nan 8.240 nan 0.000 0.537 226 K N 0.149 120.622 120.400 0.121 0.000 2.283 226 K HA -0.048 4.273 4.320 0.002 0.000 0.202 226 K C 2.317 178.983 176.600 0.110 0.000 1.048 226 K CA 1.053 57.416 56.287 0.126 0.000 0.948 226 K CB -0.767 31.857 32.500 0.207 0.000 0.742 226 K HN 0.665 nan 8.250 nan 0.000 0.458 227 T N 1.284 115.883 114.554 0.075 0.000 2.777 227 T HA -0.083 4.268 4.350 0.002 0.000 0.266 227 T C 2.117 176.946 174.700 0.216 0.000 1.040 227 T CA 1.058 63.207 62.100 0.081 0.000 1.141 227 T CB -0.159 68.693 68.868 -0.026 0.000 0.868 227 T HN -0.088 nan 8.240 nan 0.000 0.444 228 V N 1.298 121.275 119.914 0.106 0.000 2.287 228 V HA -0.199 3.923 4.120 0.002 0.000 0.248 228 V C 2.565 178.739 176.094 0.133 0.000 1.053 228 V CA 1.861 64.209 62.300 0.080 0.000 1.027 228 V CB -0.640 31.090 31.823 -0.156 0.000 0.646 228 V HN 0.388 nan 8.190 nan 0.000 0.447 229 E N -0.431 119.830 120.200 0.101 0.000 2.058 229 E HA -0.238 4.114 4.350 0.002 0.000 0.194 229 E C 1.882 178.548 176.600 0.110 0.000 0.997 229 E CA 1.627 58.085 56.400 0.096 0.000 0.801 229 E CB -0.435 29.315 29.700 0.083 0.000 0.746 229 E HN 0.562 nan 8.360 nan 0.000 0.450 230 F N -0.590 119.328 119.950 -0.052 0.000 2.120 230 F HA -0.218 4.310 4.527 0.002 0.000 0.300 230 F C 1.473 177.145 175.800 -0.214 0.000 1.095 230 F CA 1.452 59.336 58.000 -0.192 0.000 1.249 230 F CB -0.082 38.684 39.000 -0.390 0.000 0.995 230 F HN 0.031 nan 8.300 nan 0.000 0.480 231 F N 0.036 120.050 119.950 0.106 0.000 2.714 231 F HA 0.325 4.854 4.527 0.002 0.000 0.294 231 F C 1.824 177.626 175.800 0.004 0.000 1.120 231 F CA 0.525 58.538 58.000 0.021 0.000 1.398 231 F CB -0.485 38.617 39.000 0.170 0.000 1.120 231 F HN 0.022 nan 8.300 nan 0.000 0.589 232 G N 1.369 110.280 108.800 0.185 0.000 2.295 232 G HA2 -0.098 3.864 3.960 0.002 0.000 0.287 232 G HA3 -0.098 3.864 3.960 0.002 0.000 0.287 232 G C 0.331 175.320 174.900 0.148 0.000 1.055 232 G CA -0.015 45.158 45.100 0.122 0.000 0.922 232 G HN 0.630 nan 8.290 nan 0.000 0.503 233 A N -0.519 122.415 122.820 0.190 0.000 2.366 233 A HA 0.642 4.964 4.320 0.002 0.000 0.249 233 A C 0.711 178.371 177.584 0.126 0.000 1.084 233 A CA 0.415 52.545 52.037 0.155 0.000 0.794 233 A CB 0.383 19.490 19.000 0.178 0.000 1.034 233 A HN 1.014 nan 8.150 nan 0.000 0.491 234 E N 0.696 120.958 120.200 0.103 0.000 2.351 234 E HA 0.046 4.397 4.350 0.002 0.000 0.266 234 E C -0.361 176.329 176.600 0.150 0.000 1.031 234 E CA 0.168 56.628 56.400 0.100 0.000 0.911 234 E CB 0.064 29.801 29.700 0.061 0.000 0.986 234 E HN 0.702 nan 8.360 nan 0.000 0.446 235 H N 6.388 125.476 119.070 0.030 0.000 2.551 235 H HA 0.248 4.806 4.556 0.002 0.000 0.321 235 H C -0.695 174.631 175.328 -0.004 0.000 1.028 235 H CA -1.213 54.850 56.048 0.025 0.000 1.215 235 H CB 0.614 30.404 29.762 0.047 0.000 1.414 235 H HN 0.434 nan 8.280 nan 0.000 0.480 236 I N 5.163 125.746 120.570 0.022 0.000 2.336 236 I HA 0.065 4.236 4.170 0.002 0.000 0.292 236 I C 0.623 176.621 176.117 -0.198 0.000 0.991 236 I CA -0.499 60.725 61.300 -0.126 0.000 1.227 236 I CB 1.233 39.160 38.000 -0.122 0.000 1.366 236 I HN 0.615 nan 8.210 nan 0.000 0.466 237 T N 4.593 119.001 114.554 -0.244 0.000 3.053 237 T HA 0.534 4.886 4.350 0.002 0.000 0.363 237 T C -2.454 172.186 174.700 -0.100 0.000 1.239 237 T CA -1.734 60.253 62.100 -0.190 0.000 1.071 237 T CB 0.989 69.712 68.868 -0.241 0.000 1.089 237 T HN 0.304 nan 8.240 nan 0.000 0.527 238 P HA 0.367 nan 4.420 nan 0.000 0.281 238 P C -0.416 176.866 177.300 -0.029 0.000 1.249 238 P CA -0.746 62.333 63.100 -0.035 0.000 0.810 238 P CB 1.000 32.707 31.700 0.012 0.000 1.008 239 K N 2.836 123.210 120.400 -0.042 0.000 2.412 239 K HA 0.181 4.502 4.320 0.002 0.000 0.281 239 K C -2.075 174.490 176.600 -0.057 0.000 1.027 239 K CA -1.271 54.987 56.287 -0.048 0.000 0.989 239 K CB -0.646 31.829 32.500 -0.042 0.000 0.935 239 K HN 0.373 nan 8.250 nan 0.000 0.475 240 P HA -0.112 nan 4.420 nan 0.000 0.265 240 P C -0.785 176.439 177.300 -0.127 0.000 1.187 240 P CA 0.501 63.453 63.100 -0.247 0.000 0.766 240 P CB 0.461 31.693 31.700 -0.780 0.000 0.820 241 Q N -0.837 118.976 119.800 0.023 0.000 2.466 241 Q HA -0.170 4.172 4.340 0.002 0.000 0.248 241 Q C 0.287 176.464 176.000 0.294 0.000 0.791 241 Q CA 1.353 57.249 55.803 0.156 0.000 1.225 241 Q CB -2.930 25.904 28.738 0.160 0.000 1.418 241 Q HN 0.719 nan 8.270 nan 0.000 0.662 242 T N -5.125 109.565 114.554 0.226 0.000 3.132 242 T HA 0.222 4.574 4.350 0.002 0.000 0.274 242 T C 0.545 175.330 174.700 0.142 0.000 1.011 242 T CA 0.373 62.579 62.100 0.177 0.000 0.899 242 T CB 0.307 69.159 68.868 -0.025 0.000 1.089 242 T HN 0.113 nan 8.240 nan 0.000 0.543 243 D N 1.621 122.165 120.400 0.239 0.000 2.144 243 D HA -0.059 4.582 4.640 0.002 0.000 0.199 243 D C 1.982 178.421 176.300 0.232 0.000 0.984 243 D CA 0.775 54.949 54.000 0.290 0.000 0.834 243 D CB -0.098 40.889 40.800 0.311 0.000 0.955 243 D HN 0.240 nan 8.370 nan 0.000 0.465 244 V N 0.862 120.928 119.914 0.254 0.000 2.490 244 V HA -0.247 3.875 4.120 0.002 0.000 0.250 244 V C 2.314 178.570 176.094 0.270 0.000 1.061 244 V CA 1.726 64.192 62.300 0.277 0.000 1.064 244 V CB -0.675 31.401 31.823 0.422 0.000 0.670 244 V HN 0.261 nan 8.190 nan 0.000 0.461 245 A N 0.081 122.952 122.820 0.084 0.000 1.873 245 A HA -0.161 4.161 4.320 0.002 0.000 0.215 245 A C 2.158 179.760 177.584 0.029 0.000 1.186 245 A CA 1.854 53.789 52.037 -0.169 0.000 0.616 245 A CB -0.510 17.962 19.000 -0.881 0.000 0.823 245 A HN 0.477 nan 8.150 nan 0.000 0.442 246 I N -0.441 120.162 120.570 0.055 0.000 2.163 246 I HA -0.345 3.826 4.170 0.002 0.000 0.243 246 I C 2.756 179.031 176.117 0.264 0.000 1.085 246 I CA 1.740 63.133 61.300 0.157 0.000 1.347 246 I CB -0.349 37.789 38.000 0.230 0.000 1.044 246 I HN 0.361 nan 8.210 nan 0.000 0.408 247 M N -0.071 119.702 119.600 0.290 0.000 2.080 247 M HA -0.246 4.236 4.480 0.002 0.000 0.260 247 M C 2.392 178.836 176.300 0.240 0.000 1.068 247 M CA 1.930 57.376 55.300 0.244 0.000 1.109 247 M CB -0.560 32.093 32.600 0.088 0.000 1.342 247 M HN 0.235 nan 8.290 nan 0.000 0.405 248 L N -0.240 121.146 121.223 0.272 0.000 2.042 248 L HA -0.152 4.189 4.340 0.002 0.000 0.210 248 L C 2.716 179.737 176.870 0.252 0.000 1.076 248 L CA 1.384 56.395 54.840 0.286 0.000 0.749 248 L CB -1.192 41.071 42.059 0.340 0.000 0.893 248 L HN 0.441 nan 8.230 nan 0.000 0.432 249 G N -0.560 108.409 108.800 0.281 0.000 2.422 249 G HA2 -0.240 3.721 3.960 0.002 0.000 0.218 249 G HA3 -0.240 3.721 3.960 0.002 0.000 0.218 249 G C 1.608 176.623 174.900 0.192 0.000 1.146 249 G CA 0.590 45.825 45.100 0.225 0.000 0.769 249 G HN 0.230 nan 8.290 nan 0.000 0.547 250 M N 0.655 120.370 119.600 0.191 0.000 2.200 250 M HA 0.135 4.617 4.480 0.002 0.000 0.265 250 M C 3.017 179.418 176.300 0.169 0.000 1.066 250 M CA 1.113 56.513 55.300 0.166 0.000 1.127 250 M CB -0.106 32.617 32.600 0.205 0.000 1.379 250 M HN 0.280 nan 8.290 nan 0.000 0.420 251 A N -0.202 122.733 122.820 0.192 0.000 1.858 251 A HA -0.230 4.091 4.320 0.002 0.000 0.216 251 A C 2.077 179.733 177.584 0.120 0.000 1.190 251 A CA 1.779 53.920 52.037 0.173 0.000 0.617 251 A CB -1.280 17.860 19.000 0.234 0.000 0.827 251 A HN 0.545 nan 8.150 nan 0.000 0.443 252 H N -0.015 119.078 119.070 0.039 0.000 2.265 252 H HA -0.157 4.400 4.556 0.002 0.000 0.293 252 H C 2.144 177.482 175.328 0.017 0.000 1.089 252 H CA 2.407 58.446 56.048 -0.016 0.000 1.244 252 H CB -0.463 29.270 29.762 -0.049 0.000 1.355 252 H HN 0.424 nan 8.280 nan 0.000 0.485 253 T N 2.038 116.668 114.554 0.127 0.000 2.624 253 T HA -0.202 4.149 4.350 0.002 0.000 0.268 253 T C 2.451 177.170 174.700 0.031 0.000 1.041 253 T CA 1.804 63.950 62.100 0.077 0.000 1.159 253 T CB -0.541 68.380 68.868 0.088 0.000 0.863 253 T HN 0.268 nan 8.240 nan 0.000 0.434 254 L N 0.563 121.827 121.223 0.068 0.000 2.081 254 L HA -0.126 4.216 4.340 0.002 0.000 0.212 254 L C 2.639 179.614 176.870 0.175 0.000 1.080 254 L CA 1.032 55.946 54.840 0.124 0.000 0.754 254 L CB -0.736 41.421 42.059 0.162 0.000 0.893 254 L HN 0.187 nan 8.230 nan 0.000 0.433 255 V N -0.228 119.717 119.914 0.052 0.000 2.379 255 V HA -0.173 3.948 4.120 0.002 0.000 0.245 255 V C 2.675 178.761 176.094 -0.014 0.000 1.044 255 V CA 1.637 63.966 62.300 0.049 0.000 1.036 255 V CB -0.631 31.107 31.823 -0.141 0.000 0.664 255 V HN 0.451 nan 8.190 nan 0.000 0.453 256 A N -0.371 122.347 122.820 -0.169 0.000 1.969 256 A HA -0.148 4.173 4.320 0.002 0.000 0.218 256 A C 1.907 179.474 177.584 -0.028 0.000 1.169 256 A CA 1.367 53.319 52.037 -0.141 0.000 0.635 256 A CB -0.289 18.596 19.000 -0.193 0.000 0.810 256 A HN 0.639 nan 8.150 nan 0.000 0.445 257 E N -0.830 119.374 120.200 0.007 0.000 2.465 257 E HA 0.122 4.474 4.350 0.002 0.000 0.195 257 E C -0.632 175.989 176.600 0.035 0.000 1.028 257 E CA 0.025 56.438 56.400 0.022 0.000 0.899 257 E CB 0.072 29.786 29.700 0.024 0.000 1.032 257 E HN 0.479 nan 8.360 nan 0.000 0.468 258 D N 0.373 120.810 120.400 0.061 0.000 2.689 258 D HA -0.194 4.447 4.640 0.002 0.000 0.237 258 D C 0.237 176.545 176.300 0.014 0.000 1.148 258 D CA 0.478 54.506 54.000 0.047 0.000 0.656 258 D CB -0.917 39.887 40.800 0.006 0.000 1.050 258 D HN 0.289 nan 8.370 nan 0.000 0.426 259 L N -0.603 120.666 121.223 0.077 0.000 2.537 259 L HA 0.137 4.478 4.340 0.002 0.000 0.224 259 L C 1.322 178.222 176.870 0.050 0.000 1.065 259 L CA -0.465 54.405 54.840 0.049 0.000 0.860 259 L CB -0.250 41.855 42.059 0.077 0.000 1.086 259 L HN 0.296 nan 8.230 nan 0.000 0.482 260 Y N -0.513 119.799 120.300 0.021 0.000 2.459 260 Y HA 0.091 4.642 4.550 0.002 0.000 0.349 260 Y C 0.356 176.259 175.900 0.005 0.000 1.266 260 Y CA -1.024 57.085 58.100 0.014 0.000 1.483 260 Y CB -0.072 38.398 38.460 0.016 0.000 1.362 260 Y HN -0.114 nan 8.280 nan 0.000 0.628 261 D N 2.220 122.648 120.400 0.047 0.000 2.435 261 D HA 0.059 4.700 4.640 0.002 0.000 0.230 261 D C 0.251 176.539 176.300 -0.021 0.000 1.215 261 D CA -0.053 53.943 54.000 -0.007 0.000 0.947 261 D CB 0.498 41.355 40.800 0.095 0.000 1.048 261 D HN 0.721 nan 8.370 nan 0.000 0.512 262 K N 1.959 122.207 120.400 -0.254 0.000 2.148 262 K HA -0.115 4.206 4.320 0.002 0.000 0.204 262 K C 0.948 177.539 176.600 -0.016 0.000 1.050 262 K CA 0.681 56.869 56.287 -0.165 0.000 0.942 262 K CB 0.403 32.762 32.500 -0.234 0.000 0.724 262 K HN 0.343 nan 8.250 nan 0.000 0.446 263 D N 0.964 121.370 120.400 0.010 0.000 2.084 263 D HA -0.149 4.493 4.640 0.002 0.000 0.196 263 D C 1.727 178.086 176.300 0.098 0.000 0.985 263 D CA 0.868 54.889 54.000 0.035 0.000 0.826 263 D CB -0.442 40.384 40.800 0.043 0.000 0.978 263 D HN 0.040 nan 8.370 nan 0.000 0.456 264 F N 1.825 121.830 119.950 0.091 0.000 2.063 264 F HA -0.258 4.271 4.527 0.002 0.000 0.298 264 F C 2.238 178.155 175.800 0.195 0.000 1.109 264 F CA 1.299 59.434 58.000 0.226 0.000 1.212 264 F CB -0.172 38.907 39.000 0.132 0.000 0.973 264 F HN -0.134 nan 8.300 nan 0.000 0.480 265 I N 0.515 121.221 120.570 0.226 0.000 2.151 265 I HA -0.334 3.837 4.170 0.002 0.000 0.243 265 I C 2.695 178.811 176.117 -0.001 0.000 1.080 265 I CA 1.698 63.043 61.300 0.075 0.000 1.339 265 I CB -2.147 35.825 38.000 -0.047 0.000 1.039 265 I HN 0.272 nan 8.210 nan 0.000 0.409 266 A N 0.712 123.522 122.820 -0.017 0.000 1.929 266 A HA -0.146 4.176 4.320 0.002 0.000 0.216 266 A C 2.024 179.523 177.584 -0.141 0.000 1.176 266 A CA 1.469 53.479 52.037 -0.045 0.000 0.628 266 A CB -0.431 18.548 19.000 -0.035 0.000 0.816 266 A HN 0.448 nan 8.150 nan 0.000 0.444 267 N N -1.945 116.586 118.700 -0.282 0.000 2.409 267 N HA 0.039 4.780 4.740 0.002 0.000 0.174 267 N C 0.361 175.419 175.510 -0.753 0.000 1.037 267 N CA 0.948 53.665 53.050 -0.555 0.000 0.898 267 N CB -0.072 37.959 38.487 -0.760 0.000 1.010 267 N HN 0.599 nan 8.380 nan 0.000 0.445 268 Y N -0.004 120.059 120.300 -0.395 0.000 2.500 268 Y HA 0.238 4.789 4.550 0.002 0.000 0.246 268 Y C 0.760 176.622 175.900 -0.063 0.000 1.146 268 Y CA -0.417 57.467 58.100 -0.360 0.000 1.230 268 Y CB 0.458 38.325 38.460 -0.989 0.000 1.214 268 Y HN -0.110 nan 8.280 nan 0.000 0.526 269 T N -3.322 111.273 114.554 0.068 0.000 2.883 269 T HA 0.687 5.038 4.350 0.002 0.000 0.296 269 T C -0.700 174.081 174.700 0.134 0.000 1.117 269 T CA -0.967 61.223 62.100 0.149 0.000 1.006 269 T CB 2.176 71.152 68.868 0.180 0.000 1.191 269 T HN -0.122 nan 8.240 nan 0.000 0.508 270 S N -0.719 115.083 115.700 0.171 0.000 2.571 270 S HA 0.635 5.106 4.470 0.002 0.000 0.284 270 S C 0.923 175.654 174.600 0.218 0.000 1.128 270 S CA 0.536 58.836 58.200 0.167 0.000 0.970 270 S CB 0.644 63.929 63.200 0.142 0.000 1.039 270 S HN 2.451 nan 8.310 nan 0.000 0.485 271 G N 3.410 112.330 108.800 0.199 0.000 2.157 271 G HA2 -0.272 3.690 3.960 0.002 0.000 0.248 271 G HA3 -0.272 3.690 3.960 0.002 0.000 0.248 271 G C 0.537 175.576 174.900 0.232 0.000 0.979 271 G CA 0.375 45.596 45.100 0.202 0.000 0.650 271 G HN 0.904 nan 8.290 nan 0.000 0.529 272 F N 2.576 122.599 119.950 0.122 0.000 2.202 272 F HA -0.072 4.457 4.527 0.002 0.000 0.301 272 F C 2.475 178.345 175.800 0.117 0.000 1.082 272 F CA 2.344 60.430 58.000 0.144 0.000 1.313 272 F CB 0.035 39.117 39.000 0.136 0.000 1.024 272 F HN 0.401 nan 8.300 nan 0.000 0.495 273 D N 0.067 120.539 120.400 0.120 0.000 2.182 273 D HA -0.236 4.405 4.640 0.002 0.000 0.201 273 D C 1.561 177.792 176.300 -0.115 0.000 0.986 273 D CA 1.335 55.333 54.000 -0.003 0.000 0.847 273 D CB -0.677 40.145 40.800 0.036 0.000 0.942 273 D HN 0.381 nan 8.370 nan 0.000 0.467 274 K N -0.654 119.674 120.400 -0.121 0.000 2.418 274 K HA 0.021 4.343 4.320 0.002 0.000 0.195 274 K C 1.609 178.136 176.600 -0.122 0.000 1.035 274 K CA 0.066 56.244 56.287 -0.182 0.000 1.003 274 K CB 0.046 32.273 32.500 -0.454 0.000 0.793 274 K HN 0.179 nan 8.250 nan 0.000 0.494 275 F N 0.946 120.688 119.950 -0.347 0.000 2.619 275 F HA 0.070 4.598 4.527 0.002 0.000 0.293 275 F C 1.634 177.133 175.800 -0.502 0.000 1.119 275 F CA -0.037 57.633 58.000 -0.550 0.000 1.445 275 F CB 0.081 38.771 39.000 -0.517 0.000 1.119 275 F HN -0.191 nan 8.300 nan 0.000 0.573 276 L N 2.014 122.835 121.223 -0.670 0.000 2.012 276 L HA -0.069 4.272 4.340 0.002 0.000 0.210 276 L C -0.763 175.818 176.870 -0.481 0.000 1.073 276 L CA 2.266 56.703 54.840 -0.672 0.000 0.748 276 L CB -1.798 39.967 42.059 -0.489 0.000 0.891 276 L HN -0.004 nan 8.230 nan 0.000 0.431 277 P HA -0.260 nan 4.420 nan 0.000 0.215 277 P C 1.465 178.620 177.300 -0.242 0.000 1.157 277 P CA 1.684 64.651 63.100 -0.222 0.000 0.874 277 P CB -0.336 31.283 31.700 -0.135 0.000 0.790 278 Y N 0.405 120.464 120.300 -0.402 0.000 2.128 278 Y HA -0.193 4.358 4.550 0.002 0.000 0.284 278 Y C 2.228 177.840 175.900 -0.479 0.000 1.154 278 Y CA 1.266 59.139 58.100 -0.378 0.000 1.149 278 Y CB -1.144 37.106 38.460 -0.349 0.000 0.976 278 Y HN -0.228 nan 8.280 nan 0.000 0.505 279 L N 0.598 121.363 121.223 -0.764 0.000 2.012 279 L HA -0.215 4.126 4.340 0.002 0.000 0.210 279 L C 1.780 178.393 176.870 -0.429 0.000 1.073 279 L CA 2.299 56.721 54.840 -0.698 0.000 0.748 279 L CB -0.888 40.738 42.059 -0.721 0.000 0.891 279 L HN 0.189 nan 8.230 nan 0.000 0.431 280 D N -0.387 119.808 120.400 -0.340 0.000 2.312 280 D HA 0.072 4.713 4.640 0.002 0.000 0.211 280 D C 1.642 177.807 176.300 -0.225 0.000 0.964 280 D CA 1.135 55.021 54.000 -0.189 0.000 0.877 280 D CB 0.023 40.721 40.800 -0.169 0.000 0.924 280 D HN 0.534 nan 8.370 nan 0.000 0.515 281 G N 1.016 109.622 108.800 -0.322 0.000 2.131 281 G HA2 -0.300 3.661 3.960 0.002 0.000 0.223 281 G HA3 -0.300 3.661 3.960 0.002 0.000 0.223 281 G C 0.859 175.647 174.900 -0.187 0.000 0.990 281 G CA 0.372 45.290 45.100 -0.303 0.000 0.671 281 G HN 0.351 nan 8.290 nan 0.000 0.521 282 E N -0.166 119.940 120.200 -0.156 0.000 2.106 282 E HA -0.080 4.272 4.350 0.002 0.000 0.192 282 E C 2.657 179.214 176.600 -0.073 0.000 0.984 282 E CA 1.624 57.963 56.400 -0.101 0.000 0.806 282 E CB -0.139 29.504 29.700 -0.094 0.000 0.750 282 E HN 0.697 nan 8.360 nan 0.000 0.458 283 T N -0.544 113.974 114.554 -0.060 0.000 3.043 283 T HA -0.068 4.283 4.350 0.002 0.000 0.263 283 T C 1.071 175.767 174.700 -0.006 0.000 1.094 283 T CA 1.196 63.290 62.100 -0.009 0.000 1.127 283 T CB 0.058 68.961 68.868 0.058 0.000 0.905 283 T HN 0.139 nan 8.240 nan 0.000 0.490 284 D N -1.031 119.342 120.400 -0.045 0.000 2.516 284 D HA 0.196 4.837 4.640 0.002 0.000 0.241 284 D C 0.459 176.715 176.300 -0.073 0.000 1.246 284 D CA -0.010 53.968 54.000 -0.038 0.000 0.808 284 D CB -0.360 40.431 40.800 -0.016 0.000 1.147 284 D HN 0.197 nan 8.370 nan 0.000 0.527 285 S N -0.871 114.770 115.700 -0.098 0.000 3.561 285 S HA -0.129 4.343 4.470 0.002 0.000 0.318 285 S C -0.145 174.372 174.600 -0.138 0.000 1.181 285 S CA 1.197 59.337 58.200 -0.100 0.000 0.916 285 S CB -1.937 61.227 63.200 -0.059 0.000 0.966 285 S HN 0.547 nan 8.310 nan 0.000 0.550 286 T N 1.947 116.367 114.554 -0.223 0.000 3.209 286 T HA 0.381 4.732 4.350 0.002 0.000 0.366 286 T C -2.876 171.518 174.700 -0.509 0.000 1.293 286 T CA -1.114 60.796 62.100 -0.317 0.000 1.417 286 T CB 1.398 70.079 68.868 -0.312 0.000 1.013 286 T HN -0.084 nan 8.240 nan 0.000 0.572 287 P HA 0.041 nan 4.420 nan 0.000 0.262 287 P C -0.017 176.848 177.300 -0.724 0.000 1.182 287 P CA -0.260 62.556 63.100 -0.474 0.000 0.761 287 P CB 0.490 31.994 31.700 -0.328 0.000 0.795 288 K N 2.393 122.297 120.400 -0.828 0.000 2.518 288 K HA 0.141 4.463 4.320 0.002 0.000 0.244 288 K C 0.606 176.899 176.600 -0.512 0.000 1.232 288 K CA 0.034 55.733 56.287 -0.980 0.000 1.189 288 K CB -0.996 30.903 32.500 -1.001 0.000 1.737 288 K HN 0.478 nan 8.250 nan 0.000 0.333 289 T N -2.929 111.310 114.554 -0.524 0.000 2.788 289 T HA 0.288 4.639 4.350 0.002 0.000 0.287 289 T C 1.634 176.344 174.700 0.016 0.000 1.007 289 T CA -0.161 61.690 62.100 -0.415 0.000 1.005 289 T CB 1.255 69.914 68.868 -0.348 0.000 1.012 289 T HN 0.244 nan 8.240 nan 0.000 0.530 290 A N 0.428 123.274 122.820 0.044 0.000 1.978 290 A HA -0.085 4.237 4.320 0.002 0.000 0.220 290 A C 2.183 179.778 177.584 0.020 0.000 1.170 290 A CA 1.793 53.862 52.037 0.054 0.000 0.636 290 A CB -1.042 17.984 19.000 0.045 0.000 0.810 290 A HN 0.923 nan 8.150 nan 0.000 0.448 291 E N -1.476 118.732 120.200 0.014 0.000 2.107 291 E HA -0.155 4.197 4.350 0.002 0.000 0.191 291 E C 1.567 178.175 176.600 0.013 0.000 0.982 291 E CA 1.253 57.652 56.400 -0.002 0.000 0.809 291 E CB -0.335 29.364 29.700 -0.002 0.000 0.756 291 E HN 0.901 nan 8.360 nan 0.000 0.459 292 W N 0.962 122.168 121.300 -0.157 0.000 2.436 292 W HA -0.042 4.619 4.660 0.002 0.000 0.284 292 W C 2.010 178.417 176.519 -0.187 0.000 1.225 292 W CA 1.614 58.856 57.345 -0.171 0.000 1.271 292 W CB -0.139 29.197 29.460 -0.207 0.000 1.114 292 W HN 0.022 nan 8.180 nan 0.000 0.559 293 A N 0.153 122.855 122.820 -0.196 0.000 2.016 293 A HA -0.152 4.170 4.320 0.002 0.000 0.217 293 A C 1.978 179.315 177.584 -0.412 0.000 1.162 293 A CA 1.578 53.298 52.037 -0.529 0.000 0.662 293 A CB -0.863 18.064 19.000 -0.123 0.000 0.812 293 A HN 0.560 nan 8.150 nan 0.000 0.450 294 E N -0.102 119.952 120.200 -0.244 0.000 2.107 294 E HA -0.082 4.269 4.350 0.002 0.000 0.191 294 E C 1.998 178.464 176.600 -0.224 0.000 0.982 294 E CA 0.926 57.214 56.400 -0.187 0.000 0.809 294 E CB -0.394 29.238 29.700 -0.113 0.000 0.756 294 E HN 0.478 nan 8.360 nan 0.000 0.459 295 G N 1.763 110.400 108.800 -0.272 0.000 2.418 295 G HA2 -0.211 3.751 3.960 0.002 0.000 0.217 295 G HA3 -0.211 3.751 3.960 0.002 0.000 0.217 295 G C 1.542 176.260 174.900 -0.304 0.000 1.158 295 G CA 0.912 45.860 45.100 -0.252 0.000 0.771 295 G HN 0.204 nan 8.290 nan 0.000 0.545 296 I N 1.898 122.171 120.570 -0.495 0.000 2.162 296 I HA -0.115 4.056 4.170 0.002 0.000 0.238 296 I C 3.086 179.011 176.117 -0.320 0.000 1.076 296 I CA 1.969 62.972 61.300 -0.495 0.000 1.353 296 I CB -1.405 36.039 38.000 -0.927 0.000 1.063 296 I HN 0.383 nan 8.210 nan 0.000 0.408 297 S N 0.170 115.673 115.700 -0.328 0.000 2.470 297 S HA 0.140 4.612 4.470 0.002 0.000 0.225 297 S C 1.796 176.315 174.600 -0.135 0.000 1.006 297 S CA 0.766 58.849 58.200 -0.196 0.000 0.934 297 S CB 0.227 63.320 63.200 -0.178 0.000 0.778 297 S HN 0.656 nan 8.310 nan 0.000 0.517 298 G N 0.233 108.947 108.800 -0.143 0.000 2.175 298 G HA2 -0.225 3.736 3.960 0.002 0.000 0.244 298 G HA3 -0.225 3.736 3.960 0.002 0.000 0.244 298 G C 0.042 174.884 174.900 -0.097 0.000 0.982 298 G CA 0.048 45.084 45.100 -0.107 0.000 0.641 298 G HN 0.711 nan 8.290 nan 0.000 0.527 299 V N 2.446 122.298 119.914 -0.102 0.000 2.498 299 V HA 0.439 4.561 4.120 0.002 0.000 0.279 299 V C -1.624 174.421 176.094 -0.081 0.000 1.048 299 V CA -1.491 60.757 62.300 -0.088 0.000 0.967 299 V CB 1.477 33.250 31.823 -0.083 0.000 0.988 299 V HN 0.102 nan 8.190 nan 0.000 0.473 300 P HA 0.081 nan 4.420 nan 0.000 0.263 300 P C 0.631 177.900 177.300 -0.052 0.000 1.195 300 P CA 0.142 63.207 63.100 -0.058 0.000 0.762 300 P CB 0.756 32.425 31.700 -0.050 0.000 0.799 301 A N 4.594 127.387 122.820 -0.046 0.000 1.958 301 A HA -0.253 4.068 4.320 0.002 0.000 0.221 301 A C 1.866 179.435 177.584 -0.025 0.000 1.178 301 A CA 1.653 53.671 52.037 -0.032 0.000 0.642 301 A CB -0.792 18.195 19.000 -0.023 0.000 0.816 301 A HN 0.492 nan 8.150 nan 0.000 0.453 302 E N -0.812 119.371 120.200 -0.029 0.000 2.285 302 E HA -0.061 4.290 4.350 0.002 0.000 0.194 302 E C 2.001 178.576 176.600 -0.042 0.000 0.997 302 E CA 1.309 57.692 56.400 -0.028 0.000 0.845 302 E CB -0.552 29.133 29.700 -0.025 0.000 0.782 302 E HN 0.638 nan 8.360 nan 0.000 0.491 303 T N 1.516 116.041 114.554 -0.050 0.000 2.812 303 T HA -0.000 4.351 4.350 0.002 0.000 0.264 303 T C 2.121 176.771 174.700 -0.083 0.000 1.042 303 T CA 0.535 62.595 62.100 -0.066 0.000 1.140 303 T CB -0.078 68.751 68.868 -0.066 0.000 0.870 303 T HN 0.099 nan 8.240 nan 0.000 0.445 304 I N 1.035 121.567 120.570 -0.062 0.000 2.163 304 I HA -0.235 3.936 4.170 0.002 0.000 0.243 304 I C 2.502 178.584 176.117 -0.058 0.000 1.085 304 I CA 1.507 62.777 61.300 -0.049 0.000 1.347 304 I CB -0.318 37.675 38.000 -0.011 0.000 1.044 304 I HN 0.222 nan 8.210 nan 0.000 0.408 305 K N 0.451 120.828 120.400 -0.037 0.000 2.057 305 K HA -0.235 4.087 4.320 0.002 0.000 0.207 305 K C 2.079 178.633 176.600 -0.078 0.000 1.049 305 K CA 1.567 57.834 56.287 -0.032 0.000 0.931 305 K CB -0.235 32.259 32.500 -0.009 0.000 0.714 305 K HN 0.292 nan 8.250 nan 0.000 0.440 306 E N 0.646 120.792 120.200 -0.090 0.000 2.077 306 E HA -0.193 4.159 4.350 0.002 0.000 0.193 306 E C 1.856 178.333 176.600 -0.204 0.000 0.989 306 E CA 0.772 57.106 56.400 -0.110 0.000 0.800 306 E CB 0.157 29.807 29.700 -0.084 0.000 0.746 306 E HN 0.043 nan 8.360 nan 0.000 0.452 307 L N 0.604 121.653 121.223 -0.290 0.000 2.017 307 L HA -0.100 4.241 4.340 0.002 0.000 0.208 307 L C 2.451 178.777 176.870 -0.907 0.000 1.073 307 L CA 1.960 56.430 54.840 -0.616 0.000 0.745 307 L CB -1.558 40.156 42.059 -0.575 0.000 0.894 307 L HN 0.205 nan 8.230 nan 0.000 0.432 308 A N -0.652 121.888 122.820 -0.467 0.000 1.940 308 A HA -0.237 4.084 4.320 0.002 0.000 0.219 308 A C 2.479 179.979 177.584 -0.140 0.000 1.176 308 A CA 1.700 53.589 52.037 -0.247 0.000 0.631 308 A CB -0.429 18.548 19.000 -0.039 0.000 0.814 308 A HN 0.373 nan 8.150 nan 0.000 0.446 309 R N -1.396 119.027 120.500 -0.129 0.000 2.073 309 R HA 0.002 4.344 4.340 0.002 0.000 0.229 309 R C 2.115 178.396 176.300 -0.033 0.000 1.120 309 R CA 1.160 57.231 56.100 -0.049 0.000 0.967 309 R CB -0.450 29.824 30.300 -0.043 0.000 0.862 309 R HN 0.489 nan 8.270 nan 0.000 0.436 310 L N 0.240 121.407 121.223 -0.094 0.000 2.046 310 L HA -0.129 4.212 4.340 0.002 0.000 0.208 310 L C 1.648 178.603 176.870 0.141 0.000 1.077 310 L CA 1.780 56.612 54.840 -0.013 0.000 0.747 310 L CB -0.382 41.639 42.059 -0.064 0.000 0.896 310 L HN 0.011 nan 8.230 nan 0.000 0.432 311 F N -0.023 119.941 119.950 0.024 0.000 2.234 311 F HA -0.082 4.446 4.527 0.002 0.000 0.299 311 F C 2.582 178.394 175.800 0.020 0.000 1.087 311 F CA 1.177 59.192 58.000 0.026 0.000 1.340 311 F CB -1.151 37.881 39.000 0.053 0.000 1.031 311 F HN 0.264 nan 8.300 nan 0.000 0.500 312 E N 0.406 120.726 120.200 0.200 0.000 2.216 312 E HA -0.115 4.237 4.350 0.002 0.000 0.192 312 E C 1.977 178.623 176.600 0.075 0.000 0.988 312 E CA 1.218 57.689 56.400 0.118 0.000 0.834 312 E CB -0.176 29.581 29.700 0.095 0.000 0.772 312 E HN 0.200 nan 8.360 nan 0.000 0.479 313 S N -1.161 114.581 115.700 0.070 0.000 2.540 313 S HA 0.239 4.710 4.470 0.002 0.000 0.218 313 S C 0.343 174.969 174.600 0.043 0.000 0.977 313 S CA -0.593 57.634 58.200 0.045 0.000 0.918 313 S CB 0.269 63.489 63.200 0.033 0.000 0.806 313 S HN -0.120 nan 8.310 nan 0.000 0.496 314 K N 1.242 121.677 120.400 0.059 0.000 2.395 314 K HA 0.429 4.751 4.320 0.002 0.000 0.247 314 K C -1.006 175.610 176.600 0.028 0.000 0.973 314 K CA -0.858 55.455 56.287 0.043 0.000 0.828 314 K CB 1.428 33.962 32.500 0.056 0.000 1.272 314 K HN 0.047 nan 8.250 nan 0.000 0.439 315 R N 1.098 121.602 120.500 0.005 0.000 2.345 315 R HA 0.131 4.472 4.340 0.002 0.000 0.331 315 R C -0.872 175.407 176.300 -0.034 0.000 1.067 315 R CA 0.600 56.690 56.100 -0.017 0.000 0.962 315 R CB -0.550 29.738 30.300 -0.020 0.000 0.987 315 R HN 0.463 nan 8.270 nan 0.000 0.451 316 T N 5.360 119.883 114.554 -0.052 0.000 2.829 316 T HA 0.411 4.762 4.350 0.002 0.000 0.280 316 T C -0.686 173.932 174.700 -0.138 0.000 0.999 316 T CA -0.605 61.429 62.100 -0.109 0.000 0.983 316 T CB 1.207 69.987 68.868 -0.146 0.000 0.968 316 T HN 0.490 nan 8.240 nan 0.000 0.446 317 M N 4.258 123.754 119.600 -0.173 0.000 2.114 317 M HA 0.480 4.961 4.480 0.002 0.000 0.332 317 M C -1.676 174.529 176.300 -0.158 0.000 1.014 317 M CA -1.098 54.115 55.300 -0.144 0.000 0.956 317 M CB 0.231 32.726 32.600 -0.176 0.000 1.551 317 M HN 0.480 nan 8.290 nan 0.000 0.427 318 L N 5.412 126.605 121.223 -0.049 0.000 2.282 318 L HA 0.596 4.938 4.340 0.002 0.000 0.287 318 L C -0.032 176.926 176.870 0.147 0.000 1.075 318 L CA -0.696 54.154 54.840 0.017 0.000 0.839 318 L CB 0.511 42.608 42.059 0.063 0.000 1.219 318 L HN 0.907 nan 8.230 nan 0.000 0.434 319 A N 3.589 126.479 122.820 0.118 0.000 2.366 319 A HA 0.723 5.044 4.320 0.002 0.000 0.322 319 A C 0.246 178.037 177.584 0.344 0.000 1.397 319 A CA -0.331 51.882 52.037 0.292 0.000 0.984 319 A CB 0.479 19.644 19.000 0.275 0.000 1.149 319 A HN 0.699 nan 8.150 nan 0.000 0.540 320 A N 2.555 125.576 122.820 0.335 0.000 2.305 320 A HA 0.772 5.093 4.320 0.002 0.000 0.322 320 A C 0.700 178.380 177.584 0.160 0.000 1.187 320 A CA 0.093 52.315 52.037 0.309 0.000 0.825 320 A CB 0.724 19.923 19.000 0.332 0.000 1.164 320 A HN 1.305 nan 8.150 nan 0.000 0.498 321 G N -0.305 108.485 108.800 -0.016 0.000 2.543 321 G HA2 0.435 4.396 3.960 0.002 0.000 0.290 321 G HA3 0.435 4.396 3.960 0.002 0.000 0.290 321 G C -0.055 174.862 174.900 0.029 0.000 1.310 321 G CA -0.312 44.471 45.100 -0.528 0.000 1.025 321 G HN 0.754 nan 8.290 nan 0.000 0.502 322 W N -0.290 121.019 121.300 0.015 0.000 3.127 322 W HA 0.156 4.817 4.660 0.002 0.000 0.344 322 W C 2.355 178.968 176.519 0.157 0.000 1.151 322 W CA 0.082 57.520 57.345 0.156 0.000 1.765 322 W CB -0.919 28.625 29.460 0.140 0.000 1.085 322 W HN 0.624 nan 8.180 nan 0.000 0.596 323 S N 1.166 117.045 115.700 0.299 0.000 2.400 323 S HA -0.255 4.216 4.470 0.002 0.000 0.232 323 S C 1.714 176.462 174.600 0.246 0.000 1.025 323 S CA 1.626 59.979 58.200 0.255 0.000 0.993 323 S CB -0.792 62.534 63.200 0.210 0.000 0.808 323 S HN 0.382 nan 8.310 nan 0.000 0.478 324 M N 0.500 120.239 119.600 0.233 0.000 2.659 324 M HA 0.193 4.674 4.480 0.002 0.000 0.243 324 M C 1.484 177.880 176.300 0.159 0.000 1.111 324 M CA 0.951 56.355 55.300 0.173 0.000 1.070 324 M CB -0.496 32.174 32.600 0.116 0.000 1.525 324 M HN 0.408 nan 8.290 nan 0.000 0.517 325 Q N 0.708 120.646 119.800 0.231 0.000 2.247 325 Q HA 0.212 4.553 4.340 0.002 0.000 0.211 325 Q C 1.090 177.196 176.000 0.176 0.000 0.861 325 Q CA 0.174 56.105 55.803 0.213 0.000 0.949 325 Q CB 0.029 28.958 28.738 0.318 0.000 1.115 325 Q HN 0.557 nan 8.270 nan 0.000 0.507 326 R N 0.706 121.324 120.500 0.196 0.000 3.782 326 R HA 0.456 4.798 4.340 0.002 0.000 0.291 326 R C -0.944 175.447 176.300 0.151 0.000 1.539 326 R CA 0.073 56.277 56.100 0.172 0.000 1.345 326 R CB -0.040 30.393 30.300 0.222 0.000 1.408 326 R HN 0.265 nan 8.270 nan 0.000 0.654 327 M N -1.090 118.590 119.600 0.133 0.000 2.622 327 M HA 0.183 4.665 4.480 0.002 0.000 0.276 327 M C -0.758 175.611 176.300 0.115 0.000 1.265 327 M CA -0.919 54.460 55.300 0.131 0.000 0.850 327 M CB 2.349 35.042 32.600 0.155 0.000 1.720 327 M HN 0.174 nan 8.290 nan 0.000 0.465 328 H N 0.614 119.649 119.070 -0.058 0.000 3.034 328 H HA 0.005 4.563 4.556 0.002 0.000 0.324 328 H C -0.458 174.725 175.328 -0.241 0.000 1.015 328 H CA 1.352 57.260 56.048 -0.234 0.000 1.429 328 H CB 0.208 29.776 29.762 -0.323 0.000 1.429 328 H HN 0.759 nan 8.280 nan 0.000 0.585 329 H N 0.923 119.919 119.070 -0.125 0.000 2.839 329 H HA -0.169 4.388 4.556 0.002 0.000 0.298 329 H C 1.520 176.837 175.328 -0.018 0.000 1.224 329 H CA 0.174 56.133 56.048 -0.149 0.000 1.144 329 H CB -1.446 28.151 29.762 -0.275 0.000 1.372 329 H HN 0.911 nan 8.280 nan 0.000 0.408 330 G N 0.443 109.303 108.800 0.101 0.000 2.450 330 G HA2 -0.267 3.695 3.960 0.002 0.000 0.220 330 G HA3 -0.267 3.695 3.960 0.002 0.000 0.220 330 G C 1.393 176.373 174.900 0.134 0.000 1.130 330 G CA 1.177 46.347 45.100 0.117 0.000 0.760 330 G HN 0.507 nan 8.290 nan 0.000 0.557 331 E N 0.461 120.741 120.200 0.134 0.000 2.209 331 E HA -0.123 4.229 4.350 0.002 0.000 0.196 331 E C 2.639 179.374 176.600 0.225 0.000 0.993 331 E CA 1.046 57.536 56.400 0.150 0.000 0.819 331 E CB -0.033 29.749 29.700 0.136 0.000 0.745 331 E HN 0.382 nan 8.360 nan 0.000 0.477 332 Q N -0.360 119.560 119.800 0.199 0.000 2.245 332 Q HA 0.074 4.416 4.340 0.002 0.000 0.201 332 Q C 2.146 178.217 176.000 0.118 0.000 0.955 332 Q CA 1.112 57.029 55.803 0.190 0.000 0.870 332 Q CB -0.158 28.638 28.738 0.096 0.000 0.945 332 Q HN 0.328 nan 8.270 nan 0.000 0.461 333 A N 0.708 123.555 122.820 0.046 0.000 1.858 333 A HA -0.195 4.126 4.320 0.002 0.000 0.216 333 A C 1.639 179.071 177.584 -0.253 0.000 1.190 333 A CA 1.649 53.608 52.037 -0.129 0.000 0.617 333 A CB -0.759 18.108 19.000 -0.223 0.000 0.827 333 A HN 0.405 nan 8.150 nan 0.000 0.443 334 H N -3.386 115.703 119.070 0.032 0.000 2.470 334 H HA -0.073 4.485 4.556 0.002 0.000 0.289 334 H C 1.679 177.010 175.328 0.005 0.000 1.033 334 H CA 1.039 57.073 56.048 -0.023 0.000 1.331 334 H CB -0.063 29.693 29.762 -0.010 0.000 1.414 334 H HN 0.694 nan 8.280 nan 0.000 0.545 335 W N 1.207 122.479 121.300 -0.046 0.000 2.338 335 W HA -0.208 4.454 4.660 0.002 0.000 0.304 335 W C 2.144 178.575 176.519 -0.147 0.000 1.212 335 W CA 1.422 58.709 57.345 -0.096 0.000 1.264 335 W CB -0.563 28.853 29.460 -0.073 0.000 1.142 335 W HN 0.220 nan 8.180 nan 0.000 0.512 336 M N -0.130 119.500 119.600 0.049 0.000 2.254 336 M HA -0.083 4.399 4.480 0.002 0.000 0.265 336 M C 2.051 178.274 176.300 -0.127 0.000 1.066 336 M CA 1.445 56.685 55.300 -0.100 0.000 1.123 336 M CB -1.004 31.563 32.600 -0.055 0.000 1.388 336 M HN -0.031 nan 8.290 nan 0.000 0.425 337 L N -0.801 120.314 121.223 -0.180 0.000 2.083 337 L HA -0.101 4.240 4.340 0.002 0.000 0.209 337 L C 2.008 178.721 176.870 -0.262 0.000 1.083 337 L CA 1.372 56.054 54.840 -0.264 0.000 0.752 337 L CB -0.465 41.411 42.059 -0.305 0.000 0.899 337 L HN 0.161 nan 8.230 nan 0.000 0.433 338 V N -0.943 118.794 119.914 -0.295 0.000 2.453 338 V HA -0.244 3.878 4.120 0.002 0.000 0.247 338 V C 2.442 178.445 176.094 -0.151 0.000 1.048 338 V CA 2.047 64.108 62.300 -0.399 0.000 1.049 338 V CB -0.682 30.898 31.823 -0.404 0.000 0.672 338 V HN 0.531 nan 8.190 nan 0.000 0.457 339 T N 0.558 115.060 114.554 -0.086 0.000 2.674 339 T HA -0.208 4.143 4.350 0.002 0.000 0.265 339 T C 1.912 176.600 174.700 -0.021 0.000 1.039 339 T CA 1.951 64.008 62.100 -0.071 0.000 1.150 339 T CB -0.367 68.355 68.868 -0.242 0.000 0.864 339 T HN 0.306 nan 8.240 nan 0.000 0.427 340 L N 1.470 122.678 121.223 -0.025 0.000 2.012 340 L HA -0.033 4.308 4.340 0.002 0.000 0.210 340 L C 2.607 179.491 176.870 0.024 0.000 1.073 340 L CA 2.072 56.933 54.840 0.036 0.000 0.748 340 L CB -1.059 41.031 42.059 0.051 0.000 0.891 340 L HN 0.240 nan 8.230 nan 0.000 0.431 341 A N -1.532 121.270 122.820 -0.031 0.000 1.908 341 A HA -0.210 4.111 4.320 0.002 0.000 0.218 341 A C 2.386 179.923 177.584 -0.078 0.000 1.181 341 A CA 2.066 54.085 52.037 -0.030 0.000 0.627 341 A CB -1.012 17.995 19.000 0.012 0.000 0.818 341 A HN 0.549 nan 8.150 nan 0.000 0.445 342 S N -0.277 115.408 115.700 -0.025 0.000 2.370 342 S HA -0.170 4.301 4.470 0.002 0.000 0.226 342 S C 1.909 176.524 174.600 0.026 0.000 1.033 342 S CA 1.890 60.118 58.200 0.047 0.000 1.011 342 S CB -0.416 62.921 63.200 0.228 0.000 0.852 342 S HN 0.607 nan 8.310 nan 0.000 0.457 343 M N 0.685 120.307 119.600 0.037 0.000 2.476 343 M HA 0.072 4.553 4.480 0.002 0.000 0.262 343 M C 1.575 177.928 176.300 0.087 0.000 1.079 343 M CA 0.867 56.212 55.300 0.074 0.000 1.104 343 M CB -0.413 32.216 32.600 0.048 0.000 1.409 343 M HN 0.229 nan 8.290 nan 0.000 0.467 344 L N -0.342 120.884 121.223 0.006 0.000 2.240 344 L HA 0.061 4.403 4.340 0.002 0.000 0.211 344 L C 1.512 178.303 176.870 -0.131 0.000 1.106 344 L CA 0.694 55.528 54.840 -0.010 0.000 0.793 344 L CB -0.823 41.238 42.059 0.005 0.000 0.927 344 L HN 0.586 nan 8.230 nan 0.000 0.446 345 G N 0.337 108.916 108.800 -0.368 0.000 2.198 345 G HA2 -0.312 3.649 3.960 0.002 0.000 0.260 345 G HA3 -0.312 3.649 3.960 0.002 0.000 0.260 345 G C 0.579 175.125 174.900 -0.591 0.000 1.025 345 G CA 0.497 45.179 45.100 -0.697 0.000 0.769 345 G HN 0.522 nan 8.290 nan 0.000 0.507 346 Q N -0.932 118.598 119.800 -0.450 0.000 2.247 346 Q HA 0.367 4.708 4.340 0.002 0.000 0.211 346 Q C 1.199 177.058 176.000 -0.235 0.000 0.861 346 Q CA -0.345 55.302 55.803 -0.260 0.000 0.949 346 Q CB 0.870 29.523 28.738 -0.142 0.000 1.115 346 Q HN 0.696 nan 8.270 nan 0.000 0.507 347 I N 1.085 121.449 120.570 -0.343 0.000 2.683 347 I HA -0.057 4.114 4.170 0.002 0.000 0.286 347 I C 1.223 177.309 176.117 -0.052 0.000 1.175 347 I CA 1.072 62.276 61.300 -0.159 0.000 1.429 347 I CB 0.391 38.322 38.000 -0.115 0.000 1.371 347 I HN 0.465 nan 8.210 nan 0.000 0.569 348 G N 5.226 114.030 108.800 0.008 0.000 2.176 348 G HA2 -0.241 3.720 3.960 0.002 0.000 0.253 348 G HA3 -0.241 3.720 3.960 0.002 0.000 0.253 348 G C 0.050 174.932 174.900 -0.029 0.000 0.979 348 G CA -0.448 44.673 45.100 0.036 0.000 0.641 348 G HN 0.461 nan 8.290 nan 0.000 0.530 349 L N 1.691 122.882 121.223 -0.053 0.000 2.357 349 L HA 0.451 4.792 4.340 0.002 0.000 0.273 349 L C -1.756 175.079 176.870 -0.060 0.000 1.080 349 L CA -2.330 52.479 54.840 -0.052 0.000 0.803 349 L CB 1.241 43.268 42.059 -0.053 0.000 1.174 349 L HN -0.140 nan 8.230 nan 0.000 0.443 350 P HA 0.023 nan 4.420 nan 0.000 0.258 350 P C 0.708 177.983 177.300 -0.042 0.000 1.187 350 P CA 0.631 63.703 63.100 -0.047 0.000 0.767 350 P CB 0.504 32.188 31.700 -0.027 0.000 0.770 351 G N 2.188 110.959 108.800 -0.048 0.000 2.179 351 G HA2 -0.140 3.821 3.960 0.002 0.000 0.260 351 G HA3 -0.140 3.821 3.960 0.002 0.000 0.260 351 G C 0.451 175.313 174.900 -0.063 0.000 0.977 351 G CA -0.110 44.961 45.100 -0.049 0.000 0.641 351 G HN 0.910 nan 8.290 nan 0.000 0.533 352 G N -1.997 106.763 108.800 -0.066 0.000 2.644 352 G HA2 0.916 4.877 3.960 0.002 0.000 0.307 352 G HA3 0.916 4.877 3.960 0.002 0.000 0.307 352 G C 0.751 175.607 174.900 -0.073 0.000 1.250 352 G CA 0.916 45.972 45.100 -0.073 0.000 0.996 352 G HN 1.892 nan 8.290 nan 0.000 0.489 353 G N -0.942 107.821 108.800 -0.061 0.000 2.601 353 G HA2 0.387 4.349 3.960 0.002 0.000 0.224 353 G HA3 0.387 4.349 3.960 0.002 0.000 0.224 353 G C -0.259 174.703 174.900 0.104 0.000 1.171 353 G CA 0.396 45.489 45.100 -0.012 0.000 1.009 353 G HN 2.103 nan 8.290 nan 0.000 0.589 354 F N -0.863 119.079 119.950 -0.013 0.000 2.643 354 F HA 0.863 5.391 4.527 0.003 0.000 0.314 354 F C 0.066 175.918 175.800 0.086 0.000 1.096 354 F CA -0.494 57.525 58.000 0.030 0.000 0.953 354 F CB 1.648 40.657 39.000 0.014 0.000 1.345 354 F HN 1.533 nan 8.300 nan 0.000 0.468 355 G N 1.229 110.162 108.800 0.222 0.000 2.753 355 G HA2 0.521 4.483 3.960 0.002 0.000 0.295 355 G HA3 0.521 4.483 3.960 0.002 0.000 0.295 355 G C -1.266 173.746 174.900 0.186 0.000 1.437 355 G CA -0.848 44.269 45.100 0.028 0.000 1.094 355 G HN 0.858 nan 8.290 nan 0.000 0.540 356 L N 1.261 122.574 121.223 0.150 0.000 2.818 356 L HA 0.346 4.687 4.340 0.002 0.000 0.243 356 L C 1.360 178.431 176.870 0.335 0.000 1.185 356 L CA 0.103 55.129 54.840 0.310 0.000 0.988 356 L CB 1.108 43.356 42.059 0.316 0.000 1.292 356 L HN 0.528 nan 8.230 nan 0.000 0.519 357 S N -1.581 114.144 115.700 0.042 0.000 3.041 357 S HA 0.200 4.672 4.470 0.002 0.000 0.250 357 S C 0.557 175.030 174.600 -0.211 0.000 0.898 357 S CA -0.373 57.790 58.200 -0.063 0.000 1.100 357 S CB 0.065 63.314 63.200 0.081 0.000 1.149 357 S HN 0.261 nan 8.310 nan 0.000 0.540 358 Y N 1.507 121.849 120.300 0.069 0.000 2.561 358 Y HA 0.096 4.647 4.550 0.002 0.000 0.291 358 Y C 2.307 178.330 175.900 0.205 0.000 1.141 358 Y CA 1.227 59.382 58.100 0.091 0.000 1.303 358 Y CB -0.096 38.456 38.460 0.154 0.000 1.015 358 Y HN 0.670 nan 8.280 nan 0.000 0.547 359 H N -3.249 115.914 119.070 0.154 0.000 2.586 359 H HA 0.120 4.678 4.556 0.002 0.000 0.273 359 H C -0.762 174.601 175.328 0.058 0.000 0.997 359 H CA -0.089 55.987 56.048 0.047 0.000 1.177 359 H CB -0.409 29.309 29.762 -0.072 0.000 1.471 359 H HN 0.299 nan 8.280 nan 0.000 0.538 360 Y N 1.513 121.482 120.300 -0.552 0.000 2.338 360 Y HA 0.372 4.923 4.550 0.002 0.000 0.333 360 Y C 0.064 176.042 175.900 0.131 0.000 0.968 360 Y CA -0.752 57.182 58.100 -0.278 0.000 1.123 360 Y CB 1.381 39.575 38.460 -0.444 0.000 1.165 360 Y HN 0.187 nan 8.280 nan 0.000 0.452 361 S N 4.185 119.694 115.700 -0.317 0.000 3.559 361 S HA -0.206 4.266 4.470 0.002 0.000 0.369 361 S C 1.052 175.766 174.600 0.189 0.000 0.987 361 S CA 1.407 59.503 58.200 -0.174 0.000 1.187 361 S CB -1.767 61.145 63.200 -0.480 0.000 0.914 361 S HN 2.059 nan 8.310 nan 0.000 0.480 362 G N -0.343 108.583 108.800 0.210 0.000 2.179 362 G HA2 -0.137 3.824 3.960 0.002 0.000 0.257 362 G HA3 -0.137 3.824 3.960 0.002 0.000 0.257 362 G C 0.462 175.530 174.900 0.281 0.000 1.010 362 G CA 0.250 45.528 45.100 0.296 0.000 0.736 362 G HN 1.665 nan 8.290 nan 0.000 0.513 363 G N -1.320 107.523 108.800 0.072 0.000 2.321 363 G HA2 0.481 4.442 3.960 0.002 0.000 0.237 363 G HA3 0.481 4.442 3.960 0.002 0.000 0.237 363 G C 1.505 176.226 174.900 -0.299 0.000 1.282 363 G CA 1.534 46.320 45.100 -0.523 0.000 0.886 363 G HN 1.925 nan 8.290 nan 0.000 0.528 364 G N 1.305 109.892 108.800 -0.355 0.000 2.234 364 G HA2 -0.257 3.704 3.960 0.002 0.000 0.235 364 G HA3 -0.257 3.704 3.960 0.002 0.000 0.235 364 G C 0.655 175.538 174.900 -0.029 0.000 0.997 364 G CA 0.498 45.403 45.100 -0.324 0.000 0.623 364 G HN 1.156 nan 8.290 nan 0.000 0.514 365 T N 4.216 118.905 114.554 0.226 0.000 2.834 365 T HA 0.473 4.824 4.350 0.002 0.000 0.298 365 T C -2.159 172.673 174.700 0.221 0.000 0.966 365 T CA -0.353 61.957 62.100 0.351 0.000 1.141 365 T CB 1.453 70.519 68.868 0.331 0.000 0.905 365 T HN 0.144 nan 8.240 nan 0.000 0.535 366 P HA 0.092 nan 4.420 nan 0.000 0.261 366 P C -0.281 177.099 177.300 0.133 0.000 1.183 366 P CA 0.012 63.207 63.100 0.159 0.000 0.761 366 P CB 0.287 32.084 31.700 0.163 0.000 0.785 367 S N 1.634 117.385 115.700 0.084 0.000 2.576 367 S HA 0.282 4.753 4.470 0.002 0.000 0.276 367 S C 0.915 175.559 174.600 0.073 0.000 1.339 367 S CA -0.263 57.977 58.200 0.065 0.000 1.039 367 S CB 0.045 63.236 63.200 -0.015 0.000 0.902 367 S HN 0.602 nan 8.310 nan 0.000 0.516 368 T N -0.775 113.835 114.554 0.093 0.000 2.852 368 T HA 0.362 4.714 4.350 0.002 0.000 0.281 368 T C 1.033 175.749 174.700 0.027 0.000 0.993 368 T CA -0.265 61.895 62.100 0.101 0.000 0.933 368 T CB 0.747 69.738 68.868 0.204 0.000 1.187 368 T HN 0.495 nan 8.240 nan 0.000 0.559 369 S N -1.395 114.307 115.700 0.004 0.000 2.572 369 S HA 0.381 4.852 4.470 0.002 0.000 0.228 369 S C 1.078 175.558 174.600 -0.199 0.000 0.963 369 S CA -0.458 57.702 58.200 -0.068 0.000 0.939 369 S CB -0.704 62.476 63.200 -0.033 0.000 0.804 369 S HN 1.097 nan 8.310 nan 0.000 0.480 370 G N 2.889 111.473 108.800 -0.360 0.000 2.667 370 G HA2 0.478 4.439 3.960 0.002 0.000 0.250 370 G HA3 0.478 4.439 3.960 0.002 0.000 0.250 370 G C -2.424 172.089 174.900 -0.646 0.000 1.212 370 G CA -1.222 43.295 45.100 -0.971 0.000 0.874 370 G HN 0.332 nan 8.290 nan 0.000 0.561 371 P HA 0.423 nan 4.420 nan 0.000 0.276 371 P C -0.483 176.680 177.300 -0.229 0.000 1.261 371 P CA -0.283 62.613 63.100 -0.341 0.000 0.800 371 P CB 1.179 32.707 31.700 -0.285 0.000 1.066 372 A N 1.208 123.945 122.820 -0.139 0.000 2.304 372 A HA 0.506 4.828 4.320 0.002 0.000 0.301 372 A C -0.535 177.011 177.584 -0.064 0.000 1.132 372 A CA -0.488 51.499 52.037 -0.083 0.000 0.819 372 A CB -0.083 18.870 19.000 -0.077 0.000 1.094 372 A HN 0.560 nan 8.150 nan 0.000 0.492 373 L N 1.954 123.154 121.223 -0.037 0.000 2.309 373 L HA 0.785 5.126 4.340 0.002 0.000 0.282 373 L C 0.198 177.020 176.870 -0.080 0.000 1.036 373 L CA 0.136 54.958 54.840 -0.031 0.000 0.806 373 L CB 1.300 43.369 42.059 0.017 0.000 1.220 373 L HN 0.901 nan 8.230 nan 0.000 0.429 374 A N 2.865 125.614 122.820 -0.118 0.000 2.346 374 A HA 0.976 5.297 4.320 0.002 0.000 0.313 374 A C -0.199 177.079 177.584 -0.510 0.000 1.140 374 A CA 0.018 51.926 52.037 -0.215 0.000 0.826 374 A CB 1.272 20.184 19.000 -0.147 0.000 1.332 374 A HN 0.937 nan 8.150 nan 0.000 0.457 375 G N -1.027 107.385 108.800 -0.647 0.000 3.247 375 G HA2 0.522 4.483 3.960 0.002 0.000 0.226 375 G HA3 0.522 4.483 3.960 0.002 0.000 0.226 375 G C -0.558 173.847 174.900 -0.824 0.000 1.220 375 G CA -0.635 43.687 45.100 -1.297 0.000 0.875 375 G HN 0.912 nan 8.290 nan 0.000 0.606 376 I N 1.088 121.288 120.570 -0.617 0.000 2.754 376 I HA 0.378 4.550 4.170 0.002 0.000 0.285 376 I C 1.032 176.990 176.117 -0.265 0.000 1.166 376 I CA -0.009 61.083 61.300 -0.347 0.000 1.417 376 I CB 1.203 38.897 38.000 -0.510 0.000 1.382 376 I HN 0.675 nan 8.210 nan 0.000 0.588 377 T N 1.262 115.703 114.554 -0.187 0.000 2.949 377 T HA 0.323 4.674 4.350 0.002 0.000 0.287 377 T C 0.402 175.011 174.700 -0.152 0.000 1.034 377 T CA -0.256 61.760 62.100 -0.140 0.000 1.018 377 T CB 1.470 70.294 68.868 -0.074 0.000 1.135 377 T HN 0.661 nan 8.240 nan 0.000 0.532 378 D N -0.951 119.380 120.400 -0.116 0.000 2.347 378 D HA 0.187 4.828 4.640 0.002 0.000 0.213 378 D C 1.622 177.883 176.300 -0.065 0.000 0.985 378 D CA 0.596 54.531 54.000 -0.108 0.000 0.879 378 D CB -0.793 39.960 40.800 -0.078 0.000 0.919 378 D HN 1.239 nan 8.370 nan 0.000 0.526 379 G N -0.618 108.153 108.800 -0.048 0.000 2.160 379 G HA2 -0.152 3.809 3.960 0.002 0.000 0.251 379 G HA3 -0.152 3.809 3.960 0.002 0.000 0.251 379 G C 0.590 175.489 174.900 -0.002 0.000 1.008 379 G CA 0.172 45.261 45.100 -0.020 0.000 0.724 379 G HN 0.800 nan 8.290 nan 0.000 0.514 394 A N 0.538 123.415 122.820 0.095 0.000 2.445 394 A HA 0.582 4.904 4.320 0.002 0.000 0.242 394 A C 1.561 179.205 177.584 0.099 0.000 1.075 394 A CA 0.620 52.714 52.037 0.096 0.000 0.777 394 A CB 0.429 19.524 19.000 0.158 0.000 1.013 394 A HN 1.895 nan 8.150 nan 0.000 0.493 395 S N -0.040 115.696 115.700 0.059 0.000 2.548 395 S HA 0.296 4.767 4.470 0.002 0.000 0.215 395 S C 0.196 174.827 174.600 0.053 0.000 0.976 395 S CA 0.361 58.575 58.200 0.023 0.000 0.908 395 S CB -0.322 62.850 63.200 -0.047 0.000 0.781 395 S HN 0.640 nan 8.310 nan 0.000 0.519 396 V N 2.603 122.580 119.914 0.105 0.000 2.760 396 V HA 0.605 4.727 4.120 0.002 0.000 0.309 396 V C -0.530 175.668 176.094 0.174 0.000 1.077 396 V CA -1.132 61.243 62.300 0.126 0.000 0.910 396 V CB 1.704 33.586 31.823 0.097 0.000 1.008 396 V HN 0.498 nan 8.190 nan 0.000 0.424 397 I N 1.366 122.021 120.570 0.142 0.000 2.740 397 I HA 0.775 4.946 4.170 0.002 0.000 0.303 397 I C -2.824 173.234 176.117 -0.098 0.000 1.044 397 I CA -2.918 58.405 61.300 0.038 0.000 1.064 397 I CB 2.345 40.347 38.000 0.005 0.000 1.249 397 I HN 0.337 nan 8.210 nan 0.000 0.433 398 P HA -0.030 nan 4.420 nan 0.000 0.262 398 P C 1.238 178.411 177.300 -0.211 0.000 1.182 398 P CA -0.251 62.603 63.100 -0.411 0.000 0.761 398 P CB 0.748 32.090 31.700 -0.597 0.000 0.795 399 V N 2.364 122.193 119.914 -0.141 0.000 2.324 399 V HA -0.290 3.832 4.120 0.002 0.000 0.250 399 V C 1.773 177.795 176.094 -0.119 0.000 1.060 399 V CA 2.173 64.445 62.300 -0.046 0.000 1.042 399 V CB -2.064 29.748 31.823 -0.019 0.000 0.650 399 V HN 0.505 nan 8.190 nan 0.000 0.450 400 A N -0.284 122.345 122.820 -0.319 0.000 2.252 400 A HA 0.155 4.476 4.320 0.002 0.000 0.207 400 A C 1.911 179.462 177.584 -0.054 0.000 1.194 400 A CA 0.250 52.171 52.037 -0.194 0.000 0.809 400 A CB -0.438 18.346 19.000 -0.359 0.000 0.814 400 A HN 0.514 nan 8.150 nan 0.000 0.482 401 R N -0.560 119.847 120.500 -0.155 0.000 2.426 401 R HA 0.088 4.430 4.340 0.002 0.000 0.263 401 R C 1.454 177.554 176.300 -0.334 0.000 0.961 401 R CA 0.373 56.349 56.100 -0.206 0.000 1.086 401 R CB -0.615 29.547 30.300 -0.230 0.000 1.186 401 R HN 0.388 nan 8.270 nan 0.000 0.537 402 V N 0.465 120.196 119.914 -0.304 0.000 2.332 402 V HA -0.228 3.894 4.120 0.002 0.000 0.248 402 V C 1.947 177.774 176.094 -0.446 0.000 1.055 402 V CA 1.816 63.853 62.300 -0.438 0.000 1.038 402 V CB 0.042 31.672 31.823 -0.322 0.000 0.651 402 V HN 0.078 nan 8.190 nan 0.000 0.450 403 V N 0.101 119.823 119.914 -0.320 0.000 2.379 403 V HA -0.146 3.976 4.120 0.002 0.000 0.245 403 V C 2.358 178.275 176.094 -0.295 0.000 1.044 403 V CA 2.074 64.240 62.300 -0.224 0.000 1.036 403 V CB -0.785 31.011 31.823 -0.045 0.000 0.664 403 V HN 0.550 nan 8.190 nan 0.000 0.453 404 D N -0.205 119.999 120.400 -0.327 0.000 2.133 404 D HA -0.251 4.390 4.640 0.002 0.000 0.195 404 D C 2.048 177.870 176.300 -0.798 0.000 0.997 404 D CA 1.792 55.540 54.000 -0.420 0.000 0.840 404 D CB -0.263 40.328 40.800 -0.349 0.000 0.947 404 D HN 0.395 nan 8.370 nan 0.000 0.452 405 M N 0.054 118.973 119.600 -1.135 0.000 2.086 405 M HA -0.160 4.321 4.480 0.002 0.000 0.261 405 M C 2.015 177.940 176.300 -0.626 0.000 1.067 405 M CA 1.310 55.853 55.300 -1.262 0.000 1.116 405 M CB -0.052 31.977 32.600 -0.951 0.000 1.348 405 M HN -0.017 nan 8.290 nan 0.000 0.407 406 L N -0.165 120.764 121.223 -0.491 0.000 2.131 406 L HA -0.194 4.148 4.340 0.002 0.000 0.210 406 L C 2.146 178.866 176.870 -0.250 0.000 1.092 406 L CA 1.373 55.999 54.840 -0.355 0.000 0.759 406 L CB -0.698 41.139 42.059 -0.370 0.000 0.903 406 L HN 0.405 nan 8.230 nan 0.000 0.435 407 E N -0.139 119.918 120.200 -0.239 0.000 2.216 407 E HA -0.040 4.311 4.350 0.002 0.000 0.192 407 E C 0.320 176.854 176.600 -0.109 0.000 0.988 407 E CA 0.478 56.789 56.400 -0.148 0.000 0.834 407 E CB 0.219 29.844 29.700 -0.125 0.000 0.772 407 E HN 0.445 nan 8.360 nan 0.000 0.479 408 N N 1.387 120.005 118.700 -0.136 0.000 2.696 408 N HA 0.157 4.899 4.740 0.002 0.000 0.308 408 N C -2.744 172.807 175.510 0.068 0.000 1.915 408 N CA -0.964 52.083 53.050 -0.006 0.000 0.906 408 N CB 1.241 39.780 38.487 0.087 0.000 1.284 408 N HN 0.049 nan 8.380 nan 0.000 0.488 409 P HA 0.065 nan 4.420 nan 0.000 0.267 409 P C 1.048 178.410 177.300 0.103 0.000 1.205 409 P CA 0.975 64.108 63.100 0.056 0.000 0.765 409 P CB 0.784 32.480 31.700 -0.007 0.000 0.828 410 G N 2.064 110.952 108.800 0.146 0.000 2.225 410 G HA2 -0.216 3.746 3.960 0.002 0.000 0.254 410 G HA3 -0.216 3.746 3.960 0.002 0.000 0.254 410 G C 0.398 175.367 174.900 0.116 0.000 0.988 410 G CA 0.113 45.278 45.100 0.110 0.000 0.625 410 G HN 0.888 nan 8.290 nan 0.000 0.527 411 A N 0.346 123.273 122.820 0.179 0.000 2.425 411 A HA 0.616 4.937 4.320 0.002 0.000 0.249 411 A C 0.424 178.056 177.584 0.080 0.000 1.084 411 A CA 0.251 52.383 52.037 0.157 0.000 0.781 411 A CB 0.346 19.489 19.000 0.237 0.000 1.019 411 A HN 0.480 nan 8.150 nan 0.000 0.490 412 E N -0.025 120.179 120.200 0.007 0.000 2.349 412 E HA 0.508 4.859 4.350 0.002 0.000 0.265 412 E C -0.929 175.622 176.600 -0.082 0.000 1.064 412 E CA 0.088 56.429 56.400 -0.099 0.000 0.886 412 E CB 0.817 30.461 29.700 -0.093 0.000 1.036 412 E HN 0.563 nan 8.360 nan 0.000 0.413 413 F N -0.592 119.162 119.950 -0.327 0.000 2.626 413 F HA 0.487 5.015 4.527 0.002 0.000 0.311 413 F C -0.939 174.773 175.800 -0.147 0.000 1.088 413 F CA -1.225 56.605 58.000 -0.283 0.000 0.949 413 F CB 1.215 39.896 39.000 -0.532 0.000 1.322 413 F HN 0.109 nan 8.300 nan 0.000 0.461 414 D N 1.715 122.131 120.400 0.027 0.000 2.163 414 D HA 0.439 5.081 4.640 0.002 0.000 0.248 414 D C -1.696 174.720 176.300 0.194 0.000 1.035 414 D CA 0.144 54.140 54.000 -0.006 0.000 0.872 414 D CB 2.444 43.186 40.800 -0.096 0.000 1.183 414 D HN 0.556 nan 8.370 nan 0.000 0.445 415 F N 2.560 122.509 119.950 -0.000 0.000 2.839 415 F HA 0.167 4.695 4.527 0.002 0.000 0.344 415 F C 0.017 175.881 175.800 0.106 0.000 1.242 415 F CA -0.933 57.114 58.000 0.078 0.000 1.091 415 F CB 0.461 39.570 39.000 0.181 0.000 1.374 415 F HN 0.240 nan 8.300 nan 0.000 0.553 416 N N 4.028 122.578 118.700 -0.250 0.000 2.721 416 N HA -0.167 4.575 4.740 0.002 0.000 0.249 416 N C 0.844 176.310 175.510 -0.073 0.000 1.072 416 N CA 2.142 55.033 53.050 -0.266 0.000 0.710 416 N CB -1.046 37.016 38.487 -0.708 0.000 0.993 416 N HN 1.791 nan 8.380 nan 0.000 0.547 417 G N -2.948 105.913 108.800 0.101 0.000 2.176 417 G HA2 -0.242 3.719 3.960 0.002 0.000 0.232 417 G HA3 -0.242 3.719 3.960 0.002 0.000 0.232 417 G C 0.154 175.051 174.900 -0.005 0.000 0.986 417 G CA 1.084 46.170 45.100 -0.023 0.000 0.643 417 G HN 1.399 nan 8.290 nan 0.000 0.522 418 T N -2.343 112.220 114.554 0.016 0.000 2.926 418 T HA 0.816 5.168 4.350 0.002 0.000 0.289 418 T C -0.444 174.216 174.700 -0.068 0.000 1.054 418 T CA -0.870 61.211 62.100 -0.031 0.000 1.015 418 T CB 2.726 71.566 68.868 -0.047 0.000 1.167 418 T HN 0.339 nan 8.240 nan 0.000 0.526 419 R N 0.689 121.106 120.500 -0.139 0.000 2.561 419 R HA 0.739 5.080 4.340 0.002 0.000 0.297 419 R C -1.019 175.073 176.300 -0.346 0.000 0.969 419 R CA -0.639 55.309 56.100 -0.253 0.000 0.879 419 R CB 2.386 32.591 30.300 -0.157 0.000 1.178 419 R HN 0.887 nan 8.270 nan 0.000 0.445 420 S N 1.439 116.756 115.700 -0.638 0.000 2.720 420 S HA 0.515 4.986 4.470 0.002 0.000 0.287 420 S C -1.161 173.125 174.600 -0.522 0.000 1.168 420 S CA -0.984 56.896 58.200 -0.534 0.000 0.832 420 S CB 2.345 65.235 63.200 -0.516 0.000 1.166 420 S HN 0.363 nan 8.310 nan 0.000 0.493 421 K N 0.179 120.454 120.400 -0.208 0.000 2.259 421 K HA 0.576 4.897 4.320 0.002 0.000 0.249 421 K C -1.405 175.283 176.600 0.147 0.000 0.942 421 K CA -0.535 55.718 56.287 -0.056 0.000 0.816 421 K CB 0.863 33.365 32.500 0.003 0.000 1.155 421 K HN 0.349 nan 8.250 nan 0.000 0.428 422 F N 3.726 123.829 119.950 0.255 0.000 2.495 422 F HA 0.159 4.687 4.527 0.002 0.000 0.365 422 F C -1.554 174.284 175.800 0.064 0.000 1.090 422 F CA -1.968 56.120 58.000 0.145 0.000 1.235 422 F CB 0.024 39.042 39.000 0.031 0.000 1.119 422 F HN 0.345 nan 8.300 nan 0.000 0.562 423 P HA 0.019 nan 4.420 nan 0.000 0.274 423 P C -0.713 176.622 177.300 0.058 0.000 1.256 423 P CA -0.290 62.886 63.100 0.128 0.000 0.795 423 P CB 0.799 32.569 31.700 0.117 0.000 1.038 424 D N 0.749 121.160 120.400 0.019 0.000 2.518 424 D HA 0.226 4.867 4.640 0.002 0.000 0.230 424 D C -0.585 175.650 176.300 -0.108 0.000 1.138 424 D CA -0.428 53.544 54.000 -0.046 0.000 0.964 424 D CB -0.455 40.325 40.800 -0.033 0.000 1.011 424 D HN -0.106 nan 8.370 nan 0.000 0.517 425 V N 3.977 123.814 119.914 -0.127 0.000 2.649 425 V HA 0.218 4.340 4.120 0.002 0.000 0.292 425 V C 1.315 177.289 176.094 -0.201 0.000 1.055 425 V CA -0.181 62.041 62.300 -0.130 0.000 1.023 425 V CB 1.708 33.460 31.823 -0.118 0.000 0.992 425 V HN 0.348 nan 8.190 nan 0.000 0.480 426 K N 2.898 123.184 120.400 -0.191 0.000 2.464 426 K HA 0.374 4.695 4.320 0.002 0.000 0.206 426 K C -0.081 176.481 176.600 -0.063 0.000 1.186 426 K CA 0.276 56.443 56.287 -0.199 0.000 0.990 426 K CB 0.925 33.215 32.500 -0.350 0.000 1.003 426 K HN 0.704 nan 8.250 nan 0.000 0.562 427 M N 0.266 119.871 119.600 0.007 0.000 2.433 427 M HA 0.575 5.057 4.480 0.002 0.000 0.290 427 M C -2.024 174.374 176.300 0.163 0.000 1.173 427 M CA -0.612 54.746 55.300 0.097 0.000 0.905 427 M CB 2.485 35.175 32.600 0.151 0.000 1.692 427 M HN -0.042 nan 8.290 nan 0.000 0.462 428 A N 3.172 126.145 122.820 0.256 0.000 2.371 428 A HA 0.740 5.061 4.320 0.002 0.000 0.311 428 A C -2.404 175.524 177.584 0.573 0.000 1.068 428 A CA -0.403 51.893 52.037 0.431 0.000 0.744 428 A CB 1.303 20.570 19.000 0.445 0.000 1.239 428 A HN 0.814 nan 8.150 nan 0.000 0.435 429 Y N 2.299 122.794 120.300 0.325 0.000 2.338 429 Y HA 0.517 5.069 4.550 0.002 0.000 0.328 429 Y C -1.295 174.721 175.900 0.193 0.000 0.965 429 Y CA -1.443 56.790 58.100 0.222 0.000 1.208 429 Y CB 0.975 39.483 38.460 0.079 0.000 1.132 429 Y HN 0.695 nan 8.280 nan 0.000 0.469 430 W N 8.047 129.596 121.300 0.414 0.000 2.532 430 W HA 0.644 5.305 4.660 0.002 0.000 0.321 430 W C -1.384 175.249 176.519 0.190 0.000 1.037 430 W CA -0.804 56.736 57.345 0.324 0.000 1.220 430 W CB 1.736 31.454 29.460 0.430 0.000 1.361 430 W HN 0.411 nan 8.180 nan 0.000 0.468 431 V N 1.523 121.641 119.914 0.339 0.000 2.876 431 V HA 0.877 4.999 4.120 0.002 0.000 0.312 431 V C 0.474 176.738 176.094 0.284 0.000 1.085 431 V CA -0.323 62.118 62.300 0.236 0.000 0.945 431 V CB 1.224 33.096 31.823 0.083 0.000 1.017 431 V HN 1.011 nan 8.190 nan 0.000 0.428 432 G N 1.281 110.230 108.800 0.248 0.000 2.203 432 G HA2 0.204 4.165 3.960 0.002 0.000 0.263 432 G HA3 0.204 4.165 3.960 0.002 0.000 0.263 432 G C 0.613 175.709 174.900 0.326 0.000 1.012 432 G CA 0.568 45.813 45.100 0.241 0.000 0.749 432 G HN 2.314 nan 8.290 nan 0.000 0.512 433 G N -1.306 107.749 108.800 0.425 0.000 2.692 433 G HA2 0.563 4.525 3.960 0.002 0.000 0.291 433 G HA3 0.563 4.525 3.960 0.002 0.000 0.291 433 G C -1.187 173.851 174.900 0.230 0.000 1.423 433 G CA -0.166 45.231 45.100 0.495 0.000 0.843 433 G HN 0.636 nan 8.290 nan 0.000 0.486 434 N N 0.744 119.534 118.700 0.149 0.000 2.752 434 N HA 0.346 5.088 4.740 0.002 0.000 0.260 434 N C -1.692 173.540 175.510 -0.463 0.000 1.562 434 N CA -1.802 51.179 53.050 -0.115 0.000 0.788 434 N CB 2.289 40.777 38.487 0.003 0.000 1.192 434 N HN 0.150 nan 8.380 nan 0.000 0.503 435 P HA -0.052 nan 4.420 nan 0.000 0.221 435 P C 0.908 177.630 177.300 -0.963 0.000 1.150 435 P CA 0.728 62.945 63.100 -1.473 0.000 0.800 435 P CB 0.013 30.801 31.700 -1.520 0.000 0.787 436 F N -0.730 118.791 119.950 -0.715 0.000 2.805 436 F HA -0.009 4.519 4.527 0.002 0.000 0.301 436 F C 1.979 177.548 175.800 -0.386 0.000 1.196 436 F CA 0.607 58.254 58.000 -0.588 0.000 1.439 436 F CB -0.182 38.476 39.000 -0.570 0.000 1.117 436 F HN -0.225 nan 8.300 nan 0.000 0.581 437 V N -1.732 118.059 119.914 -0.204 0.000 3.251 437 V HA -0.098 4.024 4.120 0.002 0.000 0.239 437 V C 2.134 178.186 176.094 -0.071 0.000 1.332 437 V CA 0.726 62.988 62.300 -0.064 0.000 1.224 437 V CB -0.259 31.611 31.823 0.078 0.000 1.004 437 V HN 0.408 nan 8.190 nan 0.000 0.464 438 H N -0.473 118.509 119.070 -0.147 0.000 2.482 438 H HA 0.024 4.581 4.556 0.002 0.000 0.286 438 H C 1.095 176.277 175.328 -0.244 0.000 1.017 438 H CA 0.620 56.540 56.048 -0.213 0.000 1.322 438 H CB 0.183 29.765 29.762 -0.299 0.000 1.426 438 H HN 0.522 nan 8.280 nan 0.000 0.546 439 H N 1.228 120.164 119.070 -0.223 0.000 2.505 439 H HA 0.222 4.779 4.556 0.002 0.000 0.355 439 H C -0.399 174.855 175.328 -0.123 0.000 1.179 439 H CA -0.528 55.466 56.048 -0.090 0.000 1.343 439 H CB 1.190 30.845 29.762 -0.178 0.000 1.501 439 H HN 0.165 nan 8.280 nan 0.000 0.569 440 Q N 1.232 120.603 119.800 -0.715 0.000 2.260 440 Q HA 0.205 4.546 4.340 0.002 0.000 0.242 440 Q C -0.603 175.167 176.000 -0.383 0.000 0.932 440 Q CA -0.156 55.372 55.803 -0.457 0.000 0.891 440 Q CB 0.552 29.064 28.738 -0.376 0.000 1.222 440 Q HN 0.754 nan 8.270 nan 0.000 0.453 441 D N 0.418 120.672 120.400 -0.243 0.000 3.082 441 D HA -0.187 4.455 4.640 0.002 0.000 0.234 441 D C 0.557 176.739 176.300 -0.195 0.000 1.159 441 D CA 0.283 54.175 54.000 -0.180 0.000 0.875 441 D CB -0.156 40.559 40.800 -0.141 0.000 0.946 441 D HN 0.648 nan 8.370 nan 0.000 0.411 442 R N 1.975 122.327 120.500 -0.247 0.000 2.096 442 R HA -0.115 4.226 4.340 0.002 0.000 0.240 442 R C 1.929 178.088 176.300 -0.236 0.000 1.139 442 R CA 2.262 58.156 56.100 -0.343 0.000 0.952 442 R CB -0.243 29.728 30.300 -0.548 0.000 0.854 442 R HN 0.402 nan 8.270 nan 0.000 0.436 443 N N 0.304 118.922 118.700 -0.137 0.000 2.104 443 N HA -0.213 4.529 4.740 0.002 0.000 0.190 443 N C 1.756 177.239 175.510 -0.045 0.000 1.024 443 N CA 1.541 54.559 53.050 -0.052 0.000 0.853 443 N CB -0.354 38.124 38.487 -0.016 0.000 1.008 443 N HN 0.317 nan 8.380 nan 0.000 0.424 444 R N 0.881 121.344 120.500 -0.061 0.000 2.081 444 R HA -0.027 4.315 4.340 0.002 0.000 0.235 444 R C 2.319 178.594 176.300 -0.042 0.000 1.131 444 R CA 1.191 57.265 56.100 -0.043 0.000 0.960 444 R CB -0.224 30.047 30.300 -0.049 0.000 0.856 444 R HN 0.195 nan 8.270 nan 0.000 0.436 445 M N 0.206 119.752 119.600 -0.090 0.000 2.175 445 M HA -0.121 4.360 4.480 0.002 0.000 0.264 445 M C 1.700 177.942 176.300 -0.097 0.000 1.063 445 M CA 1.464 56.694 55.300 -0.117 0.000 1.119 445 M CB 0.153 32.575 32.600 -0.296 0.000 1.377 445 M HN 0.109 nan 8.290 nan 0.000 0.415 446 V N 1.207 121.064 119.914 -0.094 0.000 2.407 446 V HA -0.253 3.868 4.120 0.002 0.000 0.248 446 V C 2.405 178.576 176.094 0.128 0.000 1.055 446 V CA 2.098 64.428 62.300 0.049 0.000 1.049 446 V CB -0.732 31.146 31.823 0.091 0.000 0.662 446 V HN 0.513 nan 8.190 nan 0.000 0.455 447 K N 1.281 121.727 120.400 0.077 0.000 2.062 447 K HA 0.004 4.325 4.320 0.002 0.000 0.205 447 K C 1.995 178.641 176.600 0.077 0.000 1.051 447 K CA 1.753 58.085 56.287 0.074 0.000 0.941 447 K CB -0.668 31.856 32.500 0.039 0.000 0.719 447 K HN 0.333 nan 8.250 nan 0.000 0.440 448 A N 0.079 122.940 122.820 0.068 0.000 2.015 448 A HA -0.122 4.199 4.320 0.002 0.000 0.219 448 A C 2.076 179.701 177.584 0.068 0.000 1.163 448 A CA 1.025 53.084 52.037 0.037 0.000 0.646 448 A CB -1.057 17.943 19.000 0.001 0.000 0.806 448 A HN 0.618 nan 8.150 nan 0.000 0.448 449 W N 0.862 122.099 121.300 -0.104 0.000 2.468 449 W HA -0.106 4.556 4.660 0.002 0.000 0.262 449 W C 1.418 177.915 176.519 -0.037 0.000 1.241 449 W CA 1.307 58.594 57.345 -0.097 0.000 1.232 449 W CB 0.031 29.463 29.460 -0.047 0.000 1.124 449 W HN 0.580 nan 8.180 nan 0.000 0.597 450 E N 0.045 120.330 120.200 0.141 0.000 2.333 450 E HA -0.217 4.134 4.350 0.002 0.000 0.198 450 E C 2.045 178.650 176.600 0.008 0.000 1.007 450 E CA 0.630 57.080 56.400 0.083 0.000 0.845 450 E CB -0.174 29.573 29.700 0.078 0.000 0.766 450 E HN 0.150 nan 8.360 nan 0.000 0.507 451 K N 0.855 121.220 120.400 -0.058 0.000 2.211 451 K HA -0.057 4.264 4.320 0.002 0.000 0.203 451 K C 0.405 176.924 176.600 -0.135 0.000 1.050 451 K CA 0.303 56.528 56.287 -0.103 0.000 0.945 451 K CB 0.048 32.454 32.500 -0.156 0.000 0.732 451 K HN 0.111 nan 8.250 nan 0.000 0.451 452 L N 1.812 122.924 121.223 -0.185 0.000 2.367 452 L HA 0.061 4.402 4.340 0.002 0.000 0.275 452 L C 1.324 178.181 176.870 -0.022 0.000 1.129 452 L CA -0.198 54.540 54.840 -0.171 0.000 0.839 452 L CB 1.036 42.904 42.059 -0.319 0.000 1.133 452 L HN 0.123 nan 8.230 nan 0.000 0.453 453 E N 1.119 121.332 120.200 0.021 0.000 2.046 453 E HA -0.039 4.313 4.350 0.002 0.000 0.190 453 E C -0.116 176.608 176.600 0.207 0.000 0.982 453 E CA 0.985 57.462 56.400 0.127 0.000 0.800 453 E CB 0.198 29.987 29.700 0.149 0.000 0.756 453 E HN 0.602 nan 8.360 nan 0.000 0.449 454 T N 0.423 115.069 114.554 0.154 0.000 2.881 454 T HA 0.398 4.749 4.350 0.002 0.000 0.290 454 T C -1.484 173.301 174.700 0.141 0.000 1.000 454 T CA -0.579 61.576 62.100 0.092 0.000 0.978 454 T CB 1.454 70.405 68.868 0.139 0.000 0.997 454 T HN -0.044 nan 8.240 nan 0.000 0.443 455 F N 4.150 124.042 119.950 -0.097 0.000 2.539 455 F HA 0.676 5.204 4.527 0.002 0.000 0.328 455 F C -1.337 174.428 175.800 -0.057 0.000 1.148 455 F CA -1.382 56.640 58.000 0.036 0.000 0.940 455 F CB 0.940 40.079 39.000 0.231 0.000 1.194 455 F HN 0.308 nan 8.300 nan 0.000 0.438 456 V N 6.324 126.032 119.914 -0.343 0.000 2.513 456 V HA 0.744 4.865 4.120 0.002 0.000 0.299 456 V C -0.677 175.085 176.094 -0.553 0.000 1.035 456 V CA -0.868 61.092 62.300 -0.567 0.000 0.889 456 V CB 1.626 32.928 31.823 -0.868 0.000 0.988 456 V HN 0.560 nan 8.190 nan 0.000 0.440 457 V N 3.776 123.452 119.914 -0.397 0.000 2.789 457 V HA 0.528 4.649 4.120 0.002 0.000 0.311 457 V C -0.878 175.245 176.094 0.050 0.000 1.073 457 V CA -0.671 61.521 62.300 -0.181 0.000 0.921 457 V CB 2.173 33.806 31.823 -0.317 0.000 1.009 457 V HN 0.976 nan 8.190 nan 0.000 0.426 458 H N 2.654 121.723 119.070 -0.002 0.000 2.529 458 H HA 0.707 5.265 4.556 0.002 0.000 0.348 458 H C -1.098 174.203 175.328 -0.045 0.000 1.079 458 H CA -0.746 55.288 56.048 -0.024 0.000 1.198 458 H CB 2.476 32.258 29.762 0.035 0.000 1.521 458 H HN 0.626 nan 8.280 nan 0.000 0.514 459 D N 1.700 122.093 120.400 -0.012 0.000 2.665 459 D HA 0.025 4.666 4.640 0.002 0.000 0.287 459 D C -0.622 175.607 176.300 -0.117 0.000 1.266 459 D CA -0.548 53.377 54.000 -0.125 0.000 0.830 459 D CB 1.659 42.308 40.800 -0.253 0.000 1.356 459 D HN 0.457 nan 8.370 nan 0.000 0.437 460 F N -0.589 119.326 119.950 -0.058 0.000 2.682 460 F HA 0.478 5.006 4.527 0.002 0.000 0.308 460 F C 0.378 176.130 175.800 -0.079 0.000 1.093 460 F CA -0.235 57.723 58.000 -0.070 0.000 1.244 460 F CB 0.394 39.394 39.000 -0.002 0.000 1.052 460 F HN -0.095 nan 8.300 nan 0.000 0.573 461 Q N 0.319 119.965 119.800 -0.257 0.000 2.356 461 Q HA 0.151 4.492 4.340 0.002 0.000 0.270 461 Q C -1.602 174.256 176.000 -0.236 0.000 1.058 461 Q CA -0.545 55.210 55.803 -0.080 0.000 0.802 461 Q CB 1.851 30.653 28.738 0.106 0.000 1.303 461 Q HN 0.502 nan 8.270 nan 0.000 0.444 462 W N 3.180 124.415 121.300 -0.107 0.000 1.282 462 W HA 0.012 4.673 4.660 0.003 0.000 0.527 462 W C 1.022 177.239 176.519 -0.503 0.000 0.616 462 W CA 0.027 57.233 57.345 -0.232 0.000 2.357 462 W CB -0.155 29.223 29.460 -0.136 0.000 1.453 462 W HN 0.405 nan 8.180 nan 0.000 0.188 463 T N -1.514 112.745 114.554 -0.492 0.000 2.726 463 T HA 0.141 4.492 4.350 0.002 0.000 0.294 463 T C -1.465 172.953 174.700 -0.470 0.000 1.013 463 T CA -1.346 60.213 62.100 -0.903 0.000 0.996 463 T CB 1.008 69.476 68.868 -0.666 0.000 1.016 463 T HN -0.084 nan 8.240 nan 0.000 0.529 464 P HA -0.045 nan 4.420 nan 0.000 0.218 464 P C 1.600 178.827 177.300 -0.122 0.000 1.148 464 P CA 1.069 64.092 63.100 -0.127 0.000 0.822 464 P CB -0.288 31.419 31.700 0.011 0.000 0.784 465 T N -0.550 113.906 114.554 -0.164 0.000 2.708 465 T HA -0.130 4.221 4.350 0.002 0.000 0.266 465 T C 1.914 176.553 174.700 -0.103 0.000 1.037 465 T CA 1.708 63.735 62.100 -0.121 0.000 1.146 465 T CB -0.959 67.875 68.868 -0.057 0.000 0.865 465 T HN 0.044 nan 8.240 nan 0.000 0.435 466 A N 1.727 124.469 122.820 -0.129 0.000 1.902 466 A HA -0.118 4.203 4.320 0.002 0.000 0.217 466 A C 2.343 179.991 177.584 0.108 0.000 1.181 466 A CA 1.422 53.378 52.037 -0.135 0.000 0.623 466 A CB -0.514 18.299 19.000 -0.311 0.000 0.818 466 A HN 0.409 nan 8.150 nan 0.000 0.443 467 R N -1.526 119.078 120.500 0.173 0.000 2.152 467 R HA -0.127 4.214 4.340 0.002 0.000 0.232 467 R C 1.256 177.595 176.300 0.065 0.000 1.117 467 R CA 1.488 57.725 56.100 0.228 0.000 0.981 467 R CB -0.326 29.993 30.300 0.031 0.000 0.870 467 R HN 0.693 nan 8.270 nan 0.000 0.451 468 H N -0.665 118.321 119.070 -0.141 0.000 2.526 468 H HA 0.287 4.845 4.556 0.002 0.000 0.274 468 H C 0.138 175.522 175.328 0.093 0.000 0.999 468 H CA 0.091 56.006 56.048 -0.220 0.000 1.157 468 H CB 0.400 29.583 29.762 -0.966 0.000 1.407 468 H HN 0.181 nan 8.280 nan 0.000 0.568 469 A N 0.013 122.946 122.820 0.188 0.000 2.287 469 A HA 0.112 4.434 4.320 0.002 0.000 0.273 469 A C 0.774 178.431 177.584 0.122 0.000 1.091 469 A CA -0.381 51.692 52.037 0.059 0.000 0.817 469 A CB 0.594 19.461 19.000 -0.222 0.000 1.069 469 A HN 0.295 nan 8.150 nan 0.000 0.492 470 D N -0.265 120.120 120.400 -0.025 0.000 2.240 470 D HA 0.131 4.773 4.640 0.002 0.000 0.206 470 D C 0.056 176.284 176.300 -0.121 0.000 0.963 470 D CA 1.404 55.308 54.000 -0.159 0.000 0.863 470 D CB 0.198 40.625 40.800 -0.621 0.000 0.973 470 D HN 0.478 nan 8.370 nan 0.000 0.501 471 I N 1.125 121.591 120.570 -0.173 0.000 2.512 471 I HA 0.197 4.368 4.170 0.002 0.000 0.287 471 I C -1.031 174.975 176.117 -0.185 0.000 1.069 471 I CA -0.742 60.471 61.300 -0.143 0.000 1.056 471 I CB 2.981 40.869 38.000 -0.187 0.000 1.229 471 I HN -0.404 nan 8.210 nan 0.000 0.429 472 V N 7.021 126.819 119.914 -0.193 0.000 2.409 472 V HA 0.486 4.607 4.120 0.002 0.000 0.291 472 V C -0.175 175.719 176.094 -0.333 0.000 1.020 472 V CA -0.505 61.617 62.300 -0.298 0.000 0.848 472 V CB 1.816 33.368 31.823 -0.452 0.000 0.990 472 V HN 0.469 nan 8.190 nan 0.000 0.430 473 L N 7.128 128.175 121.223 -0.294 0.000 2.322 473 L HA 0.549 4.890 4.340 0.002 0.000 0.281 473 L C -2.382 174.337 176.870 -0.252 0.000 1.014 473 L CA -1.811 52.820 54.840 -0.349 0.000 0.815 473 L CB 2.578 44.438 42.059 -0.331 0.000 1.247 473 L HN 0.394 nan 8.230 nan 0.000 0.421 474 P HA 0.212 nan 4.420 nan 0.000 0.281 474 P C -0.723 176.628 177.300 0.084 0.000 1.286 474 P CA -0.125 62.929 63.100 -0.076 0.000 0.772 474 P CB 1.490 33.154 31.700 -0.060 0.000 0.862 475 A N 4.215 127.082 122.820 0.078 0.000 2.264 475 A HA 0.659 4.980 4.320 0.002 0.000 0.304 475 A C 0.679 178.340 177.584 0.128 0.000 1.100 475 A CA -0.286 51.824 52.037 0.122 0.000 0.839 475 A CB 0.096 19.214 19.000 0.197 0.000 1.121 475 A HN 0.573 nan 8.150 nan 0.000 0.496 476 T N -1.057 113.520 114.554 0.039 0.000 2.847 476 T HA 0.565 4.916 4.350 0.002 0.000 0.279 476 T C 0.582 175.152 174.700 -0.216 0.000 0.984 476 T CA 0.125 62.175 62.100 -0.083 0.000 0.988 476 T CB 0.747 69.539 68.868 -0.127 0.000 1.040 476 T HN 1.068 nan 8.240 nan 0.000 0.528 477 T N -1.096 113.165 114.554 -0.488 0.000 2.824 477 T HA 0.300 4.651 4.350 0.002 0.000 0.277 477 T C 1.443 175.806 174.700 -0.561 0.000 0.975 477 T CA -0.600 61.050 62.100 -0.751 0.000 0.966 477 T CB 0.475 68.873 68.868 -0.784 0.000 1.054 477 T HN 0.475 nan 8.240 nan 0.000 0.533 478 S N -0.077 115.170 115.700 -0.754 0.000 2.442 478 S HA -0.033 4.439 4.470 0.002 0.000 0.236 478 S C 1.305 175.526 174.600 -0.632 0.000 1.007 478 S CA 0.762 58.557 58.200 -0.676 0.000 0.965 478 S CB -0.686 62.098 63.200 -0.693 0.000 0.773 478 S HN 0.745 nan 8.310 nan 0.000 0.504 479 Y N 1.341 121.604 120.300 -0.061 0.000 2.583 479 Y HA 0.169 4.720 4.550 0.002 0.000 0.293 479 Y C 1.566 177.435 175.900 -0.051 0.000 1.157 479 Y CA -0.094 57.999 58.100 -0.011 0.000 1.315 479 Y CB -0.534 37.975 38.460 0.082 0.000 1.021 479 Y HN 0.309 nan 8.280 nan 0.000 0.536 480 E N 0.787 120.932 120.200 -0.092 0.000 2.499 480 E HA 0.182 4.534 4.350 0.002 0.000 0.199 480 E C 0.328 176.866 176.600 -0.104 0.000 1.016 480 E CA -0.239 56.113 56.400 -0.081 0.000 0.933 480 E CB 0.382 30.013 29.700 -0.116 0.000 1.050 480 E HN 0.390 nan 8.360 nan 0.000 0.462 481 R N -0.957 119.472 120.500 -0.118 0.000 2.829 481 R HA 0.404 4.746 4.340 0.002 0.000 0.267 481 R C -1.139 175.159 176.300 -0.003 0.000 1.051 481 R CA -0.905 55.130 56.100 -0.109 0.000 0.927 481 R CB 0.729 30.818 30.300 -0.352 0.000 1.292 481 R HN -0.185 nan 8.270 nan 0.000 0.445 482 N N -0.154 118.613 118.700 0.111 0.000 2.384 482 N HA 0.435 5.177 4.740 0.002 0.000 0.301 482 N C -1.375 174.312 175.510 0.295 0.000 1.133 482 N CA -0.264 52.919 53.050 0.221 0.000 0.853 482 N CB 1.766 40.422 38.487 0.282 0.000 1.241 482 N HN 0.525 nan 8.380 nan 0.000 0.502 483 D N 0.106 120.697 120.400 0.317 0.000 2.779 483 D HA 0.495 5.136 4.640 0.002 0.000 0.331 483 D C -1.421 175.085 176.300 0.344 0.000 1.331 483 D CA -0.408 53.772 54.000 0.300 0.000 0.866 483 D CB 2.175 43.116 40.800 0.236 0.000 1.409 483 D HN 0.383 nan 8.370 nan 0.000 0.486 484 I N 0.738 121.489 120.570 0.301 0.000 2.722 484 I HA 0.559 4.731 4.170 0.002 0.000 0.295 484 I C -1.758 174.469 176.117 0.182 0.000 1.161 484 I CA -0.349 61.149 61.300 0.329 0.000 1.032 484 I CB 1.975 40.278 38.000 0.504 0.000 1.244 484 I HN 0.329 nan 8.210 nan 0.000 0.421 485 E N 3.489 123.764 120.200 0.125 0.000 2.407 485 E HA 0.461 4.812 4.350 0.002 0.000 0.279 485 E C -1.508 175.113 176.600 0.035 0.000 1.012 485 E CA -0.424 55.999 56.400 0.039 0.000 0.800 485 E CB 2.210 31.892 29.700 -0.030 0.000 1.276 485 E HN 0.521 nan 8.360 nan 0.000 0.452 486 T N 2.288 116.853 114.554 0.018 0.000 2.897 486 T HA 0.447 4.798 4.350 0.002 0.000 0.294 486 T C 0.164 174.870 174.700 0.009 0.000 1.004 486 T CA -0.138 61.983 62.100 0.036 0.000 1.106 486 T CB 0.102 68.994 68.868 0.040 0.000 0.949 486 T HN 0.289 nan 8.240 nan 0.000 0.520 487 I N 2.774 123.354 120.570 0.016 0.000 2.306 487 I HA 0.499 4.671 4.170 0.002 0.000 0.288 487 I C 0.775 176.929 176.117 0.062 0.000 1.036 487 I CA -0.030 61.275 61.300 0.009 0.000 1.221 487 I CB 0.691 38.680 38.000 -0.018 0.000 1.385 487 I HN 0.886 nan 8.210 nan 0.000 0.472 488 G N 4.268 113.102 108.800 0.056 0.000 3.238 488 G HA2 -0.163 3.799 3.960 0.002 0.000 0.684 488 G HA3 -0.163 3.799 3.960 0.002 0.000 0.684 488 G C -0.232 174.694 174.900 0.043 0.000 1.156 488 G CA -0.721 44.428 45.100 0.082 0.000 1.048 488 G HN 0.756 nan 8.290 nan 0.000 0.462 489 D N 0.413 120.802 120.400 -0.020 0.000 2.149 489 D HA -0.082 4.559 4.640 0.002 0.000 0.198 489 D C 1.776 177.897 176.300 -0.299 0.000 0.990 489 D CA 2.164 56.056 54.000 -0.179 0.000 0.839 489 D CB 0.041 40.642 40.800 -0.332 0.000 0.948 489 D HN 0.652 nan 8.370 nan 0.000 0.460 490 Y N -0.437 119.901 120.300 0.064 0.000 2.500 490 Y HA 0.086 4.638 4.550 0.002 0.000 0.284 490 Y C 2.552 178.475 175.900 0.039 0.000 1.118 490 Y CA 0.571 58.696 58.100 0.040 0.000 1.241 490 Y CB -0.326 38.159 38.460 0.041 0.000 1.171 490 Y HN -0.055 nan 8.280 nan 0.000 0.540 491 S N -0.144 115.693 115.700 0.229 0.000 2.406 491 S HA -0.131 4.340 4.470 0.002 0.000 0.228 491 S C 1.049 175.743 174.600 0.156 0.000 1.020 491 S CA 0.799 59.107 58.200 0.181 0.000 0.965 491 S CB -0.551 62.767 63.200 0.197 0.000 0.798 491 S HN 0.505 nan 8.310 nan 0.000 0.488 492 N N 0.898 119.685 118.700 0.145 0.000 2.738 492 N HA -0.142 4.600 4.740 0.002 0.000 0.249 492 N C 0.427 176.107 175.510 0.284 0.000 1.047 492 N CA 0.940 54.102 53.050 0.185 0.000 0.707 492 N CB -2.084 36.484 38.487 0.135 0.000 0.937 492 N HN 0.510 nan 8.380 nan 0.000 0.545 493 T N -1.517 113.161 114.554 0.206 0.000 2.759 493 T HA 0.148 4.500 4.350 0.002 0.000 0.269 493 T C 1.118 175.869 174.700 0.085 0.000 1.042 493 T CA 1.600 63.809 62.100 0.181 0.000 1.140 493 T CB -0.164 68.806 68.868 0.170 0.000 0.864 493 T HN 0.794 nan 8.240 nan 0.000 0.455 494 G N -0.778 108.028 108.800 0.010 0.000 2.321 494 G HA2 0.508 4.469 3.960 0.002 0.000 0.296 494 G HA3 0.508 4.469 3.960 0.002 0.000 0.296 494 G C -2.071 172.744 174.900 -0.141 0.000 1.287 494 G CA -0.999 43.883 45.100 -0.365 0.000 0.846 494 G HN 0.210 nan 8.290 nan 0.000 0.508 495 I N 0.412 120.873 120.570 -0.181 0.000 2.465 495 I HA 0.529 4.700 4.170 0.002 0.000 0.291 495 I C -0.880 175.292 176.117 0.092 0.000 1.014 495 I CA -0.792 60.519 61.300 0.019 0.000 1.093 495 I CB 1.959 39.992 38.000 0.055 0.000 1.267 495 I HN 0.438 nan 8.210 nan 0.000 0.431 496 L N 6.229 127.494 121.223 0.070 0.000 2.334 496 L HA 0.763 5.104 4.340 0.002 0.000 0.276 496 L C -0.146 176.752 176.870 0.047 0.000 1.014 496 L CA -0.176 54.648 54.840 -0.025 0.000 0.815 496 L CB 1.693 43.634 42.059 -0.197 0.000 1.268 496 L HN 0.661 nan 8.230 nan 0.000 0.428 497 A N 5.932 128.620 122.820 -0.220 0.000 2.310 497 A HA 0.484 4.805 4.320 0.002 0.000 0.300 497 A C -0.105 177.213 177.584 -0.443 0.000 1.269 497 A CA -0.350 51.410 52.037 -0.462 0.000 0.909 497 A CB -0.288 17.817 19.000 -1.493 0.000 1.144 497 A HN 0.801 nan 8.150 nan 0.000 0.540 498 M N 3.840 123.330 119.600 -0.184 0.000 3.213 498 M HA 0.107 4.589 4.480 0.002 0.000 0.275 498 M C -0.008 176.230 176.300 -0.103 0.000 1.424 498 M CA 0.316 55.522 55.300 -0.157 0.000 1.561 498 M CB -0.278 32.292 32.600 -0.051 0.000 1.109 498 M HN 0.555 nan 8.290 nan 0.000 0.552 499 K N 1.658 121.914 120.400 -0.240 0.000 2.258 499 K HA 0.161 4.483 4.320 0.002 0.000 0.264 499 K C 0.172 176.757 176.600 -0.025 0.000 1.007 499 K CA -0.267 55.948 56.287 -0.120 0.000 0.941 499 K CB 0.835 33.174 32.500 -0.269 0.000 0.966 499 K HN 0.352 nan 8.250 nan 0.000 0.480 500 K N 2.417 122.847 120.400 0.051 0.000 2.448 500 K HA -0.001 4.320 4.320 0.002 0.000 0.278 500 K C 0.290 176.913 176.600 0.039 0.000 1.009 500 K CA 0.201 56.516 56.287 0.046 0.000 0.995 500 K CB 0.389 32.923 32.500 0.056 0.000 0.917 500 K HN 0.531 nan 8.250 nan 0.000 0.481 501 I N 3.413 124.025 120.570 0.071 0.000 3.300 501 I HA 0.014 4.186 4.170 0.002 0.000 0.279 501 I C 0.088 176.257 176.117 0.088 0.000 1.172 501 I CA -0.059 61.295 61.300 0.089 0.000 1.431 501 I CB 0.951 39.051 38.000 0.166 0.000 1.240 501 I HN 0.456 nan 8.210 nan 0.000 0.453 502 V N -2.433 117.532 119.914 0.084 0.000 3.078 502 V HA 0.533 4.654 4.120 0.002 0.000 0.311 502 V C -0.672 175.437 176.094 0.024 0.000 1.138 502 V CA -1.002 61.335 62.300 0.061 0.000 1.007 502 V CB 1.995 33.869 31.823 0.085 0.000 1.045 502 V HN -0.088 nan 8.190 nan 0.000 0.432 503 E N 1.612 121.819 120.200 0.012 0.000 2.392 503 E HA 0.373 4.724 4.350 0.002 0.000 0.259 503 E C -2.539 174.042 176.600 -0.032 0.000 1.108 503 E CA -1.937 54.459 56.400 -0.007 0.000 0.916 503 E CB 0.327 30.024 29.700 -0.006 0.000 0.989 503 E HN 0.615 nan 8.360 nan 0.000 0.432 504 P HA -0.038 nan 4.420 nan 0.000 0.262 504 P C -0.452 176.809 177.300 -0.065 0.000 1.182 504 P CA 0.185 63.254 63.100 -0.052 0.000 0.761 504 P CB 0.282 31.961 31.700 -0.035 0.000 0.795 505 L N 5.417 126.579 121.223 -0.102 0.000 2.371 505 L HA 0.207 4.548 4.340 0.002 0.000 0.272 505 L C 0.649 177.466 176.870 -0.089 0.000 1.124 505 L CA 0.431 55.137 54.840 -0.224 0.000 0.816 505 L CB -0.432 41.436 42.059 -0.318 0.000 1.129 505 L HN 0.483 nan 8.230 nan 0.000 0.448 506 Y N 0.746 121.059 120.300 0.022 0.000 2.850 506 Y HA -0.412 4.140 4.550 0.002 0.000 0.469 506 Y C 1.196 177.142 175.900 0.077 0.000 1.165 506 Y CA 1.299 59.408 58.100 0.015 0.000 2.638 506 Y CB -0.862 37.528 38.460 -0.117 0.000 1.196 506 Y HN 0.627 nan 8.280 nan 0.000 0.625 507 E N 1.360 121.744 120.200 0.308 0.000 2.499 507 E HA 0.524 4.875 4.350 0.002 0.000 0.199 507 E C 0.086 176.938 176.600 0.419 0.000 1.016 507 E CA 0.323 56.949 56.400 0.376 0.000 0.933 507 E CB 0.334 30.313 29.700 0.465 0.000 1.050 507 E HN 0.464 nan 8.360 nan 0.000 0.462 508 A N 1.659 124.631 122.820 0.254 0.000 2.445 508 A HA 0.336 4.657 4.320 0.002 0.000 0.242 508 A C 0.209 177.866 177.584 0.121 0.000 1.075 508 A CA 0.203 52.367 52.037 0.212 0.000 0.777 508 A CB 0.416 19.486 19.000 0.116 0.000 1.013 508 A HN 0.144 nan 8.150 nan 0.000 0.493 509 R N 0.417 120.961 120.500 0.074 0.000 2.837 509 R HA 0.509 4.850 4.340 0.002 0.000 0.271 509 R C -0.068 176.194 176.300 -0.064 0.000 0.993 509 R CA -0.393 55.645 56.100 -0.103 0.000 0.931 509 R CB 2.023 32.077 30.300 -0.409 0.000 1.206 509 R HN 0.915 nan 8.270 nan 0.000 0.474 510 S N -0.215 115.455 115.700 -0.051 0.000 2.600 510 S HA 0.032 4.503 4.470 0.002 0.000 0.265 510 S C 0.510 175.146 174.600 0.060 0.000 1.325 510 S CA -0.532 57.674 58.200 0.010 0.000 1.002 510 S CB 0.757 63.978 63.200 0.036 0.000 0.921 510 S HN 0.551 nan 8.310 nan 0.000 0.554 511 D N 0.130 120.618 120.400 0.146 0.000 2.144 511 D HA -0.149 4.493 4.640 0.002 0.000 0.199 511 D C 1.492 177.914 176.300 0.204 0.000 0.984 511 D CA 1.570 55.655 54.000 0.141 0.000 0.834 511 D CB -0.280 40.697 40.800 0.295 0.000 0.955 511 D HN 0.764 nan 8.370 nan 0.000 0.465 512 Y N 2.356 122.812 120.300 0.260 0.000 2.081 512 Y HA -0.252 4.300 4.550 0.002 0.000 0.280 512 Y C 1.855 177.879 175.900 0.207 0.000 1.163 512 Y CA 1.863 60.153 58.100 0.316 0.000 1.135 512 Y CB -0.148 38.469 38.460 0.261 0.000 0.970 512 Y HN -0.166 nan 8.280 nan 0.000 0.498 513 D N 0.053 120.622 120.400 0.282 0.000 2.144 513 D HA -0.174 4.468 4.640 0.002 0.000 0.199 513 D C 2.300 178.519 176.300 -0.134 0.000 0.984 513 D CA 1.763 55.810 54.000 0.079 0.000 0.834 513 D CB -0.345 40.458 40.800 0.006 0.000 0.955 513 D HN 0.468 nan 8.370 nan 0.000 0.465 514 I N 0.025 120.469 120.570 -0.210 0.000 2.142 514 I HA -0.263 3.908 4.170 0.002 0.000 0.240 514 I C 2.020 177.999 176.117 -0.231 0.000 1.078 514 I CA 0.838 61.962 61.300 -0.293 0.000 1.343 514 I CB -0.251 37.505 38.000 -0.406 0.000 1.046 514 I HN -0.104 nan 8.210 nan 0.000 0.405 515 F N 1.087 120.933 119.950 -0.174 0.000 2.216 515 F HA -0.147 4.381 4.527 0.002 0.000 0.300 515 F C 2.583 177.836 175.800 -0.913 0.000 1.085 515 F CA 1.018 58.748 58.000 -0.450 0.000 1.326 515 F CB -1.146 37.609 39.000 -0.409 0.000 1.027 515 F HN 0.009 nan 8.300 nan 0.000 0.497 516 A N -0.086 122.310 122.820 -0.706 0.000 1.933 516 A HA -0.018 4.303 4.320 0.002 0.000 0.218 516 A C 2.453 179.862 177.584 -0.291 0.000 1.175 516 A CA 1.659 53.325 52.037 -0.617 0.000 0.628 516 A CB -1.178 17.675 19.000 -0.245 0.000 0.814 516 A HN 0.283 nan 8.150 nan 0.000 0.444 517 A N -0.608 122.093 122.820 -0.197 0.000 1.898 517 A HA 0.050 4.371 4.320 0.002 0.000 0.216 517 A C 2.205 179.746 177.584 -0.071 0.000 1.181 517 A CA 1.667 53.640 52.037 -0.106 0.000 0.620 517 A CB -0.804 18.140 19.000 -0.094 0.000 0.819 517 A HN 0.359 nan 8.150 nan 0.000 0.442 518 V N -0.139 119.733 119.914 -0.069 0.000 2.358 518 V HA -0.213 3.909 4.120 0.002 0.000 0.246 518 V C 3.041 179.106 176.094 -0.047 0.000 1.047 518 V CA 1.845 64.144 62.300 -0.002 0.000 1.035 518 V CB -1.184 30.692 31.823 0.088 0.000 0.658 518 V HN 0.596 nan 8.190 nan 0.000 0.452 519 A N -0.110 122.612 122.820 -0.164 0.000 1.933 519 A HA -0.251 4.071 4.320 0.002 0.000 0.218 519 A C 2.173 179.728 177.584 -0.047 0.000 1.175 519 A CA 1.984 53.943 52.037 -0.130 0.000 0.628 519 A CB -0.507 18.343 19.000 -0.250 0.000 0.814 519 A HN 0.541 nan 8.150 nan 0.000 0.444 520 E N 0.183 120.353 120.200 -0.050 0.000 2.085 520 E HA -0.176 4.176 4.350 0.002 0.000 0.194 520 E C 2.084 178.689 176.600 0.007 0.000 0.994 520 E CA 1.526 57.922 56.400 -0.007 0.000 0.801 520 E CB -0.211 29.484 29.700 -0.008 0.000 0.743 520 E HN 0.598 nan 8.360 nan 0.000 0.453 521 R N -0.622 119.883 120.500 0.009 0.000 2.235 521 R HA 0.070 4.411 4.340 0.002 0.000 0.213 521 R C 1.813 178.131 176.300 0.031 0.000 1.059 521 R CA 0.717 56.832 56.100 0.026 0.000 0.997 521 R CB -0.024 30.299 30.300 0.038 0.000 0.884 521 R HN 0.245 nan 8.270 nan 0.000 0.462 522 L N -0.773 120.466 121.223 0.027 0.000 2.592 522 L HA 0.216 4.558 4.340 0.002 0.000 0.227 522 L C 0.903 177.793 176.870 0.032 0.000 1.127 522 L CA 0.305 55.166 54.840 0.034 0.000 0.884 522 L CB 0.355 42.435 42.059 0.035 0.000 1.065 522 L HN 0.417 nan 8.230 nan 0.000 0.457 523 G N 0.512 109.329 108.800 0.029 0.000 2.132 523 G HA2 -0.223 3.738 3.960 0.002 0.000 0.228 523 G HA3 -0.223 3.738 3.960 0.002 0.000 0.228 523 G C 0.507 175.429 174.900 0.037 0.000 1.000 523 G CA -0.150 44.968 45.100 0.030 0.000 0.693 523 G HN 0.202 nan 8.290 nan 0.000 0.515 524 K N 0.159 120.584 120.400 0.041 0.000 2.646 524 K HA 0.322 4.643 4.320 0.002 0.000 0.206 524 K C 2.041 178.693 176.600 0.086 0.000 1.069 524 K CA 0.391 56.715 56.287 0.061 0.000 1.067 524 K CB 0.440 32.980 32.500 0.067 0.000 0.807 524 K HN 0.336 nan 8.250 nan 0.000 0.482 525 G N 1.387 110.227 108.800 0.067 0.000 2.459 525 G HA2 -0.305 3.657 3.960 0.002 0.000 0.217 525 G HA3 -0.305 3.657 3.960 0.002 0.000 0.217 525 G C 1.471 176.452 174.900 0.135 0.000 1.183 525 G CA 1.243 46.394 45.100 0.086 0.000 0.776 525 G HN 0.350 nan 8.290 nan 0.000 0.552 526 A N 0.588 123.468 122.820 0.099 0.000 1.969 526 A HA 0.045 4.366 4.320 0.002 0.000 0.218 526 A C 2.207 179.857 177.584 0.111 0.000 1.169 526 A CA 2.100 54.193 52.037 0.094 0.000 0.635 526 A CB -0.307 18.727 19.000 0.056 0.000 0.810 526 A HN 0.372 nan 8.150 nan 0.000 0.445 527 E N -1.081 119.187 120.200 0.113 0.000 2.110 527 E HA -0.110 4.241 4.350 0.002 0.000 0.193 527 E C 1.565 178.251 176.600 0.144 0.000 0.988 527 E CA 1.161 57.626 56.400 0.109 0.000 0.804 527 E CB -0.373 29.384 29.700 0.095 0.000 0.745 527 E HN 0.700 nan 8.360 nan 0.000 0.458 528 F N 0.874 120.852 119.950 0.046 0.000 2.113 528 F HA -0.180 4.349 4.527 0.003 0.000 0.297 528 F C 2.364 178.244 175.800 0.134 0.000 1.103 528 F CA 1.857 59.877 58.000 0.034 0.000 1.248 528 F CB -0.382 38.596 39.000 -0.036 0.000 0.999 528 F HN 0.081 nan 8.300 nan 0.000 0.475 529 T N -3.096 111.640 114.554 0.303 0.000 3.043 529 T HA 0.021 4.372 4.350 0.002 0.000 0.263 529 T C 1.090 175.998 174.700 0.347 0.000 1.094 529 T CA 0.864 63.207 62.100 0.404 0.000 1.127 529 T CB -0.044 69.056 68.868 0.387 0.000 0.905 529 T HN 0.274 nan 8.240 nan 0.000 0.490 530 E N 0.646 120.950 120.200 0.173 0.000 3.070 530 E HA -0.157 4.195 4.350 0.002 0.000 0.285 530 E C 1.026 177.558 176.600 -0.114 0.000 0.972 530 E CA 1.151 57.560 56.400 0.015 0.000 0.915 530 E CB -1.970 27.714 29.700 -0.027 0.000 1.466 530 E HN 1.137 nan 8.360 nan 0.000 0.432 531 G N -0.618 108.156 108.800 -0.044 0.000 2.168 531 G HA2 -0.398 3.563 3.960 0.002 0.000 0.257 531 G HA3 -0.398 3.563 3.960 0.002 0.000 0.257 531 G C 0.255 175.050 174.900 -0.175 0.000 0.997 531 G CA 0.974 46.024 45.100 -0.084 0.000 0.708 531 G HN 0.429 nan 8.290 nan 0.000 0.520 532 K N 0.279 120.520 120.400 -0.266 0.000 2.221 532 K HA 0.578 4.899 4.320 0.002 0.000 0.243 532 K C -0.239 176.258 176.600 -0.172 0.000 0.968 532 K CA -0.511 55.516 56.287 -0.434 0.000 0.846 532 K CB 1.334 33.147 32.500 -1.144 0.000 1.141 532 K HN 0.264 nan 8.250 nan 0.000 0.434 533 D N -0.638 119.669 120.400 -0.155 0.000 2.569 533 D HA 0.025 4.667 4.640 0.002 0.000 0.266 533 D C 0.766 177.047 176.300 -0.031 0.000 1.164 533 D CA -0.596 53.390 54.000 -0.024 0.000 1.071 533 D CB 0.478 41.255 40.800 -0.039 0.000 1.183 533 D HN 0.624 nan 8.370 nan 0.000 0.613 534 E N -0.957 119.204 120.200 -0.065 0.000 2.070 534 E HA -0.219 4.133 4.350 0.002 0.000 0.197 534 E C 1.793 178.325 176.600 -0.113 0.000 1.004 534 E CA 1.397 57.733 56.400 -0.106 0.000 0.805 534 E CB -0.007 29.655 29.700 -0.063 0.000 0.744 534 E HN 0.335 nan 8.360 nan 0.000 0.451 535 M N -0.210 119.300 119.600 -0.149 0.000 2.319 535 M HA 0.005 4.486 4.480 0.002 0.000 0.265 535 M C 2.339 178.440 176.300 -0.331 0.000 1.068 535 M CA 1.230 56.385 55.300 -0.241 0.000 1.118 535 M CB -1.001 31.455 32.600 -0.240 0.000 1.395 535 M HN 0.246 nan 8.290 nan 0.000 0.435 536 G N -1.144 107.476 108.800 -0.299 0.000 2.408 536 G HA2 -0.216 3.745 3.960 0.002 0.000 0.217 536 G HA3 -0.216 3.745 3.960 0.002 0.000 0.217 536 G C 1.399 176.014 174.900 -0.475 0.000 1.150 536 G CA 0.226 45.091 45.100 -0.392 0.000 0.776 536 G HN 0.442 nan 8.290 nan 0.000 0.542 537 W N 0.626 121.642 121.300 -0.473 0.000 2.355 537 W HA 0.061 4.723 4.660 0.002 0.000 0.309 537 W C 2.556 178.398 176.519 -1.128 0.000 1.206 537 W CA 0.257 57.175 57.345 -0.712 0.000 1.284 537 W CB -0.184 28.942 29.460 -0.557 0.000 1.145 537 W HN 0.099 nan 8.180 nan 0.000 0.502 538 I N 0.339 120.626 120.570 -0.471 0.000 2.226 538 I HA -0.341 3.830 4.170 0.002 0.000 0.245 538 I C 2.440 178.344 176.117 -0.355 0.000 1.100 538 I CA 1.560 62.666 61.300 -0.324 0.000 1.374 538 I CB -0.561 37.393 38.000 -0.076 0.000 1.057 538 I HN -0.054 nan 8.210 nan 0.000 0.413 539 K N 0.847 120.866 120.400 -0.636 0.000 2.097 539 K HA -0.197 4.124 4.320 0.002 0.000 0.206 539 K C 2.312 178.671 176.600 -0.401 0.000 1.049 539 K CA 1.778 57.554 56.287 -0.851 0.000 0.933 539 K CB -0.069 31.798 32.500 -1.055 0.000 0.717 539 K HN 0.381 nan 8.250 nan 0.000 0.442 540 S N -0.108 115.340 115.700 -0.419 0.000 2.383 540 S HA -0.130 4.341 4.470 0.002 0.000 0.227 540 S C 1.781 176.357 174.600 -0.040 0.000 1.026 540 S CA 0.824 58.874 58.200 -0.251 0.000 0.981 540 S CB -0.562 62.462 63.200 -0.294 0.000 0.818 540 S HN 0.249 nan 8.310 nan 0.000 0.472 541 F N 0.848 120.821 119.950 0.037 0.000 2.146 541 F HA 0.134 4.662 4.527 0.002 0.000 0.298 541 F C 2.426 178.253 175.800 0.045 0.000 1.096 541 F CA 0.004 58.034 58.000 0.051 0.000 1.275 541 F CB -1.676 37.372 39.000 0.079 0.000 1.008 541 F HN 0.232 nan 8.300 nan 0.000 0.480 542 Y N 1.511 121.900 120.300 0.149 0.000 2.114 542 Y HA -0.247 4.304 4.550 0.002 0.000 0.284 542 Y C 2.177 178.108 175.900 0.053 0.000 1.143 542 Y CA 1.956 60.115 58.100 0.098 0.000 1.135 542 Y CB -0.602 37.993 38.460 0.225 0.000 0.980 542 Y HN -0.045 nan 8.280 nan 0.000 0.499 543 D N 0.092 120.532 120.400 0.066 0.000 2.149 543 D HA -0.179 4.462 4.640 0.002 0.000 0.198 543 D C 1.730 177.979 176.300 -0.086 0.000 0.990 543 D CA 1.637 55.628 54.000 -0.015 0.000 0.839 543 D CB -0.396 40.410 40.800 0.008 0.000 0.948 543 D HN 0.444 nan 8.370 nan 0.000 0.460 544 D N 0.241 120.613 120.400 -0.046 0.000 2.117 544 D HA -0.076 4.566 4.640 0.002 0.000 0.197 544 D C 2.027 178.270 176.300 -0.094 0.000 0.987 544 D CA 1.241 55.215 54.000 -0.043 0.000 0.829 544 D CB -0.293 40.516 40.800 0.015 0.000 0.961 544 D HN 0.145 nan 8.370 nan 0.000 0.460 545 A N 0.975 123.710 122.820 -0.141 0.000 1.902 545 A HA -0.046 4.275 4.320 0.002 0.000 0.217 545 A C 2.304 179.741 177.584 -0.244 0.000 1.181 545 A CA 2.164 54.088 52.037 -0.188 0.000 0.623 545 A CB -0.671 18.210 19.000 -0.198 0.000 0.818 545 A HN 0.233 nan 8.150 nan 0.000 0.443 546 A N -0.304 122.304 122.820 -0.354 0.000 1.902 546 A HA -0.163 4.159 4.320 0.002 0.000 0.217 546 A C 2.137 179.641 177.584 -0.133 0.000 1.181 546 A CA 1.962 53.834 52.037 -0.275 0.000 0.623 546 A CB -0.443 18.386 19.000 -0.285 0.000 0.818 546 A HN 0.543 nan 8.150 nan 0.000 0.443 547 K N -0.501 119.833 120.400 -0.109 0.000 2.057 547 K HA -0.229 4.092 4.320 0.002 0.000 0.207 547 K C 2.342 178.900 176.600 -0.070 0.000 1.049 547 K CA 1.703 57.949 56.287 -0.067 0.000 0.931 547 K CB -0.183 32.285 32.500 -0.054 0.000 0.714 547 K HN 0.666 nan 8.250 nan 0.000 0.440 548 Q N -0.377 119.370 119.800 -0.089 0.000 2.084 548 Q HA -0.124 4.218 4.340 0.002 0.000 0.202 548 Q C 1.900 177.839 176.000 -0.103 0.000 0.978 548 Q CA 1.818 57.567 55.803 -0.091 0.000 0.844 548 Q CB -0.261 28.418 28.738 -0.099 0.000 0.898 548 Q HN 0.432 nan 8.270 nan 0.000 0.426 549 G N 1.339 110.065 108.800 -0.124 0.000 2.421 549 G HA2 -0.309 3.652 3.960 0.002 0.000 0.216 549 G HA3 -0.309 3.652 3.960 0.002 0.000 0.216 549 G C 1.403 176.259 174.900 -0.073 0.000 1.171 549 G CA 0.944 45.968 45.100 -0.126 0.000 0.775 549 G HN 0.406 nan 8.290 nan 0.000 0.543 550 K N 0.707 121.077 120.400 -0.051 0.000 2.103 550 K HA 0.042 4.364 4.320 0.002 0.000 0.207 550 K C 2.607 179.190 176.600 -0.028 0.000 1.048 550 K CA 1.320 57.592 56.287 -0.025 0.000 0.930 550 K CB -0.309 32.183 32.500 -0.015 0.000 0.716 550 K HN 0.211 nan 8.250 nan 0.000 0.444 551 A N 0.412 123.209 122.820 -0.038 0.000 2.066 551 A HA 0.049 4.370 4.320 0.002 0.000 0.218 551 A C 1.985 179.547 177.584 -0.036 0.000 1.157 551 A CA 1.408 53.425 52.037 -0.034 0.000 0.670 551 A CB -0.316 18.661 19.000 -0.038 0.000 0.804 551 A HN 0.446 nan 8.150 nan 0.000 0.453 552 A N -2.034 120.758 122.820 -0.048 0.000 2.348 552 A HA 0.459 4.780 4.320 0.002 0.000 0.224 552 A C 1.567 179.128 177.584 -0.037 0.000 1.227 552 A CA 0.987 52.994 52.037 -0.049 0.000 0.885 552 A CB -0.582 18.372 19.000 -0.075 0.000 0.933 552 A HN 1.767 nan 8.150 nan 0.000 0.506 553 G N -1.143 107.641 108.800 -0.026 0.000 2.136 553 G HA2 -0.168 3.794 3.960 0.002 0.000 0.242 553 G HA3 -0.168 3.794 3.960 0.002 0.000 0.242 553 G C 0.002 174.899 174.900 -0.005 0.000 0.989 553 G CA 0.139 45.233 45.100 -0.010 0.000 0.682 553 G HN 0.813 nan 8.290 nan 0.000 0.522 554 V N 0.691 120.594 119.914 -0.019 0.000 2.370 554 V HA 0.428 4.550 4.120 0.002 0.000 0.279 554 V C 0.474 176.590 176.094 0.037 0.000 1.029 554 V CA -0.663 61.637 62.300 0.001 0.000 0.870 554 V CB 1.581 33.365 31.823 -0.065 0.000 0.984 554 V HN 0.397 nan 8.190 nan 0.000 0.451 555 E N 5.134 125.379 120.200 0.075 0.000 2.259 555 E HA 0.571 4.922 4.350 0.002 0.000 0.281 555 E C -0.680 175.997 176.600 0.128 0.000 1.037 555 E CA -0.047 56.404 56.400 0.085 0.000 0.854 555 E CB 1.189 30.936 29.700 0.078 0.000 1.051 555 E HN 0.567 nan 8.360 nan 0.000 0.409 556 M N 3.263 122.937 119.600 0.123 0.000 2.501 556 M HA 0.400 4.882 4.480 0.002 0.000 0.293 556 M C -2.323 174.091 176.300 0.190 0.000 1.192 556 M CA -1.992 53.414 55.300 0.176 0.000 0.886 556 M CB 1.887 34.587 32.600 0.167 0.000 1.710 556 M HN 0.366 nan 8.290 nan 0.000 0.457 557 P HA 0.447 nan 4.420 nan 0.000 0.274 557 P C -0.938 176.541 177.300 0.298 0.000 1.256 557 P CA -0.569 62.663 63.100 0.220 0.000 0.795 557 P CB 0.272 32.085 31.700 0.188 0.000 1.038 558 A N 0.068 123.024 122.820 0.227 0.000 2.386 558 A HA 0.117 4.438 4.320 0.002 0.000 0.246 558 A C 1.058 178.795 177.584 0.255 0.000 1.089 558 A CA -0.349 51.845 52.037 0.262 0.000 0.790 558 A CB -0.599 18.505 19.000 0.172 0.000 1.042 558 A HN 0.608 nan 8.150 nan 0.000 0.497 559 F N 0.448 120.475 119.950 0.129 0.000 2.091 559 F HA -0.245 4.284 4.527 0.002 0.000 0.299 559 F C 1.716 177.534 175.800 0.031 0.000 1.103 559 F CA 2.752 60.726 58.000 -0.043 0.000 1.228 559 F CB -0.087 38.915 39.000 0.003 0.000 0.984 559 F HN 0.668 nan 8.300 nan 0.000 0.477 560 D N 0.272 120.654 120.400 -0.029 0.000 2.144 560 D HA -0.154 4.488 4.640 0.002 0.000 0.199 560 D C 2.345 178.579 176.300 -0.110 0.000 0.984 560 D CA 1.456 55.387 54.000 -0.114 0.000 0.834 560 D CB -0.612 40.196 40.800 0.013 0.000 0.955 560 D HN 0.416 nan 8.370 nan 0.000 0.465 561 A N 0.443 123.241 122.820 -0.037 0.000 1.929 561 A HA -0.125 4.196 4.320 0.002 0.000 0.216 561 A C 2.028 179.581 177.584 -0.051 0.000 1.176 561 A CA 0.796 52.819 52.037 -0.023 0.000 0.628 561 A CB -0.829 18.193 19.000 0.036 0.000 0.816 561 A HN 0.276 nan 8.150 nan 0.000 0.444 562 F N -0.800 119.024 119.950 -0.209 0.000 2.102 562 F HA -0.165 4.364 4.527 0.002 0.000 0.298 562 F C 2.130 177.755 175.800 -0.292 0.000 1.105 562 F CA 1.505 59.348 58.000 -0.261 0.000 1.239 562 F CB -0.534 38.179 39.000 -0.477 0.000 0.991 562 F HN 0.481 nan 8.300 nan 0.000 0.474 563 W N 1.244 121.908 121.300 -1.060 0.000 2.363 563 W HA -0.162 4.500 4.660 0.002 0.000 0.296 563 W C 2.356 178.498 176.519 -0.628 0.000 1.212 563 W CA 1.921 58.633 57.345 -1.056 0.000 1.260 563 W CB -0.470 28.421 29.460 -0.948 0.000 1.131 563 W HN 0.228 nan 8.180 nan 0.000 0.530 564 A N 0.483 123.131 122.820 -0.287 0.000 1.933 564 A HA -0.228 4.093 4.320 0.002 0.000 0.218 564 A C 1.734 179.152 177.584 -0.278 0.000 1.175 564 A CA 1.912 53.815 52.037 -0.224 0.000 0.628 564 A CB -0.764 18.164 19.000 -0.119 0.000 0.814 564 A HN 0.421 nan 8.150 nan 0.000 0.444 565 E N -2.147 117.877 120.200 -0.293 0.000 2.230 565 E HA 0.229 4.581 4.350 0.002 0.000 0.192 565 E C 1.403 177.788 176.600 -0.358 0.000 0.987 565 E CA 0.462 56.715 56.400 -0.245 0.000 0.841 565 E CB -0.065 29.552 29.700 -0.138 0.000 0.783 565 E HN 0.733 nan 8.360 nan 0.000 0.481 566 G N 1.312 109.751 108.800 -0.601 0.000 2.199 566 G HA2 -0.293 3.668 3.960 0.002 0.000 0.254 566 G HA3 -0.293 3.668 3.960 0.002 0.000 0.254 566 G C 0.152 174.708 174.900 -0.573 0.000 0.982 566 G CA 0.410 45.066 45.100 -0.739 0.000 0.632 566 G HN 0.324 nan 8.290 nan 0.000 0.529 567 I N -0.694 119.687 120.570 -0.315 0.000 2.882 567 I HA 0.564 4.735 4.170 0.002 0.000 0.298 567 I C -1.461 174.706 176.117 0.085 0.000 1.462 567 I CA -1.106 60.156 61.300 -0.063 0.000 1.000 567 I CB 2.084 39.975 38.000 -0.182 0.000 1.340 567 I HN 0.037 nan 8.210 nan 0.000 0.462 568 V N 5.362 125.320 119.914 0.073 0.000 2.483 568 V HA 0.481 4.603 4.120 0.002 0.000 0.297 568 V C -0.603 175.289 176.094 -0.337 0.000 1.027 568 V CA -0.544 61.727 62.300 -0.049 0.000 0.855 568 V CB 1.701 33.502 31.823 -0.038 0.000 0.995 568 V HN 0.681 nan 8.190 nan 0.000 0.424 569 E N 3.444 123.496 120.200 -0.248 0.000 2.214 569 E HA 0.650 5.002 4.350 0.002 0.000 0.274 569 E C -1.486 174.954 176.600 -0.267 0.000 0.977 569 E CA -0.536 55.697 56.400 -0.280 0.000 0.827 569 E CB 1.967 31.652 29.700 -0.025 0.000 1.130 569 E HN 0.477 nan 8.360 nan 0.000 0.394 570 F N 1.767 121.767 119.950 0.082 0.000 2.470 570 F HA 0.387 4.916 4.527 0.002 0.000 0.329 570 F C -1.872 173.965 175.800 0.062 0.000 1.072 570 F CA -2.798 55.239 58.000 0.061 0.000 0.989 570 F CB 0.504 39.532 39.000 0.046 0.000 1.193 570 F HN 0.234 nan 8.300 nan 0.000 0.481 571 P HA 0.245 nan 4.420 nan 0.000 0.278 571 P C -0.883 176.497 177.300 0.134 0.000 1.238 571 P CA -0.244 62.950 63.100 0.156 0.000 0.794 571 P CB 1.552 33.323 31.700 0.119 0.000 0.955 572 V N 3.100 123.082 119.914 0.112 0.000 2.406 572 V HA 0.136 4.257 4.120 0.002 0.000 0.272 572 V C 1.686 177.826 176.094 0.077 0.000 1.043 572 V CA 0.404 62.762 62.300 0.097 0.000 0.915 572 V CB 0.639 32.523 31.823 0.102 0.000 0.988 572 V HN 0.861 nan 8.190 nan 0.000 0.466 573 T N 1.108 115.700 114.554 0.064 0.000 3.535 573 T HA 0.038 4.389 4.350 0.002 0.000 0.223 573 T C 0.972 175.707 174.700 0.058 0.000 0.933 573 T CA 0.769 62.901 62.100 0.054 0.000 1.445 573 T CB -0.118 68.774 68.868 0.040 0.000 1.286 573 T HN 0.617 nan 8.240 nan 0.000 0.436 574 D N 0.677 121.112 120.400 0.057 0.000 2.395 574 D HA 0.275 4.917 4.640 0.002 0.000 0.213 574 D C 1.945 178.300 176.300 0.091 0.000 1.110 574 D CA 0.230 54.272 54.000 0.070 0.000 0.835 574 D CB -0.674 40.165 40.800 0.066 0.000 0.965 574 D HN 0.573 nan 8.370 nan 0.000 0.505 575 G N 0.987 109.837 108.800 0.082 0.000 2.450 575 G HA2 -0.215 3.747 3.960 0.002 0.000 0.220 575 G HA3 -0.215 3.747 3.960 0.002 0.000 0.220 575 G C 1.543 176.524 174.900 0.135 0.000 1.130 575 G CA 0.854 46.010 45.100 0.092 0.000 0.760 575 G HN 0.463 nan 8.290 nan 0.000 0.557 576 A N 0.196 123.093 122.820 0.127 0.000 2.209 576 A HA 0.117 4.438 4.320 0.002 0.000 0.212 576 A C 1.544 179.208 177.584 0.134 0.000 1.158 576 A CA 1.412 53.531 52.037 0.137 0.000 0.742 576 A CB 0.006 19.078 19.000 0.120 0.000 0.790 576 A HN 0.269 nan 8.150 nan 0.000 0.472 577 D N -1.613 118.867 120.400 0.133 0.000 2.395 577 D HA 0.141 4.782 4.640 0.002 0.000 0.213 577 D C -0.243 176.128 176.300 0.119 0.000 1.110 577 D CA -0.299 53.764 54.000 0.106 0.000 0.835 577 D CB -0.010 40.840 40.800 0.084 0.000 0.965 577 D HN 0.382 nan 8.370 nan 0.000 0.505 578 F N 2.094 122.054 119.950 0.017 0.000 2.538 578 F HA 0.149 4.678 4.527 0.002 0.000 0.371 578 F C -0.187 175.605 175.800 -0.014 0.000 1.087 578 F CA -0.203 57.795 58.000 -0.003 0.000 1.250 578 F CB 0.656 39.647 39.000 -0.014 0.000 1.110 578 F HN -0.354 nan 8.300 nan 0.000 0.570 579 V N 7.715 127.080 119.914 -0.914 0.000 2.409 579 V HA 0.363 4.484 4.120 0.002 0.000 0.290 579 V C 0.048 175.552 176.094 -0.983 0.000 1.017 579 V CA -0.967 60.906 62.300 -0.712 0.000 0.841 579 V CB 1.454 33.086 31.823 -0.318 0.000 1.003 579 V HN 0.666 nan 8.190 nan 0.000 0.426 580 R N 3.180 123.203 120.500 -0.796 0.000 2.537 580 R HA 0.241 4.582 4.340 0.002 0.000 0.280 580 R C 0.074 176.265 176.300 -0.182 0.000 1.058 580 R CA 0.266 56.054 56.100 -0.520 0.000 1.057 580 R CB 0.119 30.275 30.300 -0.241 0.000 0.973 580 R HN 0.759 nan 8.270 nan 0.000 0.438 581 Y N -0.516 119.699 120.300 -0.142 0.000 4.936 581 Y HA -0.348 4.204 4.550 0.003 0.000 0.260 581 Y C 1.421 177.340 175.900 0.032 0.000 0.928 581 Y CA 0.728 58.831 58.100 0.006 0.000 1.869 581 Y CB -1.949 36.535 38.460 0.040 0.000 1.344 581 Y HN 0.818 nan 8.280 nan 0.000 0.521 582 A N 0.236 123.068 122.820 0.020 0.000 1.908 582 A HA -0.224 4.097 4.320 0.002 0.000 0.218 582 A C 2.258 179.876 177.584 0.058 0.000 1.181 582 A CA 2.568 54.610 52.037 0.009 0.000 0.627 582 A CB -0.895 18.061 19.000 -0.072 0.000 0.818 582 A HN 0.793 nan 8.150 nan 0.000 0.445 583 S N -1.133 114.613 115.700 0.077 0.000 2.383 583 S HA -0.147 4.325 4.470 0.002 0.000 0.227 583 S C 1.817 176.515 174.600 0.164 0.000 1.026 583 S CA 1.294 59.554 58.200 0.100 0.000 0.981 583 S CB -0.758 62.495 63.200 0.088 0.000 0.818 583 S HN 0.581 nan 8.310 nan 0.000 0.472 584 F N 2.908 122.915 119.950 0.094 0.000 2.171 584 F HA 0.079 4.607 4.527 0.002 0.000 0.300 584 F C 2.570 178.474 175.800 0.174 0.000 1.090 584 F CA 1.416 59.510 58.000 0.156 0.000 1.293 584 F CB -0.344 38.804 39.000 0.247 0.000 1.013 584 F HN 0.102 nan 8.300 nan 0.000 0.486 585 R N 0.178 120.653 120.500 -0.041 0.000 2.153 585 R HA -0.109 4.232 4.340 0.002 0.000 0.218 585 R C 2.256 178.545 176.300 -0.018 0.000 1.072 585 R CA 1.221 57.193 56.100 -0.213 0.000 0.990 585 R CB -0.277 29.939 30.300 -0.140 0.000 0.889 585 R HN 0.467 nan 8.270 nan 0.000 0.452 586 E N -0.226 119.985 120.200 0.018 0.000 2.046 586 E HA -0.131 4.221 4.350 0.002 0.000 0.190 586 E C -0.341 176.277 176.600 0.030 0.000 0.982 586 E CA 0.893 57.313 56.400 0.032 0.000 0.800 586 E CB 0.361 30.080 29.700 0.031 0.000 0.756 586 E HN 0.044 nan 8.360 nan 0.000 0.449 587 D N -1.264 119.150 120.400 0.024 0.000 2.337 587 D HA 0.095 4.736 4.640 0.002 0.000 0.238 587 D C -2.164 174.142 176.300 0.010 0.000 1.331 587 D CA -1.657 52.347 54.000 0.008 0.000 0.967 587 D CB 1.572 42.382 40.800 0.018 0.000 1.382 587 D HN -0.082 nan 8.370 nan 0.000 0.549 588 P HA -0.077 nan 4.420 nan 0.000 0.217 588 P C 1.808 179.143 177.300 0.059 0.000 1.150 588 P CA 0.474 63.555 63.100 -0.033 0.000 0.832 588 P CB 0.740 32.308 31.700 -0.220 0.000 0.787 589 L N -1.247 119.978 121.223 0.004 0.000 2.093 589 L HA -0.073 4.268 4.340 0.002 0.000 0.208 589 L C 2.515 179.409 176.870 0.041 0.000 1.085 589 L CA 0.969 55.821 54.840 0.021 0.000 0.755 589 L CB -0.856 41.199 42.059 -0.007 0.000 0.904 589 L HN -0.019 nan 8.230 nan 0.000 0.435 590 L N -0.505 120.742 121.223 0.041 0.000 2.375 590 L HA 0.070 4.411 4.340 0.002 0.000 0.215 590 L C 0.466 177.380 176.870 0.074 0.000 1.108 590 L CA 1.058 55.926 54.840 0.047 0.000 0.830 590 L CB -0.429 41.651 42.059 0.035 0.000 0.959 590 L HN 0.351 nan 8.230 nan 0.000 0.457 591 N N 0.652 119.420 118.700 0.114 0.000 2.765 591 N HA 0.235 4.976 4.740 0.002 0.000 0.277 591 N C -2.506 173.167 175.510 0.271 0.000 1.750 591 N CA -0.844 52.302 53.050 0.160 0.000 0.827 591 N CB 1.622 40.209 38.487 0.166 0.000 1.200 591 N HN 0.129 nan 8.380 nan 0.000 0.494 592 P HA 0.221 nan 4.420 nan 0.000 0.276 592 P C 0.381 177.771 177.300 0.150 0.000 1.252 592 P CA -0.369 62.886 63.100 0.257 0.000 0.802 592 P CB 1.600 33.392 31.700 0.154 0.000 1.035 593 L N 0.294 121.558 121.223 0.068 0.000 2.475 593 L HA 0.295 4.636 4.340 0.002 0.000 0.253 593 L C 2.047 178.908 176.870 -0.015 0.000 1.198 593 L CA -0.233 54.568 54.840 -0.066 0.000 0.814 593 L CB -0.107 41.836 42.059 -0.193 0.000 1.134 593 L HN 0.513 nan 8.230 nan 0.000 0.478 594 G N -0.335 108.445 108.800 -0.034 0.000 3.279 594 G HA2 0.028 3.989 3.960 0.002 0.000 0.230 594 G HA3 0.028 3.989 3.960 0.002 0.000 0.230 594 G C 0.578 175.456 174.900 -0.037 0.000 1.230 594 G CA 0.036 45.117 45.100 -0.032 0.000 0.891 594 G HN 0.668 nan 8.290 nan 0.000 0.518 595 T N -2.820 111.720 114.554 -0.023 0.000 2.881 595 T HA 0.443 4.794 4.350 0.002 0.000 0.278 595 T C -1.332 173.374 174.700 0.009 0.000 0.982 595 T CA -1.550 60.543 62.100 -0.013 0.000 0.989 595 T CB 1.965 70.836 68.868 0.004 0.000 1.058 595 T HN -0.163 nan 8.240 nan 0.000 0.529 596 P HA -0.096 nan 4.420 nan 0.000 0.215 596 P C 1.722 179.044 177.300 0.037 0.000 1.153 596 P CA 1.534 64.649 63.100 0.025 0.000 0.853 596 P CB -0.263 31.456 31.700 0.033 0.000 0.788 597 T N -5.747 108.838 114.554 0.051 0.000 3.067 597 T HA 0.271 4.622 4.350 0.002 0.000 0.257 597 T C 1.623 176.364 174.700 0.068 0.000 1.105 597 T CA 0.735 62.871 62.100 0.060 0.000 1.104 597 T CB -0.756 68.159 68.868 0.077 0.000 0.925 597 T HN 0.252 nan 8.240 nan 0.000 0.498 598 G N 0.896 109.737 108.800 0.069 0.000 2.176 598 G HA2 -0.168 3.793 3.960 0.002 0.000 0.253 598 G HA3 -0.168 3.793 3.960 0.002 0.000 0.253 598 G C -0.117 174.874 174.900 0.151 0.000 0.979 598 G CA 0.292 45.447 45.100 0.092 0.000 0.641 598 G HN 0.621 nan 8.290 nan 0.000 0.530 599 L N -0.431 120.874 121.223 0.137 0.000 2.235 599 L HA 0.667 5.009 4.340 0.002 0.000 0.260 599 L C 0.748 177.689 176.870 0.119 0.000 1.025 599 L CA -1.597 53.364 54.840 0.202 0.000 0.836 599 L CB 1.395 43.565 42.059 0.186 0.000 1.395 599 L HN -0.031 nan 8.230 nan 0.000 0.443 600 I N 1.102 121.768 120.570 0.161 0.000 2.436 600 I HA 0.030 4.202 4.170 0.002 0.000 0.289 600 I C 0.035 176.245 176.117 0.155 0.000 1.083 600 I CA 0.207 61.579 61.300 0.120 0.000 1.372 600 I CB 0.251 38.349 38.000 0.164 0.000 1.408 600 I HN 0.451 nan 8.210 nan 0.000 0.516 601 E N 7.190 127.475 120.200 0.141 0.000 1.993 601 E HA 0.202 4.554 4.350 0.002 0.000 0.271 601 E C 0.746 177.541 176.600 0.325 0.000 1.008 601 E CA -0.168 56.352 56.400 0.200 0.000 0.814 601 E CB 1.117 30.906 29.700 0.149 0.000 1.098 601 E HN 0.640 nan 8.360 nan 0.000 0.407 602 I N 1.990 122.745 120.570 0.307 0.000 2.617 602 I HA -0.144 4.027 4.170 0.002 0.000 0.256 602 I C 0.446 176.730 176.117 0.278 0.000 1.167 602 I CA 0.839 62.292 61.300 0.255 0.000 1.469 602 I CB 0.183 38.275 38.000 0.153 0.000 1.098 602 I HN 0.426 nan 8.210 nan 0.000 0.436 603 Y N 0.441 120.876 120.300 0.224 0.000 2.361 603 Y HA 0.451 5.002 4.550 0.002 0.000 0.337 603 Y C -0.285 175.759 175.900 0.240 0.000 0.965 603 Y CA -1.135 57.103 58.100 0.232 0.000 1.091 603 Y CB 1.685 40.239 38.460 0.155 0.000 1.182 603 Y HN -0.255 nan 8.280 nan 0.000 0.450 604 S N 5.799 121.448 115.700 -0.085 0.000 2.474 604 S HA 0.347 4.819 4.470 0.002 0.000 0.321 604 S C 0.532 175.100 174.600 -0.054 0.000 1.080 604 S CA -0.638 57.568 58.200 0.009 0.000 1.106 604 S CB 0.843 64.018 63.200 -0.041 0.000 0.984 604 S HN 0.945 nan 8.310 nan 0.000 0.464 605 K N 3.667 124.135 120.400 0.113 0.000 2.057 605 K HA -0.053 4.268 4.320 0.002 0.000 0.206 605 K C 1.752 178.350 176.600 -0.003 0.000 1.050 605 K CA 1.470 57.826 56.287 0.115 0.000 0.935 605 K CB -0.161 32.418 32.500 0.132 0.000 0.715 605 K HN 0.673 nan 8.250 nan 0.000 0.439 606 N N 0.598 119.278 118.700 -0.032 0.000 2.149 606 N HA -0.158 4.583 4.740 0.002 0.000 0.188 606 N C 1.774 177.167 175.510 -0.195 0.000 1.019 606 N CA 0.996 53.994 53.050 -0.087 0.000 0.857 606 N CB -0.054 38.408 38.487 -0.042 0.000 0.997 606 N HN 0.114 nan 8.380 nan 0.000 0.426 607 I N 0.814 121.231 120.570 -0.255 0.000 2.406 607 I HA -0.177 3.995 4.170 0.002 0.000 0.249 607 I C 2.484 178.459 176.117 -0.237 0.000 1.122 607 I CA 0.730 61.844 61.300 -0.309 0.000 1.431 607 I CB -0.181 37.635 38.000 -0.306 0.000 1.087 607 I HN 0.217 nan 8.210 nan 0.000 0.424 608 E N 1.751 121.843 120.200 -0.181 0.000 2.070 608 E HA -0.297 4.054 4.350 0.002 0.000 0.197 608 E C 2.036 178.564 176.600 -0.120 0.000 1.004 608 E CA 1.623 57.950 56.400 -0.122 0.000 0.805 608 E CB 0.075 29.773 29.700 -0.005 0.000 0.744 608 E HN 0.400 nan 8.360 nan 0.000 0.451 609 K N -0.297 120.030 120.400 -0.122 0.000 2.209 609 K HA -0.094 4.227 4.320 0.002 0.000 0.204 609 K C 2.148 178.621 176.600 -0.211 0.000 1.048 609 K CA 1.365 57.575 56.287 -0.128 0.000 0.940 609 K CB -0.061 32.379 32.500 -0.100 0.000 0.729 609 K HN 0.236 nan 8.250 nan 0.000 0.451 610 M N -0.358 119.043 119.600 -0.333 0.000 2.229 610 M HA -0.027 4.454 4.480 0.002 0.000 0.264 610 M C 0.932 176.897 176.300 -0.558 0.000 1.063 610 M CA 1.178 56.127 55.300 -0.585 0.000 1.114 610 M CB -0.148 31.870 32.600 -0.971 0.000 1.387 610 M HN 0.361 nan 8.290 nan 0.000 0.420 611 G N 0.961 109.557 108.800 -0.340 0.000 2.350 611 G HA2 -0.250 3.711 3.960 0.002 0.000 0.298 611 G HA3 -0.250 3.711 3.960 0.002 0.000 0.298 611 G C -0.849 174.021 174.900 -0.050 0.000 1.037 611 G CA -0.245 44.759 45.100 -0.160 0.000 1.074 611 G HN 0.364 nan 8.290 nan 0.000 0.511 612 Y N 0.625 120.896 120.300 -0.049 0.000 2.341 612 Y HA 0.295 4.847 4.550 0.002 0.000 0.340 612 Y C 1.624 177.503 175.900 -0.035 0.000 0.997 612 Y CA -1.548 56.532 58.100 -0.032 0.000 1.149 612 Y CB 1.238 39.680 38.460 -0.029 0.000 1.171 612 Y HN 0.380 nan 8.280 nan 0.000 0.494 613 D N 0.251 120.732 120.400 0.135 0.000 2.218 613 D HA -0.193 4.449 4.640 0.002 0.000 0.204 613 D C 0.474 176.792 176.300 0.029 0.000 0.976 613 D CA 1.366 55.399 54.000 0.054 0.000 0.853 613 D CB -0.227 40.600 40.800 0.045 0.000 0.939 613 D HN 0.604 nan 8.370 nan 0.000 0.481 614 D N -0.903 119.533 120.400 0.059 0.000 2.342 614 D HA 0.074 4.716 4.640 0.002 0.000 0.221 614 D C -0.186 176.144 176.300 0.049 0.000 1.101 614 D CA -0.637 53.394 54.000 0.052 0.000 0.837 614 D CB -0.618 40.254 40.800 0.120 0.000 0.938 614 D HN 0.190 nan 8.370 nan 0.000 0.508 615 C N 1.671 121.006 119.300 0.058 0.000 3.296 615 C HA 0.426 4.888 4.460 0.002 0.000 0.317 615 C C -2.702 172.299 174.990 0.018 0.000 1.040 615 C CA -1.479 57.578 59.018 0.065 0.000 1.352 615 C CB -0.303 27.517 27.740 0.133 0.000 1.797 615 C HN 0.059 nan 8.230 nan 0.000 0.552 616 P HA 0.267 nan 4.420 nan 0.000 0.275 616 P C 0.520 177.706 177.300 -0.190 0.000 1.266 616 P CA 0.049 63.026 63.100 -0.204 0.000 0.793 616 P CB 0.716 32.180 31.700 -0.392 0.000 1.074 617 A N 0.051 122.678 122.820 -0.323 0.000 2.209 617 A HA -0.019 4.302 4.320 0.002 0.000 0.212 617 A C 0.583 177.888 177.584 -0.466 0.000 1.158 617 A CA 1.283 53.073 52.037 -0.412 0.000 0.742 617 A CB -1.355 17.192 19.000 -0.754 0.000 0.790 617 A HN 0.829 nan 8.150 nan 0.000 0.472 618 H N -4.693 114.044 119.070 -0.554 0.000 3.037 618 H HA 0.615 5.173 4.556 0.002 0.000 0.355 618 H C -3.620 171.026 175.328 -1.137 0.000 1.263 618 H CA -2.962 52.580 56.048 -0.844 0.000 1.129 618 H CB -0.080 29.517 29.762 -0.275 0.000 1.861 618 H HN -0.182 nan 8.280 nan 0.000 0.546 619 P HA 0.162 nan 4.420 nan 0.000 0.262 619 P C -0.690 176.506 177.300 -0.173 0.000 1.182 619 P CA 0.360 63.025 63.100 -0.725 0.000 0.761 619 P CB 0.450 31.729 31.700 -0.701 0.000 0.795 620 T N 3.402 117.837 114.554 -0.199 0.000 2.993 620 T HA 0.229 4.580 4.350 0.002 0.000 0.312 620 T C -1.390 173.357 174.700 0.078 0.000 1.115 620 T CA -0.540 61.467 62.100 -0.155 0.000 1.027 620 T CB 1.066 69.684 68.868 -0.416 0.000 1.116 620 T HN 0.415 nan 8.240 nan 0.000 0.464 621 W N 6.173 127.568 121.300 0.159 0.000 2.345 621 W HA 0.596 5.257 4.660 0.002 0.000 0.308 621 W C -1.610 174.953 176.519 0.073 0.000 1.273 621 W CA -0.577 56.876 57.345 0.180 0.000 1.243 621 W CB 0.263 29.961 29.460 0.396 0.000 1.260 621 W HN 0.565 nan 8.180 nan 0.000 0.509 622 M N 4.830 123.892 119.600 -0.897 0.000 2.464 622 M HA 0.151 4.633 4.480 0.002 0.000 0.308 622 M C 0.001 175.671 176.300 -1.050 0.000 1.127 622 M CA -0.815 53.965 55.300 -0.866 0.000 0.913 622 M CB 2.300 34.320 32.600 -0.967 0.000 1.689 622 M HN 0.231 nan 8.290 nan 0.000 0.445 623 E N 3.821 123.688 120.200 -0.554 0.000 2.376 623 E HA 0.231 4.582 4.350 0.002 0.000 0.266 623 E C -2.236 174.337 176.600 -0.045 0.000 1.009 623 E CA -1.239 54.997 56.400 -0.274 0.000 0.902 623 E CB 0.307 29.999 29.700 -0.013 0.000 0.972 623 E HN 0.295 nan 8.360 nan 0.000 0.439 624 P HA 0.018 nan 4.420 nan 0.000 0.274 624 P C 1.082 178.511 177.300 0.214 0.000 1.256 624 P CA -0.538 62.655 63.100 0.155 0.000 0.795 624 P CB 0.728 32.501 31.700 0.122 0.000 1.038 625 L N -0.225 121.173 121.223 0.292 0.000 2.034 625 L HA -0.172 4.169 4.340 0.002 0.000 0.217 625 L C 0.766 177.684 176.870 0.081 0.000 1.077 625 L CA 2.085 56.981 54.840 0.094 0.000 0.769 625 L CB -0.705 41.293 42.059 -0.101 0.000 0.890 625 L HN 0.679 nan 8.230 nan 0.000 0.435 626 E N -1.247 119.010 120.200 0.096 0.000 2.363 626 E HA 0.518 4.869 4.350 0.002 0.000 0.281 626 E C -1.006 175.679 176.600 0.142 0.000 0.953 626 E CA -0.984 55.479 56.400 0.106 0.000 0.778 626 E CB 1.429 31.183 29.700 0.090 0.000 1.220 626 E HN 0.404 nan 8.360 nan 0.000 0.431 627 R N 1.454 122.046 120.500 0.153 0.000 2.680 627 R HA 0.462 4.803 4.340 0.002 0.000 0.269 627 R C -1.331 175.065 176.300 0.160 0.000 1.026 627 R CA -1.156 55.055 56.100 0.185 0.000 0.889 627 R CB 0.961 31.373 30.300 0.185 0.000 1.241 627 R HN 0.481 nan 8.270 nan 0.000 0.463 628 L N 3.104 124.427 121.223 0.166 0.000 2.601 628 L HA 0.062 4.403 4.340 0.002 0.000 0.277 628 L C -0.333 176.583 176.870 0.077 0.000 1.219 628 L CA 1.410 56.321 54.840 0.118 0.000 0.915 628 L CB -0.420 41.693 42.059 0.090 0.000 1.160 628 L HN 0.837 nan 8.230 nan 0.000 0.494 629 D N 2.467 122.903 120.400 0.061 0.000 2.983 629 D HA -0.172 4.469 4.640 0.002 0.000 0.225 629 D C 0.475 176.806 176.300 0.052 0.000 1.174 629 D CA 1.244 55.268 54.000 0.039 0.000 0.831 629 D CB -1.368 39.441 40.800 0.014 0.000 1.104 629 D HN 0.884 nan 8.370 nan 0.000 0.421 630 G N 0.272 109.118 108.800 0.077 0.000 2.537 630 G HA2 0.513 4.475 3.960 0.002 0.000 0.273 630 G HA3 0.513 4.475 3.960 0.002 0.000 0.273 630 G C -2.316 172.629 174.900 0.075 0.000 1.189 630 G CA -0.962 44.195 45.100 0.095 0.000 0.881 630 G HN -0.066 nan 8.290 nan 0.000 0.535 631 P HA 0.149 nan 4.420 nan 0.000 0.265 631 P C 0.828 178.161 177.300 0.056 0.000 1.222 631 P CA 1.097 64.236 63.100 0.066 0.000 0.767 631 P CB 0.754 32.502 31.700 0.080 0.000 0.801 632 G N 2.661 111.484 108.800 0.038 0.000 2.153 632 G HA2 -0.194 3.767 3.960 0.002 0.000 0.252 632 G HA3 -0.194 3.767 3.960 0.002 0.000 0.252 632 G C 0.435 175.348 174.900 0.021 0.000 0.994 632 G CA 0.003 45.117 45.100 0.025 0.000 0.698 632 G HN 0.888 nan 8.290 nan 0.000 0.521 633 A N -0.284 122.554 122.820 0.031 0.000 2.524 633 A HA 0.562 4.884 4.320 0.002 0.000 0.250 633 A C 1.311 178.887 177.584 -0.013 0.000 1.078 633 A CA 1.365 53.423 52.037 0.036 0.000 0.761 633 A CB 0.365 19.400 19.000 0.060 0.000 1.012 633 A HN 0.551 nan 8.150 nan 0.000 0.500 634 K N 1.583 121.956 120.400 -0.044 0.000 2.186 634 K HA 0.035 4.356 4.320 0.002 0.000 0.202 634 K C -0.654 175.703 176.600 -0.405 0.000 1.052 634 K CA 0.869 57.020 56.287 -0.226 0.000 0.965 634 K CB -0.011 32.316 32.500 -0.287 0.000 0.746 634 K HN 0.746 nan 8.250 nan 0.000 0.457 635 Y N -0.302 120.000 120.300 0.002 0.000 2.549 635 Y HA 0.244 4.795 4.550 0.002 0.000 0.339 635 Y C -1.699 174.198 175.900 -0.005 0.000 1.053 635 Y CA -2.360 55.730 58.100 -0.016 0.000 1.105 635 Y CB 1.598 40.032 38.460 -0.043 0.000 1.258 635 Y HN -0.052 nan 8.280 nan 0.000 0.478 636 P HA 0.100 nan 4.420 nan 0.000 0.234 636 P C -0.491 176.857 177.300 0.081 0.000 1.175 636 P CA 0.919 64.071 63.100 0.087 0.000 0.801 636 P CB 1.266 33.003 31.700 0.061 0.000 0.891 637 L N -0.266 121.004 121.223 0.079 0.000 2.346 637 L HA 0.454 4.795 4.340 0.002 0.000 0.276 637 L C 0.159 177.080 176.870 0.086 0.000 1.006 637 L CA -1.175 53.707 54.840 0.070 0.000 0.817 637 L CB 1.723 43.804 42.059 0.036 0.000 1.272 637 L HN -0.085 nan 8.230 nan 0.000 0.421 638 H N 2.966 122.057 119.070 0.034 0.000 2.548 638 H HA 0.467 5.024 4.556 0.002 0.000 0.331 638 H C -0.668 174.681 175.328 0.036 0.000 1.093 638 H CA -0.242 55.832 56.048 0.042 0.000 1.367 638 H CB 0.924 30.721 29.762 0.057 0.000 1.455 638 H HN 0.399 nan 8.280 nan 0.000 0.519 639 I N 4.578 124.917 120.570 -0.386 0.000 2.307 639 I HA 0.251 4.422 4.170 0.002 0.000 0.289 639 I C 0.102 176.183 176.117 -0.061 0.000 1.021 639 I CA -0.870 60.338 61.300 -0.153 0.000 1.224 639 I CB 1.249 39.166 38.000 -0.139 0.000 1.376 639 I HN 0.695 nan 8.210 nan 0.000 0.470 640 A N 5.882 128.803 122.820 0.168 0.000 2.655 640 A HA 0.473 4.795 4.320 0.002 0.000 0.297 640 A C 0.871 178.565 177.584 0.184 0.000 1.461 640 A CA -0.280 51.904 52.037 0.246 0.000 1.146 640 A CB -0.326 18.811 19.000 0.229 0.000 1.108 640 A HN 0.846 nan 8.150 nan 0.000 0.550 641 A N 3.387 126.311 122.820 0.174 0.000 3.126 641 A HA 0.513 4.835 4.320 0.002 0.000 0.268 641 A C 0.957 178.709 177.584 0.279 0.000 1.605 641 A CA 0.202 52.347 52.037 0.180 0.000 1.305 641 A CB -0.870 18.195 19.000 0.108 0.000 1.160 641 A HN 1.146 nan 8.150 nan 0.000 0.609 642 S N 0.291 116.210 115.700 0.365 0.000 2.738 642 S HA 0.455 4.926 4.470 0.002 0.000 0.284 642 S C 0.015 174.896 174.600 0.468 0.000 1.146 642 S CA -0.668 57.798 58.200 0.444 0.000 0.997 642 S CB 0.224 63.667 63.200 0.404 0.000 1.081 642 S HN 0.617 nan 8.310 nan 0.000 0.553 643 H N 2.187 121.343 119.070 0.144 0.000 2.848 643 H HA 0.235 4.792 4.556 0.002 0.000 0.341 643 H C -2.078 173.012 175.328 -0.396 0.000 1.060 643 H CA -1.275 54.757 56.048 -0.027 0.000 1.444 643 H CB 0.390 30.154 29.762 0.002 0.000 1.446 643 H HN 0.495 nan 8.280 nan 0.000 0.583 644 P HA -0.077 nan 4.420 nan 0.000 0.275 644 P C 0.236 177.189 177.300 -0.577 0.000 1.227 644 P CA 0.067 62.629 63.100 -0.896 0.000 0.781 644 P CB 0.806 32.301 31.700 -0.341 0.000 0.906 645 F N 2.604 122.152 119.950 -0.670 0.000 2.163 645 F HA -0.019 4.510 4.527 0.002 0.000 0.297 645 F C 1.580 177.326 175.800 -0.090 0.000 1.094 645 F CA 1.453 59.318 58.000 -0.225 0.000 1.290 645 F CB 0.106 39.081 39.000 -0.041 0.000 1.017 645 F HN 0.263 nan 8.300 nan 0.000 0.483 646 N N 0.618 119.397 118.700 0.131 0.000 2.321 646 N HA 0.181 4.923 4.740 0.002 0.000 0.242 646 N C -0.591 174.992 175.510 0.122 0.000 1.141 646 N CA 0.141 53.288 53.050 0.162 0.000 0.864 646 N CB 0.525 39.158 38.487 0.244 0.000 1.100 646 N HN 0.248 nan 8.380 nan 0.000 0.510 647 R N -0.035 120.501 120.500 0.061 0.000 2.781 647 R HA 0.402 4.743 4.340 0.002 0.000 0.269 647 R C -1.326 175.020 176.300 0.076 0.000 1.025 647 R CA -0.907 55.267 56.100 0.124 0.000 0.914 647 R CB 1.544 31.895 30.300 0.085 0.000 1.236 647 R HN -0.081 nan 8.270 nan 0.000 0.465 648 L N 2.680 123.983 121.223 0.134 0.000 2.335 648 L HA 0.331 4.673 4.340 0.002 0.000 0.268 648 L C 0.107 176.870 176.870 -0.178 0.000 1.037 648 L CA 0.358 55.081 54.840 -0.194 0.000 0.895 648 L CB -0.480 41.433 42.059 -0.242 0.000 1.266 648 L HN 0.669 nan 8.230 nan 0.000 0.439 649 H N 1.564 120.571 119.070 -0.105 0.000 1.452 649 H HA -0.289 4.268 4.556 0.002 0.000 0.090 649 H C 1.422 176.812 175.328 0.104 0.000 0.629 649 H CA 1.772 57.781 56.048 -0.066 0.000 1.901 649 H CB -1.656 28.060 29.762 -0.077 0.000 2.257 649 H HN 0.661 nan 8.280 nan 0.000 0.961 650 S N 2.759 118.683 115.700 0.373 0.000 2.528 650 S HA 0.061 4.532 4.470 0.002 0.000 0.219 650 S C 0.655 175.550 174.600 0.491 0.000 0.985 650 S CA 0.340 58.823 58.200 0.471 0.000 0.914 650 S CB 0.195 63.742 63.200 0.578 0.000 0.776 650 S HN 0.422 nan 8.310 nan 0.000 0.526 651 Q N 1.034 121.082 119.800 0.413 0.000 2.361 651 Q HA 0.326 4.668 4.340 0.002 0.000 0.276 651 Q C 0.305 176.513 176.000 0.346 0.000 1.022 651 Q CA 0.617 56.685 55.803 0.442 0.000 0.898 651 Q CB 0.300 29.368 28.738 0.550 0.000 1.246 651 Q HN 0.508 nan 8.270 nan 0.000 0.410 652 L N 0.192 121.576 121.223 0.269 0.000 4.950 652 L HA -0.334 4.008 4.340 0.002 0.000 0.413 652 L C 1.225 178.070 176.870 -0.042 0.000 1.020 652 L CA 0.193 55.095 54.840 0.103 0.000 1.239 652 L CB -1.472 40.628 42.059 0.068 0.000 2.004 652 L HN 0.640 nan 8.230 nan 0.000 0.658 653 N N 1.708 120.300 118.700 -0.180 0.000 2.166 653 N HA -0.059 4.682 4.740 0.002 0.000 0.186 653 N C 1.440 176.501 175.510 -0.749 0.000 1.019 653 N CA 1.783 54.539 53.050 -0.490 0.000 0.856 653 N CB -0.047 37.890 38.487 -0.917 0.000 0.993 653 N HN 0.503 nan 8.380 nan 0.000 0.426 654 G N -0.069 108.260 108.800 -0.784 0.000 3.709 654 G HA2 0.253 4.214 3.960 0.002 0.000 0.272 654 G HA3 0.253 4.214 3.960 0.002 0.000 0.272 654 G C -0.176 174.623 174.900 -0.168 0.000 1.259 654 G CA 0.216 45.061 45.100 -0.424 0.000 1.512 654 G HN 0.422 nan 8.290 nan 0.000 0.625 655 T N -3.953 110.461 114.554 -0.233 0.000 2.804 655 T HA 0.361 4.712 4.350 0.002 0.000 0.290 655 T C 1.384 175.962 174.700 -0.204 0.000 1.099 655 T CA 0.125 62.135 62.100 -0.149 0.000 1.011 655 T CB 1.321 70.123 68.868 -0.110 0.000 1.291 655 T HN 0.370 nan 8.240 nan 0.000 0.523 656 V N 0.032 119.850 119.914 -0.160 0.000 2.867 656 V HA 0.002 4.123 4.120 0.002 0.000 0.260 656 V C 2.341 178.322 176.094 -0.188 0.000 1.099 656 V CA 1.202 63.401 62.300 -0.169 0.000 1.122 656 V CB -1.658 30.086 31.823 -0.132 0.000 0.708 656 V HN 0.771 nan 8.190 nan 0.000 0.490 657 L N -0.099 121.023 121.223 -0.169 0.000 2.191 657 L HA -0.131 4.210 4.340 0.002 0.000 0.212 657 L C 2.918 179.596 176.870 -0.320 0.000 1.103 657 L CA 2.005 56.763 54.840 -0.136 0.000 0.769 657 L CB -0.708 41.346 42.059 -0.009 0.000 0.908 657 L HN 0.307 nan 8.230 nan 0.000 0.438 658 R N 0.925 121.138 120.500 -0.478 0.000 2.105 658 R HA -0.264 4.078 4.340 0.002 0.000 0.239 658 R C 2.163 177.990 176.300 -0.788 0.000 1.135 658 R CA 1.983 57.558 56.100 -0.876 0.000 0.967 658 R CB -0.112 29.775 30.300 -0.688 0.000 0.861 658 R HN 0.374 nan 8.270 nan 0.000 0.442 659 E N -0.760 119.168 120.200 -0.453 0.000 2.265 659 E HA -0.114 4.237 4.350 0.002 0.000 0.196 659 E C 1.574 178.027 176.600 -0.245 0.000 0.996 659 E CA 1.464 57.685 56.400 -0.297 0.000 0.832 659 E CB -0.246 29.329 29.700 -0.208 0.000 0.756 659 E HN 0.502 nan 8.360 nan 0.000 0.491 660 G N -0.583 108.061 108.800 -0.260 0.000 2.511 660 G HA2 -0.179 3.783 3.960 0.002 0.000 0.217 660 G HA3 -0.179 3.783 3.960 0.002 0.000 0.217 660 G C 1.003 175.884 174.900 -0.032 0.000 1.133 660 G CA 0.842 45.875 45.100 -0.111 0.000 0.792 660 G HN 0.523 nan 8.290 nan 0.000 0.539 661 Y N -1.466 118.836 120.300 0.003 0.000 2.432 661 Y HA 0.718 5.270 4.550 0.002 0.000 0.252 661 Y C 1.175 177.092 175.900 0.028 0.000 1.097 661 Y CA -1.114 57.002 58.100 0.027 0.000 1.250 661 Y CB -0.478 38.024 38.460 0.071 0.000 1.245 661 Y HN 0.145 nan 8.280 nan 0.000 0.522 662 A N 1.566 124.322 122.820 -0.106 0.000 2.462 662 A HA 0.501 4.822 4.320 0.002 0.000 0.243 662 A C -0.413 177.194 177.584 0.039 0.000 1.076 662 A CA -0.128 51.914 52.037 0.009 0.000 0.773 662 A CB 0.192 19.136 19.000 -0.094 0.000 1.010 662 A HN 0.212 nan 8.150 nan 0.000 0.493 663 V N 3.853 123.814 119.914 0.078 0.000 2.326 663 V HA 0.269 4.391 4.120 0.002 0.000 0.281 663 V C 0.140 176.310 176.094 0.126 0.000 1.015 663 V CA -0.246 62.101 62.300 0.079 0.000 0.823 663 V CB 0.399 32.266 31.823 0.073 0.000 1.009 663 V HN 1.071 nan 8.190 nan 0.000 0.436 664 Q N 3.496 123.350 119.800 0.090 0.000 2.481 664 Q HA -0.290 4.051 4.340 0.002 0.000 0.272 664 Q C 1.288 177.301 176.000 0.023 0.000 1.157 664 Q CA 0.870 56.734 55.803 0.103 0.000 0.935 664 Q CB -1.463 27.382 28.738 0.179 0.000 1.338 664 Q HN 1.551 nan 8.270 nan 0.000 0.494 665 G N -1.206 107.568 108.800 -0.042 0.000 2.253 665 G HA2 -0.292 3.670 3.960 0.002 0.000 0.251 665 G HA3 -0.292 3.670 3.960 0.002 0.000 0.251 665 G C 0.105 174.914 174.900 -0.151 0.000 0.998 665 G CA 0.476 45.499 45.100 -0.128 0.000 0.621 665 G HN 0.568 nan 8.290 nan 0.000 0.524 666 H N 0.532 119.624 119.070 0.036 0.000 2.517 666 H HA 0.561 5.118 4.556 0.002 0.000 0.346 666 H C 0.360 175.527 175.328 -0.269 0.000 1.222 666 H CA -0.224 55.729 56.048 -0.158 0.000 1.314 666 H CB 1.243 30.912 29.762 -0.156 0.000 1.609 666 H HN 0.273 nan 8.280 nan 0.000 0.571 667 E N 2.398 122.259 120.200 -0.565 0.000 2.392 667 E HA 0.101 4.453 4.350 0.002 0.000 0.264 667 E C -2.347 174.237 176.600 -0.026 0.000 1.024 667 E CA -1.542 54.730 56.400 -0.213 0.000 0.903 667 E CB 0.259 29.784 29.700 -0.292 0.000 0.963 667 E HN 0.242 nan 8.360 nan 0.000 0.432 668 P HA 0.068 nan 4.420 nan 0.000 0.274 668 P C -0.769 176.509 177.300 -0.037 0.000 1.231 668 P CA -0.453 62.663 63.100 0.027 0.000 0.790 668 P CB 0.848 32.581 31.700 0.056 0.000 0.951 669 C N 4.699 123.975 119.300 -0.040 0.000 2.346 669 C HA 0.496 4.957 4.460 0.002 0.000 0.326 669 C C -0.365 174.597 174.990 -0.047 0.000 1.224 669 C CA -0.742 58.243 59.018 -0.055 0.000 1.408 669 C CB -0.844 26.872 27.740 -0.040 0.000 2.089 669 C HN 0.427 nan 8.230 nan 0.000 0.456 670 L N 6.570 127.754 121.223 -0.065 0.000 2.290 670 L HA 0.539 4.880 4.340 0.002 0.000 0.284 670 L C 0.127 176.997 176.870 0.000 0.000 1.078 670 L CA 0.172 54.990 54.840 -0.037 0.000 0.815 670 L CB 1.227 43.256 42.059 -0.051 0.000 1.162 670 L HN 0.698 nan 8.230 nan 0.000 0.435 671 M N 3.069 122.680 119.600 0.018 0.000 2.446 671 M HA 0.346 4.827 4.480 0.002 0.000 0.294 671 M C -0.685 175.663 176.300 0.080 0.000 1.158 671 M CA -0.657 54.675 55.300 0.053 0.000 0.899 671 M CB 2.376 34.999 32.600 0.038 0.000 1.687 671 M HN 0.551 nan 8.290 nan 0.000 0.455 672 H N 4.708 123.786 119.070 0.015 0.000 2.707 672 H HA 0.219 4.776 4.556 0.002 0.000 0.359 672 H C -2.040 173.296 175.328 0.014 0.000 1.113 672 H CA -0.657 55.401 56.048 0.016 0.000 1.422 672 H CB 1.423 31.196 29.762 0.019 0.000 1.443 672 H HN 0.453 nan 8.280 nan 0.000 0.591 673 P HA -0.143 nan 4.420 nan 0.000 0.217 673 P C 0.734 178.096 177.300 0.103 0.000 1.148 673 P CA 1.201 64.269 63.100 -0.055 0.000 0.828 673 P CB 0.428 32.038 31.700 -0.150 0.000 0.783 674 D N -0.770 119.831 120.400 0.335 0.000 2.149 674 D HA -0.108 4.534 4.640 0.002 0.000 0.201 674 D C 1.604 177.988 176.300 0.140 0.000 0.972 674 D CA 0.957 55.092 54.000 0.224 0.000 0.835 674 D CB -0.650 40.278 40.800 0.213 0.000 0.966 674 D HN 0.150 nan 8.370 nan 0.000 0.476 675 D N 0.452 120.948 120.400 0.159 0.000 2.144 675 D HA -0.050 4.591 4.640 0.002 0.000 0.200 675 D C 1.975 178.319 176.300 0.073 0.000 0.978 675 D CA 0.917 54.969 54.000 0.087 0.000 0.833 675 D CB -0.059 40.788 40.800 0.078 0.000 0.961 675 D HN 0.117 nan 8.370 nan 0.000 0.470 676 A N 1.290 124.156 122.820 0.078 0.000 1.898 676 A HA -0.008 4.313 4.320 0.002 0.000 0.216 676 A C 2.339 179.949 177.584 0.044 0.000 1.181 676 A CA 1.956 54.024 52.037 0.052 0.000 0.620 676 A CB -0.620 18.404 19.000 0.039 0.000 0.819 676 A HN 0.223 nan 8.150 nan 0.000 0.442 677 A N -0.145 122.703 122.820 0.047 0.000 1.972 677 A HA 0.174 4.495 4.320 0.002 0.000 0.219 677 A C 2.397 180.002 177.584 0.035 0.000 1.169 677 A CA 1.894 53.953 52.037 0.037 0.000 0.635 677 A CB -0.856 18.166 19.000 0.037 0.000 0.810 677 A HN 1.070 nan 8.150 nan 0.000 0.446 678 A N -0.519 122.325 122.820 0.039 0.000 2.067 678 A HA -0.056 4.265 4.320 0.002 0.000 0.219 678 A C 2.037 179.641 177.584 0.034 0.000 1.158 678 A CA 1.303 53.360 52.037 0.034 0.000 0.661 678 A CB -0.256 18.765 19.000 0.034 0.000 0.801 678 A HN 0.547 nan 8.150 nan 0.000 0.452 679 R N -1.702 118.820 120.500 0.037 0.000 2.397 679 R HA 0.307 4.649 4.340 0.002 0.000 0.241 679 R C 0.990 177.311 176.300 0.035 0.000 0.914 679 R CA 0.469 56.593 56.100 0.040 0.000 1.071 679 R CB 0.288 30.616 30.300 0.047 0.000 1.116 679 R HN 0.545 nan 8.270 nan 0.000 0.524 680 G N 1.807 110.625 108.800 0.030 0.000 2.176 680 G HA2 -0.274 3.687 3.960 0.002 0.000 0.252 680 G HA3 -0.274 3.687 3.960 0.002 0.000 0.252 680 G C 0.032 174.947 174.900 0.025 0.000 1.024 680 G CA -0.080 45.035 45.100 0.025 0.000 0.755 680 G HN 0.240 nan 8.290 nan 0.000 0.507 681 I N 0.699 121.286 120.570 0.028 0.000 2.385 681 I HA 0.632 4.803 4.170 0.002 0.000 0.294 681 I C 0.734 176.864 176.117 0.022 0.000 0.988 681 I CA -0.278 61.038 61.300 0.027 0.000 1.265 681 I CB 1.708 39.726 38.000 0.031 0.000 1.388 681 I HN 0.306 nan 8.210 nan 0.000 0.480 682 A N 3.858 126.690 122.820 0.019 0.000 2.354 682 A HA 0.415 4.736 4.320 0.002 0.000 0.321 682 A C -0.800 176.792 177.584 0.014 0.000 1.125 682 A CA -0.641 51.405 52.037 0.015 0.000 0.799 682 A CB 1.012 20.020 19.000 0.014 0.000 1.293 682 A HN 0.714 nan 8.150 nan 0.000 0.452 683 D N 0.079 120.484 120.400 0.009 0.000 2.520 683 D HA 0.369 5.011 4.640 0.002 0.000 0.243 683 D C 1.326 177.634 176.300 0.013 0.000 1.160 683 D CA 2.397 56.402 54.000 0.008 0.000 0.877 683 D CB 0.148 40.949 40.800 0.003 0.000 1.150 683 D HN 1.327 nan 8.370 nan 0.000 0.494 684 G N 3.128 111.939 108.800 0.017 0.000 2.194 684 G HA2 -0.234 3.728 3.960 0.002 0.000 0.236 684 G HA3 -0.234 3.728 3.960 0.002 0.000 0.236 684 G C 0.129 175.048 174.900 0.032 0.000 0.987 684 G CA -0.007 45.108 45.100 0.025 0.000 0.635 684 G HN 0.604 nan 8.290 nan 0.000 0.520 685 D N 0.359 120.776 120.400 0.028 0.000 2.362 685 D HA 0.461 5.103 4.640 0.002 0.000 0.242 685 D C 0.845 177.159 176.300 0.022 0.000 1.132 685 D CA -0.074 53.946 54.000 0.033 0.000 0.907 685 D CB 1.616 42.435 40.800 0.032 0.000 1.195 685 D HN 0.160 nan 8.370 nan 0.000 0.429 686 V N 1.942 121.873 119.914 0.027 0.000 2.530 686 V HA 0.320 4.441 4.120 0.002 0.000 0.282 686 V C 0.481 176.570 176.094 -0.009 0.000 1.048 686 V CA -0.404 61.866 62.300 -0.049 0.000 0.997 686 V CB 1.149 32.938 31.823 -0.058 0.000 0.987 686 V HN 0.375 nan 8.190 nan 0.000 0.477 687 V N 2.822 122.692 119.914 -0.073 0.000 3.001 687 V HA 0.711 4.832 4.120 0.002 0.000 0.314 687 V C -0.459 175.610 176.094 -0.042 0.000 1.099 687 V CA -1.244 61.056 62.300 -0.000 0.000 0.989 687 V CB 1.990 33.817 31.823 0.006 0.000 1.040 687 V HN 0.835 nan 8.190 nan 0.000 0.434 688 R N 1.773 122.307 120.500 0.057 0.000 2.295 688 R HA 0.741 5.082 4.340 0.002 0.000 0.324 688 R C -1.521 174.862 176.300 0.138 0.000 0.968 688 R CA -0.443 55.695 56.100 0.063 0.000 0.837 688 R CB 1.675 32.049 30.300 0.123 0.000 1.133 688 R HN 0.780 nan 8.270 nan 0.000 0.450 689 V N 5.562 125.519 119.914 0.072 0.000 2.394 689 V HA 0.402 4.523 4.120 0.002 0.000 0.282 689 V C -0.587 175.532 176.094 0.041 0.000 1.031 689 V CA -0.625 61.684 62.300 0.015 0.000 0.881 689 V CB 0.972 32.771 31.823 -0.041 0.000 0.982 689 V HN 1.009 nan 8.190 nan 0.000 0.451 690 H N 2.556 121.564 119.070 -0.104 0.000 3.017 690 H HA 0.869 5.426 4.556 0.002 0.000 0.346 690 H C -0.716 174.414 175.328 -0.329 0.000 1.286 690 H CA -0.914 55.049 56.048 -0.141 0.000 1.120 690 H CB 1.716 31.443 29.762 -0.059 0.000 1.860 690 H HN 0.582 nan 8.280 nan 0.000 0.542 691 N N -0.688 117.833 118.700 -0.299 0.000 3.522 691 N HA 0.156 4.897 4.740 0.002 0.000 0.328 691 N C -0.538 174.891 175.510 -0.135 0.000 1.623 691 N CA -0.656 51.976 53.050 -0.698 0.000 0.812 691 N CB -0.026 37.971 38.487 -0.817 0.000 2.008 691 N HN 0.543 nan 8.380 nan 0.000 0.601 692 D N -0.744 119.660 120.400 0.007 0.000 2.347 692 D HA 0.081 4.722 4.640 0.002 0.000 0.215 692 D C 1.009 177.330 176.300 0.036 0.000 0.976 692 D CA 0.658 54.724 54.000 0.110 0.000 0.884 692 D CB 0.142 41.041 40.800 0.164 0.000 0.915 692 D HN 0.404 nan 8.370 nan 0.000 0.526 693 R N -0.406 120.084 120.500 -0.017 0.000 2.237 693 R HA 0.363 4.705 4.340 0.002 0.000 0.195 693 R C 1.146 177.434 176.300 -0.020 0.000 0.956 693 R CA 0.409 56.495 56.100 -0.025 0.000 1.029 693 R CB 0.952 31.220 30.300 -0.053 0.000 0.972 693 R HN 0.050 nan 8.270 nan 0.000 0.493 694 G N 0.315 109.104 108.800 -0.018 0.000 2.340 694 G HA2 0.239 4.201 3.960 0.002 0.000 0.299 694 G HA3 0.239 4.201 3.960 0.002 0.000 0.299 694 G C -2.022 172.897 174.900 0.032 0.000 1.291 694 G CA -0.854 44.250 45.100 0.008 0.000 0.841 694 G HN 0.103 nan 8.290 nan 0.000 0.500 695 Q N -1.157 118.674 119.800 0.051 0.000 2.340 695 Q HA 0.733 5.074 4.340 0.002 0.000 0.276 695 Q C -0.916 175.118 176.000 0.057 0.000 1.048 695 Q CA -1.068 54.776 55.803 0.068 0.000 0.832 695 Q CB 2.579 31.353 28.738 0.060 0.000 1.373 695 Q HN 1.268 nan 8.270 nan 0.000 0.409 696 I N -1.278 119.315 120.570 0.037 0.000 2.994 696 I HA 0.642 4.813 4.170 0.002 0.000 0.306 696 I C -1.492 174.596 176.117 -0.047 0.000 1.195 696 I CA -1.596 59.718 61.300 0.023 0.000 1.001 696 I CB 2.017 40.043 38.000 0.043 0.000 1.244 696 I HN 0.614 nan 8.210 nan 0.000 0.437 697 L N 2.711 123.876 121.223 -0.096 0.000 2.322 697 L HA 0.719 5.060 4.340 0.002 0.000 0.279 697 L C 0.040 176.776 176.870 -0.224 0.000 1.036 697 L CA -0.371 54.325 54.840 -0.241 0.000 0.807 697 L CB 1.965 43.785 42.059 -0.399 0.000 1.226 697 L HN 0.909 nan 8.230 nan 0.000 0.433 698 T N -1.166 113.230 114.554 -0.262 0.000 2.812 698 T HA 0.714 5.065 4.350 0.002 0.000 0.294 698 T C -0.351 174.231 174.700 -0.197 0.000 1.159 698 T CA -0.761 61.228 62.100 -0.184 0.000 1.008 698 T CB 1.949 70.758 68.868 -0.097 0.000 1.289 698 T HN 0.657 nan 8.240 nan 0.000 0.514 699 G N 0.189 108.949 108.800 -0.067 0.000 2.470 699 G HA2 0.591 4.552 3.960 0.002 0.000 0.320 699 G HA3 0.591 4.552 3.960 0.002 0.000 0.320 699 G C -0.909 173.988 174.900 -0.005 0.000 1.245 699 G CA -0.716 44.375 45.100 -0.015 0.000 0.935 699 G HN 0.809 nan 8.290 nan 0.000 0.476 700 V N 1.870 121.783 119.914 -0.002 0.000 2.539 700 V HA 0.416 4.537 4.120 0.002 0.000 0.292 700 V C 0.089 176.186 176.094 0.006 0.000 1.045 700 V CA -0.609 61.691 62.300 -0.000 0.000 0.945 700 V CB 1.586 33.410 31.823 0.002 0.000 0.993 700 V HN 0.666 nan 8.190 nan 0.000 0.464 701 K N 3.041 123.441 120.400 -0.000 0.000 2.394 701 K HA 0.558 4.879 4.320 0.002 0.000 0.260 701 K C -1.159 175.438 176.600 -0.006 0.000 0.967 701 K CA -0.599 55.687 56.287 -0.001 0.000 0.855 701 K CB 2.049 34.548 32.500 -0.003 0.000 1.101 701 K HN 0.447 nan 8.250 nan 0.000 0.433 702 V N 3.572 123.481 119.914 -0.008 0.000 2.455 702 V HA 0.254 4.375 4.120 0.002 0.000 0.273 702 V C -0.151 175.923 176.094 -0.034 0.000 1.045 702 V CA 0.034 62.324 62.300 -0.017 0.000 0.976 702 V CB 0.711 32.524 31.823 -0.017 0.000 0.993 702 V HN 0.881 nan 8.190 nan 0.000 0.475 703 T N 1.728 116.253 114.554 -0.048 0.000 2.885 703 T HA 0.286 4.637 4.350 0.002 0.000 0.322 703 T C -0.205 174.432 174.700 -0.105 0.000 1.387 703 T CA -0.695 61.368 62.100 -0.061 0.000 1.041 703 T CB 1.735 70.588 68.868 -0.025 0.000 1.287 703 T HN 0.706 nan 8.240 nan 0.000 0.491 704 D N 0.256 120.581 120.400 -0.126 0.000 2.336 704 D HA 0.306 4.948 4.640 0.002 0.000 0.228 704 D C 1.579 177.897 176.300 0.029 0.000 1.120 704 D CA -0.196 53.721 54.000 -0.140 0.000 0.839 704 D CB -0.228 40.468 40.800 -0.174 0.000 0.932 704 D HN 0.589 nan 8.370 nan 0.000 0.509 705 A N 0.285 123.129 122.820 0.040 0.000 2.066 705 A HA 0.154 4.475 4.320 0.002 0.000 0.218 705 A C 1.147 178.808 177.584 0.127 0.000 1.157 705 A CA 0.708 52.797 52.037 0.086 0.000 0.670 705 A CB -0.416 18.618 19.000 0.057 0.000 0.804 705 A HN 0.317 nan 8.150 nan 0.000 0.453 706 V N -1.012 118.976 119.914 0.123 0.000 2.481 706 V HA 0.569 4.690 4.120 0.002 0.000 0.286 706 V C 0.146 176.361 176.094 0.200 0.000 1.042 706 V CA -1.059 61.327 62.300 0.142 0.000 0.928 706 V CB 0.715 32.605 31.823 0.112 0.000 0.986 706 V HN 0.521 nan 8.190 nan 0.000 0.462 707 M N 1.591 121.273 119.600 0.138 0.000 2.232 707 M HA 0.440 4.921 4.480 0.002 0.000 0.321 707 M C 0.150 176.438 176.300 -0.019 0.000 1.101 707 M CA -0.310 55.035 55.300 0.075 0.000 1.181 707 M CB 0.101 32.704 32.600 0.004 0.000 1.432 707 M HN 0.711 nan 8.290 nan 0.000 0.457 708 K N 1.249 121.485 120.400 -0.274 0.000 2.489 708 K HA 0.251 4.572 4.320 0.002 0.000 0.278 708 K C 0.918 177.426 176.600 -0.154 0.000 1.000 708 K CA 1.665 57.689 56.287 -0.438 0.000 1.012 708 K CB 0.006 32.204 32.500 -0.503 0.000 0.903 708 K HN 0.944 nan 8.250 nan 0.000 0.485 709 G N 1.530 110.282 108.800 -0.081 0.000 2.175 709 G HA2 -0.209 3.752 3.960 0.002 0.000 0.244 709 G HA3 -0.209 3.752 3.960 0.002 0.000 0.244 709 G C -0.471 174.457 174.900 0.046 0.000 0.982 709 G CA 0.050 45.144 45.100 -0.010 0.000 0.641 709 G HN 0.542 nan 8.290 nan 0.000 0.527 710 V N 2.189 122.135 119.914 0.053 0.000 2.588 710 V HA 0.736 4.858 4.120 0.002 0.000 0.304 710 V C 0.405 176.553 176.094 0.090 0.000 1.042 710 V CA -0.526 61.835 62.300 0.102 0.000 0.877 710 V CB 1.826 33.713 31.823 0.107 0.000 0.996 710 V HN 0.687 nan 8.190 nan 0.000 0.425 711 I N 1.376 121.995 120.570 0.081 0.000 2.603 711 I HA 0.699 4.871 4.170 0.002 0.000 0.300 711 I C -0.558 175.580 176.117 0.035 0.000 1.017 711 I CA -0.714 60.613 61.300 0.046 0.000 1.098 711 I CB 1.924 39.935 38.000 0.017 0.000 1.279 711 I HN 0.653 nan 8.210 nan 0.000 0.437 712 Q N 5.383 125.177 119.800 -0.011 0.000 2.368 712 Q HA 0.613 4.955 4.340 0.002 0.000 0.263 712 Q C -1.642 174.278 176.000 -0.133 0.000 1.009 712 Q CA -0.599 55.166 55.803 -0.063 0.000 0.818 712 Q CB 1.553 30.213 28.738 -0.129 0.000 1.239 712 Q HN 0.775 nan 8.270 nan 0.000 0.464 713 I N 4.559 125.082 120.570 -0.078 0.000 2.448 713 I HA 0.241 4.412 4.170 0.002 0.000 0.281 713 I C -0.994 175.154 176.117 0.052 0.000 1.027 713 I CA -0.881 60.385 61.300 -0.056 0.000 1.111 713 I CB 0.787 38.779 38.000 -0.012 0.000 1.236 713 I HN 0.543 nan 8.210 nan 0.000 0.452 714 Y N 3.805 124.146 120.300 0.069 0.000 2.480 714 Y HA 0.106 4.658 4.550 0.002 0.000 0.338 714 Y C 1.010 176.966 175.900 0.094 0.000 1.220 714 Y CA -0.874 57.279 58.100 0.087 0.000 1.430 714 Y CB 0.398 38.895 38.460 0.062 0.000 1.311 714 Y HN 0.571 nan 8.280 nan 0.000 0.575 715 E N -0.097 120.264 120.200 0.267 0.000 2.408 715 E HA 0.438 4.789 4.350 0.002 0.000 0.259 715 E C 0.990 177.701 176.600 0.185 0.000 1.110 715 E CA 0.217 56.724 56.400 0.178 0.000 0.929 715 E CB 0.269 30.036 29.700 0.112 0.000 0.971 715 E HN 0.767 nan 8.360 nan 0.000 0.438 716 G N 0.429 109.354 108.800 0.208 0.000 2.184 716 G HA2 -0.155 3.806 3.960 0.002 0.000 0.206 716 G HA3 -0.155 3.806 3.960 0.002 0.000 0.206 716 G C 0.436 175.569 174.900 0.388 0.000 0.995 716 G CA -0.343 44.919 45.100 0.271 0.000 0.651 716 G HN 0.933 nan 8.290 nan 0.000 0.511 717 G N -0.541 108.511 108.800 0.419 0.000 2.432 717 G HA2 0.387 4.348 3.960 0.002 0.000 0.257 717 G HA3 0.387 4.348 3.960 0.002 0.000 0.257 717 G C 0.065 175.359 174.900 0.657 0.000 1.238 717 G CA -0.482 44.990 45.100 0.620 0.000 0.838 717 G HN 0.262 nan 8.290 nan 0.000 0.547 718 W N 2.308 123.755 121.300 0.245 0.000 2.666 718 W HA 0.197 4.858 4.660 0.002 0.000 0.365 718 W C 0.315 176.918 176.519 0.140 0.000 1.224 718 W CA -1.392 56.006 57.345 0.089 0.000 1.515 718 W CB -0.894 28.483 29.460 -0.139 0.000 1.562 718 W HN 0.458 nan 8.180 nan 0.000 0.455 719 Y N 3.710 124.159 120.300 0.250 0.000 2.954 719 Y HA -0.139 4.412 4.550 0.002 0.000 0.351 719 Y C 0.306 176.273 175.900 0.111 0.000 1.282 719 Y CA 0.810 59.011 58.100 0.169 0.000 1.614 719 Y CB 0.123 38.639 38.460 0.095 0.000 1.183 719 Y HN 0.337 nan 8.280 nan 0.000 0.566 720 D N 9.126 129.419 120.400 -0.179 0.000 2.400 720 D HA 0.296 4.938 4.640 0.002 0.000 0.272 720 D C -3.000 173.084 176.300 -0.359 0.000 1.220 720 D CA -2.122 51.719 54.000 -0.265 0.000 0.897 720 D CB 0.704 41.453 40.800 -0.085 0.000 1.134 720 D HN 0.254 nan 8.370 nan 0.000 0.507 721 P HA 0.056 nan 4.420 nan 0.000 0.268 721 P C 0.590 177.779 177.300 -0.185 0.000 1.204 721 P CA -0.156 62.690 63.100 -0.423 0.000 0.768 721 P CB 1.593 33.029 31.700 -0.439 0.000 0.842 722 S N 0.930 116.575 115.700 -0.091 0.000 2.368 722 S HA -0.090 4.382 4.470 0.002 0.000 0.224 722 S C 0.742 175.311 174.600 -0.051 0.000 1.029 722 S CA 1.334 59.503 58.200 -0.052 0.000 0.988 722 S CB -0.273 62.919 63.200 -0.014 0.000 0.838 722 S HN 0.625 nan 8.310 nan 0.000 0.462 723 D N 0.512 120.889 120.400 -0.038 0.000 2.478 723 D HA 0.217 4.858 4.640 0.002 0.000 0.240 723 D C 0.754 177.045 176.300 -0.015 0.000 1.364 723 D CA -0.309 53.672 54.000 -0.031 0.000 0.987 723 D CB 1.633 42.425 40.800 -0.013 0.000 1.328 723 D HN 0.036 nan 8.370 nan 0.000 0.584 724 V N 2.035 121.931 119.914 -0.030 0.000 2.720 724 V HA -0.129 3.992 4.120 0.002 0.000 0.256 724 V C 1.820 177.932 176.094 0.030 0.000 1.082 724 V CA 2.223 64.531 62.300 0.014 0.000 1.101 724 V CB -1.414 30.397 31.823 -0.021 0.000 0.693 724 V HN 0.648 nan 8.190 nan 0.000 0.479 725 T N -1.565 112.993 114.554 0.007 0.000 3.118 725 T HA 0.030 4.381 4.350 0.002 0.000 0.260 725 T C 0.729 175.443 174.700 0.024 0.000 1.139 725 T CA 0.690 62.798 62.100 0.015 0.000 1.085 725 T CB -0.371 68.497 68.868 0.000 0.000 0.934 725 T HN 0.788 nan 8.240 nan 0.000 0.518 726 E N 2.972 123.188 120.200 0.027 0.000 2.109 726 E HA 0.305 4.656 4.350 0.002 0.000 0.278 726 E C -2.615 174.012 176.600 0.045 0.000 0.954 726 E CA -3.038 53.381 56.400 0.030 0.000 0.779 726 E CB 1.188 30.902 29.700 0.023 0.000 1.093 726 E HN 0.153 nan 8.360 nan 0.000 0.401 727 P HA 0.053 nan 4.420 nan 0.000 0.264 727 P C 0.572 177.900 177.300 0.047 0.000 1.193 727 P CA 0.793 63.921 63.100 0.047 0.000 0.763 727 P CB 0.740 32.462 31.700 0.037 0.000 0.810 728 G N 1.532 110.365 108.800 0.056 0.000 2.155 728 G HA2 -0.264 3.697 3.960 0.002 0.000 0.257 728 G HA3 -0.264 3.697 3.960 0.002 0.000 0.257 728 G C 0.497 175.435 174.900 0.064 0.000 0.983 728 G CA 0.380 45.513 45.100 0.055 0.000 0.676 728 G HN 0.809 nan 8.290 nan 0.000 0.528 729 T N 0.030 114.629 114.554 0.074 0.000 2.939 729 T HA 0.277 4.628 4.350 0.002 0.000 0.319 729 T C 0.807 175.553 174.700 0.077 0.000 1.082 729 T CA 0.212 62.351 62.100 0.064 0.000 1.133 729 T CB 0.243 69.143 68.868 0.054 0.000 1.019 729 T HN 0.990 nan 8.240 nan 0.000 0.548 730 L N 4.734 125.987 121.223 0.050 0.000 2.462 730 L HA 0.271 4.612 4.340 0.002 0.000 0.272 730 L C 0.110 177.007 176.870 0.044 0.000 1.166 730 L CA -0.037 54.829 54.840 0.044 0.000 0.880 730 L CB 0.540 42.610 42.059 0.018 0.000 1.142 730 L HN 0.619 nan 8.230 nan 0.000 0.473 731 D N 3.687 124.140 120.400 0.088 0.000 2.295 731 D HA 0.117 4.758 4.640 0.002 0.000 0.248 731 D C 0.588 176.930 176.300 0.070 0.000 1.154 731 D CA 0.030 54.088 54.000 0.098 0.000 0.857 731 D CB 0.975 41.933 40.800 0.264 0.000 1.117 731 D HN 0.594 nan 8.370 nan 0.000 0.468 732 K N 2.908 123.343 120.400 0.059 0.000 2.365 732 K HA -0.118 4.203 4.320 0.002 0.000 0.199 732 K C 0.822 177.575 176.600 0.255 0.000 1.045 732 K CA 0.625 56.978 56.287 0.109 0.000 0.962 732 K CB 0.188 32.737 32.500 0.082 0.000 0.759 732 K HN 0.529 nan 8.250 nan 0.000 0.469 733 Y N -0.015 120.379 120.300 0.156 0.000 2.382 733 Y HA 0.203 4.755 4.550 0.002 0.000 0.292 733 Y C 0.757 176.814 175.900 0.261 0.000 1.151 733 Y CA 0.903 59.143 58.100 0.234 0.000 1.198 733 Y CB 1.291 39.878 38.460 0.211 0.000 1.195 733 Y HN -0.011 nan 8.280 nan 0.000 0.530 734 G N 1.602 110.487 108.800 0.142 0.000 2.465 734 G HA2 -0.073 3.889 3.960 0.002 0.000 0.230 734 G HA3 -0.073 3.889 3.960 0.002 0.000 0.230 734 G C -1.678 173.353 174.900 0.217 0.000 1.324 734 G CA -0.263 44.859 45.100 0.037 0.000 0.878 734 G HN 0.279 nan 8.290 nan 0.000 0.497 735 D N 0.827 121.403 120.400 0.292 0.000 2.365 735 D HA 0.310 4.951 4.640 0.002 0.000 0.237 735 D C 1.416 177.792 176.300 0.126 0.000 1.190 735 D CA -0.094 54.058 54.000 0.253 0.000 0.867 735 D CB 1.545 42.506 40.800 0.268 0.000 1.050 735 D HN 0.130 nan 8.370 nan 0.000 0.491 736 V N 4.780 124.757 119.914 0.104 0.000 2.720 736 V HA -0.170 3.951 4.120 0.002 0.000 0.256 736 V C 1.431 177.525 176.094 0.001 0.000 1.082 736 V CA 1.336 63.664 62.300 0.046 0.000 1.101 736 V CB -0.462 31.397 31.823 0.060 0.000 0.693 736 V HN 0.531 nan 8.190 nan 0.000 0.479 737 N N -0.273 118.419 118.700 -0.014 0.000 2.521 737 N HA -0.006 4.735 4.740 0.002 0.000 0.188 737 N C 1.398 176.828 175.510 -0.133 0.000 1.146 737 N CA 0.788 53.789 53.050 -0.081 0.000 0.893 737 N CB 0.458 38.883 38.487 -0.102 0.000 0.975 737 N HN 0.424 nan 8.380 nan 0.000 0.451 738 V N 0.421 120.273 119.914 -0.104 0.000 2.809 738 V HA -0.056 4.065 4.120 0.002 0.000 0.256 738 V C 1.894 177.939 176.094 -0.082 0.000 1.080 738 V CA 1.033 63.268 62.300 -0.109 0.000 1.102 738 V CB -0.118 31.691 31.823 -0.023 0.000 0.705 738 V HN 0.273 nan 8.190 nan 0.000 0.475 739 L N -0.288 120.889 121.223 -0.077 0.000 2.590 739 L HA 0.193 4.535 4.340 0.002 0.000 0.227 739 L C 1.261 178.069 176.870 -0.104 0.000 1.099 739 L CA 0.037 54.822 54.840 -0.092 0.000 0.872 739 L CB -0.041 41.960 42.059 -0.097 0.000 1.088 739 L HN 0.375 nan 8.230 nan 0.000 0.479 740 S N 0.328 115.967 115.700 -0.102 0.000 2.632 740 S HA 0.669 5.141 4.470 0.002 0.000 0.267 740 S C 0.049 174.580 174.600 -0.115 0.000 1.276 740 S CA -0.643 57.495 58.200 -0.103 0.000 0.998 740 S CB 1.933 65.078 63.200 -0.092 0.000 0.953 740 S HN 0.110 nan 8.310 nan 0.000 0.547 741 A N 0.323 123.077 122.820 -0.111 0.000 2.295 741 A HA 0.578 4.899 4.320 0.002 0.000 0.318 741 A C -0.415 177.082 177.584 -0.144 0.000 1.134 741 A CA -0.636 51.331 52.037 -0.118 0.000 0.827 741 A CB 0.585 19.520 19.000 -0.110 0.000 1.136 741 A HN 0.828 nan 8.150 nan 0.000 0.493 742 D N 1.290 121.604 120.400 -0.143 0.000 2.493 742 D HA 0.490 5.131 4.640 0.002 0.000 0.235 742 D C -0.513 175.722 176.300 -0.108 0.000 1.117 742 D CA -0.031 53.879 54.000 -0.150 0.000 0.930 742 D CB -0.304 40.413 40.800 -0.138 0.000 1.010 742 D HN 0.515 nan 8.370 nan 0.000 0.514 743 I N -1.125 119.373 120.570 -0.121 0.000 2.969 743 I HA 0.799 4.971 4.170 0.002 0.000 0.307 743 I C 0.334 176.391 176.117 -0.098 0.000 1.149 743 I CA -1.469 59.758 61.300 -0.122 0.000 1.008 743 I CB 2.036 39.912 38.000 -0.207 0.000 1.232 743 I HN 0.152 nan 8.210 nan 0.000 0.435 744 G N 1.011 109.772 108.800 -0.064 0.000 2.476 744 G HA2 0.396 4.357 3.960 0.002 0.000 0.269 744 G HA3 0.396 4.357 3.960 0.002 0.000 0.269 744 G C 0.900 175.818 174.900 0.029 0.000 1.195 744 G CA 0.170 45.256 45.100 -0.023 0.000 0.843 744 G HN 0.928 nan 8.290 nan 0.000 0.545 745 T N -1.704 112.880 114.554 0.049 0.000 2.720 745 T HA 0.027 4.378 4.350 0.002 0.000 0.268 745 T C 1.280 176.038 174.700 0.096 0.000 1.037 745 T CA 1.558 63.714 62.100 0.093 0.000 1.144 745 T CB -0.381 68.527 68.868 0.067 0.000 0.864 745 T HN 1.563 nan 8.240 nan 0.000 0.444 746 S N -0.856 114.888 115.700 0.073 0.000 2.669 746 S HA 0.391 4.863 4.470 0.002 0.000 0.266 746 S C -0.087 174.502 174.600 -0.018 0.000 1.149 746 S CA -0.960 57.273 58.200 0.054 0.000 0.842 746 S CB 1.124 64.371 63.200 0.078 0.000 1.160 746 S HN 0.106 nan 8.310 nan 0.000 0.487 747 K N -0.222 120.083 120.400 -0.158 0.000 2.366 747 K HA 0.142 4.463 4.320 0.002 0.000 0.198 747 K C 1.713 178.088 176.600 -0.375 0.000 1.044 747 K CA 0.805 56.843 56.287 -0.415 0.000 0.973 747 K CB -0.418 31.479 32.500 -1.005 0.000 0.767 747 K HN 0.433 nan 8.250 nan 0.000 0.475 748 L N 0.601 121.758 121.223 -0.110 0.000 1.988 748 L HA -0.141 4.200 4.340 0.002 0.000 0.207 748 L C 2.001 178.922 176.870 0.086 0.000 1.071 748 L CA 1.991 56.875 54.840 0.073 0.000 0.744 748 L CB -0.215 41.899 42.059 0.092 0.000 0.893 748 L HN 0.080 nan 8.230 nan 0.000 0.433 749 A N -3.317 119.594 122.820 0.153 0.000 2.167 749 A HA 0.139 4.461 4.320 0.002 0.000 0.208 749 A C 0.708 178.507 177.584 0.359 0.000 1.198 749 A CA 0.122 52.338 52.037 0.299 0.000 0.863 749 A CB 0.220 19.311 19.000 0.151 0.000 0.904 749 A HN 0.478 nan 8.150 nan 0.000 0.484 750 Q N -0.673 119.239 119.800 0.186 0.000 2.468 750 Q HA -0.169 4.172 4.340 0.002 0.000 0.289 750 Q C 0.494 176.481 176.000 -0.022 0.000 1.299 750 Q CA 0.884 56.725 55.803 0.064 0.000 0.838 750 Q CB -2.421 26.332 28.738 0.026 0.000 1.195 750 Q HN 0.790 nan 8.270 nan 0.000 0.456 751 G N 0.973 109.771 108.800 -0.003 0.000 2.562 751 G HA2 0.365 4.326 3.960 0.002 0.000 0.275 751 G HA3 0.365 4.326 3.960 0.002 0.000 0.275 751 G C 0.312 175.159 174.900 -0.087 0.000 1.196 751 G CA -0.035 45.026 45.100 -0.064 0.000 0.908 751 G HN 0.471 nan 8.290 nan 0.000 0.524 752 N N -2.293 116.323 118.700 -0.139 0.000 2.503 752 N HA 0.254 4.995 4.740 0.002 0.000 0.267 752 N C -0.284 175.221 175.510 -0.007 0.000 1.214 752 N CA -0.526 52.470 53.050 -0.091 0.000 0.959 752 N CB 1.360 39.799 38.487 -0.081 0.000 1.142 752 N HN 0.209 nan 8.380 nan 0.000 0.455 753 C N 2.106 121.401 119.300 -0.008 0.000 2.641 753 C HA 0.457 4.918 4.460 0.002 0.000 0.294 753 C C 1.748 176.757 174.990 0.030 0.000 1.496 753 C CA -0.743 58.287 59.018 0.021 0.000 1.672 753 C CB -0.973 26.753 27.740 -0.023 0.000 2.763 753 C HN 0.999 nan 8.230 nan 0.000 0.545 754 G N 0.240 109.080 108.800 0.068 0.000 2.625 754 G HA2 -0.134 3.827 3.960 0.002 0.000 0.214 754 G HA3 -0.134 3.827 3.960 0.002 0.000 0.214 754 G C 1.252 176.205 174.900 0.090 0.000 1.132 754 G CA 0.619 45.761 45.100 0.071 0.000 0.782 754 G HN 0.700 nan 8.290 nan 0.000 0.538 755 Q N -0.270 119.605 119.800 0.126 0.000 2.155 755 Q HA 0.098 4.439 4.340 0.002 0.000 0.220 755 Q C -0.199 175.908 176.000 0.178 0.000 0.819 755 Q CA -0.042 55.858 55.803 0.162 0.000 1.032 755 Q CB 0.937 29.819 28.738 0.240 0.000 1.151 755 Q HN 0.153 nan 8.270 nan 0.000 0.487 756 T N 1.399 116.019 114.554 0.110 0.000 3.145 756 T HA 0.354 4.705 4.350 0.002 0.000 0.348 756 T C -0.703 173.994 174.700 -0.004 0.000 1.299 756 T CA -0.025 62.149 62.100 0.124 0.000 1.037 756 T CB 0.359 69.280 68.868 0.088 0.000 1.122 756 T HN -0.136 nan 8.240 nan 0.000 0.600 757 V N 5.001 124.822 119.914 -0.154 0.000 2.655 757 V HA 0.476 4.598 4.120 0.002 0.000 0.301 757 V C -0.521 175.417 176.094 -0.260 0.000 1.082 757 V CA -0.907 61.272 62.300 -0.201 0.000 0.899 757 V CB 1.881 33.578 31.823 -0.211 0.000 1.014 757 V HN 0.636 nan 8.190 nan 0.000 0.429 758 L N 3.646 124.804 121.223 -0.110 0.000 2.333 758 L HA 1.043 5.384 4.340 0.002 0.000 0.269 758 L C 0.190 176.982 176.870 -0.129 0.000 1.010 758 L CA -0.510 54.299 54.840 -0.052 0.000 0.818 758 L CB 2.085 44.200 42.059 0.093 0.000 1.306 758 L HN 0.831 nan 8.230 nan 0.000 0.430 759 A N 1.410 124.152 122.820 -0.131 0.000 2.581 759 A HA 0.711 5.032 4.320 0.002 0.000 0.290 759 A C -1.700 175.778 177.584 -0.177 0.000 1.119 759 A CA -0.456 51.388 52.037 -0.322 0.000 0.670 759 A CB 1.999 20.815 19.000 -0.307 0.000 1.280 759 A HN 0.569 nan 8.150 nan 0.000 0.425 760 E N -0.465 119.533 120.200 -0.337 0.000 2.221 760 E HA 0.679 5.031 4.350 0.002 0.000 0.268 760 E C -1.473 174.970 176.600 -0.262 0.000 0.933 760 E CA -0.389 55.885 56.400 -0.209 0.000 0.809 760 E CB 1.823 31.426 29.700 -0.162 0.000 1.190 760 E HN 0.619 nan 8.360 nan 0.000 0.406 761 V N 3.577 123.450 119.914 -0.069 0.000 2.656 761 V HA 0.519 4.640 4.120 0.002 0.000 0.307 761 V C -0.716 175.431 176.094 0.089 0.000 1.051 761 V CA -0.740 61.565 62.300 0.009 0.000 0.893 761 V CB 1.621 33.450 31.823 0.010 0.000 0.999 761 V HN 0.801 nan 8.190 nan 0.000 0.426 762 E N 2.777 123.060 120.200 0.139 0.000 2.356 762 E HA 0.476 4.827 4.350 0.002 0.000 0.275 762 E C -0.981 175.686 176.600 0.111 0.000 0.904 762 E CA -1.103 55.375 56.400 0.130 0.000 0.757 762 E CB 2.419 32.218 29.700 0.166 0.000 1.232 762 E HN 0.505 nan 8.360 nan 0.000 0.442 763 K N 2.409 122.859 120.400 0.083 0.000 2.484 763 K HA -0.068 4.253 4.320 0.002 0.000 0.280 763 K C -1.168 175.498 176.600 0.110 0.000 1.013 763 K CA -0.093 56.242 56.287 0.079 0.000 1.029 763 K CB 0.257 32.785 32.500 0.048 0.000 0.902 763 K HN 0.554 nan 8.250 nan 0.000 0.481 764 Y N 3.832 124.127 120.300 -0.009 0.000 2.365 764 Y HA 0.090 4.642 4.550 0.002 0.000 0.340 764 Y C 0.442 176.337 175.900 -0.009 0.000 1.016 764 Y CA 0.166 58.257 58.100 -0.015 0.000 1.196 764 Y CB 1.036 39.472 38.460 -0.038 0.000 1.167 764 Y HN 0.704 nan 8.280 nan 0.000 0.509 765 T N 1.639 115.883 114.554 -0.516 0.000 3.231 765 T HA 0.395 4.746 4.350 0.002 0.000 0.292 765 T C 0.706 175.049 174.700 -0.594 0.000 1.001 765 T CA -0.015 61.840 62.100 -0.409 0.000 0.920 765 T CB -0.312 68.441 68.868 -0.191 0.000 1.140 765 T HN 0.752 nan 8.240 nan 0.000 0.525 766 G N 2.679 110.695 108.800 -1.306 0.000 2.553 766 G HA2 0.566 4.528 3.960 0.002 0.000 0.278 766 G HA3 0.566 4.528 3.960 0.002 0.000 0.278 766 G C -2.284 172.402 174.900 -0.357 0.000 1.349 766 G CA -1.308 43.308 45.100 -0.807 0.000 1.037 766 G HN 0.281 nan 8.290 nan 0.000 0.508 767 P HA 0.340 nan 4.420 nan 0.000 0.271 767 P C -0.135 177.279 177.300 0.191 0.000 1.218 767 P CA -0.155 62.978 63.100 0.054 0.000 0.780 767 P CB 0.744 32.479 31.700 0.059 0.000 0.901 768 A N 2.743 125.652 122.820 0.148 0.000 2.511 768 A HA 0.249 4.570 4.320 0.002 0.000 0.242 768 A C 0.201 177.873 177.584 0.147 0.000 1.069 768 A CA -0.122 52.018 52.037 0.172 0.000 0.763 768 A CB -0.103 18.963 19.000 0.110 0.000 1.001 768 A HN 0.444 nan 8.150 nan 0.000 0.498 769 V N 2.172 122.177 119.914 0.152 0.000 2.850 769 V HA 0.549 4.670 4.120 0.002 0.000 0.315 769 V C 0.376 176.517 176.094 0.077 0.000 1.064 769 V CA -0.272 62.092 62.300 0.106 0.000 0.979 769 V CB 2.290 34.176 31.823 0.106 0.000 1.039 769 V HN 0.971 nan 8.190 nan 0.000 0.452 770 T N 6.039 120.621 114.554 0.048 0.000 2.758 770 T HA 0.479 4.830 4.350 0.002 0.000 0.285 770 T C -0.260 174.454 174.700 0.024 0.000 0.981 770 T CA -0.258 61.861 62.100 0.031 0.000 0.965 770 T CB 0.673 69.552 68.868 0.017 0.000 0.927 770 T HN 0.407 nan 8.240 nan 0.000 0.448 771 L N 4.010 125.251 121.223 0.030 0.000 2.418 771 L HA 0.206 4.547 4.340 0.002 0.000 0.274 771 L C 1.511 178.385 176.870 0.007 0.000 1.135 771 L CA -0.095 54.769 54.840 0.040 0.000 0.870 771 L CB 0.394 42.513 42.059 0.101 0.000 1.154 771 L HN 0.855 nan 8.230 nan 0.000 0.462 772 T N -2.493 112.030 114.554 -0.051 0.000 3.044 772 T HA 0.083 4.435 4.350 0.002 0.000 0.260 772 T C 1.422 176.025 174.700 -0.162 0.000 1.019 772 T CA 0.279 62.327 62.100 -0.087 0.000 0.921 772 T CB 0.611 69.421 68.868 -0.096 0.000 1.053 772 T HN 0.664 nan 8.240 nan 0.000 0.533 773 G N 0.566 109.185 108.800 -0.303 0.000 2.880 773 G HA2 0.197 4.159 3.960 0.002 0.000 0.209 773 G HA3 0.197 4.159 3.960 0.002 0.000 0.209 773 G C 0.418 175.000 174.900 -0.530 0.000 1.157 773 G CA -0.136 44.684 45.100 -0.467 0.000 0.779 773 G HN 0.519 nan 8.290 nan 0.000 0.539 774 F N 0.726 120.720 119.950 0.073 0.000 2.647 774 F HA 0.354 4.882 4.527 0.002 0.000 0.300 774 F C 0.513 176.346 175.800 0.056 0.000 1.106 774 F CA -1.152 56.890 58.000 0.071 0.000 1.313 774 F CB 0.377 39.346 39.000 -0.053 0.000 1.007 774 F HN -0.006 nan 8.300 nan 0.000 0.536 775 V N -2.304 117.669 119.914 0.098 0.000 3.001 775 V HA 0.946 5.067 4.120 0.002 0.000 0.314 775 V C 0.092 176.148 176.094 -0.063 0.000 1.099 775 V CA -1.702 60.623 62.300 0.041 0.000 0.989 775 V CB 1.048 32.872 31.823 0.002 0.000 1.040 775 V HN -0.002 nan 8.190 nan 0.000 0.434 776 A N 2.547 125.295 122.820 -0.120 0.000 2.313 776 A HA 0.806 5.127 4.320 0.002 0.000 0.261 776 A C -2.349 174.959 177.584 -0.461 0.000 1.090 776 A CA -1.426 50.357 52.037 -0.423 0.000 0.807 776 A CB -0.602 18.211 19.000 -0.311 0.000 1.055 776 A HN 0.855 nan 8.150 nan 0.000 0.492 777 P HA 0.154 nan 4.420 nan 0.000 0.268 777 P C 0.344 177.477 177.300 -0.277 0.000 1.204 777 P CA -0.158 62.667 63.100 -0.458 0.000 0.768 777 P CB 0.589 31.973 31.700 -0.527 0.000 0.842 778 K N 3.648 123.953 120.400 -0.159 0.000 2.089 778 K HA -0.213 4.109 4.320 0.002 0.000 0.210 778 K C 1.860 178.426 176.600 -0.056 0.000 1.048 778 K CA 2.160 58.392 56.287 -0.091 0.000 0.926 778 K CB -0.977 31.483 32.500 -0.067 0.000 0.714 778 K HN 0.506 nan 8.250 nan 0.000 0.448 779 A N -0.501 122.294 122.820 -0.042 0.000 2.172 779 A HA 0.060 4.381 4.320 0.002 0.000 0.216 779 A C 1.904 179.505 177.584 0.027 0.000 1.154 779 A CA 1.565 53.599 52.037 -0.005 0.000 0.701 779 A CB -0.439 18.575 19.000 0.023 0.000 0.789 779 A HN 0.352 nan 8.150 nan 0.000 0.465 780 A N -0.852 121.973 122.820 0.008 0.000 2.348 780 A HA 0.325 4.647 4.320 0.002 0.000 0.224 780 A C 0.797 178.461 177.584 0.133 0.000 1.227 780 A CA 0.152 52.269 52.037 0.132 0.000 0.885 780 A CB -0.111 18.930 19.000 0.068 0.000 0.933 780 A HN 0.594 nan 8.150 nan 0.000 0.506 781 E N 0.000 120.233 120.200 0.055 0.000 2.725 781 E HA 0.000 4.351 4.350 0.002 0.000 0.291 781 E CA 0.000 56.417 56.400 0.028 0.000 0.976 781 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440